A0A3Q0KK22_SCHMA Loading...

Putative dnaj homolog subfamily B member 4

AlphaFold DB , UniProt , Accession A0A3Q0KK22, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 313 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
1M56.4Low87.3Confident231 Ų23164.7 Ų64.7100%1.13835%0.345SS*.  0115.70-73.8-149.9-84.300106.2
2G78.6Confident87.6Confident41 Ų4165 Ų6542%0.42335%0.353SS..  trans-70.3163.3179.400000113.5E70G2-E70 WeakPolarHBondContact CA-OE2 3.48Å
3L85.6Confident87.8Confident82 Ų8273.3 Ų73.343%0.42938%0.376SS..  trans-63.6130.6170.9-66.4171.2000110Y5 L8 Y65 E70L3-Y5 PolarHBondContact O-N 3.27Å; L3-L8 HydrophobicContact CB-CD1 4.18Å; L3-Y65 PolarHBondContact O-OH 3.17Å; L3-E70 PolarHBondContact N-OE2 2.91Å
4D92Very high87.9Confident29 Ų2975.7 Ų75.716%0.15540%0.402CS..  trans-87.2100.3170-166.5-17.3000110.1Y6 Q7 L8 R13 Y65D4-Y6 PolarHBondContact O-N 3.39Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.42Å; D4-Y6 PolarHBondContact OD1-N 3.43Å; D4-Y6 VanDerWaalsContact OD1-N 3.07Å; D4-Q7 HydrophobicContact CB-CB 4.02Å; D4-Q7 HydrophobicContact CB-CG 3.9Å; D4-Q7 PolarHBondContact O-N 2.94Å; D4-L8 PolarHBondContact O-N 2.95Å; D4-R13 IonicContact OD2-CZ 2.7Å; D4-R13 IonicContact OD2-NE 2.66Å; D4-R13 IonicContact OD2-NH2 2.6Å; D4-R13 PolarHBondContact OD2-NH2 3.28Å; D4-Y65 VanDerWaalsContact CA-OH 3.31Å; D4-Y65 WeakPolarHBondContact CA-OH 3.19Å; D4-Y65 PolarHBondContact OD1-OH 3.34Å
5Y94Very high87.9Confident0 Ų070.7 Ų70.70%038%0.376CS..Hα-helixtrans-57.1-29.9179.3-63.1-44.1000113.5L3 L8 L9 E51 A52 V55 Y65 L73L3-Y5 PolarHBondContact O-N 3.27Å; Y5-L8 HydrophobicContact CD1-CD1 4.08Å; Y5-L9 PolarHBondContact O-N 3.49Å; Y5-L9 VanDerWaalsContact O-N 3.16Å; Y5-E51 HydrophobicContact CE1-CG 4.06Å; Y5-E51 PolarHBondContact OH-OE1 3.3Å; Y5-A52 HydrophobicContact CD1-CB 3.62Å; Y5-A52 HydrophobicContact CG-CB 4.04Å; Y5-V55 HydrophobicContact CD2-CB 4.04Å; Y5-V55 HydrophobicContact CD2-CG1 3.78Å; Y5-V55 HydrophobicContact CD2-CG2 4.37Å; Y5-V55 HydrophobicContact CE2-CB 3.94Å; Y5-V55 HydrophobicContact CE2-CG1 3.75Å; Y5-V55 HydrophobicContact CE2-CG2 3.77Å; Y5-Y65 HydrophobicContact CD2-CD1 4.11Å; Y5-Y65 AromaticContact CD2-CD2 3.44Å; Y5-Y65 HydrophobicContact CD2-CD2 3.44Å; Y5-Y65 VanDerWaalsContact CD2-CD2 3.44Å; Y5-Y65 AromaticContact CD2-CE1 3.86Å; Y5-Y65 HydrophobicContact CD2-CE1 3.86Å; Y5-Y65 AromaticContact CD2-CE2 3.16Å; Y5-Y65 HydrophobicContact CD2-CE2 3.16Å; Y5-Y65 AromaticContact CD2-CG 3.91Å; Y5-Y65 HydrophobicContact CD2-CG 3.91Å; Y5-Y65 AromaticContact CD2-CZ 3.4Å; Y5-Y65 AromaticContact CE2-CD2 3.53Å; Y5-Y65 HydrophobicContact CE2-CD2 3.53Å; Y5-Y65 AromaticContact CE2-CE2 3.46Å; Y5-Y65 HydrophobicContact CE2-CE2 3.46Å; Y5-Y65 VanDerWaalsContact CE2-CE2 3.46Å; Y5-Y65 HydrophobicContact CE2-CG 4.29Å; Y5-Y65 HydrophobicContact CG-CE1 4.43Å; Y5-Y65 HydrophobicContact CG-CE2 4.06Å; Y5-Y65 AromaticContact CG-CZ 3.95Å; Y5-Y65 PolarHBondContact N-OH 2.76Å; Y5-L73 HydrophobicContact CE2-CD2 3.92Å
6Y93.6Very high87.8Confident4 Ų471.5 Ų71.52%0.01638%0.38CS..Hα-helixtrans-71.2-38.8176.2-67.9-77.6000111.7D4 L9 N10 I11 R13 L56 K62 Y65 D66D4-Y6 PolarHBondContact O-N 3.39Å; D4-Y6 WeakPolarHBondContact OD1-CB 3.42Å; D4-Y6 PolarHBondContact OD1-N 3.43Å; D4-Y6 VanDerWaalsContact OD1-N 3.07Å; Y6-L9 PolarHBondContact O-N 3.28Å; Y6-N10 PolarHBondContact O-N 3.03Å; Y6-N10 VanDerWaalsContact O-N 3.1Å; Y6-I11 HydrophobicContact CD1-CD1 4.12Å; Y6-I11 HydrophobicContact CD1-CG1 4.1Å; Y6-I11 PolarHBondContact O-N 3.43Å; Y6-R13 HydrophobicContact CD1-CG 4.43Å; Y6-R13 HydrophobicContact CD2-CB 4.41Å; Y6-R13 HydrophobicContact CD2-CG 3.74Å; Y6-R13 HydrophobicContact CE2-CB 4.42Å; Y6-R13 HydrophobicContact CE2-CG 4.14Å; Y6-R13 HydrophobicContact CG-CB 4.46Å; Y6-R13 HydrophobicContact CG-CG 3.89Å; Y6-L56 HydrophobicContact CD1-CD1 4.13Å; Y6-L56 HydrophobicContact CD1-CD2 4.49Å; Y6-L56 HydrophobicContact CE1-CD1 4.22Å; Y6-L56 HydrophobicContact CE1-CD2 3.88Å; Y6-L56 HydrophobicContact CE2-CD2 3.98Å; Y6-L56 HydrophobicContact CG-CD1 4.48Å; Y6-K62 WeakPolarHBondContact OH-CE 3.35Å; Y6-Y65 AromaticContact CD2-CE1 3.79Å; Y6-Y65 HydrophobicContact CD2-CE1 3.79Å; Y6-Y65 AromaticContact CE2-CD1 3.99Å; Y6-Y65 HydrophobicContact CE2-CD1 3.99Å; Y6-Y65 AromaticContact CE2-CE1 3.6Å; Y6-Y65 HydrophobicContact CE2-CE1 3.6Å; Y6-D66 VanDerWaalsContact CE2-OD1 3.31Å; Y6-D66 WeakPolarHBondContact CE2-OD1 3.31Å; Y6-D66 VanDerWaalsContact OH-CG 3.32Å; Y6-D66 PolarHBondContact OH-OD1 3.02Å; Y6-D66 PolarHBondContact OH-OD2 3.19Å
7Q92.4Very high87.5Confident142 Ų14270.5 Ų70.566%0.66437%0.373SS*.Hα-helixtrans-68.8-40175-67.2-173.4-6.400111.5D4 L9 N10D4-Q7 HydrophobicContact CB-CB 4.02Å; D4-Q7 HydrophobicContact CB-CG 3.9Å; D4-Q7 PolarHBondContact O-N 2.94Å; Q7-L9 VanDerWaalsContact C-N 3.29Å; Q7-L9 PolarHBondContact O-N 3.06Å; Q7-N10 PolarHBondContact O-N 3.39Å
8L92.5Very high87Confident50 Ų5067.2 Ų67.226%0.26236%0.357SS..Hα-helixtrans-58.2-41.7175.5-75.4172.1000112L3 D4 Y5 N10 L27 A48 A52L3-L8 HydrophobicContact CB-CD1 4.18Å; D4-L8 PolarHBondContact O-N 2.95Å; Y5-L8 HydrophobicContact CD1-CD1 4.08Å; L8-N10 VanDerWaalsContact C-N 3.29Å; L8-N10 PolarHBondContact O-N 3.39Å; L8-L27 WeakPolarHBondContact O-CD1 3.34Å; L8-A48 HydrophobicContact CD1-CB 4.25Å; L8-A48 HydrophobicContact CD2-CB 4.26Å; L8-A52 HydrophobicContact CB-CB 4.28Å; L8-A52 HydrophobicContact CD1-CB 4.38Å
9L91.8Very high86.9Confident0 Ų068.4 Ų68.40%036%0.36CS..THydrogen-bonded Turntrans-81.4-3.3176.1-67.2-173.7000113.8Y5 Y6 Q7 I11 I20 A23 Y24 L27 I49 A52 L56Y5-L9 PolarHBondContact O-N 3.49Å; Y5-L9 VanDerWaalsContact O-N 3.16Å; Y6-L9 PolarHBondContact O-N 3.28Å; Q7-L9 VanDerWaalsContact C-N 3.29Å; Q7-L9 PolarHBondContact O-N 3.06Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 HydrophobicContact CB-CD1 3.82Å; L9-I11 HydrophobicContact CB-CG1 3.77Å; L9-I11 HydrophobicContact CD1-CD1 4.02Å; L9-I11 PolarHBondContact O-N 3.01Å; L9-I20 HydrophobicContact CD1-CG2 3.94Å; L9-A23 HydrophobicContact CB-CB 4.21Å; L9-A23 WeakPolarHBondContact O-CB 3.48Å; L9-Y24 HydrophobicContact CD2-CD2 4.31Å; L9-L27 HydrophobicContact CD2-CD1 4.2Å; L9-I49 HydrophobicContact CD2-CB 4.22Å; L9-A52 HydrophobicContact CD1-CB 4.36Å; L9-A52 HydrophobicContact CD2-CB 4.26Å; L9-A52 HydrophobicContact CG-CB 3.97Å; L9-L56 HydrophobicContact CD1-CD1 3.79Å
10N91.5Very high87Confident109 Ų10965 Ų6558%0.58334%0.342SS*.THydrogen-bonded Turntrans53.147.3-174.6-65.2-71.7000113Y6 Q7 L8Y6-N10 PolarHBondContact O-N 3.03Å; Y6-N10 VanDerWaalsContact O-N 3.1Å; Q7-N10 PolarHBondContact O-N 3.39Å; L8-N10 VanDerWaalsContact C-N 3.29Å; L8-N10 PolarHBondContact O-N 3.39Å
11I91.8Very high86.8Confident24 Ų2462 Ų6212%0.12333%0.327CS..  trans-129.7154.8-179.654.1175.4000111.3Y6 L9 A15 I20 A23 L56Y6-I11 HydrophobicContact CD1-CD1 4.12Å; Y6-I11 HydrophobicContact CD1-CG1 4.1Å; Y6-I11 PolarHBondContact O-N 3.43Å; L9-I11 VanDerWaalsContact C-N 3.34Å; L9-I11 HydrophobicContact CB-CD1 3.82Å; L9-I11 HydrophobicContact CB-CG1 3.77Å; L9-I11 HydrophobicContact CD1-CD1 4.02Å; L9-I11 PolarHBondContact O-N 3.01Å; I11-A15 HydrophobicContact CB-CB 4.09Å; I11-A15 HydrophobicContact CD1-CB 3.97Å; I11-A15 HydrophobicContact CG1-CB 4.37Å; I11-I20 HydrophobicContact CD1-CB 4.2Å; I11-I20 HydrophobicContact CD1-CG1 3.46Å; I11-I20 VanDerWaalsContact CD1-CG1 3.46Å; I11-A23 HydrophobicContact CG2-CB 3.35Å; I11-L56 HydrophobicContact CD1-CD1 4.36Å
12P91.6Very high88.1Confident68 Ų6858.3 Ų58.344%0.44230%0.304SS..  trans-70.4156.7173.530.5-35.2000111.4S14 A15P12-S14 PolarHBondContact O-N 3.23Å; P12-A15 HydrophobicContact CG-CB 4.32Å; P12-A15 WeakPolarHBondContact O-CB 3.18Å; P12-A15 PolarHBondContact O-N 3.3Å
13R89.9Confident88.5Confident173 Ų17356.7 Ų56.765%0.65329%0.287SS*.THydrogen-bonded Turntrans-63.2-22.1175.1-65-170.6174.6-174.9-2113.8D4 Y6 A15D4-R13 IonicContact OD2-CZ 2.7Å; D4-R13 IonicContact OD2-NE 2.66Å; D4-R13 IonicContact OD2-NH2 2.6Å; D4-R13 PolarHBondContact OD2-NH2 3.28Å; Y6-R13 HydrophobicContact CD1-CG 4.43Å; Y6-R13 HydrophobicContact CD2-CB 4.41Å; Y6-R13 HydrophobicContact CD2-CG 3.74Å; Y6-R13 HydrophobicContact CE2-CB 4.42Å; Y6-R13 HydrophobicContact CE2-CG 4.14Å; Y6-R13 HydrophobicContact CG-CB 4.46Å; Y6-R13 HydrophobicContact CG-CG 3.89Å; R13-A15 PolarHBondContact O-N 3.46Å
14S88.9Confident88.7Confident107 Ų10752.8 Ų52.875%0.74827%0.266SS*.THydrogen-bonded Turntrans-80.10.8174.159.70000113.7P12 D16P12-S14 PolarHBondContact O-N 3.23Å; S14-D16 PolarHBondContact O-N 3.44Å
15A87.3Confident88.3Confident1 Ų154.3 Ų54.31%0.00827%0.27CS..  trans-57.2131.3-175.800000111.5I11 P12 R13 E19 I20 K62I11-A15 HydrophobicContact CB-CB 4.09Å; I11-A15 HydrophobicContact CD1-CB 3.97Å; I11-A15 HydrophobicContact CG1-CB 4.37Å; P12-A15 HydrophobicContact CG-CB 4.32Å; P12-A15 WeakPolarHBondContact O-CB 3.18Å; P12-A15 PolarHBondContact O-N 3.3Å; R13-A15 PolarHBondContact O-N 3.46Å; A15-E19 VanDerWaalsContact CA-OE2 3.24Å; A15-E19 WeakPolarHBondContact CA-OE2 3.36Å; A15-E19 HydrophobicContact CB-CB 3.96Å; A15-E19 WeakPolarHBondContact CB-OE2 3.32Å; A15-I20 HydrophobicContact CB-CG1 4.16Å; A15-K62 PolarHBondContact O-NZ 3.02Å
16D87.2Confident87.8Confident83 Ų8360.9 Ų60.944%0.44430%0.295SS..  trans-71.8168.4170.266.55.7000110.1S14 A18 E19 I20S14-D16 PolarHBondContact O-N 3.44Å; D16-A18 PolarHBondContact O-N 3.34Å; D16-A18 WeakPolarHBondContact OD1-CA 3.42Å; D16-A18 WeakPolarHBondContact OD1-CB 3.39Å; D16-A18 PolarHBondContact OD1-N 3.09Å; D16-A18 WeakPolarHBondContact OD2-CB 3.28Å; D16-E19 PolarHBondContact O-N 2.68Å; D16-E19 WeakPolarHBondContact OD1-CB 3.35Å; D16-E19 VanDerWaalsContact OD1-CG 3.27Å; D16-E19 WeakPolarHBondContact OD1-CG 3.47Å; D16-E19 PolarHBondContact OD1-N 2.98Å; D16-I20 WeakPolarHBondContact O-CD1 3.2Å; D16-I20 WeakPolarHBondContact O-CG1 3.43Å; D16-I20 PolarHBondContact O-N 2.95Å
17H82.8Confident87.6Confident55 Ų5560.9 Ų60.926%0.25530%0.295SS..Hα-helixtrans-54.8-27.4177.7-17348.5000111.9C21 S57 F125 N126H17-C21 WeakPolarHBondContact O-CB 3.32Å; H17-C21 PolarHBondContact O-N 3.47Å; H17-C21 PolarHBondContact O-SG 2.93Å; H17-C21 VanDerWaalsContact O-SG 3.37Å; H17-S57 PolarHBondContact CE1-O 2.82Å; H17-F125 PolarHBondContact CD2-O 2.93Å; H17-F125 PolarHBondContact NE2-O 2.87Å; H17-N126 PolarHBondContact CD2-OD1 3.23Å
18A78.7Confident87.3Confident10 Ų1054.1 Ų54.18%0.08326%0.264CS..Hα-helixtrans-70.2-50.5-17500000113.5D16 I20 C21 K22 F125D16-A18 PolarHBondContact O-N 3.34Å; D16-A18 WeakPolarHBondContact OD1-CA 3.42Å; D16-A18 WeakPolarHBondContact OD1-CB 3.39Å; D16-A18 PolarHBondContact OD1-N 3.09Å; D16-A18 WeakPolarHBondContact OD2-CB 3.28Å; A18-I20 VanDerWaalsContact C-N 3.34Å; A18-C21 PolarHBondContact O-N 3Å; A18-K22 PolarHBondContact O-N 3.17Å; A18-F125 VanDerWaalsContact C-CE1 3.45Å; A18-F125 HydrophobicContact CB-CB 4.42Å; A18-F125 HydrophobicContact CB-CD1 3.1Å; A18-F125 HydrophobicContact CB-CD2 3.7Å; A18-F125 HydrophobicContact CB-CE1 2.9Å; A18-F125 HydrophobicContact CB-CE2 3.54Å; A18-F125 HydrophobicContact CB-CG 3.47Å; A18-F125 VanDerWaalsContact CB-CG 3.47Å; A18-F125 HydrophobicContact CB-CZ 3.12Å; A18-F125 WeakPolarHBondContact O-CD1 3.34Å; A18-F125 WeakPolarHBondContact O-CE1 2.86Å
19E85Confident86.8Confident90 Ų9053.9 Ų53.942%0.42126%0.262SS..Hα-helixtrans-63-39.5172.9-73.5174.5177.300111.7A15 D16 C21 K22 A23A15-E19 VanDerWaalsContact CA-OE2 3.24Å; A15-E19 WeakPolarHBondContact CA-OE2 3.36Å; A15-E19 HydrophobicContact CB-CB 3.96Å; A15-E19 WeakPolarHBondContact CB-OE2 3.32Å; D16-E19 PolarHBondContact O-N 2.68Å; D16-E19 WeakPolarHBondContact OD1-CB 3.35Å; D16-E19 VanDerWaalsContact OD1-CG 3.27Å; D16-E19 WeakPolarHBondContact OD1-CG 3.47Å; D16-E19 PolarHBondContact OD1-N 2.98Å; E19-C21 PolarHBondContact O-N 2.83Å; E19-K22 PolarHBondContact O-N 2.77Å; E19-A23 VanDerWaalsContact O-CB 3.26Å; E19-A23 WeakPolarHBondContact O-CB 3.39Å; E19-A23 PolarHBondContact O-N 2.86Å
20I87.7Confident86.3Confident0 Ų059.2 Ų59.20%029%0.287CS..Hα-helixtrans-57.8-49.6174.5-67.3160.1000110.6L9 I11 A15 D16 A18 A23 Y24 Y53 L56 K62L9-I20 HydrophobicContact CD1-CG2 3.94Å; I11-I20 HydrophobicContact CD1-CB 4.2Å; I11-I20 HydrophobicContact CD1-CG1 3.46Å; I11-I20 VanDerWaalsContact CD1-CG1 3.46Å; A15-I20 HydrophobicContact CB-CG1 4.16Å; D16-I20 WeakPolarHBondContact O-CD1 3.2Å; D16-I20 WeakPolarHBondContact O-CG1 3.43Å; D16-I20 PolarHBondContact O-N 2.95Å; A18-I20 VanDerWaalsContact C-N 3.34Å; I20-A23 PolarHBondContact O-N 3.38Å; I20-Y24 PolarHBondContact O-N 3.3Å; I20-Y53 HydrophobicContact CG2-CD2 4.05Å; I20-Y53 HydrophobicContact CG2-CE2 4.37Å; I20-L56 HydrophobicContact CD1-CB 4.08Å; I20-L56 HydrophobicContact CG1-CB 4.43Å; I20-L56 HydrophobicContact CG2-CB 3.84Å; I20-K62 HydrophobicContact CD1-CD 4.41Å
21C83.8Confident85.9Confident2 Ų257 Ų571%0.01427%0.271CS..Hα-helixtrans-62.8-42.2177.3-780000112.5H17 A18 E19 A23 R25 F100 F125H17-C21 WeakPolarHBondContact O-CB 3.32Å; H17-C21 PolarHBondContact O-N 3.47Å; H17-C21 PolarHBondContact O-SG 2.93Å; H17-C21 VanDerWaalsContact O-SG 3.37Å; A18-C21 PolarHBondContact O-N 3Å; E19-C21 PolarHBondContact O-N 2.83Å; C21-A23 VanDerWaalsContact C-N 3.35Å; C21-R25 WeakPolarHBondContact O-CB 3.43Å; C21-R25 PolarHBondContact O-N 3.46Å; C21-F100 HydrophobicContact CB-CE2 4.18Å; C21-F100 HydrophobicContact CB-CZ 4.46Å; C21-F100 WeakPolarHBondContact O-CZ 3.3Å; C21-F125 PolarHBondContact SG-O 2.83Å
22K82.9Confident85.4Confident155 Ų15556.2 Ų56.267%0.67427%0.267SS*.Hα-helixtrans-64.2-41.1178-174.5176.3-179.6176.90111.7A18 E19 R26A18-K22 PolarHBondContact O-N 3.17Å; E19-K22 PolarHBondContact O-N 2.77Å; K22-R26 PolarHBondContact O-N 2.92Å; K22-R26 VanDerWaalsContact O-N 3.17Å
23A87.8Confident84.7Confident6 Ų655.3 Ų55.35%0.0526%0.26CS..Hα-helixtrans-66.5-48.1177.600000112.4L9 I11 E19 I20 C21 R25 R26 L27L9-A23 HydrophobicContact CB-CB 4.21Å; L9-A23 WeakPolarHBondContact O-CB 3.48Å; I11-A23 HydrophobicContact CG2-CB 3.35Å; E19-A23 VanDerWaalsContact O-CB 3.26Å; E19-A23 WeakPolarHBondContact O-CB 3.39Å; E19-A23 PolarHBondContact O-N 2.86Å; I20-A23 PolarHBondContact O-N 3.38Å; C21-A23 VanDerWaalsContact C-N 3.35Å; A23-R25 VanDerWaalsContact C-N 3.34Å; A23-R25 PolarHBondContact O-N 3.03Å; A23-R26 PolarHBondContact O-N 3.34Å; A23-L27 WeakPolarHBondContact O-CG 3.4Å; A23-L27 PolarHBondContact O-N 3.05Å
24Y90.2Very high83.9Confident0 Ų051.1 Ų51.10%026%0.257CS..Hα-helixtrans-58.3-46.7175.3179.5-114.6000111.2L9 I20 R26 L27 A28 I49 S50 Y53 F100L9-Y24 HydrophobicContact CD2-CD2 4.31Å; I20-Y24 PolarHBondContact O-N 3.3Å; Y24-R26 PolarHBondContact O-N 2.86Å; Y24-L27 PolarHBondContact O-N 2.88Å; Y24-A28 HydrophobicContact CD2-CB 4.27Å; Y24-A28 HydrophobicContact CE1-CB 4.23Å; Y24-A28 HydrophobicContact CE2-CB 3.96Å; Y24-A28 WeakPolarHBondContact O-CB 3.45Å; Y24-A28 PolarHBondContact O-N 2.94Å; Y24-I49 HydrophobicContact CD2-CB 4.43Å; Y24-I49 HydrophobicContact CD2-CG1 4.45Å; Y24-I49 WeakPolarHBondContact CD2-O 3.32Å; Y24-I49 HydrophobicContact CE2-CB 4.49Å; Y24-I49 HydrophobicContact CE2-CG1 4.11Å; Y24-I49 WeakPolarHBondContact CE2-O 3.47Å; Y24-S50 PolarHBondContact OH-OG 3.19Å; Y24-Y53 AromaticContact CD1-CD1 3.72Å; Y24-Y53 HydrophobicContact CD1-CD1 3.72Å; Y24-Y53 AromaticContact CD1-CD2 3.8Å; Y24-Y53 HydrophobicContact CD1-CD2 3.8Å; Y24-Y53 HydrophobicContact CD1-CE1 4.15Å; Y24-Y53 HydrophobicContact CD1-CE2 4.23Å; Y24-Y53 AromaticContact CD1-CG 3.53Å; Y24-Y53 HydrophobicContact CD1-CG 3.53Å; Y24-Y53 HydrophobicContact CD2-CD2 4.41Å; Y24-Y53 AromaticContact CD2-CG 3.88Å; Y24-Y53 HydrophobicContact CD2-CG 3.88Å; Y24-Y53 AromaticContact CE1-CD1 3.76Å; Y24-Y53 HydrophobicContact CE1-CD1 3.76Å; Y24-Y53 HydrophobicContact CE1-CE1 4.27Å; Y24-Y53 AromaticContact CE1-CG 3.98Å; Y24-Y53 HydrophobicContact CE1-CG 3.98Å; Y24-Y53 HydrophobicContact CE2-CG 4.31Å; Y24-Y53 HydrophobicContact CG-CD1 4.12Å; Y24-Y53 AromaticContact CG-CD2 3.65Å; Y24-Y53 HydrophobicContact CG-CD2 3.65Å; Y24-Y53 HydrophobicContact CG-CE2 4.45Å; Y24-Y53 AromaticContact CG-CG 3.46Å; Y24-Y53 HydrophobicContact CG-CG 3.46Å; Y24-Y53 VanDerWaalsContact CG-CG 3.46Å; Y24-F100 HydrophobicContact CD1-CB 4.39Å; Y24-F100 HydrophobicContact CD1-CD1 4.01Å; Y24-F100 AromaticContact CD1-CD2 3.7Å; Y24-F100 HydrophobicContact CD1-CD2 3.7Å; Y24-F100 HydrophobicContact CD1-CE1 4.16Å; Y24-F100 AromaticContact CD1-CE2 3.86Å; Y24-F100 HydrophobicContact CD1-CE2 3.86Å; Y24-F100 AromaticContact CD1-CG 3.76Å; Y24-F100 HydrophobicContact CD1-CG 3.76Å; Y24-F100 HydrophobicContact CD1-CZ 4.08Å; Y24-F100 HydrophobicContact CE1-CB 3.8Å; Y24-F100 HydrophobicContact CE1-CD1 4.03Å; Y24-F100 AromaticContact CE1-CD2 3.99Å; Y24-F100 HydrophobicContact CE1-CD2 3.99Å; Y24-F100 AromaticContact CE1-CG 3.66Å; Y24-F100 HydrophobicContact CE1-CG 3.66Å
25R82.6Confident83.1Confident61 Ų6148.7 Ų48.723%0.2324%0.239CC..Hα-helixtrans-52.8-50.2176.5-176.1-178.5-59.9176.6-3.1112.6C21 A23 L29 F100 F101 F122 G123C21-R25 WeakPolarHBondContact O-CB 3.43Å; C21-R25 PolarHBondContact O-N 3.46Å; A23-R25 VanDerWaalsContact C-N 3.34Å; A23-R25 PolarHBondContact O-N 3.03Å; R25-L29 HydrophobicContact CG-CD1 4.32Å; R25-L29 VanDerWaalsContact O-CG 3.3Å; R25-L29 WeakPolarHBondContact O-CG 3.49Å; R25-L29 PolarHBondContact O-N 3.39Å; R25-F100 HydrophobicContact CB-CE1 3.82Å; R25-F100 HydrophobicContact CB-CZ 3.94Å; R25-F100 HydrophobicContact CG-CE1 4.19Å; R25-F101 HydrophobicContact CG-CE1 4.15Å; R25-F101 HydrophobicContact CG-CZ 4.13Å; R25-F122 PolarHBondContact NH1-O 3.06Å; R25-G123 PolarHBondContact NH2-O 3.43Å
26R84.4Confident82.1Confident138 Ų13850.4 Ų50.452%0.52125%0.253SS..Hα-helixtrans-61.7-46.6-179.2178.1178.259.281.11.7111.5K22 A23 Y24 H30K22-R26 PolarHBondContact O-N 2.92Å; K22-R26 VanDerWaalsContact O-N 3.17Å; A23-R26 PolarHBondContact O-N 3.34Å; Y24-R26 PolarHBondContact O-N 2.86Å; R26-H30 WeakPolarHBondContact O-CB 3.09Å; R26-H30 PolarHBondContact O-N 2.89Å
27L88.9Confident81.4Confident5 Ų552.8 Ų52.83%0.02626%0.262CS..Hα-helixtrans-76-37.6-176.1-65.6171.4000112.4L8 L9 A23 Y24 L29 H30 Y31 I49L8-L27 WeakPolarHBondContact O-CD1 3.34Å; L9-L27 HydrophobicContact CD2-CD1 4.2Å; A23-L27 WeakPolarHBondContact O-CG 3.4Å; A23-L27 PolarHBondContact O-N 3.05Å; Y24-L27 PolarHBondContact O-N 2.88Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 2.81Å; L27-H30 PolarHBondContact O-N 3.21Å; L27-Y31 HydrophobicContact CB-CD2 4.32Å; L27-Y31 HydrophobicContact CD2-CE2 4.04Å; L27-Y31 WeakPolarHBondContact O-CB 3.36Å; L27-Y31 WeakPolarHBondContact O-CD2 3.26Å; L27-Y31 PolarHBondContact O-N 2.93Å; L27-I49 HydrophobicContact CB-CD1 3.99Å; L27-I49 HydrophobicContact CB-CG2 4.25Å; L27-I49 HydrophobicContact CD1-CG2 4.25Å
28A87Confident80.7Confident0 Ų056.9 Ų56.90%029%0.293CS..Hα-helixtrans-64.8-36.2178.500000111.9Y24 H32 F46 I49 F97 F101Y24-A28 HydrophobicContact CD2-CB 4.27Å; Y24-A28 HydrophobicContact CE1-CB 4.23Å; Y24-A28 HydrophobicContact CE2-CB 3.96Å; Y24-A28 WeakPolarHBondContact O-CB 3.45Å; Y24-A28 PolarHBondContact O-N 2.94Å; A28-H32 WeakPolarHBondContact O-CA 3.4Å; A28-H32 WeakPolarHBondContact O-CB 3.34Å; A28-H32 PolarHBondContact O-N 2.97Å; A28-H32 VanDerWaalsContact O-N 3.12Å; A28-F46 HydrophobicContact CB-CE2 4.3Å; A28-I49 HydrophobicContact CB-CD1 4.37Å; A28-F97 HydrophobicContact CB-CD2 4.1Å; A28-F97 HydrophobicContact CB-CE2 4.23Å; A28-F101 HydrophobicContact CB-CE2 4.01Å; A28-F101 HydrophobicContact CB-CZ 4.43Å
29L82.1Confident80.5Confident44 Ų4460.4 Ų60.423%0.2333%0.33CS..Hα-helixtrans-71.3-38.8172.2-68.8173.5000112.1R25 L27 F101 P106 F107R25-L29 HydrophobicContact CG-CD1 4.32Å; R25-L29 VanDerWaalsContact O-CG 3.3Å; R25-L29 WeakPolarHBondContact O-CG 3.49Å; R25-L29 PolarHBondContact O-N 3.39Å; L27-L29 VanDerWaalsContact C-N 3.32Å; L27-L29 PolarHBondContact O-N 2.81Å; L29-F101 HydrophobicContact CD1-CE1 4.42Å; L29-F101 HydrophobicContact CD1-CZ 4.47Å; L29-F101 HydrophobicContact CD2-CE1 4.03Å; L29-F101 HydrophobicContact CD2-CZ 3.96Å; L29-F101 HydrophobicContact CG-CE1 4.21Å; L29-F101 HydrophobicContact CG-CZ 3.9Å; L29-P106 HydrophobicContact CD2-CB 4.08Å; L29-P106 HydrophobicContact CD2-CG 3.51Å; L29-F107 HydrophobicContact CB-CZ 4.43Å; L29-F107 HydrophobicContact CD2-CE1 4.46Å; L29-F107 HydrophobicContact CD2-CE2 4.23Å; L29-F107 HydrophobicContact CD2-CZ 3.87Å
30H80.7Confident80.2Confident113 Ų11360.2 Ų60.252%0.52333%0.33SS..Hα-helixtrans-67.1-41.9179.3-174.9-81.8000112.6R26 L27R26-H30 WeakPolarHBondContact O-CB 3.09Å; R26-H30 PolarHBondContact O-N 2.89Å; L27-H30 PolarHBondContact O-N 3.21Å
31Y83.1Confident79.8Confident63 Ų6365 Ų6525%0.24736%0.356CS..THydrogen-bonded Turntrans-96.313.7-179-65.3-59.6000113.1L27 F42 C45 I49L27-Y31 HydrophobicContact CB-CD2 4.32Å; L27-Y31 HydrophobicContact CD2-CE2 4.04Å; L27-Y31 WeakPolarHBondContact O-CB 3.36Å; L27-Y31 WeakPolarHBondContact O-CD2 3.26Å; L27-Y31 PolarHBondContact O-N 2.93Å; Y31-F42 HydrophobicContact CD1-CB 4.2Å; Y31-F42 AromaticContact CD1-CD1 3.57Å; Y31-F42 HydrophobicContact CD1-CD1 3.57Å; Y31-F42 HydrophobicContact CD1-CD2 4.44Å; Y31-F42 AromaticContact CD1-CE1 3.97Å; Y31-F42 HydrophobicContact CD1-CE1 3.97Å; Y31-F42 AromaticContact CD1-CG 3.84Å; Y31-F42 HydrophobicContact CD1-CG 3.84Å; Y31-F42 HydrophobicContact CE1-CD1 4.06Å; Y31-F42 HydrophobicContact CE1-CE1 4.15Å; Y31-F42 WeakPolarHBondContact O-CB 3.36Å; Y31-C45 HydrophobicContact CD1-CB 3.79Å; Y31-C45 HydrophobicContact CD2-CB 4.13Å; Y31-C45 HydrophobicContact CE1-CB 4.03Å; Y31-C45 HydrophobicContact CE2-CB 4.34Å; Y31-C45 HydrophobicContact CG-CB 3.84Å; Y31-I49 HydrophobicContact CD2-CD1 3.95Å; Y31-I49 HydrophobicContact CG-CD1 4.49Å
