A0A087YKN7_POEFO Loading...

E3 ubiquitin-protein ligase SH3RF1

AlphaFold DB , UniProt , Accession A0A087YKN7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 851 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M51.7Low67.9Low208 Ų20883.6 Ų83.6100%1.02544%0.439SS*.  0124.10-77.2175.6169.300108
2D60.7Low69.8Low110 Ų11076.7 Ų76.759%0.58840%0.403SS*.  trans-73.4143.5178.1-58.2-92.1000110.6S4 I5 L6D2-S4 PolarHBondContact O-N 2.79Å; D2-I5 HydrophobicContact CB-CD1 4.23Å; D2-I5 HydrophobicContact CB-CG1 4.37Å; D2-I5 PolarHBondContact O-N 2.89Å; D2-I5 VanDerWaalsContact O-N 3.11Å; D2-L6 PolarHBondContact O-N 3.05Å
3E64.3Low71.1Confident90 Ų9075.2 Ų75.242%0.42140%0.4SS..Hα-helixtrans-62.1-32.4-174.4-62.9-176.2157.700111.3I5 L6 L7 R79E3-I5 PolarHBondContact O-N 3.35Å; E3-L6 PolarHBondContact O-N 2.95Å; E3-L7 WeakPolarHBondContact O-CB 3.43Å; E3-L7 WeakPolarHBondContact O-CD1 3.48Å; E3-L7 WeakPolarHBondContact O-CG 3.03Å; E3-L7 PolarHBondContact O-N 2.82Å; E3-R79 WeakPolarHBondContact OE1-CD 3.08Å; E3-R79 IonicContact OE1-CZ 3.31Å; E3-R79 IonicContact OE1-NE 3.06Å; E3-R79 IonicContact OE1-NH1 2.7Å; E3-R79 PolarHBondContact OE1-NH1 2.68Å
4S58.9Low72.2Confident83 Ų8373.7 Ų73.758%0.5840%0.395SS*.Hα-helixtrans-57.4-45.1173.8-45.50000113.3D2 L6 L7 D8D2-S4 PolarHBondContact O-N 2.79Å; S4-L6 VanDerWaalsContact C-N 3.33Å; S4-L6 PolarHBondContact O-N 3.41Å; S4-L7 WeakPolarHBondContact O-CB 3.26Å; S4-L7 PolarHBondContact O-N 3.22Å; S4-L7 VanDerWaalsContact O-N 3.14Å; S4-D8 PolarHBondContact O-N 2.62Å
5I66.1Low73.3Confident95 Ų9571.3 Ų71.349%0.48739%0.386SS..Hα-helixtrans-67.9-39-179-57.5171.9000109.7D2 E3 L7 L9D2-I5 HydrophobicContact CB-CD1 4.23Å; D2-I5 HydrophobicContact CB-CG1 4.37Å; D2-I5 PolarHBondContact O-N 2.89Å; D2-I5 VanDerWaalsContact O-N 3.11Å; E3-I5 PolarHBondContact O-N 3.35Å; I5-L7 PolarHBondContact O-N 2.84Å; I5-L9 HydrophobicContact CG2-CD1 4.39Å; I5-L9 VanDerWaalsContact O-CG 3.27Å; I5-L9 WeakPolarHBondContact O-CG 3.21Å; I5-L9 PolarHBondContact O-N 3.38Å
6L67.4Low73.9Confident48 Ų4869.7 Ų69.725%0.25138%0.377SS..Hα-helixtrans-69-21.6175.3-171.362.7000113D2 E3 S4 L10 L72 I76D2-L6 PolarHBondContact O-N 3.05Å; E3-L6 PolarHBondContact O-N 2.95Å; S4-L6 VanDerWaalsContact C-N 3.33Å; S4-L6 PolarHBondContact O-N 3.41Å; L6-L10 WeakPolarHBondContact O-CG 3.28Å; L6-L72 HydrophobicContact CD1-CD1 4.37Å; L6-L72 HydrophobicContact CD1-CD2 3.95Å; L6-L72 HydrophobicContact CD2-CD1 4.16Å; L6-L72 HydrophobicContact CG-CD2 4.47Å; L6-I76 HydrophobicContact CD2-CD1 3.95Å; L6-I76 HydrophobicContact CD2-CG1 4.15Å; L6-I76 HydrophobicContact CG-CD1 4.22Å