32H81.6Confident79.8Confident7 Ų766.4 Ų66.43%0.03236%0.361CS..  trans-66.4137.7178.7-167.6-101.4000110.4A28 C34 C35 F97 F107A28-H32 WeakPolarHBondContact O-CA 3.4Å; A28-H32 WeakPolarHBondContact O-CB 3.34Å; A28-H32 PolarHBondContact O-N 2.97Å; A28-H32 VanDerWaalsContact O-N 3.12Å; H32-C34 VanDerWaalsContact ND1-CB 3.27Å; H32-C34 WeakPolarHBondContact ND1-CB 3.4Å; H32-C34 PolarHBondContact ND1-N 3.33Å; H32-C34 PolarHBondContact O-N 2.73Å; H32-C35 PolarHBondContact O-N 2.97Å; H32-F97 AromaticContact CD2-CE1 3.88Å; H32-F97 AromaticContact CD2-CE2 3.51Å; H32-F97 AromaticContact CD2-CZ 3.3Å; H32-F97 WeakPolarHBondContact CD2-CZ 3.38Å; H32-F97 AromaticContact NE2-CE1 3.68Å; H32-F97 AromaticContact NE2-CZ 3.56Å; H32-F107 HydrophobicContact CB-CE2 4.34Å
33P77.1Confident79.9Confident48 Ų4863.5 Ų63.531%0.31235%0.353SS..G310 helixtrans-54.1-31.2-179.6-28.735.5000114.5C35 A36P33-C35 VanDerWaalsContact C-N 3.28Å; P33-C35 PolarHBondContact O-N 2.76Å; P33-A36 PolarHBondContact O-N 3.19Å
34C73.1Confident79.9Confident86 Ų8670.7 Ų70.758%0.58139%0.386SS*.G310 helixtrans-70.6-18.9178.3-163.80000114.2H32H32-C34 VanDerWaalsContact ND1-CB 3.27Å; H32-C34 WeakPolarHBondContact ND1-CB 3.4Å; H32-C34 PolarHBondContact ND1-N 3.33Å; H32-C34 PolarHBondContact O-N 2.73Å
35C70.6Confident79.7Confident56 Ų5673.1 Ų73.138%0.37840%0.402SS..G310 helixtrans-98.9-4.1-179.4-65.90000113.5H32 P33 F107H32-C35 PolarHBondContact O-N 2.97Å; P33-C35 VanDerWaalsContact C-N 3.28Å; P33-C35 PolarHBondContact O-N 2.76Å; C35-F107 WeakPolarHBondContact SG-CE2 3.38Å; C35-F107 WeakPolarHBondContact SG-CZ 3.48Å
36A66.5Low80Confident36 Ų3670.4 Ų70.430%0.29839%0.392SS..  trans-67.6135.6-178.700000111.7P33 F42P33-A36 PolarHBondContact O-N 3.19Å; A36-F42 HydrophobicContact CB-CD2 3.61Å; A36-F42 HydrophobicContact CB-CE2 3.89Å; A36-F42 HydrophobicContact CB-CG 4.46Å
37Q73.1Confident80.4Confident133 Ų13365.6 Ų65.662%0.62138%0.38SS*.  trans-73.2156.7168.9-63178.744.300110.2G39 E40Q37-G39 PolarHBondContact O-N 2.9Å; Q37-E40 HydrophobicContact CB-CG 4.29Å; Q37-E40 WeakPolarHBondContact CB-OE2 3.43Å; Q37-E40 PolarHBondContact N-OE2 3.11Å; Q37-E40 VanDerWaalsContact N-OE2 3.15Å; Q37-E40 PolarHBondContact O-N 2.82Å
38P67.5Low80.5Confident141 Ų14166.4 Ų66.492%0.91639%0.387SS*.THydrogen-bonded Turntrans-57.2110.9177-22.132.3000111.5
39G75.8Confident80.8Confident84 Ų8466.7 Ų66.787%0.86639%0.388SS*.THydrogen-bonded Turntrans106.6-8-179.800000115.4Q37Q37-G39 PolarHBondContact O-N 2.9Å
40E77.1Confident81.2Confident86 Ų8664.6 Ų64.640%0.40238%0.377SS..  trans-85.2127.1170.3-68.9179.6152.600110.3Q37 F42Q37-E40 HydrophobicContact CB-CG 4.29Å; Q37-E40 WeakPolarHBondContact CB-OE2 3.43Å; Q37-E40 PolarHBondContact N-OE2 3.11Å; Q37-E40 VanDerWaalsContact N-OE2 3.15Å; Q37-E40 PolarHBondContact O-N 2.82Å; E40-F42 HydrophobicContact CB-CE1 4.05Å; E40-F42 HydrophobicContact CB-CE2 4.41Å; E40-F42 HydrophobicContact CB-CZ 4Å; E40-F42 HydrophobicContact CG-CZ 4.34Å; E40-F42 WeakPolarHBondContact OE2-CZ 3.49Å
41D79.4Confident81.8Confident102 Ų10260.2 Ų60.255%0.54536%0.357SS..  trans-102.5101.3171.6-169.51.1000109.9N43D41-N43 WeakPolarHBondContact OD1-CB 3.37Å; D41-N43 VanDerWaalsContact OD1-CG 3.31Å; D41-N43 PolarHBondContact OD1-N 2.93Å; D41-N43 PolarHBondContact OD1-ND2 3.06Å
42F84.8Confident82.3Confident31 Ų3157.2 Ų57.214%0.13635%0.345CS..  trans-91.6-0.7175.1-63.9-32.9000113.4Y31 A36 E40 E44 C45 F46Y31-F42 HydrophobicContact CD1-CB 4.2Å; Y31-F42 AromaticContact CD1-CD1 3.57Å; Y31-F42 HydrophobicContact CD1-CD1 3.57Å; Y31-F42 HydrophobicContact CD1-CD2 4.44Å; Y31-F42 AromaticContact CD1-CE1 3.97Å; Y31-F42 HydrophobicContact CD1-CE1 3.97Å; Y31-F42 AromaticContact CD1-CG 3.84Å; Y31-F42 HydrophobicContact CD1-CG 3.84Å; Y31-F42 HydrophobicContact CE1-CD1 4.06Å; Y31-F42 HydrophobicContact CE1-CE1 4.15Å; Y31-F42 WeakPolarHBondContact O-CB 3.36Å; A36-F42 HydrophobicContact CB-CD2 3.61Å; A36-F42 HydrophobicContact CB-CE2 3.89Å; A36-F42 HydrophobicContact CB-CG 4.46Å; E40-F42 HydrophobicContact CB-CE1 4.05Å; E40-F42 HydrophobicContact CB-CE2 4.41Å; E40-F42 HydrophobicContact CB-CZ 4Å; E40-F42 HydrophobicContact CG-CZ 4.34Å; E40-F42 WeakPolarHBondContact OE2-CZ 3.49Å; F42-E44 PolarHBondContact O-N 2.74Å; F42-C45 PolarHBondContact O-N 3.06Å; F42-F46 WeakPolarHBondContact O-CB 3.16Å; F42-F46 PolarHBondContact O-N 2.75Å
43N84.8Confident82.8Confident93 Ų9357.8 Ų57.850%0.49735%0.347SS..Hα-helixtrans-61.3-42.4-174.7-68.2-52.9000112.4D41 F46 S47D41-N43 WeakPolarHBondContact OD1-CB 3.37Å; D41-N43 VanDerWaalsContact OD1-CG 3.31Å; D41-N43 PolarHBondContact OD1-N 2.93Å; D41-N43 PolarHBondContact OD1-ND2 3.06Å; N43-F46 PolarHBondContact O-N 3.11Å; N43-S47 WeakPolarHBondContact O-CB 3.13Å; N43-S47 PolarHBondContact O-N 3.31Å
44E86.7Confident83.5Confident158 Ų15857 Ų5774%0.73834%0.341SS*.Hα-helixtrans-63.9-48.7177.9-65.9-170.9166.600111.3F42 F46 S47 A48F42-E44 PolarHBondContact O-N 2.74Å; E44-F46 PolarHBondContact O-N 3.2Å; E44-S47 PolarHBondContact O-N 2.86Å; E44-A48 VanDerWaalsContact O-CB 3.3Å; E44-A48 WeakPolarHBondContact O-CB 3.25Å; E44-A48 PolarHBondContact O-N 2.89Å
45C87.3Confident84.4Confident51 Ų5153 Ų5335%0.34531%0.313SS..Hα-helixtrans-60.4-45.4176.7-68.50000111.5Y31 F42 A48 I49Y31-C45 HydrophobicContact CD1-CB 3.79Å; Y31-C45 HydrophobicContact CD2-CB 4.13Å; Y31-C45 HydrophobicContact CE1-CB 4.03Å; Y31-C45 HydrophobicContact CE2-CB 4.34Å; Y31-C45 HydrophobicContact CG-CB 3.84Å; F42-C45 PolarHBondContact O-N 3.06Å; C45-A48 PolarHBondContact O-N 3.5Å; C45-I49 VanDerWaalsContact O-CG1 3.27Å; C45-I49 WeakPolarHBondContact O-CG1 3.35Å; C45-I49 WeakPolarHBondContact O-CG2 3.34Å; C45-I49 PolarHBondContact O-N 2.77Å
46F89.5Confident85.4Confident4 Ų450.3 Ų50.32%0.01830%0.295CS..Hα-helixtrans-65.5-38.6-179.9-174-111000112.5A28 F42 N43 E44 I49 S50 A93 F97A28-F46 HydrophobicContact CB-CE2 4.3Å; F42-F46 WeakPolarHBondContact O-CB 3.16Å; F42-F46 PolarHBondContact O-N 2.75Å; N43-F46 PolarHBondContact O-N 3.11Å; E44-F46 PolarHBondContact O-N 3.2Å; F46-I49 HydrophobicContact CD2-CD1 4.15Å; F46-I49 VanDerWaalsContact O-CG1 3.25Å; F46-I49 WeakPolarHBondContact O-CG1 3.38Å; F46-S50 WeakPolarHBondContact O-CB 3.45Å; F46-S50 PolarHBondContact O-N 3.26Å; F46-S50 VanDerWaalsContact O-N 3.16Å; F46-S50 PolarHBondContact O-OG 2.76Å; F46-A93 HydrophobicContact CD1-CB 3.43Å; F46-A93 VanDerWaalsContact CD1-CB 3.43Å; F46-A93 HydrophobicContact CE1-CB 3.55Å; F46-A93 HydrophobicContact CG-CB 4.45Å; F46-F97 HydrophobicContact CE2-CB 4.49Å; F46-F97 AromaticContact CE2-CD2 3.67Å; F46-F97 HydrophobicContact CE2-CD2 3.67Å; F46-F97 HydrophobicContact CE2-CE2 4.16Å; F46-F97 HydrophobicContact CE2-CG 4.35Å; F46-F97 HydrophobicContact CZ-CB 3.69Å; F46-F97 AromaticContact CZ-CD2 3.59Å; F46-F97 HydrophobicContact CZ-CD2 3.59Å; F46-F97 HydrophobicContact CZ-CE2 4.31Å; F46-F97 AromaticContact CZ-CG 3.8Å; F46-F97 HydrophobicContact CZ-CG 3.8Å
47S91Very high86.4Confident37 Ų3749.9 Ų49.926%0.25929%0.29SS..Hα-helixtrans-66.8-46.8173.3-167.70000111.3N43 E44 S50 E51N43-S47 WeakPolarHBondContact O-CB 3.13Å; N43-S47 PolarHBondContact O-N 3.31Å; E44-S47 PolarHBondContact O-N 2.86Å; S47-S50 PolarHBondContact O-N 3.36Å; S47-E51 PolarHBondContact O-N 2.8Å
48A91.7Very high87.1Confident22 Ų2246.4 Ų46.418%0.18228%0.276CS..Hα-helixtrans-63.4-44.1-179.400000113L8 E44 C45 S50 A52L8-A48 HydrophobicContact CD1-CB 4.25Å; L8-A48 HydrophobicContact CD2-CB 4.26Å; E44-A48 VanDerWaalsContact O-CB 3.3Å; E44-A48 WeakPolarHBondContact O-CB 3.25Å; E44-A48 PolarHBondContact O-N 2.89Å; C45-A48 PolarHBondContact O-N 3.5Å; A48-S50 VanDerWaalsContact C-N 3.3Å; A48-S50 PolarHBondContact O-N 2.93Å; A48-A52 WeakPolarHBondContact O-CB 3.41Å; A48-A52 PolarHBondContact O-N 2.91Å
49I92.5Very high88.1Confident5 Ų546.2 Ų46.23%0.02627%0.266CS..Hα-helixtrans-67.5-32.3176.464.6-172.3000112L9 Y24 L27 A28 Y31 C45 F46 Y53L9-I49 HydrophobicContact CD2-CB 4.22Å; Y24-I49 HydrophobicContact CD2-CB 4.43Å; Y24-I49 HydrophobicContact CD2-CG1 4.45Å; Y24-I49 WeakPolarHBondContact CD2-O 3.32Å; Y24-I49 HydrophobicContact CE2-CB 4.49Å; Y24-I49 HydrophobicContact CE2-CG1 4.11Å; Y24-I49 WeakPolarHBondContact CE2-O 3.47Å; L27-I49 HydrophobicContact CB-CD1 3.99Å; L27-I49 HydrophobicContact CB-CG2 4.25Å; L27-I49 HydrophobicContact CD1-CG2 4.25Å; A28-I49 HydrophobicContact CB-CD1 4.37Å; Y31-I49 HydrophobicContact CD2-CD1 3.95Å; Y31-I49 HydrophobicContact CG-CD1 4.49Å; C45-I49 VanDerWaalsContact O-CG1 3.27Å; C45-I49 WeakPolarHBondContact O-CG1 3.35Å; C45-I49 WeakPolarHBondContact O-CG2 3.34Å; C45-I49 PolarHBondContact O-N 2.77Å; F46-I49 HydrophobicContact CD2-CD1 4.15Å; F46-I49 VanDerWaalsContact O-CG1 3.25Å; F46-I49 WeakPolarHBondContact O-CG1 3.38Å; I49-Y53 WeakPolarHBondContact O-CB 3.46Å; I49-Y53 PolarHBondContact O-N 2.91Å
50S91.7Very high88.7Confident0 Ų050 Ų500%026%0.259CS..Hα-helixtrans-73.5-40.1178.4-63.30000111.7Y24 F46 S47 A48 Y53 D54 Y89Y24-S50 PolarHBondContact OH-OG 3.19Å; F46-S50 WeakPolarHBondContact O-CB 3.45Å; F46-S50 PolarHBondContact O-N 3.26Å; F46-S50 VanDerWaalsContact O-N 3.16Å; F46-S50 PolarHBondContact O-OG 2.76Å; S47-S50 PolarHBondContact O-N 3.36Å; A48-S50 VanDerWaalsContact C-N 3.3Å; A48-S50 PolarHBondContact O-N 2.93Å; S50-Y53 PolarHBondContact O-N 2.79Å; S50-D54 PolarHBondContact O-N 3.29Å; S50-Y89 WeakPolarHBondContact CB-OH 3.49Å
51E93.2Very high89.3Confident22 Ų2247.9 Ų47.910%0.10325%0.248CC..Hα-helixtrans-61.9-45.5170.1-176.6179.815500111.3Y5 S47 Y53 D54 V55 K74 Y87 Y89Y5-E51 HydrophobicContact CE1-CG 4.06Å; Y5-E51 PolarHBondContact OH-OE1 3.3Å; S47-E51 PolarHBondContact O-N 2.8Å; E51-Y53 VanDerWaalsContact C-N 3.29Å; E51-Y53 PolarHBondContact O-N 2.97Å; E51-D54 PolarHBondContact O-N 2.91Å; E51-V55 WeakPolarHBondContact O-CG2 3.21Å; E51-V55 PolarHBondContact O-N 3.35Å; E51-V55 VanDerWaalsContact O-N 3.1Å; E51-K74 WeakPolarHBondContact OE1-CE 3.5Å; E51-K74 IonicContact OE1-NZ 3.06Å; E51-K74 PolarHBondContact OE1-NZ 2.75Å; E51-K74 IonicContact OE2-NZ 3.84Å; E51-Y87 HydrophobicContact CG-CE1 4.3Å; E51-Y89 HydrophobicContact CB-CD1 3.97Å; E51-Y89 HydrophobicContact CB-CD2 4.1Å; E51-Y89 HydrophobicContact CB-CE1 4.11Å; E51-Y89 HydrophobicContact CB-CE2 4.23Å; E51-Y89 HydrophobicContact CB-CG 3.95Å; E51-Y89 HydrophobicContact CG-CD1 4.24Å; E51-Y89 HydrophobicContact CG-CD2 4.12Å; E51-Y89 HydrophobicContact CG-CG 3.84Å
52A93.7Very high89.9Confident0 Ų044.6 Ų44.60%023%0.229CC..Hα-helixtrans-58.3-42.9177.500000111.7Y5 L8 L9 A48 L56Y5-A52 HydrophobicContact CD1-CB 3.62Å; Y5-A52 HydrophobicContact CG-CB 4.04Å; L8-A52 HydrophobicContact CB-CB 4.28Å; L8-A52 HydrophobicContact CD1-CB 4.38Å; L9-A52 HydrophobicContact CD1-CB 4.36Å; L9-A52 HydrophobicContact CD2-CB 4.26Å; L9-A52 HydrophobicContact CG-CB 3.97Å; A48-A52 WeakPolarHBondContact O-CB 3.41Å; A48-A52 PolarHBondContact O-N 2.91Å; A52-L56 WeakPolarHBondContact O-CB 3.34Å; A52-L56 VanDerWaalsContact O-CG 3.3Å; A52-L56 WeakPolarHBondContact O-CG 3.39Å; A52-L56 PolarHBondContact O-N 3.17Å
53Y91.6Very high90.1Very high18 Ų1845.8 Ų45.87%0.07124%0.244CC..Hα-helixtrans-66.6-44.9175.7178.2-104.1000112.7I20 Y24 I49 S50 E51 V55 L56 S57 T96 F100I20-Y53 HydrophobicContact CG2-CD2 4.05Å; I20-Y53 HydrophobicContact CG2-CE2 4.37Å; Y24-Y53 AromaticContact CD1-CD1 3.72Å; Y24-Y53 HydrophobicContact CD1-CD1 3.72Å; Y24-Y53 AromaticContact CD1-CD2 3.8Å; Y24-Y53 HydrophobicContact CD1-CD2 3.8Å; Y24-Y53 HydrophobicContact CD1-CE1 4.15Å; Y24-Y53 HydrophobicContact CD1-CE2 4.23Å; Y24-Y53 AromaticContact CD1-CG 3.53Å; Y24-Y53 HydrophobicContact CD1-CG 3.53Å; Y24-Y53 HydrophobicContact CD2-CD2 4.41Å; Y24-Y53 AromaticContact CD2-CG 3.88Å; Y24-Y53 HydrophobicContact CD2-CG 3.88Å; Y24-Y53 AromaticContact CE1-CD1 3.76Å; Y24-Y53 HydrophobicContact CE1-CD1 3.76Å; Y24-Y53 HydrophobicContact CE1-CE1 4.27Å; Y24-Y53 AromaticContact CE1-CG 3.98Å; Y24-Y53 HydrophobicContact CE1-CG 3.98Å; Y24-Y53 HydrophobicContact CE2-CG 4.31Å; Y24-Y53 HydrophobicContact CG-CD1 4.12Å; Y24-Y53 AromaticContact CG-CD2 3.65Å; Y24-Y53 HydrophobicContact CG-CD2 3.65Å; Y24-Y53 HydrophobicContact CG-CE2 4.45Å; Y24-Y53 AromaticContact CG-CG 3.46Å; Y24-Y53 HydrophobicContact CG-CG 3.46Å; Y24-Y53 VanDerWaalsContact CG-CG 3.46Å; I49-Y53 WeakPolarHBondContact O-CB 3.46Å; I49-Y53 PolarHBondContact O-N 2.91Å; S50-Y53 PolarHBondContact O-N 2.79Å; E51-Y53 VanDerWaalsContact C-N 3.29Å; E51-Y53 PolarHBondContact O-N 2.97Å; Y53-V55 PolarHBondContact O-N 2.9Å; Y53-L56 PolarHBondContact O-N 2.82Å; Y53-S57 WeakPolarHBondContact O-CB 3.28Å; Y53-S57 PolarHBondContact O-N 3.43Å; Y53-S57 PolarHBondContact O-OG 3.31Å; Y53-T96 HydrophobicContact CD1-CG2 3.86Å; Y53-F100 HydrophobicContact CD1-CD2 4.41Å; Y53-F100 HydrophobicContact CE1-CB 4.45Å; Y53-F100 AromaticContact CE1-CD2 3.56Å; Y53-F100 HydrophobicContact CE1-CD2 3.56Å; Y53-F100 HydrophobicContact CE1-CE2 4.26Å; Y53-F100 HydrophobicContact CE1-CG 4.41Å; Y53-F100 HydrophobicContact CE2-CD2 4.03Å; Y53-F100 AromaticContact CE2-CE2 3.87Å; Y53-F100 HydrophobicContact CE2-CE2 3.87Å; Y53-F100 AromaticContact CZ-CD2 3.34Å; Y53-F100 AromaticContact CZ-CE2 3.61Å; Y53-F100 VanDerWaalsContact OH-CD2 3.27Å; Y53-F100 WeakPolarHBondContact OH-CD2 3.37Å; Y53-F100 WeakPolarHBondContact OH-CE2 3.38Å
54D91.3Very high90.3Very high33 Ų3342.5 Ų42.518%0.17623%0.227CC..Hα-helixtrans-60.5-31.3179.1-176.552.2000112.6S50 E51 S57 K61 Y87 Y89S50-D54 PolarHBondContact O-N 3.29Å; E51-D54 PolarHBondContact O-N 2.91Å; D54-S57 PolarHBondContact O-OG 3.07Å; D54-K61 WeakPolarHBondContact O-CD 3.21Å; D54-K61 PolarHBondContact O-NZ 3.05Å; D54-K61 VanDerWaalsContact O-NZ 3.11Å; D54-K61 IonicContact OD1-NZ 2.93Å; D54-K61 PolarHBondContact OD1-NZ 3.41Å; D54-K61 IonicContact OD2-NZ 2.67Å; D54-K61 PolarHBondContact OD2-NZ 2.76Å; D54-Y87 VanDerWaalsContact OD2-CE2 3.31Å; D54-Y87 WeakPolarHBondContact OD2-CE2 3.45Å; D54-Y87 PolarHBondContact OD2-OH 3.29Å; D54-Y89 HydrophobicContact CB-CD2 4.39Å; D54-Y89 HydrophobicContact CB-CE2 4.16Å
55V92.5Very high90.6Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-77.7-51.6174.6174.50000111.9Y5 E51 Y53 S57 K61 K62 Y65 L73 Y87Y5-V55 HydrophobicContact CD2-CB 4.04Å; Y5-V55 HydrophobicContact CD2-CG1 3.78Å; Y5-V55 HydrophobicContact CD2-CG2 4.37Å; Y5-V55 HydrophobicContact CE2-CB 3.94Å; Y5-V55 HydrophobicContact CE2-CG1 3.75Å; Y5-V55 HydrophobicContact CE2-CG2 3.77Å; E51-V55 WeakPolarHBondContact O-CG2 3.21Å; E51-V55 PolarHBondContact O-N 3.35Å; E51-V55 VanDerWaalsContact O-N 3.1Å; Y53-V55 PolarHBondContact O-N 2.9Å; V55-S57 VanDerWaalsContact C-N 3.33Å; V55-S57 PolarHBondContact O-N 2.76Å; V55-K61 HydrophobicContact CG1-CB 4.2Å; V55-K61 WeakPolarHBondContact O-CB 3.44Å; V55-K62 PolarHBondContact O-N 3.06Å; V55-Y65 HydrophobicContact CG1-CG 4.22Å; V55-L73 HydrophobicContact CB-CD2 4.16Å; V55-L73 HydrophobicContact CG1-CD2 3.42Å; V55-L73 VanDerWaalsContact CG1-CD2 3.42Å; V55-L73 HydrophobicContact CG2-CD2 3.58Å; V55-Y87 HydrophobicContact CG2-CD1 4.06Å; V55-Y87 HydrophobicContact CG2-CE1 3.36Å; V55-Y87 HydrophobicContact CG2-CE2 4.29Å; V55-Y87 VanDerWaalsContact CG2-CZ 3.49Å
56L92.7Very high90.8Very high1 Ų137.4 Ų37.41%0.00520%0.2CC..Hα-helixtrans-76.8-20.3-172.5-66.7177.1000113.2Y6 L9 I11 I20 A52 Y53 K62 Y65Y6-L56 HydrophobicContact CD1-CD1 4.13Å; Y6-L56 HydrophobicContact CD1-CD2 4.49Å; Y6-L56 HydrophobicContact CE1-CD1 4.22Å; Y6-L56 HydrophobicContact CE1-CD2 3.88Å; Y6-L56 HydrophobicContact CE2-CD2 3.98Å; Y6-L56 HydrophobicContact CG-CD1 4.48Å; L9-L56 HydrophobicContact CD1-CD1 3.79Å; I11-L56 HydrophobicContact CD1-CD1 4.36Å; I20-L56 HydrophobicContact CD1-CB 4.08Å; I20-L56 HydrophobicContact CG1-CB 4.43Å; I20-L56 HydrophobicContact CG2-CB 3.84Å; A52-L56 WeakPolarHBondContact O-CB 3.34Å; A52-L56 VanDerWaalsContact O-CG 3.3Å; A52-L56 WeakPolarHBondContact O-CG 3.39Å; A52-L56 PolarHBondContact O-N 3.17Å; Y53-L56 PolarHBondContact O-N 2.82Å; L56-K62 HydrophobicContact CD2-CG 4.15Å; L56-Y65 HydrophobicContact CD2-CD1 4.09Å; L56-Y65 HydrophobicContact CD2-CE1 4.38Å
57S87.6Confident90.8Very high27 Ų2745.7 Ų45.719%0.18923%0.231CC..Hα-helixtrans-75.4-31.3176610000113.4H17 Y53 D54 V55H17-S57 PolarHBondContact CE1-O 2.82Å; Y53-S57 WeakPolarHBondContact O-CB 3.28Å; Y53-S57 PolarHBondContact O-N 3.43Å; Y53-S57 PolarHBondContact O-OG 3.31Å; D54-S57 PolarHBondContact O-OG 3.07Å; V55-S57 VanDerWaalsContact C-N 3.33Å; V55-S57 PolarHBondContact O-N 2.76Å
58D87.6Confident90.7Very high60 Ų6047.4 Ų47.432%0.32123%0.234SC..SBendtrans-87.2116.3175.3-177.4-17.5000110.3K60 K61 K62D58-K60 PolarHBondContact O-N 2.8Å; D58-K60 VanDerWaalsContact O-N 3.12Å; D58-K60 WeakPolarHBondContact OD1-CB 3.34Å; D58-K60 PolarHBondContact OD1-N 2.91Å; D58-K61 HydrophobicContact CB-CB 4.06Å; D58-K61 HydrophobicContact CB-CD 3.92Å; D58-K61 HydrophobicContact CB-CG 3.92Å; D58-K61 PolarHBondContact O-N 3.01Å; D58-K61 VanDerWaalsContact O-N 3.13Å; D58-K62 WeakPolarHBondContact O-CB 3.44Å; D58-K62 PolarHBondContact O-N 3.01Å
59L88Confident90.6Very high136 Ų13647.8 Ų47.871%0.71224%0.24SC*.Hα-helixtrans-53-35.2179.2-64.8176.8000113.2A63L59-A63 WeakPolarHBondContact O-CB 3.34Å; L59-A63 PolarHBondContact O-N 2.9Å; L59-A63 VanDerWaalsContact O-N 3.1Å
60K87.6Confident90.5Very high165 Ų16549 Ų4972%0.71725%0.246SC*.Hα-helixtrans-72.4-48.6178.9-65.7-179-178.1176.80110.9D58 A63 I64D58-K60 PolarHBondContact O-N 2.8Å; D58-K60 VanDerWaalsContact O-N 3.12Å; D58-K60 WeakPolarHBondContact OD1-CB 3.34Å; D58-K60 PolarHBondContact OD1-N 2.91Å; K60-A63 PolarHBondContact O-N 2.91Å; K60-I64 WeakPolarHBondContact O-CG1 3.15Å; K60-I64 PolarHBondContact O-N 2.98Å
61K90.8Very high90.3Very high41 Ų4156 Ų5618%0.17828%0.278CS..Hα-helixtrans-64.1-43.9179-63.4-179.9-162.6163.60111D54 V55 D58 A63 I64 Y65 L73 Y87D54-K61 WeakPolarHBondContact O-CD 3.21Å; D54-K61 PolarHBondContact O-NZ 3.05Å; D54-K61 VanDerWaalsContact O-NZ 3.11Å; D54-K61 IonicContact OD1-NZ 2.93Å; D54-K61 PolarHBondContact OD1-NZ 3.41Å; D54-K61 IonicContact OD2-NZ 2.67Å; D54-K61 PolarHBondContact OD2-NZ 2.76Å; V55-K61 HydrophobicContact CG1-CB 4.2Å; V55-K61 WeakPolarHBondContact O-CB 3.44Å; D58-K61 HydrophobicContact CB-CB 4.06Å; D58-K61 HydrophobicContact CB-CD 3.92Å; D58-K61 HydrophobicContact CB-CG 3.92Å; D58-K61 PolarHBondContact O-N 3.01Å; D58-K61 VanDerWaalsContact O-N 3.13Å; K61-A63 VanDerWaalsContact C-N 3.35Å; K61-A63 PolarHBondContact O-N 3.36Å; K61-I64 PolarHBondContact O-N 2.9Å; K61-Y65 WeakPolarHBondContact O-CB 3.5Å; K61-Y65 PolarHBondContact O-N 2.96Å; K61-L73 HydrophobicContact CB-CD1 4.26Å; K61-Y87 HydrophobicContact CD-CD2 4.02Å; K61-Y87 HydrophobicContact CD-CE2 3.98Å
62K91.9Very high90Very high33 Ų3355.5 Ų55.514%0.14328%0.279CS..Hα-helixtrans-54.2-48.5173.2-176.7-179.1179.8-177.50111.6Y6 A15 I20 V55 L56 D58 I64 Y65 D66Y6-K62 WeakPolarHBondContact OH-CE 3.35Å; A15-K62 PolarHBondContact O-NZ 3.02Å; I20-K62 HydrophobicContact CD1-CD 4.41Å; V55-K62 PolarHBondContact O-N 3.06Å; L56-K62 HydrophobicContact CD2-CG 4.15Å; D58-K62 WeakPolarHBondContact O-CB 3.44Å; D58-K62 PolarHBondContact O-N 3.01Å; K62-I64 VanDerWaalsContact C-N 3.31Å; K62-I64 PolarHBondContact O-N 3.03Å; K62-Y65 PolarHBondContact O-N 2.76Å; K62-D66 WeakPolarHBondContact CG-OD2 3.2Å; K62-D66 WeakPolarHBondContact O-CB 3.4Å; K62-D66 PolarHBondContact O-N 3.05Å
63A89.2Confident89.7Confident55 Ų5555.7 Ų55.746%0.45528%0.28SS..Hα-helixtrans-63.1-34.7179.900000113.6L59 K60 K61 R67L59-A63 WeakPolarHBondContact O-CB 3.34Å; L59-A63 PolarHBondContact O-N 2.9Å; L59-A63 VanDerWaalsContact O-N 3.1Å; K60-A63 PolarHBondContact O-N 2.91Å; K61-A63 VanDerWaalsContact C-N 3.35Å; K61-A63 PolarHBondContact O-N 3.36Å; A63-R67 WeakPolarHBondContact O-CB 3.32Å; A63-R67 PolarHBondContact O-N 2.78Å
64I89.4Confident89.6Confident24 Ų2458.4 Ų58.412%0.12329%0.292CS..Hα-helixtrans-69.8-48.8175.5-63175.1000110K60 K61 K62 D66 R67 F68 L73 A77 I79 T84K60-I64 WeakPolarHBondContact O-CG1 3.15Å; K60-I64 PolarHBondContact O-N 2.98Å; K61-I64 PolarHBondContact O-N 2.9Å; K62-I64 VanDerWaalsContact C-N 3.31Å; K62-I64 PolarHBondContact O-N 3.03Å; I64-D66 VanDerWaalsContact C-N 3.34Å; I64-D66 PolarHBondContact O-N 3.1Å; I64-R67 PolarHBondContact O-N 3.05Å; I64-F68 HydrophobicContact CG2-CD2 4.21Å; I64-F68 PolarHBondContact O-N 2.89Å; I64-L73 HydrophobicContact CB-CD1 4.12Å; I64-L73 HydrophobicContact CG2-CB 4.45Å; I64-L73 HydrophobicContact CG2-CD1 4Å; I64-A77 HydrophobicContact CG2-CB 4.28Å; I64-I79 HydrophobicContact CD1-CD1 3.71Å; I64-I79 HydrophobicContact CG1-CD1 3.52Å; I64-T84 HydrophobicContact CD1-CG2 4.04Å
65Y91.9Very high89.3Confident17 Ų1759 Ų597%0.06731%0.306CS..Hα-helixtrans-59.8-42.8178.2177.8-100.8000112L3 D4 Y5 Y6 V55 L56 K61 K62 R67 G69 E70 L73L3-Y65 PolarHBondContact O-OH 3.17Å; D4-Y65 VanDerWaalsContact CA-OH 3.31Å; D4-Y65 WeakPolarHBondContact CA-OH 3.19Å; D4-Y65 PolarHBondContact OD1-OH 3.34Å; Y5-Y65 HydrophobicContact CD2-CD1 4.11Å; Y5-Y65 AromaticContact CD2-CD2 3.44Å; Y5-Y65 HydrophobicContact CD2-CD2 3.44Å; Y5-Y65 VanDerWaalsContact CD2-CD2 3.44Å; Y5-Y65 AromaticContact CD2-CE1 3.86Å; Y5-Y65 HydrophobicContact CD2-CE1 3.86Å; Y5-Y65 AromaticContact CD2-CE2 3.16Å; Y5-Y65 HydrophobicContact CD2-CE2 3.16Å; Y5-Y65 AromaticContact CD2-CG 3.91Å; Y5-Y65 HydrophobicContact CD2-CG 3.91Å; Y5-Y65 AromaticContact CD2-CZ 3.4Å; Y5-Y65 AromaticContact CE2-CD2 3.53Å; Y5-Y65 HydrophobicContact CE2-CD2 3.53Å; Y5-Y65 AromaticContact CE2-CE2 3.46Å; Y5-Y65 HydrophobicContact CE2-CE2 3.46Å; Y5-Y65 VanDerWaalsContact CE2-CE2 3.46Å; Y5-Y65 HydrophobicContact CE2-CG 4.29Å; Y5-Y65 HydrophobicContact CG-CE1 4.43Å; Y5-Y65 HydrophobicContact CG-CE2 4.06Å; Y5-Y65 AromaticContact CG-CZ 3.95Å; Y5-Y65 PolarHBondContact N-OH 2.76Å; Y6-Y65 AromaticContact CD2-CE1 3.79Å; Y6-Y65 HydrophobicContact CD2-CE1 3.79Å; Y6-Y65 AromaticContact CE2-CD1 3.99Å; Y6-Y65 HydrophobicContact CE2-CD1 3.99Å; Y6-Y65 AromaticContact CE2-CE1 3.6Å; Y6-Y65 HydrophobicContact CE2-CE1 3.6Å; V55-Y65 HydrophobicContact CG1-CG 4.22Å; L56-Y65 HydrophobicContact CD2-CD1 4.09Å; L56-Y65 HydrophobicContact CD2-CE1 4.38Å; K61-Y65 WeakPolarHBondContact O-CB 3.5Å; K61-Y65 PolarHBondContact O-N 2.96Å; K62-Y65 PolarHBondContact O-N 2.76Å; Y65-R67 PolarHBondContact O-N 3.07Å; Y65-G69 WeakPolarHBondContact O-CA 3.49Å; Y65-G69 PolarHBondContact O-N 3.24Å; Y65-E70 HydrophobicContact CE2-CB 4.22Å; Y65-L73 HydrophobicContact CD2-CD2 4.3Å
66D91.8Very high88.8Confident86 Ų8659.3 Ų59.346%0.4631%0.31SS..Hα-helixtrans-63.9-30178.4-71.4-16.8000112.5Y6 K62 I64Y6-D66 VanDerWaalsContact CE2-OD1 3.31Å; Y6-D66 WeakPolarHBondContact CE2-OD1 3.31Å; Y6-D66 VanDerWaalsContact OH-CG 3.32Å; Y6-D66 PolarHBondContact OH-OD1 3.02Å; Y6-D66 PolarHBondContact OH-OD2 3.19Å; K62-D66 WeakPolarHBondContact CG-OD2 3.2Å; K62-D66 WeakPolarHBondContact O-CB 3.4Å; K62-D66 PolarHBondContact O-N 3.05Å; I64-D66 VanDerWaalsContact C-N 3.34Å; I64-D66 PolarHBondContact O-N 3.1Å
67R89.3Confident88.3Confident177 Ų17759.3 Ų59.367%0.66831%0.31SS*.Hα-helixtrans-88.6-39.2-178.5-171.7177.8-65.2-174.91.3113.3A63 I64 Y65A63-R67 WeakPolarHBondContact O-CB 3.32Å; A63-R67 PolarHBondContact O-N 2.78Å; I64-R67 PolarHBondContact O-N 3.05Å; Y65-R67 PolarHBondContact O-N 3.07Å
68F88.8Confident87.7Confident74 Ų7461.6 Ų61.633%0.32532%0.324SS..Hα-helixtrans-123.4-1.7-169.3-56.6-78.4000114.4I64 G72 A77 P78 I79I64-F68 HydrophobicContact CG2-CD2 4.21Å; I64-F68 PolarHBondContact O-N 2.89Å; F68-G72 PolarHBondContact O-N 3.17Å; F68-A77 HydrophobicContact CB-CB 4.38Å; F68-A77 HydrophobicContact CD1-CB 4.25Å; F68-A77 HydrophobicContact CD2-CB 3.38Å; F68-A77 HydrophobicContact CE1-CB 4.35Å; F68-A77 HydrophobicContact CE2-CB 3.49Å; F68-A77 VanDerWaalsContact CE2-CB 3.49Å; F68-A77 HydrophobicContact CG-CB 3.78Å; F68-A77 HydrophobicContact CZ-CB 3.99Å; F68-P78 HydrophobicContact CZ-CG 4.45Å; F68-I79 HydrophobicContact CE2-CG1 4.43Å
69G90.2Very high87Confident29 Ų2961.2 Ų61.230%0.29932%0.321SS..Hα-helixtrans68.3-168.1-174.600000113.5Y65 E71 G72 L73Y65-G69 WeakPolarHBondContact O-CA 3.49Å; Y65-G69 PolarHBondContact O-N 3.24Å; G69-E71 VanDerWaalsContact C-N 3.32Å; G69-E71 PolarHBondContact O-N 3.26Å; G69-G72 PolarHBondContact O-N 2.87Å; G69-L73 PolarHBondContact O-N 3.44Å; G69-L73 VanDerWaalsContact O-N 3.15Å
70E90.4Very high86.3Confident31 Ų3161.9 Ų61.915%0.14533%0.326CS..Hα-helixtrans-61.8-40.4178.2-171.8-169.1-177.700112G2 L3 Y65 G72 L73 K74G2-E70 WeakPolarHBondContact CA-OE2 3.48Å; L3-E70 PolarHBondContact N-OE2 2.91Å; Y65-E70 HydrophobicContact CE2-CB 4.22Å; E70-G72 VanDerWaalsContact C-N 3.33Å; E70-G72 PolarHBondContact O-N 3.35Å; E70-L73 PolarHBondContact O-N 2.83Å; E70-L73 VanDerWaalsContact O-N 3.12Å; E70-K74 HydrophobicContact CG-CD 3.87Å; E70-K74 HydrophobicContact CG-CG 4.2Å; E70-K74 PolarHBondContact O-N 3.06Å; E70-K74 WeakPolarHBondContact OE1-CD 3.11Å; E70-K74 WeakPolarHBondContact OE1-CE 3.14Å; E70-K74 IonicContact OE1-NZ 3.42Å; E70-K74 PolarHBondContact OE1-NZ 2.98Å
71E86.6Confident85.7Confident146 Ų14660.4 Ų60.468%0.68234%0.336SS*.Hα-helixtrans-60.5-41.6-177.9-69.2178.1-175.800111.5G69 G75G69-E71 VanDerWaalsContact C-N 3.32Å; G69-E71 PolarHBondContact O-N 3.26Å; E71-G75 VanDerWaalsContact O-CA 3.31Å; E71-G75 WeakPolarHBondContact O-CA 3.05Å; E71-G75 PolarHBondContact O-N 3.04Å
72G86.4Confident85.1Confident12 Ų1265.9 Ų65.912%0.12436%0.362CS..Hα-helixtrans-76.4-26.9175.200000114.2F68 G69 E70 G76 A77F68-G72 PolarHBondContact O-N 3.17Å; G69-G72 PolarHBondContact O-N 2.87Å; E70-G72 VanDerWaalsContact C-N 3.33Å; E70-G72 PolarHBondContact O-N 3.35Å; G72-G76 CarbonylContact O-C 3.57Å; G72-G76 VanDerWaalsContact O-CA 3.27Å; G72-G76 WeakPolarHBondContact O-CA 3.2Å; G72-G76 PolarHBondContact O-N 3.34Å; G72-G76 VanDerWaalsContact O-N 3.13Å; G72-A77 PolarHBondContact O-N 2.79Å
73L88.6Confident84.5Confident5 Ų572.5 Ų72.53%0.02639%0.387CS..Hα-helixtrans-70.7-48174.9-176.368.9000111.2Y5 V55 K61 I64 Y65 G69 E70 Y87Y5-L73 HydrophobicContact CE2-CD2 3.92Å; V55-L73 HydrophobicContact CB-CD2 4.16Å; V55-L73 HydrophobicContact CG1-CD2 3.42Å; V55-L73 VanDerWaalsContact CG1-CD2 3.42Å; V55-L73 HydrophobicContact CG2-CD2 3.58Å; K61-L73 HydrophobicContact CB-CD1 4.26Å; I64-L73 HydrophobicContact CB-CD1 4.12Å; I64-L73 HydrophobicContact CG2-CB 4.45Å; I64-L73 HydrophobicContact CG2-CD1 4Å; Y65-L73 HydrophobicContact CD2-CD2 4.3Å; G69-L73 PolarHBondContact O-N 3.44Å; G69-L73 VanDerWaalsContact O-N 3.15Å; E70-L73 PolarHBondContact O-N 2.83Å; E70-L73 VanDerWaalsContact O-N 3.12Å; L73-Y87 HydrophobicContact CD1-CG 4.37Å; L73-Y87 HydrophobicContact CD2-CD1 3.72Å; L73-Y87 HydrophobicContact CD2-CE1 4.26Å; L73-Y87 HydrophobicContact CD2-CG 4.22Å; L73-Y87 HydrophobicContact CG-CD1 3.91Å; L73-Y87 HydrophobicContact CG-CG 4.04Å; L73-Y87 WeakPolarHBondContact O-CB 3.48Å; L73-Y87 PolarHBondContact O-N 2.68Å
74K89.2Confident84.2Confident74 Ų7471.4 Ų71.432%0.32237%0.374SS..Hα-helixtrans-83.4-30.3-178.5-67.8-173.2176.8174.70113.6E51 E70 P86 Y87E51-K74 WeakPolarHBondContact OE1-CE 3.5Å; E51-K74 IonicContact OE1-NZ 3.06Å; E51-K74 PolarHBondContact OE1-NZ 2.75Å; E51-K74 IonicContact OE2-NZ 3.84Å; E70-K74 HydrophobicContact CG-CD 3.87Å; E70-K74 HydrophobicContact CG-CG 4.2Å; E70-K74 PolarHBondContact O-N 3.06Å; E70-K74 WeakPolarHBondContact OE1-CD 3.11Å; E70-K74 WeakPolarHBondContact OE1-CE 3.14Å; E70-K74 IonicContact OE1-NZ 3.42Å; E70-K74 PolarHBondContact OE1-NZ 2.98Å; K74-P86 WeakPolarHBondContact O-CB 3.27Å; K74-Y87 HydrophobicContact CG-CD1 4.39Å
75G84.7Confident83.9Confident45 Ų4579.5 Ų79.546%0.46441%0.409SS..Hα-helixtrans-84.6-14175.500000114.1E71E71-G75 VanDerWaalsContact O-CA 3.31Å; E71-G75 WeakPolarHBondContact O-CA 3.05Å; E71-G75 PolarHBondContact O-N 3.04Å
76G82.7Confident83.6Confident8 Ų882.1 Ų82.18%0.08243%0.428CS..  trans82.2150.9-166.600000111.4G72 W83G72-G76 CarbonylContact O-C 3.57Å; G72-G76 VanDerWaalsContact O-CA 3.27Å; G72-G76 WeakPolarHBondContact O-CA 3.2Å; G72-G76 PolarHBondContact O-N 3.34Å; G72-G76 VanDerWaalsContact O-N 3.13Å; G76-W83 WeakPolarHBondContact O-CZ2 3.35Å
77A81Confident83.4Confident1 Ų179.1 Ų79.11%0.00841%0.41CS..  trans-136.6149.3-175.600000111I64 F68 G72 I79 T84I64-A77 HydrophobicContact CG2-CB 4.28Å; F68-A77 HydrophobicContact CB-CB 4.38Å; F68-A77 HydrophobicContact CD1-CB 4.25Å; F68-A77 HydrophobicContact CD2-CB 3.38Å; F68-A77 HydrophobicContact CE1-CB 4.35Å; F68-A77 HydrophobicContact CE2-CB 3.49Å; F68-A77 VanDerWaalsContact CE2-CB 3.49Å; F68-A77 HydrophobicContact CG-CB 3.78Å; F68-A77 HydrophobicContact CZ-CB 3.99Å; G72-A77 PolarHBondContact O-N 2.79Å; A77-I79 PolarHBondContact O-N 3.4Å; A77-T84 PolarHBondContact N-OG1 3.41Å; A77-T84 PolarHBondContact O-N 2.79Å; A77-T84 PolarHBondContact O-OG1 2.89Å; A77-T84 VanDerWaalsContact O-OG1 3.07Å
78P75.6Confident83.2Confident75 Ų7576.6 Ų76.649%0.48741%0.414SS..EExtended strand (participates in β ladder)trans-72.9117.2174.729.2-32.7000110.4F68F68-P78 HydrophobicContact CZ-CG 4.45Å
79I73.6Confident83.2Confident51 Ų5174.1 Ų74.126%0.26240%0.403SS..EExtended strand (participates in β ladder)trans-126.8122.9172.8-59.4179.1000108.5I64 F68 A77 S81 E82 T84I64-I79 HydrophobicContact CD1-CD1 3.71Å; I64-I79 HydrophobicContact CG1-CD1 3.52Å; F68-I79 HydrophobicContact CE2-CG1 4.43Å; A77-I79 PolarHBondContact O-N 3.4Å; I79-S81 VanDerWaalsContact C-N 3.28Å; I79-S81 PolarHBondContact O-N 2.79Å; I79-E82 PolarHBondContact N-O 2.85Å; I79-E82 PolarHBondContact O-N 3.43Å; I79-T84 HydrophobicContact CB-CG2 4.1Å; I79-T84 HydrophobicContact CD1-CG2 3.31Å; I79-T84 HydrophobicContact CG1-CG2 3.78Å
80N72.7Confident82.8Confident150 Ų15076.4 Ų76.480%0.80241%0.406SS*.THydrogen-bonded Turntrans42.752.6177.5-68.3-3.7000113.3E82N80-E82 PolarHBondContact O-N 2.83Å; N80-E82 VanDerWaalsContact O-N 3.15Å
81S74.6Confident82.4Confident135 Ų13577.5 Ų77.594%0.94443%0.425SS*.THydrogen-bonded Turntrans70.9-1.2177.7-37.80000115.9I79I79-S81 VanDerWaalsContact C-N 3.28Å; I79-S81 PolarHBondContact O-N 2.79Å
82E78.9Confident82.2Confident155 Ų15574.2 Ų74.272%0.72441%0.412SS*.EExtended strand (participates in β ladder)trans-110145.3175.3-71.7-179.4177.300111.3I79 N80I79-E82 PolarHBondContact N-O 2.85Å; I79-E82 PolarHBondContact O-N 3.43Å; N80-E82 PolarHBondContact O-N 2.83Å; N80-E82 VanDerWaalsContact O-N 3.15Å
83W79.2Confident82.2Confident173 Ų17374.2 Ų74.266%0.65541%0.411SS*.EExtended strand (participates in β ladder)trans-85.2119.5173.9-164.3-92.3000109.4G76G76-W83 WeakPolarHBondContact O-CZ2 3.35Å
84T82.2Confident82Confident31 Ų3177.1 Ų77.119%0.1942%0.424CS..PPolyproline II helixtrans-67.3146.7176.9540000111.5I64 A77 I79I64-T84 HydrophobicContact CD1-CG2 4.04Å; A77-T84 PolarHBondContact N-OG1 3.41Å; A77-T84 PolarHBondContact O-N 2.79Å; A77-T84 PolarHBondContact O-OG1 2.89Å; A77-T84 VanDerWaalsContact O-OG1 3.07Å; I79-T84 HydrophobicContact CB-CG2 4.1Å; I79-T84 HydrophobicContact CD1-CG2 3.31Å; I79-T84 HydrophobicContact CG1-CG2 3.78Å
85K83.3Confident81.7Confident194 Ų19479 Ų7984%0.84343%0.432SS*.PPolyproline II helixtrans-63130.4173.6-68.3-177.1-179.9179.80109.3Y87K85-Y87 PolarHBondContact O-N 3.48Å
86P86.3Confident81.6Confident73 Ų7377.2 Ų77.247%0.47441%0.413SS..PPolyproline II helixtrans-46.8124.1170.1-34.540.2000111.9K74 V88K74-P86 WeakPolarHBondContact O-CB 3.27Å; P86-V88 PolarHBondContact O-N 2.81Å
87Y86.8Confident81.7Confident23 Ų2376.8 Ų76.89%0.0941%0.409CS..PPolyproline II helixtrans-72.5127170.1169.8-107.2000109.4E51 D54 V55 K61 L73 K74 K85 Y89E51-Y87 HydrophobicContact CG-CE1 4.3Å; D54-Y87 VanDerWaalsContact OD2-CE2 3.31Å; D54-Y87 WeakPolarHBondContact OD2-CE2 3.45Å; D54-Y87 PolarHBondContact OD2-OH 3.29Å; V55-Y87 HydrophobicContact CG2-CD1 4.06Å; V55-Y87 HydrophobicContact CG2-CE1 3.36Å; V55-Y87 HydrophobicContact CG2-CE2 4.29Å; V55-Y87 VanDerWaalsContact CG2-CZ 3.49Å; K61-Y87 HydrophobicContact CD-CD2 4.02Å; K61-Y87 HydrophobicContact CD-CE2 3.98Å; L73-Y87 HydrophobicContact CD1-CG 4.37Å; L73-Y87 HydrophobicContact CD2-CD1 3.72Å; L73-Y87 HydrophobicContact CD2-CE1 4.26Å; L73-Y87 HydrophobicContact CD2-CG 4.22Å; L73-Y87 HydrophobicContact CG-CD1 3.91Å; L73-Y87 HydrophobicContact CG-CG 4.04Å; L73-Y87 WeakPolarHBondContact O-CB 3.48Å; L73-Y87 PolarHBondContact O-N 2.68Å; K74-Y87 HydrophobicContact CG-CD1 4.39Å; K85-Y87 PolarHBondContact O-N 3.48Å; Y87-Y89 VanDerWaalsContact OH-CD2 3.3Å; Y87-Y89 WeakPolarHBondContact OH-CD2 3.4Å
88V86.4Confident81.6Confident123 Ų12380.8 Ų80.875%0.74543%0.428SS*.  trans-124.2119.2171-178.40000106.7P86P86-V88 PolarHBondContact O-N 2.81Å
89Y87.2Confident81.7Confident23 Ų2381.6 Ų81.69%0.0944%0.435CS..  trans-61.6138.9173.1-177.1-126.3000109.4S50 E51 D54 Y87 G91 A93 T96S50-Y89 WeakPolarHBondContact CB-OH 3.49Å; E51-Y89 HydrophobicContact CB-CD1 3.97Å; E51-Y89 HydrophobicContact CB-CD2 4.1Å; E51-Y89 HydrophobicContact CB-CE1 4.11Å; E51-Y89 HydrophobicContact CB-CE2 4.23Å; E51-Y89 HydrophobicContact CB-CG 3.95Å; E51-Y89 HydrophobicContact CG-CD1 4.24Å; E51-Y89 HydrophobicContact CG-CD2 4.12Å; E51-Y89 HydrophobicContact CG-CG 3.84Å; D54-Y89 HydrophobicContact CB-CD2 4.39Å; D54-Y89 HydrophobicContact CB-CE2 4.16Å; Y87-Y89 VanDerWaalsContact OH-CD2 3.3Å; Y87-Y89 WeakPolarHBondContact OH-CD2 3.4Å; Y89-G91 PolarHBondContact O-N 3.01Å; Y89-A93 WeakPolarHBondContact OH-CA 3.42Å; Y89-T96 PolarHBondContact OH-OG1 3.27Å
90H83.2Confident82.1Confident77 Ų7779.4 Ų79.436%0.35642%0.424SS..  trans-68.3-2.6-176.252.876.8000113.9D92 T96H90-D92 PolarHBondContact CE1-O 3.49Å; H90-D92 PolarHBondContact ND1-N 2.86Å; H90-D92 PolarHBondContact ND1-O 2.82Å; H90-D92 VanDerWaalsContact ND1-O 3.16Å; H90-D92 PolarHBondContact O-N 2.8Å; H90-T96 PolarHBondContact CE1-OG1 2.9Å; H90-T96 PolarHBondContact NE2-OG1 2.81Å
91G80.9Confident82.4Confident54 Ų5472.8 Ų72.856%0.55739%0.388SS*.SBendtrans78.2-19.6173.300000114.7Y89Y89-G91 PolarHBondContact O-N 3.01Å
92D83.9Confident82.2Confident77 Ų7768.9 Ų68.941%0.41237%0.369SS..  trans-93.595.4179.2-175.4-6.7000112.2H90 H94 K95H90-D92 PolarHBondContact CE1-O 3.49Å; H90-D92 PolarHBondContact ND1-N 2.86Å; H90-D92 PolarHBondContact ND1-O 2.82Å; H90-D92 VanDerWaalsContact ND1-O 3.16Å; H90-D92 PolarHBondContact O-N 2.8Å; D92-H94 VanDerWaalsContact C-N 3.26Å; D92-H94 PolarHBondContact O-N 2.85Å; D92-H94 WeakPolarHBondContact OD1-CA 3.22Å; D92-H94 VanDerWaalsContact OD1-CB 3.25Å; D92-H94 WeakPolarHBondContact OD1-CB 3.5Å; D92-H94 PolarHBondContact OD1-N 2.89Å; D92-K95 HydrophobicContact CB-CB 3.91Å; D92-K95 WeakPolarHBondContact O-CB 3.16Å; D92-K95 PolarHBondContact O-N 2.85Å; D92-K95 VanDerWaalsContact O-N 3.16Å; D92-K95 PolarHBondContact OD1-N 2.67Å
93A85.6Confident81.6Confident12 Ų1264.2 Ų64.210%0.09935%0.351CS..Hα-helixtrans-61.8-31.6175.800000113.7F46 Y89 K95 T96 F97F46-A93 HydrophobicContact CD1-CB 3.43Å; F46-A93 VanDerWaalsContact CD1-CB 3.43Å; F46-A93 HydrophobicContact CE1-CB 3.55Å; F46-A93 HydrophobicContact CG-CB 4.45Å; Y89-A93 WeakPolarHBondContact OH-CA 3.42Å; A93-K95 VanDerWaalsContact C-N 3.29Å; A93-K95 PolarHBondContact O-N 2.55Å; A93-T96 PolarHBondContact O-N 2.86Å; A93-F97 WeakPolarHBondContact O-CB 3.29Å; A93-F97 PolarHBondContact O-N 2.83Å
94H83.3Confident80.8Confident65 Ų6560.7 Ų60.730%0.30135%0.345SS..Hα-helixtrans-63.8-36.7175-96.5-95.3000111.3D92 T96 F97 M98 D104D92-H94 VanDerWaalsContact C-N 3.26Å; D92-H94 PolarHBondContact O-N 2.85Å; D92-H94 WeakPolarHBondContact OD1-CA 3.22Å; D92-H94 VanDerWaalsContact OD1-CB 3.25Å; D92-H94 WeakPolarHBondContact OD1-CB 3.5Å; D92-H94 PolarHBondContact OD1-N 2.89Å; H94-T96 PolarHBondContact O-N 2.84Å; H94-F97 WeakPolarHBondContact O-CB 3.27Å; H94-F97 PolarHBondContact O-N 2.93Å; H94-M98 WeakPolarHBondContact O-CB 3.26Å; H94-M98 WeakPolarHBondContact O-CG 3.18Å; H94-M98 PolarHBondContact O-N 2.88Å; H94-D104 IonicContact CE1-OD1 2.92Å; H94-D104 IonicContact ND1-OD1 3.81Å; H94-D104 PolarHBondContact ND1-OD1 2.95Å
95K83.2Confident79.8Confident113 Ų11361.1 Ų61.149%0.49135%0.347SS..Hα-helixtrans-62.5-42.9175.4-176.1-179179.2-175.20112.7D92 A93 F97 S99D92-K95 HydrophobicContact CB-CB 3.91Å; D92-K95 WeakPolarHBondContact O-CB 3.16Å; D92-K95 PolarHBondContact O-N 2.85Å; D92-K95 VanDerWaalsContact O-N 3.16Å; D92-K95 PolarHBondContact OD1-N 2.67Å; A93-K95 VanDerWaalsContact C-N 3.29Å; A93-K95 PolarHBondContact O-N 2.55Å; K95-F97 VanDerWaalsContact C-N 3.31Å; K95-S99 VanDerWaalsContact O-CB 3.27Å; K95-S99 WeakPolarHBondContact O-CB 3.43Å; K95-S99 PolarHBondContact O-N 2.76Å
96T83.9Confident78.5Confident8 Ų852.1 Ų52.15%0.04931%0.308CS..Hα-helixtrans-63-44175.9-51.50000110.4Y53 Y89 H90 A93 H94 S99 F100Y53-T96 HydrophobicContact CD1-CG2 3.86Å; Y89-T96 PolarHBondContact OH-OG1 3.27Å; H90-T96 PolarHBondContact CE1-OG1 2.9Å; H90-T96 PolarHBondContact NE2-OG1 2.81Å; A93-T96 PolarHBondContact O-N 2.86Å; H94-T96 PolarHBondContact O-N 2.84Å; T96-S99 WeakPolarHBondContact O-CB 3.34Å; T96-S99 PolarHBondContact O-N 3.06Å; T96-F100 WeakPolarHBondContact O-CB 3.24Å; T96-F100 PolarHBondContact O-N 2.7Å
97F84.2Confident77.1Confident0 Ų051.8 Ų51.80%030%0.299CS..Hα-helixtrans-63.2-49.8178.6-178.1-90.3000112.6A28 H32 F46 A93 H94 K95 S99 F100 F101 P106A28-F97 HydrophobicContact CB-CD2 4.1Å; A28-F97 HydrophobicContact CB-CE2 4.23Å; H32-F97 AromaticContact CD2-CE1 3.88Å; H32-F97 AromaticContact CD2-CE2 3.51Å; H32-F97 AromaticContact CD2-CZ 3.3Å; H32-F97 WeakPolarHBondContact CD2-CZ 3.38Å; H32-F97 AromaticContact NE2-CE1 3.68Å; H32-F97 AromaticContact NE2-CZ 3.56Å; F46-F97 HydrophobicContact CE2-CB 4.49Å; F46-F97 AromaticContact CE2-CD2 3.67Å; F46-F97 HydrophobicContact CE2-CD2 3.67Å; F46-F97 HydrophobicContact CE2-CE2 4.16Å; F46-F97 HydrophobicContact CE2-CG 4.35Å; F46-F97 HydrophobicContact CZ-CB 3.69Å; F46-F97 AromaticContact CZ-CD2 3.59Å; F46-F97 HydrophobicContact CZ-CD2 3.59Å; F46-F97 HydrophobicContact CZ-CE2 4.31Å; F46-F97 AromaticContact CZ-CG 3.8Å; F46-F97 HydrophobicContact CZ-CG 3.8Å; A93-F97 WeakPolarHBondContact O-CB 3.29Å; A93-F97 PolarHBondContact O-N 2.83Å; H94-F97 WeakPolarHBondContact O-CB 3.27Å; H94-F97 PolarHBondContact O-N 2.93Å; K95-F97 VanDerWaalsContact C-N 3.31Å; F97-S99 VanDerWaalsContact C-N 3.27Å; F97-S99 PolarHBondContact O-N 2.83Å; F97-F100 CarbonylContact O-C 3.06Å; F97-F100 PolarHBondContact O-N 2.6Å; F97-F101 AromaticContact CD1-CD2 3.96Å; F97-F101 HydrophobicContact CD1-CD2 3.96Å; F97-F101 AromaticContact CD2-CD2 3.38Å; F97-F101 HydrophobicContact CD2-CD2 3.38Å; F97-F101 AromaticContact CD2-CE2 3.38Å; F97-F101 HydrophobicContact CD2-CE2 3.38Å; F97-F101 HydrophobicContact CE1-CB 4.46Å; F97-F101 AromaticContact CE1-CD2 3.89Å; F97-F101 HydrophobicContact CE1-CD2 3.89Å; F97-F101 HydrophobicContact CE1-CG 4.37Å; F97-F101 AromaticContact CE2-CD2 3.31Å; F97-F101 HydrophobicContact CE2-CD2 3.31Å; F97-F101 AromaticContact CE2-CE2 3.17Å; F97-F101 HydrophobicContact CE2-CE2 3.17Å; F97-F101 HydrophobicContact CE2-CG 4.31Å; F97-F101 HydrophobicContact CE2-CZ 4.08Å; F97-F101 AromaticContact CG-CD2 3.74Å; F97-F101 HydrophobicContact CG-CD2 3.74Å; F97-F101 HydrophobicContact CG-CE2 4.21Å; F97-F101 AromaticContact CZ-CD2 3.61Å; F97-F101 HydrophobicContact CZ-CD2 3.61Å; F97-F101 AromaticContact CZ-CE2 3.87Å; F97-F101 HydrophobicContact CZ-CE2 3.87Å; F97-F101 HydrophobicContact CZ-CG 4.22Å; F97-F101 WeakPolarHBondContact O-CD2 3.45Å; F97-F101 PolarHBondContact O-N 3.15Å; F97-P106 HydrophobicContact CE1-CG 4.19Å; F97-P106 VanDerWaalsContact CZ-CD 3.44Å; F97-P106 HydrophobicContact CZ-CG 3.54Å
98M78.7Confident75.6Confident85 Ų8556.6 Ų56.642%0.41933%0.326SS..Hα-helixtrans-60.7-38.3174.2-74.7-164.3-50.900111.3H94 F100 G102H94-M98 WeakPolarHBondContact O-CB 3.26Å; H94-M98 WeakPolarHBondContact O-CG 3.18Å; H94-M98 PolarHBondContact O-N 2.88Å; M98-F100 PolarHBondContact O-N 2.84Å; M98-G102 WeakPolarHBondContact O-CA 3.49Å; M98-G102 PolarHBondContact O-N 2.98Å
99S77.4Confident73.9Confident91 Ų9158 Ų5864%0.63632%0.318SS*.Hα-helixtrans-64.2-30.3175-172.40000112.2K95 T96 F97K95-S99 VanDerWaalsContact O-CB 3.27Å; K95-S99 WeakPolarHBondContact O-CB 3.43Å; K95-S99 PolarHBondContact O-N 2.76Å; T96-S99 WeakPolarHBondContact O-CB 3.34Å; T96-S99 PolarHBondContact O-N 3.06Å; F97-S99 VanDerWaalsContact C-N 3.27Å; F97-S99 PolarHBondContact O-N 2.83Å
100F81.8Confident72Confident6 Ų659.8 Ų59.83%0.02633%0.327CS..Hα-helixtrans-86.6-45.2-179.3-176.1-92.7000113.8C21 Y24 R25 Y53 T96 F97 M98 G127C21-F100 HydrophobicContact CB-CE2 4.18Å; C21-F100 HydrophobicContact CB-CZ 4.46Å; C21-F100 WeakPolarHBondContact O-CZ 3.3Å; Y24-F100 HydrophobicContact CD1-CB 4.39Å; Y24-F100 HydrophobicContact CD1-CD1 4.01Å; Y24-F100 AromaticContact CD1-CD2 3.7Å; Y24-F100 HydrophobicContact CD1-CD2 3.7Å; Y24-F100 HydrophobicContact CD1-CE1 4.16Å; Y24-F100 AromaticContact CD1-CE2 3.86Å; Y24-F100 HydrophobicContact CD1-CE2 3.86Å; Y24-F100 AromaticContact CD1-CG 3.76Å; Y24-F100 HydrophobicContact CD1-CG 3.76Å; Y24-F100 HydrophobicContact CD1-CZ 4.08Å; Y24-F100 HydrophobicContact CE1-CB 3.8Å; Y24-F100 HydrophobicContact CE1-CD1 4.03Å; Y24-F100 AromaticContact CE1-CD2 3.99Å; Y24-F100 HydrophobicContact CE1-CD2 3.99Å; Y24-F100 AromaticContact CE1-CG 3.66Å; Y24-F100 HydrophobicContact CE1-CG 3.66Å; R25-F100 HydrophobicContact CB-CE1 3.82Å; R25-F100 HydrophobicContact CB-CZ 3.94Å; R25-F100 HydrophobicContact CG-CE1 4.19Å; Y53-F100 HydrophobicContact CD1-CD2 4.41Å; Y53-F100 HydrophobicContact CE1-CB 4.45Å; Y53-F100 AromaticContact CE1-CD2 3.56Å; Y53-F100 HydrophobicContact CE1-CD2 3.56Å; Y53-F100 HydrophobicContact CE1-CE2 4.26Å; Y53-F100 HydrophobicContact CE1-CG 4.41Å; Y53-F100 HydrophobicContact CE2-CD2 4.03Å; Y53-F100 AromaticContact CE2-CE2 3.87Å; Y53-F100 HydrophobicContact CE2-CE2 3.87Å; Y53-F100 AromaticContact CZ-CD2 3.34Å; Y53-F100 AromaticContact CZ-CE2 3.61Å; Y53-F100 VanDerWaalsContact OH-CD2 3.27Å; Y53-F100 WeakPolarHBondContact OH-CD2 3.37Å; Y53-F100 WeakPolarHBondContact OH-CE2 3.38Å; T96-F100 WeakPolarHBondContact O-CB 3.24Å; T96-F100 PolarHBondContact O-N 2.7Å; F97-F100 CarbonylContact O-C 3.06Å; F97-F100 PolarHBondContact O-N 2.6Å; M98-F100 PolarHBondContact O-N 2.84Å; F100-G127 CarbonylContact C-O 3.31Å; F100-G127 VanDerWaalsContact CA-O 3.26Å; F100-G127 WeakPolarHBondContact CA-O 3.27Å; F100-G127 CarbonylContact O-C 3.59Å
101F79.3Confident70.2Confident10 Ų1064.6 Ų64.64%0.04435%0.349CS..Hα-helixtrans-91.4-25.9-176.6-73-81.1000112.8R25 A28 L29 F97 T103 P106 F122R25-F101 HydrophobicContact CG-CE1 4.15Å; R25-F101 HydrophobicContact CG-CZ 4.13Å; A28-F101 HydrophobicContact CB-CE2 4.01Å; A28-F101 HydrophobicContact CB-CZ 4.43Å; L29-F101 HydrophobicContact CD1-CE1 4.42Å; L29-F101 HydrophobicContact CD1-CZ 4.47Å; L29-F101 HydrophobicContact CD2-CE1 4.03Å; L29-F101 HydrophobicContact CD2-CZ 3.96Å; L29-F101 HydrophobicContact CG-CE1 4.21Å; L29-F101 HydrophobicContact CG-CZ 3.9Å; F97-F101 AromaticContact CD1-CD2 3.96Å; F97-F101 HydrophobicContact CD1-CD2 3.96Å; F97-F101 AromaticContact CD2-CD2 3.38Å; F97-F101 HydrophobicContact CD2-CD2 3.38Å; F97-F101 AromaticContact CD2-CE2 3.38Å; F97-F101 HydrophobicContact CD2-CE2 3.38Å; F97-F101 HydrophobicContact CE1-CB 4.46Å; F97-F101 AromaticContact CE1-CD2 3.89Å; F97-F101 HydrophobicContact CE1-CD2 3.89Å; F97-F101 HydrophobicContact CE1-CG 4.37Å; F97-F101 AromaticContact CE2-CD2 3.31Å; F97-F101 HydrophobicContact CE2-CD2 3.31Å; F97-F101 AromaticContact CE2-CE2 3.17Å; F97-F101 HydrophobicContact CE2-CE2 3.17Å; F97-F101 HydrophobicContact CE2-CG 4.31Å; F97-F101 HydrophobicContact CE2-CZ 4.08Å; F97-F101 AromaticContact CG-CD2 3.74Å; F97-F101 HydrophobicContact CG-CD2 3.74Å; F97-F101 HydrophobicContact CG-CE2 4.21Å; F97-F101 AromaticContact CZ-CD2 3.61Å; F97-F101 HydrophobicContact CZ-CD2 3.61Å; F97-F101 AromaticContact CZ-CE2 3.87Å; F97-F101 HydrophobicContact CZ-CE2 3.87Å; F97-F101 HydrophobicContact CZ-CG 4.22Å; F97-F101 WeakPolarHBondContact O-CD2 3.45Å; F97-F101 PolarHBondContact O-N 3.15Å; F101-T103 VanDerWaalsContact C-N 3.26Å; F101-T103 PolarHBondContact O-N 3.18Å; F101-P106 HydrophobicContact CD1-CB 4.05Å; F101-P106 HydrophobicContact CE1-CB 4.48Å; F101-P106 HydrophobicContact CG-CB 4.47Å; F101-F122 AromaticContact CD1-CE1 3.62Å; F101-F122 HydrophobicContact CD1-CE1 3.62Å; F101-F122 AromaticContact CD1-CZ 3.97Å; F101-F122 HydrophobicContact CD1-CZ 3.97Å; F101-F122 HydrophobicContact CE1-CE1 4.12Å