7L66.6Low74.6Confident54 Ų5471.6 Ų71.628%0.28338%0.383SS..Hα-helixtrans-81.9-43175.8-71.8164.6000111.7E3 S4 I5 L9 L10 R18E3-L7 WeakPolarHBondContact O-CB 3.43Å; E3-L7 WeakPolarHBondContact O-CD1 3.48Å; E3-L7 WeakPolarHBondContact O-CG 3.03Å; E3-L7 PolarHBondContact O-N 2.82Å; S4-L7 WeakPolarHBondContact O-CB 3.26Å; S4-L7 PolarHBondContact O-N 3.22Å; S4-L7 VanDerWaalsContact O-N 3.14Å; I5-L7 PolarHBondContact O-N 2.84Å; L7-L9 PolarHBondContact O-N 3.11Å; L7-L10 PolarHBondContact O-N 2.7Å; L7-R18 VanDerWaalsContact CD2-NH1 3.28Å; L7-R18 VanDerWaalsContact CD2-NH2 3.31Å
8D64.7Low75.2Confident84 Ų8474.4 Ų74.445%0.44939%0.387SS..Hα-helixtrans-59.5-34.3174.7-73.3-7.5000112.1S4 L10 R823S4-D8 PolarHBondContact O-N 2.62Å; D8-L10 PolarHBondContact O-N 3.02Å; D8-R823 IonicContact OD1-CZ 3.12Å; D8-R823 IonicContact OD1-NH2 2.73Å; D8-R823 PolarHBondContact OD1-NH2 2.94Å; D8-R823 IonicContact OD2-NH2 3.64Å; D8-R823 PolarHBondContact OD2-NH2 2.91Å
9L74.6Confident75.9Confident86 Ų8671.3 Ų71.345%0.4537%0.371SS..THydrogen-bonded Turntrans-72.4-5176-72.3175000114.7I5 L7 S330I5-L9 HydrophobicContact CG2-CD1 4.39Å; I5-L9 VanDerWaalsContact O-CG 3.27Å; I5-L9 WeakPolarHBondContact O-CG 3.21Å; I5-L9 PolarHBondContact O-N 3.38Å; L7-L9 PolarHBondContact O-N 3.11Å; L9-S330 VanDerWaalsContact CD2-CB 3.48Å
10L84.2Confident76.4Confident12 Ų1271.6 Ų71.66%0.06337%0.373CS..THydrogen-bonded Turntrans-116.336178.1-55.4176.9000111.4L6 L7 D8 R18 L19 L69 L72 L73 I76L6-L10 WeakPolarHBondContact O-CG 3.28Å; L7-L10 PolarHBondContact O-N 2.7Å; D8-L10 PolarHBondContact O-N 3.02Å; L10-R18 CarbonylContact O-C 3.5Å; L10-R18 WeakPolarHBondContact O-CA 3.3Å; L10-L19 WeakPolarHBondContact O-CB 3.34Å; L10-L19 PolarHBondContact O-N 3.11Å; L10-L69 HydrophobicContact CB-CD1 4.29Å; L10-L69 HydrophobicContact CD1-CD1 4.13Å; L10-L69 HydrophobicContact CD2-CD1 3.79Å; L10-L69 HydrophobicContact CG-CD1 4.28Å; L10-L72 HydrophobicContact CD1-CD2 3.74Å; L10-L72 HydrophobicContact CD1-CG 4.32Å; L10-L72 HydrophobicContact CD2-CD2 3.82Å; L10-L72 HydrophobicContact CG-CD2 4.27Å; L10-L73 HydrophobicContact CD1-CD2 3.96Å; L10-I76 HydrophobicContact CD1-CD1 4.28Å
11E88.4Confident76.9Confident50 Ų5070.6 Ų70.623%0.23438%0.375CS..BIsolated β-bridgetrans-92146.7172.8-71.5-176.8-162.300112.3E17 R823E11-E17 WeakPolarHBondContact CA-O 3.49Å; E11-R823 VanDerWaalsContact CD-NH1 3.27Å; E11-R823 IonicContact OE1-CZ 2.59Å; E11-R823 IonicContact OE1-NH1 3.57Å; E11-R823 PolarHBondContact OE1-NH1 3.13Å; E11-R823 IonicContact OE1-NH2 3.82Å; E11-R823 IonicContact OE2-NH1 2.78Å; E11-R823 PolarHBondContact OE2-NH1 3.37Å; E11-R823 VanDerWaalsContact OE2-NH1 3.12Å