102G70.4Confident68.4Low53 Ų5371.4 Ų71.455%0.54637%0.366SS..SBendtrans80.6-2.6-176.600000114.9M98M98-G102 WeakPolarHBondContact O-CA 3.49Å; M98-G102 PolarHBondContact O-N 2.98Å
103T67.4Low66.3Low57 Ų5774.8 Ų74.835%0.3538%0.38SS..SBendtrans-137.4160.1178.562.90000111F101 N105F101-T103 VanDerWaalsContact C-N 3.26Å; F101-T103 PolarHBondContact O-N 3.18Å; T103-N105 PolarHBondContact OG1-O 2.87Å
104D61.2Low64.1Low100 Ų10083.1 Ų83.154%0.53542%0.419SS..SBendtrans-80.2-24.7177-16021.2000112.3H94H94-D104 IonicContact CE1-OD1 2.92Å; H94-D104 IonicContact ND1-OD1 3.81Å; H94-D104 PolarHBondContact ND1-OD1 2.95Å
105N60.6Low61.7Low40 Ų4082.8 Ų82.821%0.21443%0.433CS..  trans-130.3109.3173.1-166.65.4000109.9T103 F107 D108T103-N105 PolarHBondContact OG1-O 2.87Å; N105-F107 PolarHBondContact O-N 2.66Å; N105-F107 WeakPolarHBondContact OD1-CB 3.41Å; N105-F107 WeakPolarHBondContact OD1-CD2 3.47Å; N105-F107 PolarHBondContact OD1-N 2.8Å; N105-F107 VanDerWaalsContact OD1-N 3.15Å; N105-D108 HydrophobicContact CB-CB 4.49Å; N105-D108 PolarHBondContact ND2-OD1 2.82Å; N105-D108 PolarHBondContact ND2-OD2 2.78Å
106P56.7Low59.7Low4 Ų483 Ų833%0.02645%0.449CS..SBendtrans-72.7-20.3173.831.7-36.5000111.1L29 F97 F101 F110L29-P106 HydrophobicContact CD2-CB 4.08Å; L29-P106 HydrophobicContact CD2-CG 3.51Å; F97-P106 HydrophobicContact CE1-CG 4.19Å; F97-P106 VanDerWaalsContact CZ-CD 3.44Å; F97-P106 HydrophobicContact CZ-CG 3.54Å; F101-P106 HydrophobicContact CD1-CB 4.05Å; F101-P106 HydrophobicContact CE1-CB 4.48Å; F101-P106 HydrophobicContact CG-CB 4.47Å; P106-F110 WeakPolarHBondContact O-CD2 3.47Å; P106-F110 WeakPolarHBondContact O-CE2 3.22Å
107F58Low57.3Low67 Ų6790.4 Ų90.429%0.29448%0.483SS..G310 helixtrans-77.4-23.7-176.1-61.1-77.5000114.2L29 H32 C35 N105 R109 F110L29-F107 HydrophobicContact CB-CZ 4.43Å; L29-F107 HydrophobicContact CD2-CE1 4.46Å; L29-F107 HydrophobicContact CD2-CE2 4.23Å; L29-F107 HydrophobicContact CD2-CZ 3.87Å; H32-F107 HydrophobicContact CB-CE2 4.34Å; C35-F107 WeakPolarHBondContact SG-CE2 3.38Å; C35-F107 WeakPolarHBondContact SG-CZ 3.48Å; N105-F107 PolarHBondContact O-N 2.66Å; N105-F107 WeakPolarHBondContact OD1-CB 3.41Å; N105-F107 WeakPolarHBondContact OD1-CD2 3.47Å; N105-F107 PolarHBondContact OD1-N 2.8Å; N105-F107 VanDerWaalsContact OD1-N 3.15Å; F107-R109 PolarHBondContact O-N 3.37Å; F107-F110 PolarHBondContact O-N 3.33Å
108D55Low55.4Low123 Ų12396.6 Ų96.666%0.65852%0.52SS*.G310 helixtrans-58.2-21.2176.3-79.6-16000112.5N105N105-D108 HydrophobicContact CB-CB 4.49Å; N105-D108 PolarHBondContact ND2-OD1 2.82Å; N105-D108 PolarHBondContact ND2-OD2 2.78Å
109R49.6Very low53.3Low154 Ų154100.8 Ų100.858%0.58154%0.539SS*.G310 helixtrans-91.7-13.4175-80.5-172.3159.1178.5-6.8115.1F107 H132F107-R109 PolarHBondContact O-N 3.37Å; R109-H132 PolarHBondContact NH2-CD2 3.16Å; R109-H132 PolarHBondContact NH2-NE2 3.44Å
110F48Very low51.5Low60 Ų60104.4 Ų104.426%0.26355%0.546SS..THydrogen-bonded Turntrans-98.7-12.4-174-72.8-70.4000114.3P106 F107 E112 E113 F122P106-F110 WeakPolarHBondContact O-CD2 3.47Å; P106-F110 WeakPolarHBondContact O-CE2 3.22Å; F107-F110 PolarHBondContact O-N 3.33Å; F110-E112 PolarHBondContact O-N 2.86Å; F110-E113 PolarHBondContact O-N 2.79Å; F110-F122 HydrophobicContact CE2-CE2 4.42Å; F110-F122 HydrophobicContact CZ-CD2 4.13Å; F110-F122 HydrophobicContact CZ-CE2 4.12Å
111Q45.8Very low49.5Very low178 Ų178109.7 Ų109.783%0.83257%0.574SS**THydrogen-bonded Turntrans-64.4-23.3-177.7-166.7169.8-7.900113
112E41.7Very low48.1Very low197 Ų197112.1 Ų112.192%0.92159%0.585SS**THydrogen-bonded Turntrans-93.1-13.5179.4-69.2-171.3169.300115F110F110-E112 PolarHBondContact O-N 2.86Å
113E39.6Very low46.7Very low148 Ų148110.7 Ų110.769%0.69257%0.57SS**  trans-138.341-170.6-149.1171.7-162.800113.4F110 G115F110-E113 PolarHBondContact O-N 2.79Å; E113-G115 PolarHBondContact O-N 2.74Å
114M39.9Very low45.2Very low186 Ų186110.5 Ų110.592%0.91658%0.579SS**  trans-81.249.3175.4-132.5-145.8-160.700112.4
115G34.3Very low44.3Very low58 Ų58111.2 Ų111.260%0.59858%0.578SS**SBendtrans-147.588.9-176.300000112.5E113E113-G115 PolarHBondContact O-N 2.74Å
116S40.2Very low43.4Very low119 Ų119115 Ų11583%0.83260%0.598SS**SBendtrans69.7123.1172.6-84.40000116.6
117Q33.7Very low42.8Very low162 Ų162115.5 Ų115.576%0.75760%0.604SS**  trans92.260.7166.9-52.8-178.2-21.400117.4E119Q117-E119 PolarHBondContact O-N 2.78Å; Q117-E119 VanDerWaalsContact O-N 3.09Å
118V43.3Very low42.5Very low130 Ų130121.2 Ų121.279%0.78862%0.624SS**THydrogen-bonded Turntrans-77.527.4163.3-162.30000112.1
119E35.6Very low42.4Very low174 Ų174115.9 Ų115.981%0.81360%0.598SS**THydrogen-bonded Turntrans-94.7-21.9178.1-71.6-159148.500113.7Q117Q117-E119 PolarHBondContact O-N 2.78Å; Q117-E119 VanDerWaalsContact O-N 3.09Å
120H38.5Very low42.9Very low167 Ų167112.7 Ų112.777%0.77360%0.598SS**SBendtrans-121.6-7.1-171.1-76.2-61000116.8
121N40Very low43.9Very low116 Ų116113.2 Ų113.262%0.6261%0.607SS**SBendtrans-96.83.5-170.3-74.858.1000116.6
122F49.8Very low45.4Very low62 Ų62108.5 Ų108.527%0.27259%0.585SS.*SBendtrans-131.8104.9-178.5-125-95.5000113.5R25 F101 F110R25-F122 PolarHBondContact NH1-O 3.06Å; F101-F122 AromaticContact CD1-CE1 3.62Å; F101-F122 HydrophobicContact CD1-CE1 3.62Å; F101-F122 AromaticContact CD1-CZ 3.97Å; F101-F122 HydrophobicContact CD1-CZ 3.97Å; F101-F122 HydrophobicContact CE1-CE1 4.12Å; F110-F122 HydrophobicContact CE2-CE2 4.42Å; F110-F122 HydrophobicContact CZ-CD2 4.13Å; F110-F122 HydrophobicContact CZ-CE2 4.12Å
123G41Very low47.5Very low22 Ų22102.4 Ų102.423%0.22756%0.557CS.*  trans-37.2139.8-17300000115.6R25R25-G123 PolarHBondContact NH2-O 3.43Å
124G36.7Very low49.8Very low54 Ų5499.3 Ų99.356%0.55755%0.545SS*.  trans-65.1165.8-174.900000115.3N126G124-N126 VanDerWaalsContact C-N 3.29Å; G124-N126 PolarHBondContact O-N 2.88Å
125F41.8Very low52.3Low115 Ų11595.4 Ų95.450%0.50453%0.533SS..SBendtrans19.4-19.2161.6-50.4-38.1000125.1H17 A18 C21H17-F125 PolarHBondContact CD2-O 2.93Å; H17-F125 PolarHBondContact NE2-O 2.87Å; A18-F125 VanDerWaalsContact C-CE1 3.45Å; A18-F125 HydrophobicContact CB-CB 4.42Å; A18-F125 HydrophobicContact CB-CD1 3.1Å; A18-F125 HydrophobicContact CB-CD2 3.7Å; A18-F125 HydrophobicContact CB-CE1 2.9Å; A18-F125 HydrophobicContact CB-CE2 3.54Å; A18-F125 HydrophobicContact CB-CG 3.47Å; A18-F125 VanDerWaalsContact CB-CG 3.47Å; A18-F125 HydrophobicContact CB-CZ 3.12Å; A18-F125 WeakPolarHBondContact O-CD1 3.34Å; A18-F125 WeakPolarHBondContact O-CE1 2.86Å; C21-F125 PolarHBondContact SG-O 2.83Å
126N42.1Very low55.2Low118 Ų11895.8 Ų95.863%0.63153%0.526SS*.SBendtrans-118.351-179.3-79.14.6000112.5H17 G124 R128H17-N126 PolarHBondContact CD2-OD1 3.23Å; G124-N126 VanDerWaalsContact C-N 3.29Å; G124-N126 PolarHBondContact O-N 2.88Å; N126-R128 WeakPolarHBondContact O-CB 3.41Å; N126-R128 PolarHBondContact O-N 2.82Å
127G43.8Very low57.8Low15 Ų1593.2 Ų93.216%0.15550%0.502CS..SBendtrans46.514.216300000117.8F100F100-G127 CarbonylContact C-O 3.31Å; F100-G127 VanDerWaalsContact CA-O 3.26Å; F100-G127 WeakPolarHBondContact CA-O 3.27Å; F100-G127 CarbonylContact O-C 3.59Å
128R50.9Low60.8Low187 Ų18790.5 Ų90.571%0.70649%0.489SS*.SBendtrans-119.3114.5179.9-77.5-178.4167.1176.2-3.8102.2N126N126-R128 WeakPolarHBondContact O-CB 3.41Å; N126-R128 PolarHBondContact O-N 2.82Å
129G54.3Low63.2Low11 Ų1189 Ų8911%0.11347%0.469CS..  trans-45152.616900000109.6P131 N202G129-P131 VanDerWaalsContact O-N 3.13Å; G129-N202 PolarHBondContact N-ND2 3.13Å; G129-N202 PolarHBondContact O-ND2 3.12Å; G129-N202 PolarHBondContact O-OD1 2.95Å
130C59.9Low66.1Low87 Ų8786.7 Ų86.759%0.58846%0.459SS*.PPolyproline II helixtrans-49128.6178.2-167.90000109.1H132C130-H132 PolarHBondContact O-N 3.09Å
131P68Low68.8Low71 Ų7179.2 Ų79.246%0.46142%0.424SS..PPolyproline II helixtrans-50.7120.9179.3-27.934.4000109.7G129 N202 I204G129-P131 VanDerWaalsContact O-N 3.13Å; P131-N202 WeakPolarHBondContact CA-O 3.47Å; P131-I204 HydrophobicContact CB-CD1 3.95Å; P131-I204 HydrophobicContact CB-CG1 3.68Å; P131-I204 WeakPolarHBondContact O-CD1 3.25Å
132H78.3Confident71.4Confident79 Ų7976.8 Ų76.837%0.36642%0.416SS..EExtended strand (participates in β ladder)trans-99.8139.1-174.9178.4-93.7000110R109 C130 D134 N202 T203 I204R109-H132 PolarHBondContact NH2-CD2 3.16Å; R109-H132 PolarHBondContact NH2-NE2 3.44Å; C130-H132 PolarHBondContact O-N 3.09Å; H132-D134 IonicContact CE1-OD1 3.86Å; H132-D134 IonicContact ND1-OD1 3.82Å; H132-N202 PolarHBondContact N-O 3.2Å; H132-T203 WeakPolarHBondContact O-CA 3.45Å; H132-I204 PolarHBondContact O-N 2.84Å
133Q86Confident73.7Confident70 Ų7073.9 Ų73.933%0.32740%0.403SS..EExtended strand (participates in β ladder)trans-107.1125.3175.7-165.6171.4-8.900109.5I204 P205 D207Q133-I204 HydrophobicContact CB-CB 3.79Å; Q133-I204 HydrophobicContact CB-CD1 4.33Å; Q133-I204 HydrophobicContact CB-CG2 4.08Å; Q133-I204 HydrophobicContact CG-CB 3.99Å; Q133-I204 HydrophobicContact CG-CG2 3.83Å; Q133-P205 PolarHBondContact NE2-O 3.21Å; Q133-D207 PolarHBondContact NE2-OD1 3.11Å
134D87.4Confident76.3Confident83 Ų8374.9 Ų74.944%0.44441%0.405SS..PPolyproline II helixtrans-67.4156.7173.5-69-19.9000111H132 A206H132-D134 IonicContact CE1-OD1 3.86Å; H132-D134 IonicContact ND1-OD1 3.82Å; D134-A206 HydrophobicContact CB-CB 4.2Å
135P92.1Very high79.2Confident103 Ų10372.5 Ų72.567%0.66938%0.38SS*.PPolyproline II helixtrans-58.6154.9178.324.9-35.3000111.9I137P135-I137 PolarHBondContact O-N 3.06Å
136P94.7Very high81.8Confident67 Ų6770 Ų7044%0.43537%0.369SS..PPolyproline II helixtrans-57.8132.9179.2-23.533.5000112.4E138 D207 V209P136-E138 PolarHBondContact O-N 2.97Å; P136-D207 CarbonylContact C-O 3.55Å; P136-D207 WeakPolarHBondContact CA-O 3.41Å; P136-D207 HydrophobicContact CB-CB 4.31Å; P136-V209 HydrophobicContact CB-CG2 3.77Å
137I95.1Very high84.4Confident64 Ų6467 Ų6733%0.32835%0.352SS..EExtended strand (participates in β ladder)trans-81.1107176-59.2170.4000108.2P135 A206 D207 I208 V209P135-I137 PolarHBondContact O-N 3.06Å; I137-A206 HydrophobicContact CD1-CB 3.97Å; I137-A206 HydrophobicContact CG1-CB 3.99Å; I137-D207 PolarHBondContact N-O 3.48Å; I137-I208 HydrophobicContact CB-CG1 4.43Å; I137-I208 WeakPolarHBondContact O-CA 3.34Å; I137-V209 PolarHBondContact O-N 3.49Å
138E96.4Very high86.9Confident106 Ų10666.5 Ų66.550%0.49535%0.346SS..EExtended strand (participates in β ladder)trans-87.6136.5-179.6-56.1-168.6165.900112.1P136 R190 V209 I211P136-E138 PolarHBondContact O-N 2.97Å; E138-R190 VanDerWaalsContact CD-NH1 3.34Å; E138-R190 IonicContact OE1-CZ 3.79Å; E138-R190 IonicContact OE1-NH1 3.36Å; E138-R190 PolarHBondContact OE1-NH1 2.96Å; E138-R190 IonicContact OE1-NH2 3.91Å; E138-R190 PolarHBondContact OE1-NH2 3.35Å; E138-R190 IonicContact OE2-NH1 2.88Å; E138-V209 CarbonylContact C-O 3.56Å; E138-V209 WeakPolarHBondContact CA-O 3.34Å; E138-V209 HydrophobicContact CG-CB 4.45Å; E138-I211 HydrophobicContact CB-CD1 4.14Å; E138-I211 HydrophobicContact CG-CD1 4.44Å; E138-I211 WeakPolarHBondContact OE2-CD1 3.48Å
139R95.6Very high89.1Confident97 Ų9758.6 Ų58.637%0.36632%0.316SS..EExtended strand (participates in β ladder)trans-136125.3175.3-62.6-175.4-176.5-177.62.3109.9V209 F210 I211R139-V209 PolarHBondContact N-O 2.66Å; R139-F210 HydrophobicContact CB-CD1 4.05Å; R139-F210 HydrophobicContact CB-CE1 4.12Å; R139-F210 CarbonylContact O-C 3.57Å; R139-F210 VanDerWaalsContact O-CA 3.27Å; R139-F210 WeakPolarHBondContact O-CA 3.48Å; R139-I211 PolarHBondContact O-N 2.83Å
140E96.2Very high91.1Very high127 Ų12763 Ų6359%0.59334%0.337SS*.EExtended strand (participates in β ladder)trans-79.7141.1175-59.4-164.713600111I211 R213E140-I211 WeakPolarHBondContact CA-O 3.44Å; E140-R213 HydrophobicContact CB-CG 4.19Å; E140-R213 IonicContact OE1-CZ 2.75Å; E140-R213 IonicContact OE1-NE 3.03Å; E140-R213 PolarHBondContact OE1-NE 3.44Å; E140-R213 IonicContact OE1-NH2 2.89Å; E140-R213 PolarHBondContact OE1-NH2 3.33Å
141M94.5Very high92.8Very high9 Ų959.9 Ų59.94%0.04432%0.32CS..EExtended strand (participates in β ladder)trans-129.3120.3174.361.1-178.7-76.900110.8L143 K154 M156 L179 F210 I211 L212 R213M141-L143 HydrophobicContact CE-CD1 4.36Å; M141-L143 HydrophobicContact CE-CD2 3.66Å; M141-L143 HydrophobicContact CE-CG 4.19Å; M141-K154 HydrophobicContact CE-CB 4.17Å; M141-K154 HydrophobicContact CE-CD 3.96Å; M141-K154 HydrophobicContact CE-CG 4.26Å; M141-M156 HydrophobicContact CB-CE 3.9Å; M141-M156 HydrophobicContact CE-CE 3.67Å; M141-M156 HydrophobicContact SD-CE 4Å; M141-L179 HydrophobicContact CE-CD1 4.16Å; M141-L179 HydrophobicContact CE-CD2 3.74Å; M141-L179 HydrophobicContact SD-CD1 3.47Å; M141-L179 WeakPolarHBondContact SD-CD1 3.39Å; M141-L179 HydrophobicContact SD-CD2 4.11Å; M141-L179 HydrophobicContact SD-CG 4.42Å; M141-F210 HydrophobicContact CG-CB 4.39Å; M141-F210 HydrophobicContact SD-CB 3.77Å; M141-F210 HydrophobicContact SD-CD1 4.22Å; M141-F210 HydrophobicContact SD-CG 4.24Å; M141-I211 PolarHBondContact N-O 3.32Å; M141-L212 HydrophobicContact CE-CD2 3.72Å; M141-L212 HydrophobicContact CG-CD2 3.41Å; M141-L212 VanDerWaalsContact CG-CD2 3.41Å; M141-L212 HydrophobicContact SD-CD2 3.38Å; M141-L212 WeakPolarHBondContact SD-CD2 3.27Å; M141-R213 PolarHBondContact O-N 3.06Å
142S95.5Very high94.1Very high66 Ų6657.8 Ų57.846%0.46231%0.306SS..EExtended strand (participates in β ladder)trans-84.8132175.654.40000111.4K154 R213S142-K154 PolarHBondContact O-NZ 3.5Å; S142-R213 CarbonylContact C-O 3.5Å; S142-R213 VanDerWaalsContact CA-O 3.3Å; S142-R213 WeakPolarHBondContact CA-O 3.21Å
143L96.6Very high95Very high0 Ų058.1 Ų58.10%031%0.314CS..EExtended strand (participates in β ladder)trans-121.3141.7178.2-62.5-178.1000109.8M141 E147 I148 K154 V181 L212 R213 H215M141-L143 HydrophobicContact CE-CD1 4.36Å; M141-L143 HydrophobicContact CE-CD2 3.66Å; M141-L143 HydrophobicContact CE-CG 4.19Å; L143-E147 WeakPolarHBondContact CA-OE2 3.26Å; L143-I148 HydrophobicContact CB-CD1 3.91Å; L143-I148 HydrophobicContact CB-CG1 3.72Å; L143-I148 HydrophobicContact CD1-CG1 3.99Å; L143-K154 HydrophobicContact CD2-CD 3.44Å; L143-K154 VanDerWaalsContact CD2-CD 3.44Å; L143-K154 HydrophobicContact CD2-CG 4.14Å; L143-V181 HydrophobicContact CD1-CB 4.29Å; L143-V181 HydrophobicContact CD1-CG1 3.78Å; L143-V181 HydrophobicContact CD1-CG2 3.63Å; L143-L212 HydrophobicContact CD1-CD1 4.12Å; L143-L212 HydrophobicContact CD1-CD2 3.9Å; L143-L212 HydrophobicContact CD1-CG 4.48Å; L143-R213 PolarHBondContact N-O 3.4Å; L143-H215 WeakPolarHBondContact O-CB 3.27Å; L143-H215 PolarHBondContact O-N 3.31Å
144T96.9Very high95.4Very high44 Ų4457 Ų5727%0.2731%0.308SS..  trans-72.6157.7173.683.80000110.7E146 E147 I148T144-E146 WeakPolarHBondContact CB-OE2 3.38Å; T144-E146 PolarHBondContact O-N 3.36Å; T144-E146 PolarHBondContact OG1-OE2 2.77Å; T144-E147 PolarHBondContact N-OE2 3.37Å; T144-E147 WeakPolarHBondContact O-CB 3.3Å; T144-E147 PolarHBondContact O-N 3.14Å; T144-E147 VanDerWaalsContact O-N 3.17Å; T144-E147 WeakPolarHBondContact OG1-CG 3.26Å; T144-E147 PolarHBondContact OG1-N 3.4Å; T144-I148 WeakPolarHBondContact O-CG1 3.39Å; T144-I148 PolarHBondContact O-N 3.47Å
145L97.1Very high95.8Very high4 Ų460.2 Ų60.22%0.02132%0.318CS..Hα-helixtrans-63-33.5178.5-65.6-179.5000111.4I148 Y149 H217 F220 R222 L227 L249L145-I148 PolarHBondContact O-N 3.21Å; L145-Y149 WeakPolarHBondContact O-CB 3.38Å; L145-Y149 PolarHBondContact O-N 3.47Å; L145-H217 HydrophobicContact CD1-CB 3.63Å; L145-H217 HydrophobicContact CG-CB 4.11Å; L145-F220 HydrophobicContact CD1-CB 3.78Å; L145-R222 HydrophobicContact CD2-CB 3.91Å; L145-L227 HydrophobicContact CD1-CD2 4.14Å; L145-L249 HydrophobicContact CB-CD1 3.9Å; L145-L249 HydrophobicContact CB-CD2 3.94Å
146E96.6Very high95.9Very high61 Ų6157.5 Ų57.529%0.28530%0.297SS..Hα-helixtrans-65.9-39.5174.8-55.478.1-174.200112.1T144 I148 Y149 N150 H217 L249T144-E146 WeakPolarHBondContact CB-OE2 3.38Å; T144-E146 PolarHBondContact O-N 3.36Å; T144-E146 PolarHBondContact OG1-OE2 2.77Å; E146-I148 VanDerWaalsContact C-N 3.35Å; E146-Y149 PolarHBondContact O-N 3.02Å; E146-N150 WeakPolarHBondContact O-CB 3.27Å; E146-N150 PolarHBondContact O-N 2.89Å; E146-N150 PolarHBondContact O-ND2 3.28Å; E146-H217 IonicContact OE1-CD2 3.35Å; E146-H217 PolarHBondContact OE1-CD2 3.27Å; E146-H217 IonicContact OE1-NE2 3.05Å; E146-H217 PolarHBondContact OE1-NE2 2.94Å; E146-L249 HydrophobicContact CG-CD2 4.11Å
147E96.9Very high95.9Very high56 Ų5660.7 Ų60.726%0.26230%0.304SS..Hα-helixtrans-63.7-40.9174.8-73.7179.6143.800111.2L143 T144 G151 C152 K154L143-E147 WeakPolarHBondContact CA-OE2 3.26Å; T144-E147 PolarHBondContact N-OE2 3.37Å; T144-E147 WeakPolarHBondContact O-CB 3.3Å; T144-E147 PolarHBondContact O-N 3.14Å; T144-E147 VanDerWaalsContact O-N 3.17Å; T144-E147 WeakPolarHBondContact OG1-CG 3.26Å; T144-E147 PolarHBondContact OG1-N 3.4Å; E147-G151 CarbonylContact O-C 3.57Å; E147-G151 WeakPolarHBondContact O-CA 3.48Å; E147-G151 PolarHBondContact O-N 3.4Å; E147-C152 HydrophobicContact CB-CB 4.27Å; E147-K154 VanDerWaalsContact CD-CE 3.46Å; E147-K154 VanDerWaalsContact CD-NZ 3.3Å; E147-K154 WeakPolarHBondContact OE1-CE 3.39Å; E147-K154 IonicContact OE1-NZ 2.8Å; E147-K154 PolarHBondContact OE1-NZ 3.2Å; E147-K154 VanDerWaalsContact OE2-CE 3.27Å; E147-K154 WeakPolarHBondContact OE2-CE 3.44Å; E147-K154 IonicContact OE2-NZ 3.53Å; E147-K154 PolarHBondContact OE2-NZ 2.82Å
148I96.3Very high95.9Very high4 Ų457.8 Ų57.82%0.02129%0.289CS..Hα-helixtrans-74.4-35.1177.4-58.4163.5000111L143 T144 L145 E146 P183 G184 D214 M275L143-I148 HydrophobicContact CB-CD1 3.91Å; L143-I148 HydrophobicContact CB-CG1 3.72Å; L143-I148 HydrophobicContact CD1-CG1 3.99Å; T144-I148 WeakPolarHBondContact O-CG1 3.39Å; T144-I148 PolarHBondContact O-N 3.47Å; L145-I148 PolarHBondContact O-N 3.21Å; E146-I148 VanDerWaalsContact C-N 3.35Å; I148-P183 CarbonylContact O-C 3.55Å; I148-P183 VanDerWaalsContact O-CA 3.27Å; I148-P183 WeakPolarHBondContact O-CA 3.37Å; I148-G184 PolarHBondContact O-N 2.99Å; I148-D214 VanDerWaalsContact CD1-OD1 3.24Å; I148-D214 WeakPolarHBondContact CD1-OD1 3.37Å; I148-M275 HydrophobicContact CB-CE 3.8Å; I148-M275 HydrophobicContact CG2-CE 3.54Å
149Y97.1Very high95.8Very high21 Ų2155.9 Ų55.98%0.08229%0.288CS..Hα-helixtrans-66.7-45.4-179.4-177-86.6000111.5L145 E146 L249 D250 M275 P276 K284L145-Y149 WeakPolarHBondContact O-CB 3.38Å; L145-Y149 PolarHBondContact O-N 3.47Å; E146-Y149 PolarHBondContact O-N 3.02Å; Y149-L249 HydrophobicContact CD1-CB 4.4Å; Y149-L249 HydrophobicContact CD2-CB 3.96Å; Y149-L249 HydrophobicContact CD2-CD1 3.77Å; Y149-L249 HydrophobicContact CE2-CB 4.25Å; Y149-L249 HydrophobicContact CG-CB 4.02Å; Y149-L249 HydrophobicContact CG-CD1 4.19Å; Y149-D250 HydrophobicContact CE1-CB 3.98Å; Y149-M275 HydrophobicContact CD2-SD 4.21Å; Y149-P276 WeakPolarHBondContact O-CG 3.44Å; Y149-K284 HydrophobicContact CE2-CD 4.41Å; Y149-K284 WeakPolarHBondContact OH-CE 3.27Å; Y149-K284 PolarHBondContact OH-NZ 2.77Å
150N95.6Very high95.6Very high103 Ų10353 Ų5355%0.55128%0.277SS*.Hα-helixtrans-88.9-15.8-179-63-61.4000113.2E146E146-N150 WeakPolarHBondContact O-CB 3.27Å; E146-N150 PolarHBondContact O-N 2.89Å; E146-N150 PolarHBondContact O-ND2 3.28Å
151G95.7Very high95.4Very high23 Ų2353.1 Ų53.124%0.23727%0.272CS..  trans76.1150-164.300000111.4E147 V181E147-G151 CarbonylContact O-C 3.57Å; E147-G151 WeakPolarHBondContact O-CA 3.48Å; E147-G151 PolarHBondContact O-N 3.4Å; G151-V181 VanDerWaalsContact CA-O 3.26Å; G151-V181 WeakPolarHBondContact CA-O 3.26Å
152C96.1Very high95.3Very high26 Ų2653.9 Ų53.918%0.17628%0.276CS..EExtended strand (participates in β ladder)trans-151.5163.7-179.870.10000111.9E147 V181E147-C152 HydrophobicContact CB-CB 4.27Å; C152-V181 PolarHBondContact N-O 3.29Å; C152-V181 PolarHBondContact O-N 2.88Å
153T96.5Very high94.9Very high86 Ų8652.7 Ų52.753%0.52826%0.263SS..EExtended strand (participates in β ladder)trans-113.8117.2169.7-56.60000109T178 L179T153-T178 HydrophobicContact CG2-CG2 3.38Å; T153-L179 CarbonylContact C-O 3.53Å; T153-L179 WeakPolarHBondContact CA-O 3.45Å
154K95.2Very high94.4Very high46 Ų4655 Ų5520%0.228%0.276CS..EExtended strand (participates in β ladder)trans-102.8136.4174.7-68.7-145.7172.3177.90111M141 S142 L143 E147 M156 L179M141-K154 HydrophobicContact CE-CB 4.17Å; M141-K154 HydrophobicContact CE-CD 3.96Å; M141-K154 HydrophobicContact CE-CG 4.26Å; S142-K154 PolarHBondContact O-NZ 3.5Å; L143-K154 HydrophobicContact CD2-CD 3.44Å; L143-K154 VanDerWaalsContact CD2-CD 3.44Å; L143-K154 HydrophobicContact CD2-CG 4.14Å; E147-K154 VanDerWaalsContact CD-CE 3.46Å; E147-K154 VanDerWaalsContact CD-NZ 3.3Å; E147-K154 WeakPolarHBondContact OE1-CE 3.39Å; E147-K154 IonicContact OE1-NZ 2.8Å; E147-K154 PolarHBondContact OE1-NZ 3.2Å; E147-K154 VanDerWaalsContact OE2-CE 3.27Å; E147-K154 WeakPolarHBondContact OE2-CE 3.44Å; E147-K154 IonicContact OE2-NZ 3.53Å; E147-K154 PolarHBondContact OE2-NZ 2.82Å; K154-M156 HydrophobicContact CB-CE 4.16Å; K154-M156 HydrophobicContact CD-CE 4.09Å; K154-L179 PolarHBondContact N-O 3.26Å; K154-L179 PolarHBondContact O-N 3.49Å