12C90.2Very high78.7Confident0 Ų062.6 Ų62.60%034%0.34CS..  trans-78.9124.7174.1177.60000110.1V14 L16 E17 L19 C33 C36C12-V14 PolarHBondContact O-N 3.02Å; C12-L16 VanDerWaalsContact O-CA 3.27Å; C12-L16 WeakPolarHBondContact O-CA 3.27Å; C12-L16 PolarHBondContact O-N 2.87Å; C12-E17 PolarHBondContact N-O 3.12Å; C12-L19 HydrophobicContact CB-CD2 3.58Å; C12-L19 HydrophobicContact CB-CG 4.12Å; C12-C33 HydrophobicContact CB-CB 4Å; C12-C33 PolarHBondContact SG-N 2.9Å; C12-C36 PolarHBondContact SG-SG 2.94Å
13P86.2Confident80.2Confident57 Ų5757.4 Ų57.437%0.3731%0.312SS..THydrogen-bonded Turntrans-56.7-25-178.6-26.433000115.1F32 E51P13-F32 HydrophobicContact CB-CD1 4.36Å; P13-F32 HydrophobicContact CB-CE1 3.97Å; P13-F32 HydrophobicContact CG-CD1 4.16Å; P13-F32 HydrophobicContact CG-CE1 3.85Å; P13-E51 VanDerWaalsContact CG-OE1 3.3Å; P13-E51 WeakPolarHBondContact CG-OE1 3.45Å
14V87.6Confident81.6Confident55 Ų5554.2 Ų54.233%0.33330%0.297SS..THydrogen-bonded Turntrans-82.8-55.3-177.7178.50000113C12 F32 C36 I40 P50C12-V14 PolarHBondContact O-N 3.02Å; V14-F32 HydrophobicContact CG2-CD1 3.84Å; V14-F32 HydrophobicContact CG2-CE1 4.26Å; V14-C36 HydrophobicContact CB-CB 4.01Å; V14-C36 HydrophobicContact CG1-CB 4.02Å; V14-C36 HydrophobicContact CG2-CB 4.46Å; V14-I40 HydrophobicContact CG2-CD1 4.46Å; V14-P50 HydrophobicContact CG2-CB 3.95Å; V14-P50 HydrophobicContact CG2-CG 3.58Å
15C87.4Confident83.3Confident38 Ų3851.5 Ų51.526%0.25728%0.277SS..THydrogen-bonded Turntrans-94.7-16.3-176.961.10000113.9E17 C36 K831C15-E17 HydrophobicContact CB-CG 4.03Å; C15-E17 PolarHBondContact O-N 2.93Å; C15-E17 VanDerWaalsContact SG-CB 3.56Å; C15-E17 PolarHBondContact SG-OE2 3.09Å; C15-C36 PolarHBondContact SG-SG 2.78Å; C15-K831 PolarHBondContact O-NZ 3.34Å
16L83.8Confident84.6Confident45 Ų4547.2 Ų47.224%0.23626%0.255CS..  trans51.144.3-170.2-52172.5000110.9C12 K831 L842C12-L16 VanDerWaalsContact O-CA 3.27Å; C12-L16 WeakPolarHBondContact O-CA 3.27Å; C12-L16 PolarHBondContact O-N 2.87Å; L16-K831 HydrophobicContact CD1-CD 4.32Å; L16-K831 PolarHBondContact O-NZ 2.84Å; L16-L842 HydrophobicContact CD1-CD1 4.29Å; L16-L842 HydrophobicContact CD1-CD2 4.03Å
17E86.1Confident85.7Confident103 Ų10349.1 Ų49.148%0.48127%0.27SS..SBendtrans-110.2155.6164.4-55.9174.7132.200108.1E11 C12 C15 L19E11-E17 WeakPolarHBondContact CA-O 3.49Å; C12-E17 PolarHBondContact N-O 3.12Å; C15-E17 HydrophobicContact CB-CG 4.03Å; C15-E17 PolarHBondContact O-N 2.93Å; C15-E17 VanDerWaalsContact SG-CB 3.56Å; C15-E17 PolarHBondContact SG-OE2 3.09Å; E17-L19 PolarHBondContact O-N 2.65Å
18R84.7Confident87Confident121 Ų12147.9 Ų47.946%0.45727%0.266SS..BIsolated β-bridgetrans-62.6125.7178.9-175.4-179.4176.1-177.14.3111.5L7 L10 D20L7-R18 VanDerWaalsContact CD2-NH1 3.28Å; L7-R18 VanDerWaalsContact CD2-NH2 3.31Å; L10-R18 CarbonylContact O-C 3.5Å; L10-R18 WeakPolarHBondContact O-CA 3.3Å; R18-D20 PolarHBondContact O-N 2.77Å
19L88.7Confident88.2Confident15 Ų1551.8 Ų51.88%0.07928%0.282CS..  trans-58.5128.2169.6-66167.8000110L10 C12 E17 A23 T31 C33 L69L10-L19 WeakPolarHBondContact O-CB 3.34Å; L10-L19 PolarHBondContact O-N 3.11Å; C12-L19 HydrophobicContact CB-CD2 3.58Å; C12-L19 HydrophobicContact CB-CG 4.12Å; E17-L19 PolarHBondContact O-N 2.65Å; L19-A23 HydrophobicContact CB-CB 4.23Å; L19-A23 HydrophobicContact CD2-CB 3.79Å; L19-T31 HydrophobicContact CD1-CG2 4.28Å; L19-C33 HydrophobicContact CD2-CB 4.41Å; L19-L69 HydrophobicContact CB-CD1 4.09Å; L19-L69 HydrophobicContact CB-CD2 3.78Å
20D85.9Confident89Confident77 Ų7750.8 Ų50.841%0.41227%0.274SS..  trans-106.4-175.7177.776.9-24.1000111R18 S22 A23 L69R18-D20 PolarHBondContact O-N 2.77Å; D20-S22 VanDerWaalsContact CG-OG 3.31Å; D20-S22 PolarHBondContact O-N 2.84Å; D20-S22 VanDerWaalsContact O-N 3.11Å; D20-S22 WeakPolarHBondContact OD1-CA 3.34Å; D20-S22 VanDerWaalsContact OD1-CB 3.29Å; D20-S22 WeakPolarHBondContact OD1-CB 3.49Å; D20-S22 PolarHBondContact OD1-N 2.85Å; D20-S22 PolarHBondContact OD1-OG 3Å; D20-S22 PolarHBondContact OD2-OG 3.47Å; D20-A23 VanDerWaalsContact O-CB 3.32Å; D20-A23 WeakPolarHBondContact O-CB 3.26Å; D20-A23 PolarHBondContact O-N 3.02Å; D20-A23 VanDerWaalsContact O-N 3.14Å; D20-A23 PolarHBondContact OD1-N 2.91Å; D20-L69 WeakPolarHBondContact O-CD2 3.48Å
21A86.2Confident89.5Confident52 Ų5251.3 Ų51.343%0.4328%0.278SS..THydrogen-bonded Turntrans-66.4-8.8176.900000114V70A21-V70 HydrophobicContact CB-CG2 4.01Å
22S90Very high89.7Confident40 Ų4048.9 Ų48.928%0.2827%0.267SS..THydrogen-bonded Turntrans-83.4-15.4174.586.50000113.2D20D20-S22 VanDerWaalsContact CG-OG 3.31Å; D20-S22 PolarHBondContact O-N 2.84Å; D20-S22 VanDerWaalsContact O-N 3.11Å; D20-S22 WeakPolarHBondContact OD1-CA 3.34Å; D20-S22 VanDerWaalsContact OD1-CB 3.29Å; D20-S22 WeakPolarHBondContact OD1-CB 3.49Å; D20-S22 PolarHBondContact OD1-N 2.85Å; D20-S22 PolarHBondContact OD1-OG 3Å; D20-S22 PolarHBondContact OD2-OG 3.47Å
23A92.5Very high89.9Confident1 Ų149.4 Ų49.41%0.00827%0.27CS..  trans-56.4140.8-17800000112.7L19 D20 T31 F32 S65 N66 L69L19-A23 HydrophobicContact CB-CB 4.23Å; L19-A23 HydrophobicContact CD2-CB 3.79Å; D20-A23 VanDerWaalsContact O-CB 3.32Å; D20-A23 WeakPolarHBondContact O-CB 3.26Å; D20-A23 PolarHBondContact O-N 3.02Å; D20-A23 VanDerWaalsContact O-N 3.14Å; D20-A23 PolarHBondContact OD1-N 2.91Å; A23-T31 HydrophobicContact CB-CG2 4.09Å; A23-F32 VanDerWaalsContact CA-O 3.32Å; A23-F32 WeakPolarHBondContact CA-O 3.47Å; A23-F32 WeakPolarHBondContact CB-O 3.43Å; A23-S65 WeakPolarHBondContact O-CA 3.49Å; A23-N66 PolarHBondContact O-N 3.31Å; A23-L69 HydrophobicContact CB-CD2 3.65Å