155K95.9Very high93.8Very high152 Ų15262.5 Ų62.566%0.66131%0.308SS*.EExtended strand (participates in β ladder)trans-105.3117.9174.4-69.9-178-178.11790108.7I176 L177 T178K155-I176 HydrophobicContact CB-CG2 3.76Å; K155-I176 HydrophobicContact CD-CG2 4.34Å; K155-I176 HydrophobicContact CG-CG2 4.19Å; K155-L177 CarbonylContact C-O 3.53Å; K155-L177 WeakPolarHBondContact CA-O 3.4Å; K155-T178 HydrophobicContact CG-CG2 4.49Å
156M93.9Very high93.1Very high46 Ų4667.7 Ų67.723%0.22734%0.336CS..EExtended strand (participates in β ladder)trans-109.5124.1-179.2-62.7-58.5-172.200109.8M141 K154 I176 L177 F210M141-M156 HydrophobicContact CB-CE 3.9Å; M141-M156 HydrophobicContact CE-CE 3.67Å; M141-M156 HydrophobicContact SD-CE 4Å; K154-M156 HydrophobicContact CB-CE 4.16Å; K154-M156 HydrophobicContact CD-CE 4.09Å; M156-I176 WeakPolarHBondContact O-CA 3.35Å; M156-L177 PolarHBondContact N-O 3.05Å; M156-L177 PolarHBondContact O-N 2.92Å; M156-F210 HydrophobicContact CB-CE1 3.94Å; M156-F210 HydrophobicContact CB-CZ 3.71Å; M156-F210 HydrophobicContact CG-CD1 4.38Å; M156-F210 HydrophobicContact CG-CE1 3.8Å; M156-F210 HydrophobicContact CG-CZ 4.01Å
157K95.3Very high92.1Very high134 Ų13466.7 Ų66.758%0.58334%0.342SS*.EExtended strand (participates in β ladder)trans-84.7127.8175.3-171.7-178.5178.2-172.60109.6D174K157-D174 WeakPolarHBondContact CE-OD2 3.47Å; K157-D174 IonicContact NZ-OD2 3.81Å; K157-D174 PolarHBondContact NZ-OD2 3.2Å
158I94.3Very high91.1Very high2 Ų272.2 Ų72.21%0.0137%0.367CS..EExtended strand (participates in β ladder)trans-119.3141.817266165.7000109D174 K175 L177 E196 I208 F210I158-D174 CarbonylContact O-C 3.37Å; I158-D174 VanDerWaalsContact O-CA 3.3Å; I158-D174 WeakPolarHBondContact O-CA 3.28Å; I158-K175 HydrophobicContact CD1-CB 4.43Å; I158-K175 HydrophobicContact CG1-CB 4.03Å; I158-K175 WeakPolarHBondContact CG1-O 3.27Å; I158-K175 PolarHBondContact N-O 3.03Å; I158-K175 PolarHBondContact O-N 3.3Å; I158-L177 HydrophobicContact CD1-CD1 3.72Å; I158-L177 HydrophobicContact CD1-CD2 4.18Å; I158-L177 HydrophobicContact CD1-CG 3.91Å; I158-L177 HydrophobicContact CG1-CD1 4.27Å; I158-L177 HydrophobicContact CG1-CG 4.15Å; I158-L177 HydrophobicContact CG2-CD1 3.94Å; I158-L177 HydrophobicContact CG2-CG 4.34Å; I158-E196 HydrophobicContact CD1-CB 3.92Å; I158-I208 HydrophobicContact CB-CD1 4.38Å; I158-I208 HydrophobicContact CD1-CD1 3.54Å; I158-I208 HydrophobicContact CG2-CD1 4.2Å; I158-F210 HydrophobicContact CG2-CZ 4.38Å
159S93.4Very high90.5Very high67 Ų6775.3 Ų75.347%0.46939%0.386SS..EExtended strand (participates in β ladder)trans-109.2126.2169.7-55.30000107D174S159-D174 VanDerWaalsContact CB-OD1 3.27Å; S159-D174 WeakPolarHBondContact CB-OD1 3.43Å; S159-D174 PolarHBondContact OG-OD1 3.05Å
160R92.3Very high90.1Very high36 Ų3677 Ų7714%0.13640%0.401CS..EExtended strand (participates in β ladder)trans-134.5153.4179.264162.6-176.6-88.20.5111.7I162 I172 K173 E196 G197 D198R160-I162 HydrophobicContact CG-CD1 4.34Å; R160-I162 HydrophobicContact CG-CG1 4.08Å; R160-I162 VanDerWaalsContact NE-CD1 3.32Å; R160-I172 WeakPolarHBondContact O-CA 3.3Å; R160-K173 PolarHBondContact N-O 2.72Å; R160-K173 PolarHBondContact O-N 3.15Å; R160-E196 WeakPolarHBondContact CD-O 3.44Å; R160-E196 IonicContact CZ-OE2 2.72Å; R160-E196 IonicContact NH1-OE2 2.71Å; R160-E196 PolarHBondContact NH1-OE2 3.03Å; R160-E196 IonicContact NH2-OE2 3.05Å; R160-G197 VanDerWaalsContact CD-O 3.26Å; R160-G197 WeakPolarHBondContact CD-O 3.38Å; R160-D198 VanDerWaalsContact CA-OD1 3.27Å; R160-D198 WeakPolarHBondContact CA-OD1 3.48Å
161R91.9Very high89.9Confident129 Ų12973.6 Ų73.649%0.48739%0.386SS..EExtended strand (participates in β ladder)trans-75.4129169.8-172.3-179.3-63.6-172.33.3109.9S170 D198 Q199R161-S170 WeakPolarHBondContact CD-OG 3.49Å; R161-S170 VanDerWaalsContact CG-CB 3.46Å; R161-D198 HydrophobicContact CB-CB 3.99Å; R161-D198 PolarHBondContact N-OD1 2.74Å; R161-Q199 WeakPolarHBondContact O-CB 3.34Å; R161-Q199 PolarHBondContact O-N 3.15Å
162I91.6Very high89.8Confident25 Ų2578.9 Ų78.913%0.12841%0.407CS..EExtended strand (participates in β ladder)trans-120.8133.5175.8-57.4-164.1000108.2R160 S170 S171 K173R160-I162 HydrophobicContact CG-CD1 4.34Å; R160-I162 HydrophobicContact CG-CG1 4.08Å; R160-I162 VanDerWaalsContact NE-CD1 3.32Å; I162-S170 CarbonylContact O-C 3.56Å; I162-S170 VanDerWaalsContact O-CA 3.3Å; I162-S170 WeakPolarHBondContact O-CA 3.48Å; I162-S171 PolarHBondContact N-O 3.38Å; I162-S171 PolarHBondContact O-N 2.75Å; I162-K173 HydrophobicContact CB-CD 4.14Å; I162-K173 HydrophobicContact CD1-CB 3.74Å; I162-K173 HydrophobicContact CD1-CD 3.71Å; I162-K173 HydrophobicContact CD1-CG 4.29Å; I162-K173 HydrophobicContact CG1-CB 4.1Å; I162-K173 HydrophobicContact CG1-CD 4.2Å; I162-K173 HydrophobicContact CG2-CD 4.47Å
163M87Confident89.7Confident41 Ų4182.7 Ų82.720%0.20242%0.421CS..EExtended strand (participates in β ladder)trans-69.8131.6173.9-73.1-67.1-58.900109.6G167 Q199 P201M163-G167 WeakPolarHBondContact CE-O 2.94Å; M163-Q199 HydrophobicContact CG-CB 4.09Å; M163-P201 HydrophobicContact CE-CG 4.37Å; M163-P201 HydrophobicContact SD-CG 4.3Å
164N87.4Confident89.6Confident48 Ų4882.9 Ų82.926%0.25742%0.418SS..  trans-75.3166.6173.2-62.9-31.8000110.3D166 G167 T169 S171N164-D166 PolarHBondContact O-N 2.6Å; N164-D166 VanDerWaalsContact O-N 3.09Å; N164-G167 PolarHBondContact O-N 2.95Å; N164-T169 WeakPolarHBondContact CB-OG1 3.42Å; N164-T169 PolarHBondContact N-O 2.94Å; N164-T169 PolarHBondContact ND2-OG1 2.79Å; N164-S171 PolarHBondContact OD1-OG 2.91Å
165E84.5Confident89.6Confident203 Ų20384.2 Ų84.295%0.94942%0.424SS*.THydrogen-bonded Turntrans-55.4-29-179.4-64179.6-178.300112.8G167E165-G167 PolarHBondContact O-N 3.01Å; E165-G167 VanDerWaalsContact O-N 3.12Å
166D81Confident89.6Confident112 Ų11282.1 Ų82.160%0.59942%0.419SS*.THydrogen-bonded Turntrans-63.4-14.8176.8-52.8-33.4000113.7N164 H168N164-D166 PolarHBondContact O-N 2.6Å; N164-D166 VanDerWaalsContact O-N 3.09Å; D166-H168 PolarHBondContact O-CD2 3.31Å; D166-H168 PolarHBondContact O-N 3Å
167G75.9Confident89.7Confident40 Ų4080.2 Ų80.241%0.41241%0.41SS..SBendtrans66.42.8-179.200000115.1M163 N164 E165M163-G167 WeakPolarHBondContact CE-O 2.94Å; N164-G167 PolarHBondContact O-N 2.95Å; E165-G167 PolarHBondContact O-N 3.01Å; E165-G167 VanDerWaalsContact O-N 3.12Å
168H76.1Confident89.7Confident173 Ų17377.3 Ų77.380%0.80140%0.403SS*.SBendtrans-119.6-35.2-178.4-66.4-63.3000113.4D166D166-H168 PolarHBondContact O-CD2 3.31Å; D166-H168 PolarHBondContact O-N 3Å
169T84.2Confident89.8Confident68 Ų6877.4 Ų77.442%0.41740%0.404SS..  trans-99.9155-179.762.70000110.7N164N164-T169 WeakPolarHBondContact CB-OG1 3.42Å; N164-T169 PolarHBondContact N-O 2.94Å; N164-T169 PolarHBondContact ND2-OG1 2.79Å
170S88Confident89.9Confident56 Ų5677.5 Ų77.539%0.39240%0.402SS..EExtended strand (participates in β ladder)trans-128.1149.2176.665.60000111.1R161 I162R161-S170 WeakPolarHBondContact CD-OG 3.49Å; R161-S170 VanDerWaalsContact CG-CB 3.46Å; I162-S170 CarbonylContact O-C 3.56Å; I162-S170 VanDerWaalsContact O-CA 3.3Å; I162-S170 WeakPolarHBondContact O-CA 3.48Å
171S91.1Very high90Very high33 Ų3375.9 Ų75.923%0.23140%0.396CS..EExtended strand (participates in β ladder)trans-123.6143175.253.60000110.4I162 N164I162-S171 PolarHBondContact N-O 3.38Å; I162-S171 PolarHBondContact O-N 2.75Å; N164-S171 PolarHBondContact OD1-OG 2.91Å
172I93.7Very high90.2Very high134 Ų13475.3 Ų75.369%0.68740%0.397SS*.EExtended strand (participates in β ladder)trans-81.7124.5171.4-59.9172.6000107.5R160R160-I172 WeakPolarHBondContact O-CA 3.3Å
173K94Very high90.5Very high106 Ų10675.6 Ų75.646%0.46140%0.401SS..EExtended strand (participates in β ladder)trans-126.6137.4177.9-76.3173.2175.8174.20109.9R160 I162R160-K173 PolarHBondContact N-O 2.72Å; R160-K173 PolarHBondContact O-N 3.15Å; I162-K173 HydrophobicContact CB-CD 4.14Å; I162-K173 HydrophobicContact CD1-CB 3.74Å; I162-K173 HydrophobicContact CD1-CD 3.71Å; I162-K173 HydrophobicContact CD1-CG 4.29Å; I162-K173 HydrophobicContact CG1-CB 4.1Å; I162-K173 HydrophobicContact CG1-CD 4.2Å; I162-K173 HydrophobicContact CG2-CD 4.47Å
174D95.4Very high90.9Very high89 Ų8973.7 Ų73.748%0.47639%0.391SS..EExtended strand (participates in β ladder)trans-85.9138.5174.8-67.2-25.7000110.5K157 I158 S159K157-D174 WeakPolarHBondContact CE-OD2 3.47Å; K157-D174 IonicContact NZ-OD2 3.81Å; K157-D174 PolarHBondContact NZ-OD2 3.2Å; I158-D174 CarbonylContact O-C 3.37Å; I158-D174 VanDerWaalsContact O-CA 3.3Å; I158-D174 WeakPolarHBondContact O-CA 3.28Å; S159-D174 VanDerWaalsContact CB-OD1 3.27Å; S159-D174 WeakPolarHBondContact CB-OD1 3.43Å; S159-D174 PolarHBondContact OG-OD1 3.05Å
175K95.5Very high91.3Very high75 Ų7574.2 Ų74.233%0.32639%0.39SS..EExtended strand (participates in β ladder)trans-130.6142.5169.3-171.4179.1-178.6177.30109.7I158 L177 E196I158-K175 HydrophobicContact CD1-CB 4.43Å; I158-K175 HydrophobicContact CG1-CB 4.03Å; I158-K175 WeakPolarHBondContact CG1-O 3.27Å; I158-K175 PolarHBondContact N-O 3.03Å; I158-K175 PolarHBondContact O-N 3.3Å; K175-L177 HydrophobicContact CD-CD2 4.05Å; K175-L177 HydrophobicContact CG-CD2 4.36Å; K175-E196 WeakPolarHBondContact CD-OE2 3.15Å; K175-E196 IonicContact NZ-OE1 2.67Å; K175-E196 PolarHBondContact NZ-OE1 3.37Å; K175-E196 IonicContact NZ-OE2 3.26Å; K175-E196 PolarHBondContact NZ-OE2 3.37Å
176I96.1Very high91.8Very high108 Ų10869.9 Ų69.955%0.55437%0.365SS*.EExtended strand (participates in β ladder)trans-97.6118172.1-59.7172.8000107.8K155 M156K155-I176 HydrophobicContact CB-CG2 3.76Å; K155-I176 HydrophobicContact CD-CG2 4.34Å; K155-I176 HydrophobicContact CG-CG2 4.19Å; M156-I176 WeakPolarHBondContact O-CA 3.35Å
177L95.4Very high92.5Very high6 Ų669.3 Ų69.33%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-90.1129.6171.1-59.7-176.7000108.8K155 M156 I158 K175 F193 E196 F210K155-L177 CarbonylContact C-O 3.53Å; K155-L177 WeakPolarHBondContact CA-O 3.4Å; M156-L177 PolarHBondContact N-O 3.05Å; M156-L177 PolarHBondContact O-N 2.92Å; I158-L177 HydrophobicContact CD1-CD1 3.72Å; I158-L177 HydrophobicContact CD1-CD2 4.18Å; I158-L177 HydrophobicContact CD1-CG 3.91Å; I158-L177 HydrophobicContact CG1-CD1 4.27Å; I158-L177 HydrophobicContact CG1-CG 4.15Å; I158-L177 HydrophobicContact CG2-CD1 3.94Å; I158-L177 HydrophobicContact CG2-CG 4.34Å; K175-L177 HydrophobicContact CD-CD2 4.05Å; K175-L177 HydrophobicContact CG-CD2 4.36Å; L177-F193 HydrophobicContact CB-CD1 4.22Å; L177-F193 HydrophobicContact CB-CE1 3.92Å; L177-F193 HydrophobicContact CB-CE2 4.48Å; L177-F193 HydrophobicContact CB-CZ 4.06Å; L177-F193 HydrophobicContact CD1-CB 3.99Å; L177-F193 HydrophobicContact CD1-CD1 3.96Å; L177-F193 HydrophobicContact CD1-CD2 3.92Å; L177-F193 HydrophobicContact CD1-CE1 4.42Å; L177-F193 HydrophobicContact CD1-CE2 4.38Å; L177-F193 HydrophobicContact CD1-CG 3.68Å; L177-F193 HydrophobicContact CD2-CD1 3.91Å; L177-F193 HydrophobicContact CD2-CE1 4.33Å; L177-F193 HydrophobicContact CD2-CG 4.4Å; L177-F193 HydrophobicContact CG-CD1 4.25Å; L177-F193 HydrophobicContact CG-CE1 4.45Å; L177-F193 HydrophobicContact CG-CG 4.46Å; L177-E196 HydrophobicContact CD2-CG 4.08Å; L177-F210 HydrophobicContact CD1-CE2 3.79Å; L177-F210 HydrophobicContact CD1-CZ 4.32Å
178T96.1Very high93.4Very high73 Ų7368.9 Ų68.945%0.44835%0.354SS..EExtended strand (participates in β ladder)trans-102.4121.2177.6-57.30000108.4T153 K155T153-T178 HydrophobicContact CG2-CG2 3.38Å; K155-T178 HydrophobicContact CG-CG2 4.49Å
179L94.5Very high94.3Very high3 Ų362.4 Ų62.42%0.01633%0.327CS..EExtended strand (participates in β ladder)trans-116.8122.3-176.4-178.9153.7000108.6M141 T153 K154 V181 I191 F193 F210M141-L179 HydrophobicContact CE-CD1 4.16Å; M141-L179 HydrophobicContact CE-CD2 3.74Å; M141-L179 HydrophobicContact SD-CD1 3.47Å; M141-L179 WeakPolarHBondContact SD-CD1 3.39Å; M141-L179 HydrophobicContact SD-CD2 4.11Å; M141-L179 HydrophobicContact SD-CG 4.42Å; T153-L179 CarbonylContact C-O 3.53Å; T153-L179 WeakPolarHBondContact CA-O 3.45Å; K154-L179 PolarHBondContact N-O 3.26Å; K154-L179 PolarHBondContact O-N 3.49Å; L179-V181 HydrophobicContact CD2-CG2 3.31Å; L179-I191 HydrophobicContact CD1-CB 4.08Å; L179-I191 HydrophobicContact CD1-CD1 3.54Å; L179-I191 HydrophobicContact CD1-CG1 4.42Å; L179-I191 HydrophobicContact CD1-CG2 3.93Å; L179-I191 HydrophobicContact CD2-CD1 3.82Å; L179-I191 HydrophobicContact CG-CD1 3.76Å; L179-I191 HydrophobicContact CG-CG2 4.23Å; L179-F193 HydrophobicContact CB-CZ 4.2Å; L179-F193 HydrophobicContact CD1-CE2 4.22Å; L179-F210 HydrophobicContact CD1-CB 3.83Å; L179-F210 HydrophobicContact CD1-CD2 4.25Å; L179-F210 HydrophobicContact CD1-CG 4.11Å
180T95.3Very high94.9Very high69 Ų6965.1 Ų65.142%0.42333%0.33SS..EExtended strand (participates in β ladder)trans-101.1116178.4-51.30000108.6F182 W185T180-F182 HydrophobicContact CG2-CZ 4.36Å; T180-W185 WeakPolarHBondContact O-CZ3 3.42Å
181V95.8Very high95.3Very high3 Ų363.8 Ų63.82%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-94.6118.6175.6-176.90000107.7L143 G151 C152 L179 W185 L212L143-V181 HydrophobicContact CD1-CB 4.29Å; L143-V181 HydrophobicContact CD1-CG1 3.78Å; L143-V181 HydrophobicContact CD1-CG2 3.63Å; G151-V181 VanDerWaalsContact CA-O 3.26Å; G151-V181 WeakPolarHBondContact CA-O 3.26Å; C152-V181 PolarHBondContact N-O 3.29Å; C152-V181 PolarHBondContact O-N 2.88Å; L179-V181 HydrophobicContact CD2-CG2 3.31Å; V181-W185 HydrophobicContact CB-CE3 4.43Å; V181-W185 HydrophobicContact CG1-CB 4.48Å; V181-W185 HydrophobicContact CG1-CE3 4.01Å; V181-L212 HydrophobicContact CG1-CD1 4.24Å
182F96Very high95.5Very high116 Ų11665.7 Ų65.751%0.50933%0.328SS..PPolyproline II helixtrans-81.1151.6174.9-66.9-80.4000111.4T180 G184 W185T180-F182 HydrophobicContact CG2-CZ 4.36Å; F182-G184 PolarHBondContact O-N 3.43Å; F182-W185 HydrophobicContact CB-CD2 4.37Å; F182-W185 HydrophobicContact CB-CG 4.43Å; F182-W185 AromaticContact CD2-CE2 3.78Å; F182-W185 HydrophobicContact CD2-CH2 4.04Å; F182-W185 AromaticContact CD2-CZ2 3.5Å; F182-W185 HydrophobicContact CD2-CZ2 3.5Å; F182-W185 VanDerWaalsContact CD2-CZ2 3.5Å; F182-W185 HydrophobicContact CE2-CZ2 4.2Å; F182-W185 PolarHBondContact O-N 2.77Å
183P96.7Very high95.6Very high32 Ų3261 Ų6121%0.20830%0.303CS..THydrogen-bonded Turntrans-50.1132.2176.5-28.635.6000112.5I148 W185 P276 P281I148-P183 CarbonylContact O-C 3.55Å; I148-P183 VanDerWaalsContact O-CA 3.27Å; I148-P183 WeakPolarHBondContact O-CA 3.37Å; P183-W185 VanDerWaalsContact C-N 3.31Å; P183-W185 PolarHBondContact O-N 3.22Å; P183-P276 HydrophobicContact CB-CB 4.47Å; P183-P276 HydrophobicContact CB-CG 4Å; P183-P281 HydrophobicContact CB-CB 4.25Å
184G95.3Very high95.7Very high0 Ų060.1 Ų60.10%031%0.308CS..THydrogen-bonded Turntrans83.2-2.4169.800000115.7I148 F182 Y186 R222 P276 P278I148-G184 PolarHBondContact O-N 2.99Å; F182-G184 PolarHBondContact O-N 3.43Å; G184-Y186 PolarHBondContact O-N 3.03Å; G184-R222 PolarHBondContact O-NH2 2.94Å; G184-P276 WeakPolarHBondContact CA-O 3.35Å; G184-P278 VanDerWaalsContact O-CG 3.29Å; G184-P278 WeakPolarHBondContact O-CG 3.43Å
185W96.4Very high95.6Very high59 Ų5961.5 Ų61.522%0.22331%0.31CS..PPolyproline II helixtrans-48.4136.9178.5-91.512.8000113.5T180 V181 F182 P183 T189 I191 L212 R222T180-W185 WeakPolarHBondContact O-CZ3 3.42Å; V181-W185 HydrophobicContact CB-CE3 4.43Å; V181-W185 HydrophobicContact CG1-CB 4.48Å; V181-W185 HydrophobicContact CG1-CE3 4.01Å; F182-W185 HydrophobicContact CB-CD2 4.37Å; F182-W185 HydrophobicContact CB-CG 4.43Å; F182-W185 AromaticContact CD2-CE2 3.78Å; F182-W185 HydrophobicContact CD2-CH2 4.04Å; F182-W185 AromaticContact CD2-CZ2 3.5Å; F182-W185 HydrophobicContact CD2-CZ2 3.5Å; F182-W185 VanDerWaalsContact CD2-CZ2 3.5Å; F182-W185 HydrophobicContact CE2-CZ2 4.2Å; F182-W185 PolarHBondContact O-N 2.77Å; P183-W185 VanDerWaalsContact C-N 3.31Å; P183-W185 PolarHBondContact O-N 3.22Å; W185-T189 HydrophobicContact CD2-CG2 4.21Å; W185-T189 HydrophobicContact CE3-CG2 4.08Å; W185-T189 HydrophobicContact CZ3-CG2 4.32Å; W185-I191 HydrophobicContact CE3-CD1 4.28Å; W185-I191 HydrophobicContact CH2-CD1 4.21Å; W185-I191 HydrophobicContact CH2-CG1 4.26Å; W185-I191 HydrophobicContact CZ3-CD1 3.46Å; W185-I191 VanDerWaalsContact CZ3-CD1 3.46Å; W185-I191 HydrophobicContact CZ3-CG1 3.96Å; W185-L212 HydrophobicContact CB-CD1 4.38Å; W185-L212 HydrophobicContact CE3-CD1 3.56Å; W185-L212 HydrophobicContact CZ3-CD1 4.23Å; W185-R222 VanDerWaalsContact O-CZ 3.25Å; W185-R222 PolarHBondContact O-NH1 3.25Å; W185-R222 PolarHBondContact O-NH2 3.37Å
186Y95.4Very high95.6Very high112 Ų11259.3 Ų59.344%0.43930%0.301SS..PPolyproline II helixtrans-72.6150.6-175.6-61.8-69.6000112G184 T189 T225 P278G184-Y186 PolarHBondContact O-N 3.03Å; Y186-T189 WeakPolarHBondContact O-CB 3.47Å; Y186-T189 PolarHBondContact O-N 3.16Å; Y186-T189 PolarHBondContact O-OG1 3.44Å; Y186-T225 HydrophobicContact CE1-CG2 4.03Å; Y186-P278 HydrophobicContact CD2-CG 4.02Å; Y186-P278 HydrophobicContact CE1-CG 4.47Å; Y186-P278 HydrophobicContact CE2-CB 4.48Å; Y186-P278 HydrophobicContact CE2-CG 3.57Å
187E94.9Very high95.4Very high101 Ų10154.2 Ų54.247%0.47228%0.275SS..THydrogen-bonded Turntrans-57.5141.7166.1-162-161.5151.400109.8T189 R213E187-T189 VanDerWaalsContact C-N 3.3Å; E187-T189 PolarHBondContact O-N 3.03Å; E187-R213 VanDerWaalsContact OE1-CD 3.22Å; E187-R213 WeakPolarHBondContact OE1-CD 3.36Å; E187-R213 IonicContact OE1-CZ 3.25Å; E187-R213 IonicContact OE1-NE 2.76Å; E187-R213 IonicContact OE1-NH1 3.43Å; E187-R213 PolarHBondContact OE1-NH1 3.24Å
188G95.5Very high95.2Very high30 Ų3057.9 Ų57.931%0.30930%0.295SS..THydrogen-bonded Turntrans84.2-1.5-178.400000114.4R190 L212G188-R190 WeakPolarHBondContact O-CG 3.07Å; G188-R190 PolarHBondContact O-N 3.16Å; G188-L212 PolarHBondContact N-O 3.2Å
189T95.8Very high94.9Very high37 Ų3757.3 Ų57.323%0.22729%0.287CS..  trans-54.2127.4171.4-59.80000110W185 Y186 E187 I191 L212W185-T189 HydrophobicContact CD2-CG2 4.21Å; W185-T189 HydrophobicContact CE3-CG2 4.08Å; W185-T189 HydrophobicContact CZ3-CG2 4.32Å; Y186-T189 WeakPolarHBondContact O-CB 3.47Å; Y186-T189 PolarHBondContact O-N 3.16Å; Y186-T189 PolarHBondContact O-OG1 3.44Å; E187-T189 VanDerWaalsContact C-N 3.3Å; E187-T189 PolarHBondContact O-N 3.03Å; T189-I191 HydrophobicContact CG2-CG1 4.45Å; T189-L212 HydrophobicContact CG2-CD1 4.48Å; T189-L212 PolarHBondContact O-N 3.23Å
190R96.8Very high94.4Very high125 Ų12558 Ų5847%0.47230%0.295SS..EExtended strand (participates in β ladder)trans-103.7124.7-176-62.6175.362.792.4-3.7110.1E138 G188 V209 F210 I211E138-R190 VanDerWaalsContact CD-NH1 3.34Å; E138-R190 IonicContact OE1-CZ 3.79Å; E138-R190 IonicContact OE1-NH1 3.36Å; E138-R190 PolarHBondContact OE1-NH1 2.96Å; E138-R190 IonicContact OE1-NH2 3.91Å; E138-R190 PolarHBondContact OE1-NH2 3.35Å; E138-R190 IonicContact OE2-NH1 2.88Å; G188-R190 WeakPolarHBondContact O-CG 3.07Å; G188-R190 PolarHBondContact O-N 3.16Å; R190-V209 HydrophobicContact CB-CG1 3.93Å; R190-V209 HydrophobicContact CG-CG1 4.41Å; R190-F210 WeakPolarHBondContact CA-O 3.49Å; R190-I211 HydrophobicContact CG-CG1 4.4Å
191I95.6Very high93.7Very high28 Ų2859.5 Ų59.514%0.14431%0.306CS..EExtended strand (participates in β ladder)trans-118.6108.4-177.5-59.5154.7000108.3L179 W185 T189 F193 V209 F210 L212L179-I191 HydrophobicContact CD1-CB 4.08Å; L179-I191 HydrophobicContact CD1-CD1 3.54Å; L179-I191 HydrophobicContact CD1-CG1 4.42Å; L179-I191 HydrophobicContact CD1-CG2 3.93Å; L179-I191 HydrophobicContact CD2-CD1 3.82Å; L179-I191 HydrophobicContact CG-CD1 3.76Å; L179-I191 HydrophobicContact CG-CG2 4.23Å; W185-I191 HydrophobicContact CE3-CD1 4.28Å; W185-I191 HydrophobicContact CH2-CD1 4.21Å; W185-I191 HydrophobicContact CH2-CG1 4.26Å; W185-I191 HydrophobicContact CZ3-CD1 3.46Å; W185-I191 VanDerWaalsContact CZ3-CD1 3.46Å; W185-I191 HydrophobicContact CZ3-CG1 3.96Å; T189-I191 HydrophobicContact CG2-CG1 4.45Å; I191-F193 HydrophobicContact CG2-CE2 3.85Å; I191-F193 HydrophobicContact CG2-CZ 4.31Å; I191-V209 WeakPolarHBondContact O-CA 3.42Å; I191-F210 PolarHBondContact N-O 3.03Å; I191-F210 PolarHBondContact O-N 2.93Å; I191-L212 HydrophobicContact CD1-CD1 4.16Å; I191-L212 HydrophobicContact CD1-CD2 3.89Å; I191-L212 HydrophobicContact CD1-CG 4.03Å
192T95.7Very high93Very high74 Ų7461.9 Ų61.945%0.45432%0.318SS..EExtended strand (participates in β ladder)trans-95.5129.1-173.7-53.80000111.4D207 V209T192-D207 HydrophobicContact CG2-CB 3.89Å; T192-V209 HydrophobicContact CG2-CG2 4.05Å
193F96.4Very high92.4Very high35 Ų3558.8 Ų58.815%0.15431%0.309CS..EExtended strand (participates in β ladder)trans-107.3105.1168-66.9-93.5000108.6L177 L179 I191 E196 I208 F210L177-F193 HydrophobicContact CB-CD1 4.22Å; L177-F193 HydrophobicContact CB-CE1 3.92Å; L177-F193 HydrophobicContact CB-CE2 4.48Å; L177-F193 HydrophobicContact CB-CZ 4.06Å; L177-F193 HydrophobicContact CD1-CB 3.99Å; L177-F193 HydrophobicContact CD1-CD1 3.96Å; L177-F193 HydrophobicContact CD1-CD2 3.92Å; L177-F193 HydrophobicContact CD1-CE1 4.42Å; L177-F193 HydrophobicContact CD1-CE2 4.38Å; L177-F193 HydrophobicContact CD1-CG 3.68Å; L177-F193 HydrophobicContact CD2-CD1 3.91Å; L177-F193 HydrophobicContact CD2-CE1 4.33Å; L177-F193 HydrophobicContact CD2-CG 4.4Å; L177-F193 HydrophobicContact CG-CD1 4.25Å; L177-F193 HydrophobicContact CG-CE1 4.45Å; L177-F193 HydrophobicContact CG-CG 4.46Å; L179-F193 HydrophobicContact CB-CZ 4.2Å; L179-F193 HydrophobicContact CD1-CE2 4.22Å; I191-F193 HydrophobicContact CG2-CE2 3.85Å; I191-F193 HydrophobicContact CG2-CZ 4.31Å; F193-E196 HydrophobicContact CB-CB 4.26Å; F193-E196 HydrophobicContact CB-CG 3.71Å; F193-I208 PolarHBondContact N-O 3.12Å; F193-I208 PolarHBondContact O-N 3.09Å; F193-F210 AromaticContact CD2-CD2 3.63Å; F193-F210 HydrophobicContact CD2-CD2 3.63Å; F193-F210 AromaticContact CD2-CE2 3.74Å; F193-F210 HydrophobicContact CD2-CE2 3.74Å; F193-F210 AromaticContact CE2-CD2 3.49Å; F193-F210 HydrophobicContact CE2-CD2 3.49Å; F193-F210 VanDerWaalsContact CE2-CD2 3.49Å; F193-F210 AromaticContact CE2-CE2 3.74Å; F193-F210 HydrophobicContact CE2-CE2 3.74Å