24K94.1Very high90.3Very high22 Ų2249.7 Ų49.710%0.09626%0.264CS..EExtended strand (participates in β ladder)trans-116.3141.5-171.5-63.3-63.3-160.8154.30110.6T31 F32 L37 V60 D61 L63 P64K24-T31 WeakPolarHBondContact O-CA 3.45Å; K24-F32 PolarHBondContact N-O 3.19Å; K24-F32 PolarHBondContact O-N 3.33Å; K24-L37 HydrophobicContact CB-CD1 3.79Å; K24-V60 WeakPolarHBondContact CE-O 3.18Å; K24-V60 HydrophobicContact CG-CG1 4.42Å; K24-D61 PolarHBondContact NZ-O 2.83Å; K24-L63 HydrophobicContact CB-CB 3.98Å; K24-L63 HydrophobicContact CB-CD1 4.23Å; K24-L63 HydrophobicContact CD-CB 4.14Å; K24-L63 VanDerWaalsContact CD-O 3.3Å; K24-L63 WeakPolarHBondContact CD-O 3.48Å; K24-L63 WeakPolarHBondContact CE-O 3.25Å; K24-L63 HydrophobicContact CG-CB 4.29Å; K24-L63 PolarHBondContact NZ-O 2.82Å; K24-P64 WeakPolarHBondContact CA-O 3.43Å
25V94.9Very high90.6Very high27 Ų2756.1 Ų56.116%0.16428%0.282CS..EExtended strand (participates in β ladder)trans-96132.1174.5-168.30000108.3Q29 P64 N66V25-Q29 WeakPolarHBondContact CG1-O 3.17Å; V25-P64 HydrophobicContact CB-CG 4.32Å; V25-P64 PolarHBondContact N-O 3.24Å; V25-N66 HydrophobicContact CG2-CB 3.53Å
26L93.3Very high90.9Very high4 Ų454.9 Ų54.92%0.02127%0.274CS..  trans-87.4164.6176.4-79.961.2000110.1C28 Q29 H30 F32 L37 C49 V56 L63L26-C28 PolarHBondContact O-N 2.92Å; L26-Q29 WeakPolarHBondContact O-CA 3.38Å; L26-Q29 PolarHBondContact O-N 2.94Å; L26-H30 PolarHBondContact N-O 2.92Å; L26-F32 HydrophobicContact CD1-CD2 3.73Å; L26-F32 HydrophobicContact CD1-CE2 4.22Å; L26-F32 HydrophobicContact CD2-CD2 4.19Å; L26-F32 HydrophobicContact CD2-CE2 4.01Å; L26-L37 HydrophobicContact CD1-CD1 3.73Å; L26-L37 HydrophobicContact CD1-CD2 3.91Å; L26-L37 HydrophobicContact CD1-CG 4.49Å; L26-L37 HydrophobicContact CD2-CD2 4.27Å; L26-C49 HydrophobicContact CD2-CB 3.69Å; L26-V56 HydrophobicContact CB-CG2 4.4Å; L26-V56 HydrophobicContact CD2-CG2 3.8Å; L26-V56 HydrophobicContact CG-CG2 3.99Å; L26-L63 HydrophobicContact CD1-CD1 4.04Å; L26-L63 HydrophobicContact CG-CD1 4.29Å
27P90.3Very high91.3Very high89 Ų8952.8 Ų52.858%0.57826%0.263SS*.THydrogen-bonded Turntrans-54.2-27.5175.1-27.636000113.8Q29 V56P27-Q29 PolarHBondContact O-N 2.83Å; P27-V56 HydrophobicContact CG-CG1 4.33Å
28C92.4Very high91.7Very high28 Ų2851.6 Ų51.619%0.18926%0.257CS..THydrogen-bonded Turntrans-82.617.917360.80000114.8L26 H30 C49 C52 T54L26-C28 PolarHBondContact O-N 2.92Å; C28-H30 PolarHBondContact O-CE1 3.42Å; C28-H30 PolarHBondContact O-N 2.88Å; C28-H30 PolarHBondContact O-ND1 3.08Å; C28-H30 PolarHBondContact SG-ND1 2.76Å; C28-H30 VanDerWaalsContact SG-ND1 3.43Å; C28-C49 VanDerWaalsContact SG-CB 3.58Å; C28-C52 WeakPolarHBondContact CB-SG 3.17Å; C28-C52 PolarHBondContact SG-SG 2.85Å; C28-T54 HydrophobicContact CB-CG2 4.29Å