194P95Very high91.9Very high87 Ų8759.4 Ų59.457%0.56531%0.31SS*.THydrogen-bonded Turntrans-69.3136.9-170.527.7-34.5000111.4E196 D207P194-E196 PolarHBondContact O-N 3.12Å; P194-E196 VanDerWaalsContact O-N 3.15Å; P194-D207 VanDerWaalsContact CA-OD1 3.28Å; P194-D207 WeakPolarHBondContact CA-OD1 3.3Å
195K93.9Very high91.7Very high119 Ų11960.2 Ų60.252%0.51732%0.315SS..THydrogen-bonded Turntrans53.733.7172.9-55.3178.9-177.9179.70114.4I204 P205 A206 D207K195-I204 HydrophobicContact CD-CG2 4.12Å; K195-I204 HydrophobicContact CG-CG2 4.25Å; K195-P205 HydrophobicContact CB-CB 4.04Å; K195-P205 HydrophobicContact CB-CG 4.47Å; K195-P205 WeakPolarHBondContact O-CB 3.49Å; K195-A206 CarbonylContact C-O 3.36Å; K195-A206 WeakPolarHBondContact CA-O 3.27Å; K195-D207 PolarHBondContact N-OD1 2.84Å
196E94.4Very high91.5Very high28 Ų2857.6 Ų57.613%0.13131%0.306CS..  trans-93.52.6176.6-68.2-61.1165.700113.8I158 R160 K175 L177 F193 P194 A206 I208I158-E196 HydrophobicContact CD1-CB 3.92Å; R160-E196 WeakPolarHBondContact CD-O 3.44Å; R160-E196 IonicContact CZ-OE2 2.72Å; R160-E196 IonicContact NH1-OE2 2.71Å; R160-E196 PolarHBondContact NH1-OE2 3.03Å; R160-E196 IonicContact NH2-OE2 3.05Å; K175-E196 WeakPolarHBondContact CD-OE2 3.15Å; K175-E196 IonicContact NZ-OE1 2.67Å; K175-E196 PolarHBondContact NZ-OE1 3.37Å; K175-E196 IonicContact NZ-OE2 3.26Å; K175-E196 PolarHBondContact NZ-OE2 3.37Å; L177-E196 HydrophobicContact CD2-CG 4.08Å; F193-E196 HydrophobicContact CB-CB 4.26Å; F193-E196 HydrophobicContact CB-CG 3.71Å; P194-E196 PolarHBondContact O-N 3.12Å; P194-E196 VanDerWaalsContact O-N 3.15Å; E196-A206 PolarHBondContact N-O 3.1Å; E196-I208 HydrophobicContact CB-CB 4.41Å; E196-I208 HydrophobicContact CB-CD1 3.82Å; E196-I208 HydrophobicContact CB-CG1 4.09Å; E196-I208 VanDerWaalsContact O-CD1 3.26Å; E196-I208 WeakPolarHBondContact O-CD1 3.47Å
197G92.6Very high91.5Very high2 Ų254 Ų542%0.02129%0.294CS..SBendtrans-76.5-162.7174.500000114.1R160 A206R160-G197 VanDerWaalsContact CD-O 3.26Å; R160-G197 WeakPolarHBondContact CD-O 3.38Å; G197-A206 WeakPolarHBondContact CA-O 3.4Å; G197-A206 PolarHBondContact N-O 2.98Å
198D91.7Very high91.6Very high82 Ų8249.3 Ų49.344%0.43927%0.273SS..  trans-75.1133.4-178.8-71.2-28.2000111.9R160 R161R160-D198 VanDerWaalsContact CA-OD1 3.27Å; R160-D198 WeakPolarHBondContact CA-OD1 3.48Å; R161-D198 HydrophobicContact CB-CB 3.99Å; R161-D198 PolarHBondContact N-OD1 2.74Å
199Q89.1Confident91.7Very high62 Ų6248 Ų4829%0.2926%0.259SS..  trans-88134.5170.1-70.7172.915.500109.9R161 M163 P205R161-Q199 WeakPolarHBondContact O-CB 3.34Å; R161-Q199 PolarHBondContact O-N 3.15Å; M163-Q199 HydrophobicContact CG-CB 4.09Å; Q199-P205 HydrophobicContact CB-CG 4.36Å; Q199-P205 HydrophobicContact CG-CB 4.37Å; Q199-P205 HydrophobicContact CG-CG 3.36Å
200G85.1Confident91.7Very high18 Ų1846.6 Ų46.619%0.18625%0.25CC..BIsolated β-bridgetrans-138.6166.1174.600000111.7N202 T203G200-N202 PolarHBondContact O-N 3.17Å; G200-T203 PolarHBondContact O-N 2.93Å; G200-T203 VanDerWaalsContact O-N 3.16Å
201P80.8Confident91.7Very high99 Ų9941.2 Ų41.264%0.64323%0.23SC*.THydrogen-bonded Turntrans-57.2122.9172.9-20.732.4000110M163 T203M163-P201 HydrophobicContact CE-CG 4.37Å; M163-P201 HydrophobicContact SD-CG 4.3Å; P201-T203 PolarHBondContact O-N 3.18Å; P201-T203 PolarHBondContact O-OG1 3.31Å
202N79Confident91.8Very high53 Ų5340.2 Ų40.228%0.28323%0.225SC..THydrogen-bonded Turntrans61.720.1-179.9-154.140.5000115.5G129 P131 H132 G200G129-N202 PolarHBondContact N-ND2 3.13Å; G129-N202 PolarHBondContact O-ND2 3.12Å; G129-N202 PolarHBondContact O-OD1 2.95Å; P131-N202 WeakPolarHBondContact CA-O 3.47Å; H132-N202 PolarHBondContact N-O 3.2Å; G200-N202 PolarHBondContact O-N 3.17Å
203T83.6Confident91.8Very high51 Ų5140.6 Ų40.631%0.31322%0.218SC..EExtended strand (participates in β ladder)trans-113127.1178.2-51.10000110H132 G200 P201H132-T203 WeakPolarHBondContact O-CA 3.45Å; G200-T203 PolarHBondContact O-N 2.93Å; G200-T203 VanDerWaalsContact O-N 3.16Å; P201-T203 PolarHBondContact O-N 3.18Å; P201-T203 PolarHBondContact O-OG1 3.31Å
204I87.5Confident91.8Very high46 Ų4640.9 Ų40.924%0.23622%0.221CC..EExtended strand (participates in β ladder)trans-76.9127.6166.2-57.1172.1000106.7P131 H132 Q133 K195 A206P131-I204 HydrophobicContact CB-CD1 3.95Å; P131-I204 HydrophobicContact CB-CG1 3.68Å; P131-I204 WeakPolarHBondContact O-CD1 3.25Å; H132-I204 PolarHBondContact O-N 2.84Å; Q133-I204 HydrophobicContact CB-CB 3.79Å; Q133-I204 HydrophobicContact CB-CD1 4.33Å; Q133-I204 HydrophobicContact CB-CG2 4.08Å; Q133-I204 HydrophobicContact CG-CB 3.99Å; Q133-I204 HydrophobicContact CG-CG2 3.83Å; K195-I204 HydrophobicContact CD-CG2 4.12Å; K195-I204 HydrophobicContact CG-CG2 4.25Å; I204-A206 PolarHBondContact O-N 3.27Å
205P91.3Very high91.9Very high16 Ų1641 Ų4110%0.10421%0.214CC..PPolyproline II helixtrans-57.6139.1179.7-27.738000111.9Q133 K195 Q199Q133-P205 PolarHBondContact NE2-O 3.21Å; K195-P205 HydrophobicContact CB-CB 4.04Å; K195-P205 HydrophobicContact CB-CG 4.47Å; K195-P205 WeakPolarHBondContact O-CB 3.49Å; Q199-P205 HydrophobicContact CB-CG 4.36Å; Q199-P205 HydrophobicContact CG-CB 4.37Å; Q199-P205 HydrophobicContact CG-CG 3.36Å
206A92.3Very high92Very high4 Ų440.5 Ų40.53%0.03322%0.223CC..PPolyproline II helixtrans-60.9153.517400000111.2D134 I137 K195 E196 G197 I204D134-A206 HydrophobicContact CB-CB 4.2Å; I137-A206 HydrophobicContact CD1-CB 3.97Å; I137-A206 HydrophobicContact CG1-CB 3.99Å; K195-A206 CarbonylContact C-O 3.36Å; K195-A206 WeakPolarHBondContact CA-O 3.27Å; E196-A206 PolarHBondContact N-O 3.1Å; G197-A206 WeakPolarHBondContact CA-O 3.4Å; G197-A206 PolarHBondContact N-O 2.98Å; I204-A206 PolarHBondContact O-N 3.27Å
207D95.3Very high92.1Very high36 Ų3641.7 Ų41.719%0.19323%0.228CC..PPolyproline II helixtrans-77.7147.8168.3-65.5-10.6000109.4Q133 P136 I137 T192 P194 K195Q133-D207 PolarHBondContact NE2-OD1 3.11Å; P136-D207 CarbonylContact C-O 3.55Å; P136-D207 WeakPolarHBondContact CA-O 3.41Å; P136-D207 HydrophobicContact CB-CB 4.31Å; I137-D207 PolarHBondContact N-O 3.48Å; T192-D207 HydrophobicContact CG2-CB 3.89Å; P194-D207 VanDerWaalsContact CA-OD1 3.28Å; P194-D207 WeakPolarHBondContact CA-OD1 3.3Å; K195-D207 PolarHBondContact N-OD1 2.84Å
208I96.1Very high92.2Very high4 Ų450.1 Ų50.12%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-106.2123.2171.7-64.8179000108I137 I158 F193 E196 F210I137-I208 HydrophobicContact CB-CG1 4.43Å; I137-I208 WeakPolarHBondContact O-CA 3.34Å; I158-I208 HydrophobicContact CB-CD1 4.38Å; I158-I208 HydrophobicContact CD1-CD1 3.54Å; I158-I208 HydrophobicContact CG2-CD1 4.2Å; F193-I208 PolarHBondContact N-O 3.12Å; F193-I208 PolarHBondContact O-N 3.09Å; E196-I208 HydrophobicContact CB-CB 4.41Å; E196-I208 HydrophobicContact CB-CD1 3.82Å; E196-I208 HydrophobicContact CB-CG1 4.09Å; E196-I208 VanDerWaalsContact O-CD1 3.26Å; E196-I208 WeakPolarHBondContact O-CD1 3.47Å; I208-F210 HydrophobicContact CG2-CD2 4.22Å; I208-F210 HydrophobicContact CG2-CE2 3.65Å; I208-F210 HydrophobicContact CG2-CZ 4Å
209V97.1Very high92.3Very high2 Ų249.9 Ų49.91%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-113.9122.2-178.7-177.40000109.4P136 I137 E138 R139 R190 I191 T192 I211P136-V209 HydrophobicContact CB-CG2 3.77Å; I137-V209 PolarHBondContact O-N 3.49Å; E138-V209 CarbonylContact C-O 3.56Å; E138-V209 WeakPolarHBondContact CA-O 3.34Å; E138-V209 HydrophobicContact CG-CB 4.45Å; R139-V209 PolarHBondContact N-O 2.66Å; R190-V209 HydrophobicContact CB-CG1 3.93Å; R190-V209 HydrophobicContact CG-CG1 4.41Å; I191-V209 WeakPolarHBondContact O-CA 3.42Å; T192-V209 HydrophobicContact CG2-CG2 4.05Å; V209-I211 HydrophobicContact CG1-CG1 4.39Å
210F97.1Very high92.7Very high8 Ų847.5 Ų47.54%0.03525%0.249CC..EExtended strand (participates in β ladder)trans-94.1130.5169.8-67.4-87.1000110.3R139 M141 M156 I158 L177 L179 R190 I191 F193 I208R139-F210 HydrophobicContact CB-CD1 4.05Å; R139-F210 HydrophobicContact CB-CE1 4.12Å; R139-F210 CarbonylContact O-C 3.57Å; R139-F210 VanDerWaalsContact O-CA 3.27Å; R139-F210 WeakPolarHBondContact O-CA 3.48Å; M141-F210 HydrophobicContact CG-CB 4.39Å; M141-F210 HydrophobicContact SD-CB 3.77Å; M141-F210 HydrophobicContact SD-CD1 4.22Å; M141-F210 HydrophobicContact SD-CG 4.24Å; M156-F210 HydrophobicContact CB-CE1 3.94Å; M156-F210 HydrophobicContact CB-CZ 3.71Å; M156-F210 HydrophobicContact CG-CD1 4.38Å; M156-F210 HydrophobicContact CG-CE1 3.8Å; M156-F210 HydrophobicContact CG-CZ 4.01Å; I158-F210 HydrophobicContact CG2-CZ 4.38Å; L177-F210 HydrophobicContact CD1-CE2 3.79Å; L177-F210 HydrophobicContact CD1-CZ 4.32Å; L179-F210 HydrophobicContact CD1-CB 3.83Å; L179-F210 HydrophobicContact CD1-CD2 4.25Å; L179-F210 HydrophobicContact CD1-CG 4.11Å; R190-F210 WeakPolarHBondContact CA-O 3.49Å; I191-F210 PolarHBondContact N-O 3.03Å; I191-F210 PolarHBondContact O-N 2.93Å; F193-F210 AromaticContact CD2-CD2 3.63Å; F193-F210 HydrophobicContact CD2-CD2 3.63Å; F193-F210 AromaticContact CD2-CE2 3.74Å; F193-F210 HydrophobicContact CD2-CE2 3.74Å; F193-F210 AromaticContact CE2-CD2 3.49Å; F193-F210 HydrophobicContact CE2-CD2 3.49Å; F193-F210 VanDerWaalsContact CE2-CD2 3.49Å; F193-F210 AromaticContact CE2-CE2 3.74Å; F193-F210 HydrophobicContact CE2-CE2 3.74Å; I208-F210 HydrophobicContact CG2-CD2 4.22Å; I208-F210 HydrophobicContact CG2-CE2 3.65Å; I208-F210 HydrophobicContact CG2-CZ 4Å
211I97.1Very high93.3Very high12 Ų1253.6 Ų53.66%0.06227%0.271CS..EExtended strand (participates in β ladder)trans-108.9120.2178.9-53.8178.4000108.2E138 R139 E140 M141 R190 V209E138-I211 HydrophobicContact CB-CD1 4.14Å; E138-I211 HydrophobicContact CG-CD1 4.44Å; E138-I211 WeakPolarHBondContact OE2-CD1 3.48Å; R139-I211 PolarHBondContact O-N 2.83Å; E140-I211 WeakPolarHBondContact CA-O 3.44Å; M141-I211 PolarHBondContact N-O 3.32Å; R190-I211 HydrophobicContact CG-CG1 4.4Å; V209-I211 HydrophobicContact CG1-CG1 4.39Å
212L96.3Very high94.1Very high6 Ų650 Ų503%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-73.1133.5179.7-60.1-166.6000111.4M141 L143 V181 W185 G188 T189 I191M141-L212 HydrophobicContact CE-CD2 3.72Å; M141-L212 HydrophobicContact CG-CD2 3.41Å; M141-L212 VanDerWaalsContact CG-CD2 3.41Å; M141-L212 HydrophobicContact SD-CD2 3.38Å; M141-L212 WeakPolarHBondContact SD-CD2 3.27Å; L143-L212 HydrophobicContact CD1-CD1 4.12Å; L143-L212 HydrophobicContact CD1-CD2 3.9Å; L143-L212 HydrophobicContact CD1-CG 4.48Å; V181-L212 HydrophobicContact CG1-CD1 4.24Å; W185-L212 HydrophobicContact CB-CD1 4.38Å; W185-L212 HydrophobicContact CE3-CD1 3.56Å; W185-L212 HydrophobicContact CZ3-CD1 4.23Å; G188-L212 PolarHBondContact N-O 3.2Å; T189-L212 HydrophobicContact CG2-CD1 4.48Å; T189-L212 PolarHBondContact O-N 3.23Å; I191-L212 HydrophobicContact CD1-CD1 4.16Å; I191-L212 HydrophobicContact CD1-CD2 3.89Å; I191-L212 HydrophobicContact CD1-CG 4.03Å
213R96.8Very high94.9Very high83 Ų8352.3 Ų52.331%0.31325%0.253SS..EExtended strand (participates in β ladder)trans-127.9144174.4-65.2-62.1-174.6-168.2-3.9110.4E140 M141 S142 L143 E187 H215E140-R213 HydrophobicContact CB-CG 4.19Å; E140-R213 IonicContact OE1-CZ 2.75Å; E140-R213 IonicContact OE1-NE 3.03Å; E140-R213 PolarHBondContact OE1-NE 3.44Å; E140-R213 IonicContact OE1-NH2 2.89Å; E140-R213 PolarHBondContact OE1-NH2 3.33Å; M141-R213 PolarHBondContact O-N 3.06Å; S142-R213 CarbonylContact C-O 3.5Å; S142-R213 VanDerWaalsContact CA-O 3.3Å; S142-R213 WeakPolarHBondContact CA-O 3.21Å; L143-R213 PolarHBondContact N-O 3.4Å; E187-R213 VanDerWaalsContact OE1-CD 3.22Å; E187-R213 WeakPolarHBondContact OE1-CD 3.36Å; E187-R213 IonicContact OE1-CZ 3.25Å; E187-R213 IonicContact OE1-NE 2.76Å; E187-R213 IonicContact OE1-NH1 3.43Å; E187-R213 PolarHBondContact OE1-NH1 3.24Å; R213-H215 PolarHBondContact O-N 2.75Å
214D95.7Very high95.4Very high40 Ų4052 Ų5221%0.21426%0.26CS..EExtended strand (participates in β ladder)trans-74.6126.6172.2-70.3-9.9000109.3I148 R222I148-D214 VanDerWaalsContact CD1-OD1 3.24Å; I148-D214 WeakPolarHBondContact CD1-OD1 3.37Å; D214-R222 IonicContact OD1-NH1 3.94Å; D214-R222 PolarHBondContact OD1-NH1 2.93Å; D214-R222 WeakPolarHBondContact OD2-CB 3.07Å; D214-R222 WeakPolarHBondContact OD2-CD 3.44Å
215H96.4Very high95.8Very high90 Ų9051.3 Ų51.342%0.41726%0.258SS..PPolyproline II helixtrans-72.3133169.2-170.682000109L143 R213 H217L143-H215 WeakPolarHBondContact O-CB 3.27Å; L143-H215 PolarHBondContact O-N 3.31Å; R213-H215 PolarHBondContact O-N 2.75Å; H215-H217 PolarHBondContact O-N 3.03Å; H215-H217 VanDerWaalsContact O-N 3.1Å
216P96.6Very high96.1Very high109 Ų10951.3 Ų51.371%0.70826%0.257SS*.PPolyproline II helixtrans-52.9120.2177.2-27.635.4000111.6
217H96.6Very high96.4Very high53 Ų5351.3 Ų51.325%0.24526%0.256CS..PPolyproline II helixtrans-97.3149.3-179.2-174.9-98.1000111.1L145 E146 H215 H219 F220L145-H217 HydrophobicContact CD1-CB 3.63Å; L145-H217 HydrophobicContact CG-CB 4.11Å; E146-H217 IonicContact OE1-CD2 3.35Å; E146-H217 PolarHBondContact OE1-CD2 3.27Å; E146-H217 IonicContact OE1-NE2 3.05Å; E146-H217 PolarHBondContact OE1-NE2 2.94Å; H215-H217 PolarHBondContact O-N 3.03Å; H215-H217 VanDerWaalsContact O-N 3.1Å; H217-H219 VanDerWaalsContact C-N 3.35Å; H217-H219 PolarHBondContact ND1-N 2.92Å; H217-H219 VanDerWaalsContact ND1-N 3.17Å; H217-H219 PolarHBondContact O-N 3.07Å; H217-F220 WeakPolarHBondContact CB-O 3.33Å; H217-F220 AromaticContact CE1-CD2 3.34Å; H217-F220 WeakPolarHBondContact CE1-CD2 3.5Å; H217-F220 AromaticContact CE1-CE2 3.98Å; H217-F220 AromaticContact ND1-CD2 3.39Å; H217-F220 WeakPolarHBondContact ND1-CD2 3.43Å; H217-F220 AromaticContact ND1-CG 3.88Å; H217-F220 PolarHBondContact ND1-N 3.1Å
218K94.1Very high96.5Very high179 Ų17949.9 Ų49.978%0.77825%0.249SC*.SBendtrans-66-35.7-174.6-177.9-179.4172.3-165.70113.3
219H95.1Very high96.6Very high76 Ų7650.3 Ų50.335%0.35225%0.251SS..SBendtrans-118.2-22.6-169.6-66.8-64.6000114.1H217 F229H217-H219 VanDerWaalsContact C-N 3.35Å; H217-H219 PolarHBondContact ND1-N 2.92Å; H217-H219 VanDerWaalsContact ND1-N 3.17Å; H217-H219 PolarHBondContact O-N 3.07Å; H219-F229 HydrophobicContact CB-CD2 4.05Å; H219-F229 HydrophobicContact CB-CE2 3.87Å; H219-F229 VanDerWaalsContact O-CD2 3.25Å; H219-F229 WeakPolarHBondContact O-CD2 3.31Å
220F97.9Very high96.6Very high12 Ų1254.1 Ų54.15%0.05327%0.274CS..EExtended strand (participates in β ladder)trans-125145.8-169.4-61.5-67.8000110.3L145 H217 L227 I228 F229 V246 P247 L249 L287L145-F220 HydrophobicContact CD1-CB 3.78Å; H217-F220 WeakPolarHBondContact CB-O 3.33Å; H217-F220 AromaticContact CE1-CD2 3.34Å; H217-F220 WeakPolarHBondContact CE1-CD2 3.5Å; H217-F220 AromaticContact CE1-CE2 3.98Å; H217-F220 AromaticContact ND1-CD2 3.39Å; H217-F220 WeakPolarHBondContact ND1-CD2 3.43Å; H217-F220 AromaticContact ND1-CG 3.88Å; H217-F220 PolarHBondContact ND1-N 3.1Å; F220-L227 HydrophobicContact CB-CD2 4.32Å; F220-L227 HydrophobicContact CD1-CB 4.25Å; F220-I228 CarbonylContact C-O 3.56Å; F220-I228 VanDerWaalsContact CA-O 3.28Å; F220-I228 WeakPolarHBondContact CA-O 3.09Å; F220-F229 HydrophobicContact CD1-CB 3.86Å; F220-F229 AromaticContact CD1-CD2 3.94Å; F220-F229 HydrophobicContact CD1-CD2 3.94Å; F220-F229 HydrophobicContact CD1-CG 4.39Å; F220-F229 HydrophobicContact CE1-CB 3.77Å; F220-F229 AromaticContact CE1-CD2 3.57Å; F220-F229 HydrophobicContact CE1-CD2 3.57Å; F220-F229 HydrophobicContact CE1-CG 4.03Å; F220-F229 HydrophobicContact CZ-CD2 4.12Å; F220-V246 HydrophobicContact CE1-CG1 3.78Å; F220-V246 HydrophobicContact CZ-CG1 3.71Å; F220-P247 WeakPolarHBondContact CE2-O 3.35Å; F220-P247 WeakPolarHBondContact CZ-O 3.21Å; F220-L249 HydrophobicContact CD2-CD2 3.83Å; F220-L249 HydrophobicContact CD2-CG 4.37Å; F220-L249 HydrophobicContact CE2-CD2 4.07Å; F220-L249 HydrophobicContact CE2-CG 4.39Å; F220-L287 HydrophobicContact CD1-CD1 4.22Å; F220-L287 HydrophobicContact CE1-CD1 3.79Å
221K97.2Very high96.5Very high147 Ų14754.4 Ų54.464%0.63928%0.277SS*.EExtended strand (participates in β ladder)trans-119.4126.5162.8179.9-177.4178.4-174.50107.5I228K221-I228 HydrophobicContact CB-CB 4.36Å; K221-I228 PolarHBondContact N-O 3.16Å; K221-I228 WeakPolarHBondContact O-CB 3.3Å; K221-I228 PolarHBondContact O-N 3.22Å
222R97Very high96.5Very high22 Ų2257.3 Ų57.38%0.08330%0.297CS..EExtended strand (participates in β ladder)trans-76.8139175.7-172.2-177.4-179.6-174.22.2110.4L145 G184 W185 D214 G224 L227 M275L145-R222 HydrophobicContact CD2-CB 3.91Å; G184-R222 PolarHBondContact O-NH2 2.94Å; W185-R222 VanDerWaalsContact O-CZ 3.25Å; W185-R222 PolarHBondContact O-NH1 3.25Å; W185-R222 PolarHBondContact O-NH2 3.37Å; D214-R222 IonicContact OD1-NH1 3.94Å; D214-R222 PolarHBondContact OD1-NH1 2.93Å; D214-R222 WeakPolarHBondContact OD2-CB 3.07Å; D214-R222 WeakPolarHBondContact OD2-CD 3.44Å; R222-G224 WeakPolarHBondContact CG-O 3.39Å; R222-G224 PolarHBondContact NE-O 2.88Å; R222-L227 HydrophobicContact CB-CD2 4.35Å; R222-M275 HydrophobicContact CG-CG 4.05Å
223E95.6Very high96.6Very high103 Ų10357 Ų5748%0.48130%0.295SS..EExtended strand (participates in β ladder)trans-133.393.2170.8-172.9170.2-173.700108.4T225 D226 I228 R290E223-T225 PolarHBondContact O-N 3.39Å; E223-D226 PolarHBondContact N-O 2.73Å; E223-D226 PolarHBondContact O-N 2.93Å; E223-I228 HydrophobicContact CB-CD1 4.08Å; E223-I228 WeakPolarHBondContact OE2-CD1 3.3Å; E223-R290 IonicContact OE2-NH2 3.84Å
224G94.4Very high96.6Very high43 Ų4355.7 Ų55.744%0.44330%0.297SS..THydrogen-bonded Turntrans63.3-110-171.600000111.5R222R222-G224 WeakPolarHBondContact CG-O 3.39Å; R222-G224 PolarHBondContact NE-O 2.88Å
225T95.8Very high96.6Very high32 Ų3256 Ų5620%0.19630%0.298CS..THydrogen-bonded Turntrans-96.8-12.1177.353.20000112.9Y186 E223 M275 L277Y186-T225 HydrophobicContact CE1-CG2 4.03Å; E223-T225 PolarHBondContact O-N 3.39Å; T225-M275 WeakPolarHBondContact O-CA 3.39Å; T225-M275 WeakPolarHBondContact O-CB 3.49Å; T225-M275 PolarHBondContact O-N 3.38Å; T225-L277 HydrophobicContact CG2-CD2 3.45Å; T225-L277 VanDerWaalsContact CG2-CD2 3.45Å
226D97.5Very high96.6Very high17 Ų1753.7 Ų53.79%0.09130%0.299CS..EExtended strand (participates in β ladder)trans-93.7155.5-175.6-67-1.4000110.5E223 D286 R288E223-D226 PolarHBondContact N-O 2.73Å; E223-D226 PolarHBondContact O-N 2.93Å; D226-D286 CarbonylContact C-O 3.56Å; D226-D286 WeakPolarHBondContact CA-O 3.27Å; D226-D286 VanDerWaalsContact CB-O 3.31Å; D226-D286 WeakPolarHBondContact CB-O 3.25Å; D226-D286 PolarHBondContact OD1-N 3.15Å; D226-R288 IonicContact OD2-CZ 3.75Å; D226-R288 VanDerWaalsContact OD2-CZ 3.25Å; D226-R288 IonicContact OD2-NE 2.91Å; D226-R288 PolarHBondContact OD2-NE 3.34Å; D226-R288 IonicContact OD2-NH2 3.57Å; D226-R288 PolarHBondContact OD2-NH2 3.47Å
227L97.9Very high96.6Very high3 Ų353.1 Ų53.12%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-112.6128.1173.3-69.2175.7000109.6L145 F220 R222 L249 M275 D286 L287 R288L145-L227 HydrophobicContact CD1-CD2 4.14Å; F220-L227 HydrophobicContact CB-CD2 4.32Å; F220-L227 HydrophobicContact CD1-CB 4.25Å; R222-L227 HydrophobicContact CB-CD2 4.35Å; L227-L249 HydrophobicContact CD1-CD1 3.59Å; L227-L249 HydrophobicContact CD1-CG 4.11Å; L227-L249 HydrophobicContact CD2-CD1 4.37Å; L227-M275 HydrophobicContact CD1-SD 4.35Å; L227-M275 HydrophobicContact CD2-CG 3.82Å; L227-M275 HydrophobicContact CD2-SD 3.86Å; L227-M275 HydrophobicContact CG-CG 4.1Å; L227-M275 HydrophobicContact CG-SD 4.35Å; L227-D286 PolarHBondContact N-O 2.97Å; L227-L287 HydrophobicContact CB-CD1 4.02Å; L227-L287 CarbonylContact O-C 3.57Å; L227-L287 WeakPolarHBondContact O-CA 3.33Å; L227-R288 PolarHBondContact O-N 2.98Å
228I98.2Very high96.6Very high6 Ų650.6 Ų50.63%0.03128%0.275CS..EExtended strand (participates in β ladder)trans-96.5121.8171.7-58.8164.8000108.8F220 K221 E223 R288 R290F220-I228 CarbonylContact C-O 3.56Å; F220-I228 VanDerWaalsContact CA-O 3.28Å; F220-I228 WeakPolarHBondContact CA-O 3.09Å; K221-I228 HydrophobicContact CB-CB 4.36Å; K221-I228 PolarHBondContact N-O 3.16Å; K221-I228 WeakPolarHBondContact O-CB 3.3Å; K221-I228 PolarHBondContact O-N 3.22Å; E223-I228 HydrophobicContact CB-CD1 4.08Å; E223-I228 WeakPolarHBondContact OE2-CD1 3.3Å; I228-R288 WeakPolarHBondContact CA-O 3.46Å; I228-R290 HydrophobicContact CG2-CG 4.13Å
229F98Very high96.7Very high14 Ų1445.2 Ų45.26%0.06125%0.254CS..EExtended strand (participates in β ladder)trans-111.8122.6171.6-179.8-101.8000109.4H219 F220 I244 V246 L287 R288 I289 R290H219-F229 HydrophobicContact CB-CD2 4.05Å; H219-F229 HydrophobicContact CB-CE2 3.87Å; H219-F229 VanDerWaalsContact O-CD2 3.25Å; H219-F229 WeakPolarHBondContact O-CD2 3.31Å; F220-F229 HydrophobicContact CD1-CB 3.86Å; F220-F229 AromaticContact CD1-CD2 3.94Å; F220-F229 HydrophobicContact CD1-CD2 3.94Å; F220-F229 HydrophobicContact CD1-CG 4.39Å; F220-F229 HydrophobicContact CE1-CB 3.77Å; F220-F229 AromaticContact CE1-CD2 3.57Å; F220-F229 HydrophobicContact CE1-CD2 3.57Å; F220-F229 HydrophobicContact CE1-CG 4.03Å; F220-F229 HydrophobicContact CZ-CD2 4.12Å; F229-I244 HydrophobicContact CE1-CG2 3.87Å; F229-V246 HydrophobicContact CD1-CG1 4.44Å; F229-V246 HydrophobicContact CD1-CG2 3.97Å; F229-V246 HydrophobicContact CD2-CG1 4.16Å; F229-V246 HydrophobicContact CE1-CG2 3.95Å; F229-V246 HydrophobicContact CE2-CG1 4.36Å; F229-V246 HydrophobicContact CG-CG1 4.2Å; F229-V246 HydrophobicContact CZ-CG2 4.49Å; F229-L287 HydrophobicContact CB-CD1 3.94Å; F229-R288 PolarHBondContact N-O 3.12Å; F229-I289 HydrophobicContact CD1-CG1 4.49Å; F229-I289 HydrophobicContact CD1-CG2 4.2Å; F229-I289 CarbonylContact O-C 3.5Å; F229-I289 WeakPolarHBondContact O-CA 3.35Å; F229-R290 PolarHBondContact O-N 2.98Å
230T97.2Very high96.7Very high82 Ų8249.1 Ų49.150%0.50328%0.277SS..EExtended strand (participates in β ladder)trans-103112.1177.8-54.40000110.3R290 N292T230-R290 CarbonylContact C-O 3.25Å; T230-R290 WeakPolarHBondContact CA-O 3.31Å; T230-N292 HydrophobicContact CG2-CB 4.34Å
231S96.2Very high96.5Very high13 Ų1349.5 Ų49.59%0.09128%0.284CS..EExtended strand (participates in β ladder)trans-102.3130.9179.5-165.30000112R290 F291 N292S231-R290 PolarHBondContact N-O 3.44Å; S231-F291 WeakPolarHBondContact O-CA 2.99Å; S231-N292 PolarHBondContact O-N 3.45Å
232P96.6Very high96.5Very high74 Ų7443.3 Ų43.348%0.48126%0.259SS..EExtended strand (participates in β ladder)trans-69.3133.2165.827.9-30.7000110.8N292 Q294P232-N292 WeakPolarHBondContact CA-O 3.41Å; P232-Q294 HydrophobicContact CB-CG 4.42Å
233V96.8Very high96.5Very high0 Ų047.6 Ų47.60%028%0.283CS..EExtended strand (participates in β ladder)trans-136.2124.4177.8179.80000110.5Q237 A238 I244 I262 F291 N292 I293 Q294V233-Q237 HydrophobicContact CG1-CB 3.74Å; V233-A238 HydrophobicContact CG1-CB 4.18Å; V233-I244 HydrophobicContact CG2-CD1 3.79Å; V233-I262 HydrophobicContact CG1-CD1 4.23Å; V233-F291 HydrophobicContact CG2-CD1 3.63Å; V233-F291 HydrophobicContact CG2-CE1 4.28Å; V233-N292 PolarHBondContact N-O 3.49Å; V233-I293 CarbonylContact O-C 3.54Å; V233-I293 WeakPolarHBondContact O-CA 3.1Å; V233-Q294 PolarHBondContact O-N 2.95Å
234P97.6Very high96.6Very high54 Ų5443.2 Ų43.235%0.35126%0.263SS..EExtended strand (participates in β ladder)trans-58.2141.9172.4-23.933.8000112.6G236 Q237 A238P234-G236 PolarHBondContact O-N 3.38Å; P234-G236 VanDerWaalsContact O-N 3.09Å; P234-Q237 WeakPolarHBondContact O-CA 3.46Å; P234-Q237 WeakPolarHBondContact O-CB 3.34Å; P234-Q237 PolarHBondContact O-N 3.05Å; P234-A238 PolarHBondContact O-N 3.38Å
235L96.4Very high96.7Very high47 Ų4745 Ų4525%0.24626%0.262CS..Hα-helixtrans-50.9-40-178.5179.665.8000113.6Q237 A238 L239 I293 Q294 F295L235-Q237 PolarHBondContact O-N 2.92Å; L235-A238 WeakPolarHBondContact O-CB 3.49Å; L235-A238 PolarHBondContact O-N 2.81Å; L235-L239 HydrophobicContact CD1-CD1 4.17Å; L235-L239 HydrophobicContact CD1-CG 4.28Å; L235-L239 HydrophobicContact CG-CD1 4.03Å; L235-L239 WeakPolarHBondContact O-CG 3.22Å; L235-L239 PolarHBondContact O-N 3.01Å; L235-I293 HydrophobicContact CB-CG2 4.27Å; L235-I293 HydrophobicContact CD1-CG2 3.93Å; L235-Q294 PolarHBondContact N-O 3.2Å; L235-F295 HydrophobicContact CD1-CD1 4.41Å; L235-F295 HydrophobicContact CD1-CE1 3.88Å; L235-F295 HydrophobicContact CD1-CZ 4.07Å; L235-F295 HydrophobicContact CD2-CD1 3.69Å; L235-F295 HydrophobicContact CD2-CE1 3.77Å; L235-F295 HydrophobicContact CG-CD1 4.49Å; L235-F295 HydrophobicContact CG-CE1 4.39Å
236G95Very high96.8Very high41 Ų4143.4 Ų43.442%0.42325%0.252SS..Hα-helixtrans-61.7-42.4177.600000112.8P234 L239 L240P234-G236 PolarHBondContact O-N 3.38Å; P234-G236 VanDerWaalsContact O-N 3.09Å; G236-L239 PolarHBondContact O-N 2.85Å; G236-L240 VanDerWaalsContact O-CB 3.32Å; G236-L240 WeakPolarHBondContact O-CB 3.17Å; G236-L240 VanDerWaalsContact O-CG 3.28Å; G236-L240 WeakPolarHBondContact O-CG 3.34Å; G236-L240 PolarHBondContact O-N 2.78Å
237Q96.6Very high96.7Very high97 Ų9745.1 Ų45.145%0.45326%0.264SS..Hα-helixtrans-69.6-33.9174.7-78.4-175.4-1.300112V233 P234 L235 L239 G241 C242V233-Q237 HydrophobicContact CG1-CB 3.74Å; P234-Q237 WeakPolarHBondContact O-CA 3.46Å; P234-Q237 WeakPolarHBondContact O-CB 3.34Å; P234-Q237 PolarHBondContact O-N 3.05Å; L235-Q237 PolarHBondContact O-N 2.92Å; Q237-L239 VanDerWaalsContact C-N 3.26Å; Q237-L239 PolarHBondContact O-N 3.49Å; Q237-G241 CarbonylContact O-C 3.19Å; Q237-G241 VanDerWaalsContact O-C 3.25Å; Q237-G241 WeakPolarHBondContact O-CA 3.32Å; Q237-G241 PolarHBondContact O-N 3.19Å; Q237-C242 HydrophobicContact CB-CB 3.96Å; Q237-C242 HydrophobicContact CG-CB 4.32Å
238A96.9Very high96.7Very high1 Ų145.7 Ų45.71%0.00827%0.268CS..Hα-helixtrans-62.3-33.5173.900000112.7V233 P234 L235 I262 I293V233-A238 HydrophobicContact CG1-CB 4.18Å; P234-A238 PolarHBondContact O-N 3.38Å; L235-A238 WeakPolarHBondContact O-CB 3.49Å; L235-A238 PolarHBondContact O-N 2.81Å; A238-I262 HydrophobicContact CB-CB 3.93Å; A238-I262 HydrophobicContact CB-CG2 4.46Å; A238-I262 PolarHBondContact O-N 3.21Å; A238-I293 HydrophobicContact CB-CG2 4.28Å
239L96Very high96.5Very high65 Ų6546.1 Ų46.134%0.3427%0.27SS..Hα-helixtrans-88.2-32.3-179.7-66.9168.9000113.8L235 G236 Q237 I261 F311L235-L239 HydrophobicContact CD1-CD1 4.17Å; L235-L239 HydrophobicContact CD1-CG 4.28Å; L235-L239 HydrophobicContact CG-CD1 4.03Å; L235-L239 WeakPolarHBondContact O-CG 3.22Å; L235-L239 PolarHBondContact O-N 3.01Å; G236-L239 PolarHBondContact O-N 2.85Å; Q237-L239 VanDerWaalsContact C-N 3.26Å; Q237-L239 PolarHBondContact O-N 3.49Å; L239-I261 HydrophobicContact CD2-CG2 4.1Å; L239-F311 HydrophobicContact CD1-CZ 3.89Å; L239-F311 HydrophobicContact CD2-CZ 4.37Å
240L95.6Very high96.3Very high158 Ų15848.4 Ų48.483%0.82728%0.283SS*.Hα-helixtrans-99.4-11.2-174.1-63.2174.1000113.8G236G236-L240 VanDerWaalsContact O-CB 3.32Å; G236-L240 WeakPolarHBondContact O-CB 3.17Å; G236-L240 VanDerWaalsContact O-CG 3.28Å; G236-L240 WeakPolarHBondContact O-CG 3.34Å; G236-L240 PolarHBondContact O-N 2.78Å
241G95.1Very high96.2Very high20 Ų2047.9 Ų47.921%0.20629%0.294CS..  trans93.8155.7-170.700000112.6Q237 I258Q237-G241 CarbonylContact O-C 3.19Å; Q237-G241 VanDerWaalsContact O-C 3.25Å; Q237-G241 WeakPolarHBondContact O-CA 3.32Å; Q237-G241 PolarHBondContact O-N 3.19Å; G241-I258 CarbonylContact C-O 3.54Å; G241-I258 WeakPolarHBondContact CA-O 3.46Å
242C95.9Very high96.2Very high17 Ų1752.2 Ų52.212%0.11531%0.308CS..EExtended strand (participates in β ladder)trans-154.8170.9-179.460.10000111.3Q237 I258Q237-C242 HydrophobicContact CB-CB 3.96Å; Q237-C242 HydrophobicContact CG-CB 4.32Å; C242-I258 PolarHBondContact N-O 3.21Å; C242-I258 PolarHBondContact O-N 3.29Å
243I97.3Very high96.2Very high113 Ų11353.2 Ų53.258%0.57931%0.309SS*.EExtended strand (participates in β ladder)trans-112.9129.5170.3-58.5171.7000106.6H255 V256 P257I243-H255 HydrophobicContact CG2-CB 4.27Å; I243-V256 WeakPolarHBondContact CA-O 3.15Å; I243-P257 HydrophobicContact CG1-CB 4.46Å
244I97.1Very high96.2Very high10 Ų1054.8 Ų54.85%0.05132%0.317CS..EExtended strand (participates in β ladder)trans-106.9126.4176.2-57.5-57.1000109.1F229 V233 V246 V256 I258 F291F229-I244 HydrophobicContact CE1-CG2 3.87Å; V233-I244 HydrophobicContact CG2-CD1 3.79Å; I244-V246 HydrophobicContact CG2-CG2 3.96Å; I244-V256 PolarHBondContact N-O 3.04Å; I244-V256 PolarHBondContact O-N 2.96Å; I244-I258 HydrophobicContact CG1-CG1 4.22Å; I244-F291 HydrophobicContact CD1-CE1 4.42Å; I244-F291 HydrophobicContact CG1-CE1 3.96Å
245D97.3Very high96.2Very high80 Ų8057.5 Ų57.543%0.42833%0.325SS..EExtended strand (participates in β ladder)trans-94.5115.3175.9-65.6-8.1000109.2L253 L254 H255D245-L253 HydrophobicContact CB-CD1 3.97Å; D245-L253 HydrophobicContact CB-CD2 4.35Å; D245-L253 HydrophobicContact CB-CG 4.2Å; D245-L254 WeakPolarHBondContact CA-O 3.27Å; D245-H255 VanDerWaalsContact CG-ND1 3.35Å; D245-H255 IonicContact OD1-CE1 3.44Å; D245-H255 PolarHBondContact OD1-CE1 2.8Å; D245-H255 IonicContact OD1-CG 3.77Å; D245-H255 IonicContact OD1-ND1 2.68Å; D245-H255 PolarHBondContact OD1-ND1 3.42Å; D245-H255 IonicContact OD2-CE1 3.74Å; D245-H255 IonicContact OD2-ND1 3.75Å
246V97.6Very high96.3Very high0 Ų055.8 Ų55.80%032%0.316CS..EExtended strand (participates in β ladder)trans-107.2115.7-178.3-175.40000109.8F220 F229 I244 T248 L254 V256 L287 I289F220-V246 HydrophobicContact CE1-CG1 3.78Å; F220-V246 HydrophobicContact CZ-CG1 3.71Å; F229-V246 HydrophobicContact CD1-CG1 4.44Å; F229-V246 HydrophobicContact CD1-CG2 3.97Å; F229-V246 HydrophobicContact CD2-CG1 4.16Å; F229-V246 HydrophobicContact CE1-CG2 3.95Å; F229-V246 HydrophobicContact CE2-CG1 4.36Å; F229-V246 HydrophobicContact CG-CG1 4.2Å; F229-V246 HydrophobicContact CZ-CG2 4.49Å; I244-V246 HydrophobicContact CG2-CG2 3.96Å; V246-T248 PolarHBondContact O-N 3.34Å; V246-T248 VanDerWaalsContact O-N 3.11Å; V246-L254 HydrophobicContact CB-CB 4.33Å; V246-L254 PolarHBondContact N-O 3.36Å; V246-L254 PolarHBondContact O-N 3.19Å; V246-V256 HydrophobicContact CG2-CG2 4.42Å; V246-L287 HydrophobicContact CB-CD2 4.39Å; V246-L287 HydrophobicContact CG1-CD2 3.91Å; V246-L287 HydrophobicContact CG2-CD2 4.34Å; V246-I289 HydrophobicContact CG2-CD1 3.93Å; V246-I289 HydrophobicContact CG2-CG1 4.49Å
247P96.6Very high96.4Very high52 Ų5257.7 Ų57.734%0.33832%0.321SS..EExtended strand (participates in β ladder)trans-76.695.7173.430.8-32.3000109.3F220F220-P247 WeakPolarHBondContact CE2-O 3.35Å; F220-P247 WeakPolarHBondContact CZ-O 3.21Å
248T96.1Very high96.4Very high15 Ų1553.2 Ų53.29%0.09230%0.3CS..  trans-68.4160.1-176.659.70000112.4V246 D250 G251 R252 L254V246-T248 PolarHBondContact O-N 3.34Å; V246-T248 VanDerWaalsContact O-N 3.11Å; T248-D250 PolarHBondContact O-N 2.99Å; T248-D250 PolarHBondContact OG1-OD1 3.37Å; T248-G251 PolarHBondContact O-N 3.29Å; T248-R252 PolarHBondContact N-O 3.38Å; T248-R252 WeakPolarHBondContact OG1-CA 3.16Å; T248-R252 WeakPolarHBondContact OG1-CB 3.33Å; T248-R252 PolarHBondContact OG1-N 3.5Å; T248-R252 PolarHBondContact OG1-O 2.87Å; T248-L254 HydrophobicContact CG2-CB 3.89Å
249L95.7Very high96.3Very high16 Ų1659.2 Ų59.28%0.08434%0.337CS..THydrogen-bonded Turntrans-66.3-16.4-177.5-64.9179000114.2L145 E146 Y149 F220 L227 M275L145-L249 HydrophobicContact CB-CD1 3.9Å; L145-L249 HydrophobicContact CB-CD2 3.94Å; E146-L249 HydrophobicContact CG-CD2 4.11Å; Y149-L249 HydrophobicContact CD1-CB 4.4Å; Y149-L249 HydrophobicContact CD2-CB 3.96Å; Y149-L249 HydrophobicContact CD2-CD1 3.77Å; Y149-L249 HydrophobicContact CE2-CB 4.25Å; Y149-L249 HydrophobicContact CG-CB 4.02Å; Y149-L249 HydrophobicContact CG-CD1 4.19Å; F220-L249 HydrophobicContact CD2-CD2 3.83Å; F220-L249 HydrophobicContact CD2-CG 4.37Å; F220-L249 HydrophobicContact CE2-CD2 4.07Å; F220-L249 HydrophobicContact CE2-CG 4.39Å; L227-L249 HydrophobicContact CD1-CD1 3.59Å; L227-L249 HydrophobicContact CD1-CG 4.11Å; L227-L249 HydrophobicContact CD2-CD1 4.37Å; L249-M275 HydrophobicContact CD1-SD 3.63Å
250D93.8Very high96.3Very high62 Ų6261 Ų6133%0.33234%0.344SS..THydrogen-bonded Turntrans-92.23.1175.567.116.7000113.3Y149 T248 R252Y149-D250 HydrophobicContact CE1-CB 3.98Å; T248-D250 PolarHBondContact O-N 2.99Å; T248-D250 PolarHBondContact OG1-OD1 3.37Å; D250-R252 VanDerWaalsContact CG-NE 3.32Å; D250-R252 WeakPolarHBondContact OD1-CB 3.22Å; D250-R252 WeakPolarHBondContact OD1-CG 3.49Å; D250-R252 IonicContact OD1-CZ 3.79Å; D250-R252 PolarHBondContact OD1-N 2.94Å; D250-R252 IonicContact OD1-NE 3.11Å; D250-R252 PolarHBondContact OD1-NE 3.17Å; D250-R252 VanDerWaalsContact OD1-NE 3.11Å; D250-R252 IonicContact OD1-NH2 3.7Å; D250-R252 IonicContact OD2-CZ 3.22Å; D250-R252 IonicContact OD2-NE 2.82Å; D250-R252 PolarHBondContact OD2-NE 3.31Å; D250-R252 IonicContact OD2-NH2 2.73Å; D250-R252 PolarHBondContact OD2-NH2 3.27Å
251G94.2Very high96.3Very high70 Ų7058.7 Ų58.772%0.72233%0.331SS*.SBendtrans89.1-0.9177.300000115.1T248T248-G251 PolarHBondContact O-N 3.29Å
252R95.9Very high96.4Very high105 Ų10558 Ų5840%0.39632%0.322SS..  trans-74.4151.6171.8-63.8178.2-67.2125.13.9111.3T248 D250 E273T248-R252 PolarHBondContact N-O 3.38Å; T248-R252 WeakPolarHBondContact OG1-CA 3.16Å; T248-R252 WeakPolarHBondContact OG1-CB 3.33Å; T248-R252 PolarHBondContact OG1-N 3.5Å; T248-R252 PolarHBondContact OG1-O 2.87Å; D250-R252 VanDerWaalsContact CG-NE 3.32Å; D250-R252 WeakPolarHBondContact OD1-CB 3.22Å; D250-R252 WeakPolarHBondContact OD1-CG 3.49Å; D250-R252 IonicContact OD1-CZ 3.79Å; D250-R252 PolarHBondContact OD1-N 2.94Å; D250-R252 IonicContact OD1-NE 3.11Å; D250-R252 PolarHBondContact OD1-NE 3.17Å; D250-R252 VanDerWaalsContact OD1-NE 3.11Å; D250-R252 IonicContact OD1-NH2 3.7Å; D250-R252 IonicContact OD2-CZ 3.22Å; D250-R252 IonicContact OD2-NE 2.82Å; D250-R252 PolarHBondContact OD2-NE 3.31Å; D250-R252 IonicContact OD2-NH2 2.73Å; D250-R252 PolarHBondContact OD2-NH2 3.27Å; R252-E273 IonicContact CZ-OE1 3.53Å; R252-E273 IonicContact CZ-OE2 3.71Å; R252-E273 IonicContact NH1-OE1 2.9Å; R252-E273 PolarHBondContact NH1-OE1 2.9Å; R252-E273 IonicContact NH1-OE2 3.8Å; R252-E273 IonicContact NH2-OE1 3.19Å; R252-E273 PolarHBondContact NH2-OE1 2.9Å; R252-E273 IonicContact NH2-OE2 2.76Å; R252-E273 PolarHBondContact NH2-OE2 3.33Å
253L97Very high96.4Very high94 Ų9461.8 Ų61.849%0.49234%0.338SS..EExtended strand (participates in β ladder)trans-99.6109.4167.1-166.867.3000109D245D245-L253 HydrophobicContact CB-CD1 3.97Å; D245-L253 HydrophobicContact CB-CD2 4.35Å; D245-L253 HydrophobicContact CB-CG 4.2Å
254L97Very high96.2Very high33 Ų3361.3 Ų61.317%0.17334%0.343CS..EExtended strand (participates in β ladder)trans-89.9116.9-180-178.673.1000109.7D245 V246 T248 V256 V270 E273 L287D245-L254 WeakPolarHBondContact CA-O 3.27Å; V246-L254 HydrophobicContact CB-CB 4.33Å; V246-L254 PolarHBondContact N-O 3.36Å; V246-L254 PolarHBondContact O-N 3.19Å; T248-L254 HydrophobicContact CG2-CB 3.89Å; L254-V256 HydrophobicContact CD2-CG2 3.61Å; L254-V256 HydrophobicContact CG-CG2 3.69Å; L254-V270 HydrophobicContact CD2-CG1 4.05Å; L254-V270 HydrophobicContact CD2-CG2 4.47Å; L254-E273 HydrophobicContact CD2-CG 4.19Å; L254-L287 HydrophobicContact CD2-CD2 4.08Å
255H97.5Very high96.2Very high112 Ų11268 Ų6852%0.51938%0.379SS..EExtended strand (participates in β ladder)trans-89.9104.9176.5-63.7-66.9000110.3I243 D245 P257I243-H255 HydrophobicContact CG2-CB 4.27Å; D245-H255 VanDerWaalsContact CG-ND1 3.35Å; D245-H255 IonicContact OD1-CE1 3.44Å; D245-H255 PolarHBondContact OD1-CE1 2.8Å; D245-H255 IonicContact OD1-CG 3.77Å; D245-H255 IonicContact OD1-ND1 2.68Å; D245-H255 PolarHBondContact OD1-ND1 3.42Å; D245-H255 IonicContact OD2-CE1 3.74Å; D245-H255 IonicContact OD2-ND1 3.75Å; H255-P257 VanDerWaalsContact O-CD 3.32Å; H255-P257 WeakPolarHBondContact O-CD 3.37Å
256V97.5Very high96.1Very high10 Ų1065.4 Ų65.46%0.06136%0.363CS..EExtended strand (participates in β ladder)trans-104.9105.2-175.5-172.50000110.2I243 I244 V246 L254 I258 K268 V270 I289I243-V256 WeakPolarHBondContact CA-O 3.15Å; I244-V256 PolarHBondContact N-O 3.04Å; I244-V256 PolarHBondContact O-N 2.96Å; V246-V256 HydrophobicContact CG2-CG2 4.42Å; L254-V256 HydrophobicContact CD2-CG2 3.61Å; L254-V256 HydrophobicContact CG-CG2 3.69Å; V256-I258 HydrophobicContact CG1-CD1 3.89Å; V256-K268 HydrophobicContact CG1-CG 4.13Å; V256-V270 HydrophobicContact CG1-CG2 4.01Å; V256-V270 HydrophobicContact CG2-CG2 4.04Å; V256-I289 HydrophobicContact CB-CD1 4.14Å; V256-I289 HydrophobicContact CG1-CD1 4.05Å; V256-I289 HydrophobicContact CG2-CD1 3.97Å
257P97.5Very high96.1Very high82 Ų8268.9 Ų68.953%0.53238%0.379SS..EExtended strand (participates in β ladder)trans-73.1129.6173.829.5-33.3000110.8I243 H255I243-P257 HydrophobicContact CG1-CB 4.46Å; H255-P257 VanDerWaalsContact O-CD 3.32Å; H255-P257 WeakPolarHBondContact O-CD 3.37Å
258I97Very high96.2Very high3 Ų369.3 Ų69.32%0.01538%0.376CS..EExtended strand (participates in β ladder)trans-112107.8174.5-48-61.5000108.2G241 C242 I244 V256 I262 Y266 K268 F291G241-I258 CarbonylContact C-O 3.54Å; G241-I258 WeakPolarHBondContact CA-O 3.46Å; C242-I258 PolarHBondContact N-O 3.21Å; C242-I258 PolarHBondContact O-N 3.29Å; I244-I258 HydrophobicContact CG1-CG1 4.22Å; V256-I258 HydrophobicContact CG1-CD1 3.89Å; I258-I262 HydrophobicContact CB-CD1 4.45Å; I258-I262 HydrophobicContact CG2-CD1 3.88Å; I258-I262 HydrophobicContact CG2-CG1 3.81Å; I258-Y266 HydrophobicContact CG2-CE1 4.08Å; I258-K268 HydrophobicContact CD1-CB 3.73Å; I258-K268 HydrophobicContact CD1-CD 4Å; I258-K268 HydrophobicContact CD1-CG 3.51Å; I258-F291 HydrophobicContact CD1-CZ 3.98Å; I258-F291 HydrophobicContact CG1-CE1 4.3Å; I258-F291 HydrophobicContact CG1-CZ 4.04Å
259T95.6Very high96.2Very high126 Ų12671.4 Ų71.477%0.77339%0.388SS*.  trans-97.7-18.2178.752.30000113
260E95.2Very high96.3Very high103 Ų10371.7 Ų71.748%0.48139%0.391SS..SBendtrans-83.4155.3179.3-65.7174.5-147.900111I262 Y266E260-I262 PolarHBondContact O-N 3.43Å; E260-Y266 HydrophobicContact CB-CE2 4.3Å; E260-Y266 VanDerWaalsContact OE2-CE2 3.26Å; E260-Y266 WeakPolarHBondContact OE2-CE2 3.42Å
261I96.4Very high96.5Very high109 Ų10973.5 Ų73.556%0.55941%0.406SS*.  trans-70.5121.7176.5-63.2173.1000109.2L239 H263L239-I261 HydrophobicContact CD2-CG2 4.1Å; I261-H263 PolarHBondContact O-N 3.13Å
262I97Very high96.6Very high5 Ų571.7 Ų71.73%0.02639%0.387CS..  trans-80.6108.4179.1-62.4166.3000109.2V233 A238 I258 E260 Y266 F291 I293V233-I262 HydrophobicContact CG1-CD1 4.23Å; A238-I262 HydrophobicContact CB-CB 3.93Å; A238-I262 HydrophobicContact CB-CG2 4.46Å; A238-I262 PolarHBondContact O-N 3.21Å; I258-I262 HydrophobicContact CB-CD1 4.45Å; I258-I262 HydrophobicContact CG2-CD1 3.88Å; I258-I262 HydrophobicContact CG2-CG1 3.81Å; E260-I262 PolarHBondContact O-N 3.43Å; I262-Y266 HydrophobicContact CB-CD1 4.3Å; I262-Y266 HydrophobicContact CG1-CD1 3.98Å; I262-Y266 HydrophobicContact CG1-CE1 4.12Å; I262-Y266 HydrophobicContact CG2-CD1 4.26Å; I262-F291 HydrophobicContact CD1-CD1 3.78Å; I262-F291 HydrophobicContact CD1-CE1 3.71Å; I262-F291 HydrophobicContact CD1-CE2 4.5Å; I262-F291 HydrophobicContact CD1-CG 4.16Å; I262-F291 HydrophobicContact CD1-CZ 4.1Å; I262-F291 HydrophobicContact CG1-CD1 4.5Å; I262-F291 HydrophobicContact CG1-CD2 4.39Å; I262-F291 HydrophobicContact CG1-CE1 4.46Å; I262-F291 HydrophobicContact CG1-CE2 4.41Å; I262-F291 HydrophobicContact CG1-CG 4.43Å; I262-F291 HydrophobicContact CG1-CZ 4.43Å; I262-F291 HydrophobicContact CG2-CB 3.45Å; I262-F291 VanDerWaalsContact CG2-CB 3.45Å; I262-F291 HydrophobicContact CG2-CD1 4.21Å; I262-F291 HydrophobicContact CG2-CD2 3.68Å; I262-F291 HydrophobicContact CG2-CE2 4.48Å; I262-F291 HydrophobicContact CG2-CG 3.51Å; I262-I293 HydrophobicContact CG2-CD1 4.21Å; I262-I293 HydrophobicContact CG2-CG1 4.2Å; I262-I293 WeakPolarHBondContact O-CD1 3.46Å
263H95.2Very high96.7Very high98 Ų9868.3 Ų68.345%0.45438%0.376SS..  trans-100.3164.8168.363.285000111.1I261 N265 Y266I261-H263 PolarHBondContact O-N 3.13Å; H263-N265 PolarHBondContact O-N 3.12Å; H263-Y266 PolarHBondContact CE1-N 3.15Å; H263-Y266 VanDerWaalsContact CE1-N 3.3Å; H263-Y266 PolarHBondContact ND1-N 2.95Å; H263-Y266 WeakPolarHBondContact O-CB 3.35Å; H263-Y266 PolarHBondContact O-N 2.96Å
264P93.8Very high96.7Very high103 Ų10363.9 Ų63.967%0.66935%0.353SS*.THydrogen-bonded Turntrans-56.8-29.6-171.2-29.936.5000116.5I293P264-I293 HydrophobicContact CG-CD1 4.26Å
265N95.7Very high96.7Very high151 Ų15162.3 Ų62.381%0.80735%0.345SS*.THydrogen-bonded Turntrans-99.32.2178.1-62.1-18.6000113.2H263H263-N265 PolarHBondContact O-N 3.12Å
266Y96.6Very high96.7Very high25 Ų2557.1 Ų57.110%0.09832%0.321CS..  trans-70134.6177.3177.4-106.1000109.4I258 E260 I262 H263 K268 F291I258-Y266 HydrophobicContact CG2-CE1 4.08Å; E260-Y266 HydrophobicContact CB-CE2 4.3Å; E260-Y266 VanDerWaalsContact OE2-CE2 3.26Å; E260-Y266 WeakPolarHBondContact OE2-CE2 3.42Å; I262-Y266 HydrophobicContact CB-CD1 4.3Å; I262-Y266 HydrophobicContact CG1-CD1 3.98Å; I262-Y266 HydrophobicContact CG1-CE1 4.12Å; I262-Y266 HydrophobicContact CG2-CD1 4.26Å; H263-Y266 PolarHBondContact CE1-N 3.15Å; H263-Y266 VanDerWaalsContact CE1-N 3.3Å; H263-Y266 PolarHBondContact ND1-N 2.95Å; H263-Y266 WeakPolarHBondContact O-CB 3.35Å; H263-Y266 PolarHBondContact O-N 2.96Å; Y266-K268 HydrophobicContact CE1-CB 4.29Å; Y266-F291 AromaticContact CD1-CD2 3.84Å; Y266-F291 HydrophobicContact CD1-CD2 3.84Å; Y266-F291 AromaticContact CD1-CE2 3.54Å; Y266-F291 HydrophobicContact CD1-CE2 3.54Å; Y266-F291 HydrophobicContact CD1-CZ 4.5Å; Y266-F291 HydrophobicContact CE1-CD2 4.39Å; Y266-F291 AromaticContact CE1-CE2 3.65Å; Y266-F291 HydrophobicContact CE1-CE2 3.65Å; Y266-F291 HydrophobicContact CE1-CZ 4.26Å
267E97.1Very high96.6Very high73 Ų7359.2 Ų59.234%0.34133%0.332SS..EExtended strand (participates in β ladder)trans-127.1137.3170.563.2178.9-167.600109.9V269 R288 I289E267-V269 HydrophobicContact CG-CG2 4.47Å; E267-R288 IonicContact OE1-NH1 3.18Å; E267-I289 WeakPolarHBondContact CA-O 3.12Å
268K97.7Very high96.4Very high60 Ų6056.8 Ų56.826%0.26132%0.316SS..EExtended strand (participates in β ladder)trans-96.7117.2169.3-178.869.3173.5-179.10108.6V256 I258 Y266 I289 F291V256-K268 HydrophobicContact CG1-CG 4.13Å; I258-K268 HydrophobicContact CD1-CB 3.73Å; I258-K268 HydrophobicContact CD1-CD 4Å; I258-K268 HydrophobicContact CD1-CG 3.51Å; Y266-K268 HydrophobicContact CE1-CB 4.29Å; K268-I289 HydrophobicContact CB-CB 4.22Å; K268-I289 PolarHBondContact N-O 2.92Å; K268-I289 PolarHBondContact O-N 2.89Å; K268-F291 HydrophobicContact CB-CE2 4.18Å; K268-F291 HydrophobicContact CB-CZ 4.14Å
269V98Very high96.2Very high59 Ų5964.3 Ų64.336%0.35836%0.356SS..EExtended strand (participates in β ladder)trans-90.9128.7173.1-174.20000109.2E267 D286 L287 R288E267-V269 HydrophobicContact CG-CG2 4.47Å; V269-D286 HydrophobicContact CG1-CB 3.79Å; V269-L287 CarbonylContact C-O 3.08Å; V269-L287 WeakPolarHBondContact CA-O 3.5Å; V269-R288 HydrophobicContact CG2-CG 4.43Å
270V97.7Very high96.2Very high23 Ų2361 Ų6114%0.13933%0.334CS..EExtended strand (participates in β ladder)trans-111.6110.5168-173.20000107.8L254 V256 E273 L287 I289L254-V270 HydrophobicContact CD2-CG1 4.05Å; L254-V270 HydrophobicContact CD2-CG2 4.47Å; V256-V270 HydrophobicContact CG1-CG2 4.01Å; V256-V270 HydrophobicContact CG2-CG2 4.04Å; V270-E273 HydrophobicContact CG1-CB 4.3Å; V270-E273 HydrophobicContact CG1-CG 3.81Å; V270-L287 HydrophobicContact CB-CB 4.24Å; V270-L287 HydrophobicContact CB-CD2 4.42Å; V270-L287 HydrophobicContact CG2-CD2 4.46Å; V270-L287 PolarHBondContact N-O 2.85Å; V270-L287 PolarHBondContact O-N 3.19Å; V270-I289 HydrophobicContact CG2-CD1 4.18Å
271P97.7Very high96.1Very high99 Ų9959.2 Ų59.264%0.64333%0.331SS*.THydrogen-bonded Turntrans-69.7142-172.627.3-34.1000112.2E273 D286P271-E273 VanDerWaalsContact C-N 3.29Å; P271-E273 PolarHBondContact O-N 2.82Å; P271-D286 WeakPolarHBondContact CA-OD1 3.33Å
272G96.8Very high95.9Very high33 Ų3362.4 Ų62.434%0.3434%0.344SS..THydrogen-bonded Turntrans73.312173.700000116K284 G285 D286G272-K284 WeakPolarHBondContact O-CB 3.26Å; G272-K284 WeakPolarHBondContact O-CD 3.34Å; G272-G285 CarbonylContact C-O 3.57Å; G272-G285 VanDerWaalsContact C-O 3.31Å; G272-G285 WeakPolarHBondContact CA-O 3.35Å; G272-G285 PolarHBondContact N-O 3.28Å; G272-D286 PolarHBondContact N-OD1 3.03Å
273E96.9Very high95.9Very high34 Ų3468.5 Ų68.516%0.15937%0.37CS..  trans-107.616.3178.4-68.3-70.6-177.400112.9R252 L254 V270 P271 G285 L287R252-E273 IonicContact CZ-OE1 3.53Å; R252-E273 IonicContact CZ-OE2 3.71Å; R252-E273 IonicContact NH1-OE1 2.9Å; R252-E273 PolarHBondContact NH1-OE1 2.9Å; R252-E273 IonicContact NH1-OE2 3.8Å; R252-E273 IonicContact NH2-OE1 3.19Å; R252-E273 PolarHBondContact NH2-OE1 2.9Å; R252-E273 IonicContact NH2-OE2 2.76Å; R252-E273 PolarHBondContact NH2-OE2 3.33Å; L254-E273 HydrophobicContact CD2-CG 4.19Å; V270-E273 HydrophobicContact CG1-CB 4.3Å; V270-E273 HydrophobicContact CG1-CG 3.81Å; P271-E273 VanDerWaalsContact C-N 3.29Å; P271-E273 PolarHBondContact O-N 2.82Å; E273-G285 PolarHBondContact N-O 2.86Å; E273-L287 HydrophobicContact CB-CB 3.73Å; E273-L287 HydrophobicContact CB-CD2 4.37Å
274G97.2Very high96Very high0 Ų067.2 Ų67.20%036%0.363CS..SBendtrans-90.7-156.117500000114.4G285G274-G285 WeakPolarHBondContact CA-O 3.38Å; G274-G285 PolarHBondContact N-O 3.36Å
275M97.4Very high96.1Very high0 Ų062.6 Ų62.60%033%0.334CS..PPolyproline II helixtrans-75.7148175-63.5-63.8-70.400111.3I148 Y149 R222 T225 L227 L249 K284 G285I148-M275 HydrophobicContact CB-CE 3.8Å; I148-M275 HydrophobicContact CG2-CE 3.54Å; Y149-M275 HydrophobicContact CD2-SD 4.21Å; R222-M275 HydrophobicContact CG-CG 4.05Å; T225-M275 WeakPolarHBondContact O-CA 3.39Å; T225-M275 WeakPolarHBondContact O-CB 3.49Å; T225-M275 PolarHBondContact O-N 3.38Å; L227-M275 HydrophobicContact CD1-SD 4.35Å; L227-M275 HydrophobicContact CD2-CG 3.82Å; L227-M275 HydrophobicContact CD2-SD 3.86Å; L227-M275 HydrophobicContact CG-CG 4.1Å; L227-M275 HydrophobicContact CG-SD 4.35Å; L249-M275 HydrophobicContact CD1-SD 3.63Å; M275-K284 CarbonylContact O-C 3.56Å; M275-K284 VanDerWaalsContact O-CA 3.32Å; M275-K284 WeakPolarHBondContact O-CA 3.44Å; M275-G285 PolarHBondContact O-N 3.47Å
276P97.6Very high96.2Very high4 Ų457.9 Ų57.93%0.02631%0.309CS..BIsolated β-bridgetrans-63.4151173.123.4-29.8000112Y149 P183 G184 K283 K284Y149-P276 WeakPolarHBondContact O-CG 3.44Å; P183-P276 HydrophobicContact CB-CB 4.47Å; P183-P276 HydrophobicContact CB-CG 4Å; G184-P276 WeakPolarHBondContact CA-O 3.35Å; P276-K283 WeakPolarHBondContact CA-O 3.43Å; P276-K284 HydrophobicContact CB-CG 4.47Å
277L95.6Very high96.3Very high54 Ų5456.8 Ų56.828%0.28331%0.305SS..PPolyproline II helixtrans-78.6133.1174.2-59.2-179000110.1T225 D279 N280 P281 K283T225-L277 HydrophobicContact CG2-CD2 3.45Å; T225-L277 VanDerWaalsContact CG2-CD2 3.45Å; L277-D279 VanDerWaalsContact C-N 3.28Å; L277-D279 PolarHBondContact O-N 2.71Å; L277-N280 CarbonylContact O-C 3.56Å; L277-N280 PolarHBondContact O-N 2.67Å; L277-P281 WeakPolarHBondContact O-CA 3.3Å; L277-K283 HydrophobicContact CD1-CB 3.75Å; L277-K283 HydrophobicContact CG-CB 4.22Å; L277-K283 PolarHBondContact N-O 3.48Å
278P92.9Very high96.4Very high30 Ų3056.9 Ų56.920%0.19530%0.302CS..SBendtrans-55.2-39.5178.4-30.436.7000114.7G184 Y186G184-P278 VanDerWaalsContact O-CG 3.29Å; G184-P278 WeakPolarHBondContact O-CG 3.43Å; Y186-P278 HydrophobicContact CD2-CG 4.02Å; Y186-P278 HydrophobicContact CE1-CG 4.47Å; Y186-P278 HydrophobicContact CE2-CB 4.48Å; Y186-P278 HydrophobicContact CE2-CG 3.57Å
279D93.3Very high96.4Very high161 Ų16154 Ų5486%0.86129%0.29SS*.SBendtrans-79.4-25.8-177.3-60.3-30.5000112.4L277L277-D279 VanDerWaalsContact C-N 3.28Å; L277-D279 PolarHBondContact O-N 2.71Å
280N94.4Very high96.3Very high57 Ų5756.2 Ų56.231%0.30529%0.291SS..  trans-146.691178.4-174-11.6000110.6L277 E282 K283L277-N280 CarbonylContact O-C 3.56Å; L277-N280 PolarHBondContact O-N 2.67Å; N280-E282 PolarHBondContact O-N 3.34Å; N280-E282 WeakPolarHBondContact OD1-CB 3.32Å; N280-E282 PolarHBondContact OD1-N 2.67Å; N280-K283 PolarHBondContact O-N 2.88Å
281P93Very high96.3Very high66 Ų6655.9 Ų55.943%0.42929%0.288SS..THydrogen-bonded Turntrans-61.8-15.8-176.9-26.836000115.6P183 L277 K283P183-P281 HydrophobicContact CB-CB 4.25Å; L277-P281 WeakPolarHBondContact O-CA 3.3Å; P281-K283 VanDerWaalsContact C-N 3.3Å
282E93.2Very high96.3Very high176 Ų17655.8 Ų55.882%0.82228%0.282SS*.THydrogen-bonded Turntrans-73.1-26.5176.3-60.2-175.5163.900112.1N280N280-E282 PolarHBondContact O-N 3.34Å; N280-E282 WeakPolarHBondContact OD1-CB 3.32Å; N280-E282 PolarHBondContact OD1-N 2.67Å
283K96.2Very high96.3Very high132 Ų13255.3 Ų55.357%0.57427%0.271SS*.SBendtrans-93.7140.9175.5-68.5-174.6179.7-1770109.8P276 L277 N280 P281P276-K283 WeakPolarHBondContact CA-O 3.43Å; L277-K283 HydrophobicContact CD1-CB 3.75Å; L277-K283 HydrophobicContact CG-CB 4.22Å; L277-K283 PolarHBondContact N-O 3.48Å; N280-K283 PolarHBondContact O-N 2.88Å; P281-K283 VanDerWaalsContact C-N 3.3Å
284K96.7Very high96.3Very high71 Ų7158.4 Ų58.431%0.30929%0.286SS..BIsolated β-bridgetrans-123.2152.9-179.7-62.6175.1-172.4169.90109.7Y149 G272 M275 P276Y149-K284 HydrophobicContact CE2-CD 4.41Å; Y149-K284 WeakPolarHBondContact OH-CE 3.27Å; Y149-K284 PolarHBondContact OH-NZ 2.77Å; G272-K284 WeakPolarHBondContact O-CB 3.26Å; G272-K284 WeakPolarHBondContact O-CD 3.34Å; M275-K284 CarbonylContact O-C 3.56Å; M275-K284 VanDerWaalsContact O-CA 3.32Å; M275-K284 WeakPolarHBondContact O-CA 3.44Å; P276-K284 HydrophobicContact CB-CG 4.47Å
285G96.8Very high96.3Very high6 Ų665.1 Ų65.16%0.06232%0.316CS..  trans-70-164.4165.200000111.5G272 E273 G274 M275G272-G285 CarbonylContact C-O 3.57Å; G272-G285 VanDerWaalsContact C-O 3.31Å; G272-G285 WeakPolarHBondContact CA-O 3.35Å; G272-G285 PolarHBondContact N-O 3.28Å; E273-G285 PolarHBondContact N-O 2.86Å; G274-G285 WeakPolarHBondContact CA-O 3.38Å; G274-G285 PolarHBondContact N-O 3.36Å; M275-G285 PolarHBondContact O-N 3.47Å
286D98.1Very high96.2Very high53 Ų5368.4 Ų68.428%0.28334%0.337SS..  trans-107.3153.6-172-62.1-25.5000112.5D226 L227 V269 P271 G272D226-D286 CarbonylContact C-O 3.56Å; D226-D286 WeakPolarHBondContact CA-O 3.27Å; D226-D286 VanDerWaalsContact CB-O 3.31Å; D226-D286 WeakPolarHBondContact CB-O 3.25Å; D226-D286 PolarHBondContact OD1-N 3.15Å; L227-D286 PolarHBondContact N-O 2.97Å; V269-D286 HydrophobicContact CG1-CB 3.79Å; P271-D286 WeakPolarHBondContact CA-OD1 3.33Å; G272-D286 PolarHBondContact N-OD1 3.03Å
287L98.2Very high96.1Very high2 Ų278.3 Ų78.31%0.0138%0.38CS..EExtended strand (participates in β ladder)trans-93.8119.7168.3172.870000108.8F220 L227 F229 V246 L254 V269 V270 E273 I289F220-L287 HydrophobicContact CD1-CD1 4.22Å; F220-L287 HydrophobicContact CE1-CD1 3.79Å; L227-L287 HydrophobicContact CB-CD1 4.02Å; L227-L287 CarbonylContact O-C 3.57Å; L227-L287 WeakPolarHBondContact O-CA 3.33Å; F229-L287 HydrophobicContact CB-CD1 3.94Å; V246-L287 HydrophobicContact CB-CD2 4.39Å; V246-L287 HydrophobicContact CG1-CD2 3.91Å; V246-L287 HydrophobicContact CG2-CD2 4.34Å; L254-L287 HydrophobicContact CD2-CD2 4.08Å; V269-L287 CarbonylContact C-O 3.08Å; V269-L287 WeakPolarHBondContact CA-O 3.5Å; V270-L287 HydrophobicContact CB-CB 4.24Å; V270-L287 HydrophobicContact CB-CD2 4.42Å; V270-L287 HydrophobicContact CG2-CD2 4.46Å; V270-L287 PolarHBondContact N-O 2.85Å; V270-L287 PolarHBondContact O-N 3.19Å; E273-L287 HydrophobicContact CB-CB 3.73Å; E273-L287 HydrophobicContact CB-CD2 4.37Å; L287-I289 HydrophobicContact CD2-CD1 4.35Å; L287-I289 HydrophobicContact CD2-CG1 4.23Å; L287-I289 HydrophobicContact CG-CG1 4.17Å
288R98.2Very high96.1Very high75 Ų7584.7 Ų84.728%0.28341%0.405SS..EExtended strand (participates in β ladder)trans-104.3110.1175.5-55.6-170.8-171.1-1608.3110D226 L227 I228 F229 E267 V269D226-R288 IonicContact OD2-CZ 3.75Å; D226-R288 VanDerWaalsContact OD2-CZ 3.25Å; D226-R288 IonicContact OD2-NE 2.91Å; D226-R288 PolarHBondContact OD2-NE 3.34Å; D226-R288 IonicContact OD2-NH2 3.57Å; D226-R288 PolarHBondContact OD2-NH2 3.47Å; L227-R288 PolarHBondContact O-N 2.98Å; I228-R288 WeakPolarHBondContact CA-O 3.46Å; F229-R288 PolarHBondContact N-O 3.12Å; E267-R288 IonicContact OE1-NH1 3.18Å; V269-R288 HydrophobicContact CG2-CG 4.43Å
289I98Very high96.2Very high0 Ų086.5 Ų86.50%041%0.413CS..EExtended strand (participates in β ladder)trans-89.9114.7177.2-56.1171.5000108.4F229 V246 V256 E267 K268 V270 L287 F291F229-I289 HydrophobicContact CD1-CG1 4.49Å; F229-I289 HydrophobicContact CD1-CG2 4.2Å; F229-I289 CarbonylContact O-C 3.5Å; F229-I289 WeakPolarHBondContact O-CA 3.35Å; V246-I289 HydrophobicContact CG2-CD1 3.93Å; V246-I289 HydrophobicContact CG2-CG1 4.49Å; V256-I289 HydrophobicContact CB-CD1 4.14Å; V256-I289 HydrophobicContact CG1-CD1 4.05Å; V256-I289 HydrophobicContact CG2-CD1 3.97Å; E267-I289 WeakPolarHBondContact CA-O 3.12Å; K268-I289 HydrophobicContact CB-CB 4.22Å; K268-I289 PolarHBondContact N-O 2.92Å; K268-I289 PolarHBondContact O-N 2.89Å; V270-I289 HydrophobicContact CG2-CD1 4.18Å; L287-I289 HydrophobicContact CD2-CD1 4.35Å; L287-I289 HydrophobicContact CD2-CG1 4.23Å; L287-I289 HydrophobicContact CG-CG1 4.17Å; I289-F291 HydrophobicContact CB-CZ 4.29Å; I289-F291 HydrophobicContact CG2-CD1 4.34Å; I289-F291 HydrophobicContact CG2-CE1 3.72Å; I289-F291 HydrophobicContact CG2-CE2 4.09Å; I289-F291 HydrophobicContact CG2-CZ 3.57Å; I289-F291 WeakPolarHBondContact O-CE2 3.21Å
290R97.5Very high96.4Very high104 Ų10481.4 Ų81.439%0.39239%0.39SS..EExtended strand (participates in β ladder)trans-100.2155.1170.3-66.3-173.8-177.9162.17.3109.9E223 I228 F229 T230 S231E223-R290 IonicContact OE2-NH2 3.84Å; I228-R290 HydrophobicContact CG2-CG 4.13Å; F229-R290 PolarHBondContact O-N 2.98Å; T230-R290 CarbonylContact C-O 3.25Å; T230-R290 WeakPolarHBondContact CA-O 3.31Å; S231-R290 PolarHBondContact N-O 3.44Å
291F97.4Very high96.5Very high17 Ų1781.5 Ų81.58%0.07540%0.404CS..EExtended strand (participates in β ladder)trans-122.6128.7-172.2-57.8-84.9000111.3S231 V233 I244 I258 I262 Y266 K268 I289S231-F291 WeakPolarHBondContact O-CA 2.99Å; V233-F291 HydrophobicContact CG2-CD1 3.63Å; V233-F291 HydrophobicContact CG2-CE1 4.28Å; I244-F291 HydrophobicContact CD1-CE1 4.42Å; I244-F291 HydrophobicContact CG1-CE1 3.96Å; I258-F291 HydrophobicContact CD1-CZ 3.98Å; I258-F291 HydrophobicContact CG1-CE1 4.3Å; I258-F291 HydrophobicContact CG1-CZ 4.04Å; I262-F291 HydrophobicContact CD1-CD1 3.78Å; I262-F291 HydrophobicContact CD1-CE1 3.71Å; I262-F291 HydrophobicContact CD1-CE2 4.5Å; I262-F291 HydrophobicContact CD1-CG 4.16Å; I262-F291 HydrophobicContact CD1-CZ 4.1Å; I262-F291 HydrophobicContact CG1-CD1 4.5Å; I262-F291 HydrophobicContact CG1-CD2 4.39Å; I262-F291 HydrophobicContact CG1-CE1 4.46Å; I262-F291 HydrophobicContact CG1-CE2 4.41Å; I262-F291 HydrophobicContact CG1-CG 4.43Å; I262-F291 HydrophobicContact CG1-CZ 4.43Å; I262-F291 HydrophobicContact CG2-CB 3.45Å; I262-F291 VanDerWaalsContact CG2-CB 3.45Å; I262-F291 HydrophobicContact CG2-CD1 4.21Å; I262-F291 HydrophobicContact CG2-CD2 3.68Å; I262-F291 HydrophobicContact CG2-CE2 4.48Å; I262-F291 HydrophobicContact CG2-CG 3.51Å; Y266-F291 AromaticContact CD1-CD2 3.84Å; Y266-F291 HydrophobicContact CD1-CD2 3.84Å; Y266-F291 AromaticContact CD1-CE2 3.54Å; Y266-F291 HydrophobicContact CD1-CE2 3.54Å; Y266-F291 HydrophobicContact CD1-CZ 4.5Å; Y266-F291 HydrophobicContact CE1-CD2 4.39Å; Y266-F291 AromaticContact CE1-CE2 3.65Å; Y266-F291 HydrophobicContact CE1-CE2 3.65Å; Y266-F291 HydrophobicContact CE1-CZ 4.26Å; K268-F291 HydrophobicContact CB-CE2 4.18Å; K268-F291 HydrophobicContact CB-CZ 4.14Å; I289-F291 HydrophobicContact CB-CZ 4.29Å; I289-F291 HydrophobicContact CG2-CD1 4.34Å; I289-F291 HydrophobicContact CG2-CE1 3.72Å; I289-F291 HydrophobicContact CG2-CE2 4.09Å; I289-F291 HydrophobicContact CG2-CZ 3.57Å; I289-F291 WeakPolarHBondContact O-CE2 3.21Å
292N96.5Very high96.7Very high96 Ų9684 Ų8451%0.51341%0.413SS..EExtended strand (participates in β ladder)trans-97.5100167.4-178.29.1000108.8T230 S231 P232 V233 Q294T230-N292 HydrophobicContact CG2-CB 4.34Å; S231-N292 PolarHBondContact O-N 3.45Å; P232-N292 WeakPolarHBondContact CA-O 3.41Å; V233-N292 PolarHBondContact N-O 3.49Å; N292-Q294 PolarHBondContact O-N 2.56Å
293I97.6Very high96.8Very high23 Ų2380 Ų8012%0.11840%0.395CS..EExtended strand (participates in β ladder)trans-73.4118.4-175.5-55.4171.8000110V233 L235 A238 I262 P264 F295V233-I293 CarbonylContact O-C 3.54Å; V233-I293 WeakPolarHBondContact O-CA 3.1Å; L235-I293 HydrophobicContact CB-CG2 4.27Å; L235-I293 HydrophobicContact CD1-CG2 3.93Å; A238-I293 HydrophobicContact CB-CG2 4.28Å; I262-I293 HydrophobicContact CG2-CD1 4.21Å; I262-I293 HydrophobicContact CG2-CG1 4.2Å; I262-I293 WeakPolarHBondContact O-CD1 3.46Å; P264-I293 HydrophobicContact CG-CD1 4.26Å; I293-F295 HydrophobicContact CB-CE2 4.16Å; I293-F295 HydrophobicContact CG2-CD2 4.14Å; I293-F295 HydrophobicContact CG2-CE2 3.76Å; I293-F295 HydrophobicContact CG2-CZ 4.28Å; I293-F295 PolarHBondContact O-N 3.34Å
294Q97.2Very high96.7Very high100 Ų10079.9 Ų79.947%0.46739%0.394SS..EExtended strand (participates in β ladder)trans-91.6105.7178.4-61.6-174.5-9.500110.5P232 V233 L235 N292P232-Q294 HydrophobicContact CB-CG 4.42Å; V233-Q294 PolarHBondContact O-N 2.95Å; L235-Q294 PolarHBondContact N-O 3.2Å; N292-Q294 PolarHBondContact O-N 2.56Å
295F96.7Very high96.7Very high141 Ų14180 Ų8062%0.61840%0.398SS*.  trans-76140.5174.8-74.6-99.7000111.3L235 I293L235-F295 HydrophobicContact CD1-CD1 4.41Å; L235-F295 HydrophobicContact CD1-CE1 3.88Å; L235-F295 HydrophobicContact CD1-CZ 4.07Å; L235-F295 HydrophobicContact CD2-CD1 3.69Å; L235-F295 HydrophobicContact CD2-CE1 3.77Å; L235-F295 HydrophobicContact CG-CD1 4.49Å; L235-F295 HydrophobicContact CG-CE1 4.39Å; I293-F295 HydrophobicContact CB-CE2 4.16Å; I293-F295 HydrophobicContact CG2-CD2 4.14Å; I293-F295 HydrophobicContact CG2-CE2 3.76Å; I293-F295 HydrophobicContact CG2-CZ 4.28Å; I293-F295 PolarHBondContact O-N 3.34Å
296P95.4Very high96.6Very high69 Ų6984.2 Ų84.245%0.44842%0.419SS..  trans-64.1136.6173.827-33.1000110.6K298 L299P296-K298 VanDerWaalsContact C-N 3.33Å; P296-K298 PolarHBondContact O-N 2.9Å; P296-L299 HydrophobicContact CB-CD2 4.26Å; P296-L299 HydrophobicContact CG-CD2 3.89Å; P296-L299 HydrophobicContact CG-CG 4.47Å
297K96.2Very high96.4Very high212 Ų21285 Ų8592%0.92242%0.422SS*.SBendtrans-72.1-25.4-178.7-64.8-177.8179.9179.10113.6
298K95.8Very high96.2Very high188 Ų18890.1 Ų90.182%0.81745%0.446SS*.  trans-148.1151.5-179.6-65.5-174.2179.9-179.60109.4P296P296-K298 VanDerWaalsContact C-N 3.33Å; P296-K298 PolarHBondContact O-N 2.9Å
299L94.6Very high96.1Very high68 Ų6894.1 Ų94.136%0.35646%0.461SS..  trans-128.3137.1173.3-65.5171.6000109.1P296 Q303 K304 I307P296-L299 HydrophobicContact CB-CD2 4.26Å; P296-L299 HydrophobicContact CG-CD2 3.89Å; P296-L299 HydrophobicContact CG-CG 4.47Å; L299-Q303 HydrophobicContact CB-CB 4.33Å; L299-Q303 HydrophobicContact CD2-CB 4.25Å; L299-K304 HydrophobicContact CB-CG 3.91Å; L299-K304 HydrophobicContact CD1-CG 4.4Å; L299-I307 HydrophobicContact CD1-CD1 3.77Å; L299-I307 HydrophobicContact CD2-CD1 4.14Å
300S96.4Very high95.8Very high54 Ų5497.8 Ų97.838%0.37849%0.492SS..  trans-69.3163.9170.6610000111.6D302 Q303 K304S300-D302 VanDerWaalsContact C-N 3.32Å; S300-D302 PolarHBondContact O-N 3.18Å; S300-Q303 PolarHBondContact O-N 3.18Å; S300-Q303 WeakPolarHBondContact OG-CB 3.3Å; S300-Q303 VanDerWaalsContact OG-CD 3.25Å; S300-Q303 WeakPolarHBondContact OG-CG 3.4Å; S300-Q303 PolarHBondContact OG-N 3.16Å; S300-Q303 PolarHBondContact OG-OE1 3.28Å; S300-K304 WeakPolarHBondContact O-CG 3.16Å; S300-K304 PolarHBondContact O-N 3.01Å
301G96.7Very high95.5Very high58 Ų5899 Ų9960%0.59850%0.5SS*.Hα-helixtrans-55.9-46.117600000112.3Q303 K304 L305G301-Q303 PolarHBondContact O-N 3.47Å; G301-K304 PolarHBondContact O-N 3.1Å; G301-L305 PolarHBondContact O-N 2.97Å
302D96.9Very high95.2Very high119 Ų119106.4 Ų106.464%0.63653%0.533SS*.Hα-helixtrans-63.6-41178.6-58.5-31.4000112.2S300 K304 L305 N306S300-D302 VanDerWaalsContact C-N 3.32Å; S300-D302 PolarHBondContact O-N 3.18Å; D302-K304 PolarHBondContact O-N 3.46Å; D302-L305 PolarHBondContact O-N 2.78Å; D302-N306 WeakPolarHBondContact O-CB 3.31Å; D302-N306 PolarHBondContact O-N 3.07Å; D302-N306 PolarHBondContact O-ND2 3.46Å
303Q95.3Very high94.4Very high93 Ų93106.8 Ų106.844%0.43556%0.559SS.*Hα-helixtrans-62.5-42.1175.6-77168.1-28.600111.8L299 S300 G301 N306 I307L299-Q303 HydrophobicContact CB-CB 4.33Å; L299-Q303 HydrophobicContact CD2-CB 4.25Å; S300-Q303 PolarHBondContact O-N 3.18Å; S300-Q303 WeakPolarHBondContact OG-CB 3.3Å; S300-Q303 VanDerWaalsContact OG-CD 3.25Å; S300-Q303 WeakPolarHBondContact OG-CG 3.4Å; S300-Q303 PolarHBondContact OG-N 3.16Å; S300-Q303 PolarHBondContact OG-OE1 3.28Å; G301-Q303 PolarHBondContact O-N 3.47Å; Q303-N306 PolarHBondContact O-N 3.48Å; Q303-I307 WeakPolarHBondContact O-CB 3.11Å; Q303-I307 WeakPolarHBondContact O-CD1 3.24Å; Q303-I307 WeakPolarHBondContact O-CG1 3.47Å; Q303-I307 PolarHBondContact O-N 3.4Å
304K95.1Very high94.3Very high129 Ų129111 Ų11156%0.56158%0.581SS**Hα-helixtrans-62.5-46.5176.8-71.5-178.3-179-1750111.4L299 S300 G301 D302 N306 I307 E308L299-K304 HydrophobicContact CB-CG 3.91Å; L299-K304 HydrophobicContact CD1-CG 4.4Å; S300-K304 WeakPolarHBondContact O-CG 3.16Å; S300-K304 PolarHBondContact O-N 3.01Å; G301-K304 PolarHBondContact O-N 3.1Å; D302-K304 PolarHBondContact O-N 3.46Å; K304-N306 VanDerWaalsContact C-N 3.32Å; K304-N306 PolarHBondContact O-N 3.37Å; K304-I307 PolarHBondContact O-N 3.26Å; K304-E308 WeakPolarHBondContact O-CB 3.1Å; K304-E308 PolarHBondContact O-N 3.41Å
305L95.9Very high94.1Very high72 Ų72111.6 Ų111.638%0.37759%0.587SS.*Hα-helixtrans-60.6-41.7177.7-177.565.9000111.8G301 D302 E308 R309G301-L305 PolarHBondContact O-N 2.97Å; D302-L305 PolarHBondContact O-N 2.78Å; L305-E308 PolarHBondContact O-N 3.48Å; L305-R309 WeakPolarHBondContact O-CG 3.47Å; L305-R309 PolarHBondContact O-N 2.96Å
306N94.8Very high94Very high95 Ų95109.9 Ų109.951%0.50859%0.586SS.*Hα-helixtrans-67.7-39.8178-71.1-22.8000112.4D302 Q303 K304 E308 A310D302-N306 WeakPolarHBondContact O-CB 3.31Å; D302-N306 PolarHBondContact O-N 3.07Å; D302-N306 PolarHBondContact O-ND2 3.46Å; Q303-N306 PolarHBondContact O-N 3.48Å; K304-N306 VanDerWaalsContact C-N 3.32Å; K304-N306 PolarHBondContact O-N 3.37Å; N306-E308 VanDerWaalsContact C-N 3.35Å; N306-A310 WeakPolarHBondContact O-CB 3.32Å; N306-A310 PolarHBondContact O-N 3.47Å
307I93.7Very high93.9Very high69 Ų69112.4 Ų112.435%0.35459%0.594SS.*Hα-helixtrans-65.7-41.5174.7-70.4166000110L299 Q303 K304 A310 F311L299-I307 HydrophobicContact CD1-CD1 3.77Å; L299-I307 HydrophobicContact CD2-CD1 4.14Å; Q303-I307 WeakPolarHBondContact O-CB 3.11Å; Q303-I307 WeakPolarHBondContact O-CD1 3.24Å; Q303-I307 WeakPolarHBondContact O-CG1 3.47Å; Q303-I307 PolarHBondContact O-N 3.4Å; K304-I307 PolarHBondContact O-N 3.26Å; I307-A310 PolarHBondContact O-N 3.24Å; I307-F311 HydrophobicContact CG2-CD2 3.72Å; I307-F311 HydrophobicContact CG2-CE2 4.11Å; I307-F311 WeakPolarHBondContact O-CD2 3.31Å; I307-F311 PolarHBondContact O-N 2.94Å
308E94.3Very high93.8Very high110 Ų110106.1 Ų106.151%0.51457%0.573SS.*Hα-helixtrans-59.2-50.8178.5-174.7173.5-158.500111.1K304 L305 N306 A310 F311 F312K304-E308 WeakPolarHBondContact O-CB 3.1Å; K304-E308 PolarHBondContact O-N 3.41Å; L305-E308 PolarHBondContact O-N 3.48Å; N306-E308 VanDerWaalsContact C-N 3.35Å; E308-A310 VanDerWaalsContact C-N 3.27Å; E308-A310 PolarHBondContact O-N 2.67Å; E308-F311 PolarHBondContact O-N 2.92Å; E308-F312 HydrophobicContact CG-CD2 4.18Å; E308-F312 WeakPolarHBondContact O-CB 2.81Å; E308-F312 PolarHBondContact O-N 3.04Å
309R95.2Very high93.6Very high159 Ų159100.7 Ų100.760%0.656%0.557SS**Hα-helixtrans-58.8-35.9174.5-70.9174.2179.4177.4-0.6113.4L305L305-R309 WeakPolarHBondContact O-CG 3.47Å; L305-R309 PolarHBondContact O-N 2.96Å
310A92.5Very high93.6Very high77 Ų77103 Ų10364%0.63657%0.571SS**Hα-helixtrans-75.5-34.7-176.800000113.3N306 I307 E308N306-A310 WeakPolarHBondContact O-CB 3.32Å; N306-A310 PolarHBondContact O-N 3.47Å; I307-A310 PolarHBondContact O-N 3.24Å; E308-A310 VanDerWaalsContact C-N 3.27Å; E308-A310 PolarHBondContact O-N 2.67Å
311F91.3Very high93.3Very high130 Ų130106.8 Ų106.857%0.5759%0.586SS**Hα-helixtrans-106.1-25.6-174.2-73.4-74.8000114.8L239 I307 E308L239-F311 HydrophobicContact CD1-CZ 3.89Å; L239-F311 HydrophobicContact CD2-CZ 4.37Å; I307-F311 HydrophobicContact CG2-CD2 3.72Å; I307-F311 HydrophobicContact CG2-CE2 4.11Å; I307-F311 WeakPolarHBondContact O-CD2 3.31Å; I307-F311 PolarHBondContact O-N 2.94Å; E308-F311 PolarHBondContact O-N 2.92Å
312F91.4Very high93.1Very high173 Ų173110.8 Ų110.876%0.75959%0.585SS**Hα-helixtrans-115.9-6.2-174-55.1-66.9000114.4E308E308-F312 HydrophobicContact CG-CD2 4.18Å; E308-F312 WeakPolarHBondContact O-CB 2.81Å; E308-F312 PolarHBondContact O-N 3.04Å
313G80.4Confident92.7Very high104 Ų104110.1 Ų110.1100%1.07258%0.581SS**  trans83.30-17700000113.3

Retrieved 313 of 313 residues in 526.7 ms (Link to these results)

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