29Q91.1Very high91.9Very high166 Ų16648 Ų4878%0.77626%0.257SS*.SBendtrans64.9-13.6176.9-52.2-177.213.300117.2V25 L26 P27V25-Q29 WeakPolarHBondContact CG1-O 3.17Å; L26-Q29 WeakPolarHBondContact O-CA 3.38Å; L26-Q29 PolarHBondContact O-N 2.94Å; P27-Q29 PolarHBondContact O-N 2.83Å
30H91.3Very high92Very high65 Ų6548.1 Ų48.130%0.30126%0.258SS..  trans-61.6143.5172.1-59.2101.1000112L26 C28 F32 E51 C52L26-H30 PolarHBondContact N-O 2.92Å; C28-H30 PolarHBondContact O-CE1 3.42Å; C28-H30 PolarHBondContact O-N 2.88Å; C28-H30 PolarHBondContact O-ND1 3.08Å; C28-H30 PolarHBondContact SG-ND1 2.76Å; C28-H30 VanDerWaalsContact SG-ND1 3.43Å; H30-F32 HydrophobicContact CB-CE2 3.51Å; H30-F32 HydrophobicContact CB-CZ 3.76Å; H30-E51 WeakPolarHBondContact CB-OE2 3.42Å; H30-E51 IonicContact CD2-OE2 3.28Å; H30-E51 PolarHBondContact CD2-OE2 2.79Å; H30-E51 IonicContact CG-OE2 2.68Å; H30-C52 VanDerWaalsContact CE1-SG 3.58Å; H30-C52 PolarHBondContact ND1-SG 2.8Å; H30-C52 VanDerWaalsContact ND1-SG 3.43Å
31T93.7Very high92.2Very high22 Ų2247.3 Ų47.314%0.13525%0.253CS..EExtended strand (participates in β ladder)trans-120.1127.5-173.5-60.80000111.4L19 A23 K24 N66L19-T31 HydrophobicContact CD1-CG2 4.28Å; A23-T31 HydrophobicContact CB-CG2 4.09Å; K24-T31 WeakPolarHBondContact O-CA 3.45Å; T31-N66 HydrophobicContact CG2-CB 4.01Å; T31-N66 PolarHBondContact OG1-ND2 3.06Å
32F94.3Very high92.3Very high0 Ų048.3 Ų48.30%027%0.269CS..EExtended strand (participates in β ladder)trans-134.3163.5-179-53-86.3000112.9P13 V14 A23 K24 L26 H30 L37 P50 E51P13-F32 HydrophobicContact CB-CD1 4.36Å; P13-F32 HydrophobicContact CB-CE1 3.97Å; P13-F32 HydrophobicContact CG-CD1 4.16Å; P13-F32 HydrophobicContact CG-CE1 3.85Å; V14-F32 HydrophobicContact CG2-CD1 3.84Å; V14-F32 HydrophobicContact CG2-CE1 4.26Å; A23-F32 VanDerWaalsContact CA-O 3.32Å; A23-F32 WeakPolarHBondContact CA-O 3.47Å; A23-F32 WeakPolarHBondContact CB-O 3.43Å; K24-F32 PolarHBondContact N-O 3.19Å; K24-F32 PolarHBondContact O-N 3.33Å; L26-F32 HydrophobicContact CD1-CD2 3.73Å; L26-F32 HydrophobicContact CD1-CE2 4.22Å; L26-F32 HydrophobicContact CD2-CD2 4.19Å; L26-F32 HydrophobicContact CD2-CE2 4.01Å; H30-F32 HydrophobicContact CB-CE2 3.51Å; H30-F32 HydrophobicContact CB-CZ 3.76Å; F32-L37 HydrophobicContact CB-CD1 4.12Å; F32-L37 HydrophobicContact CB-CD2 3.95Å; F32-L37 HydrophobicContact CB-CG 3.91Å; F32-L37 HydrophobicContact CD2-CD2 3.95Å; F32-L37 HydrophobicContact CG-CD2 4.18Å; F32-P50 HydrophobicContact CD1-CG 4.22Å; F32-P50 HydrophobicContact CE1-CB 4Å; F32-P50 HydrophobicContact CE1-CG 3.88Å; F32-P50 HydrophobicContact CE2-CG 4.45Å; F32-P50 HydrophobicContact CZ-CB 4.17Å; F32-P50 HydrophobicContact CZ-CG 4.02Å; F32-E51 HydrophobicContact CE1-CG 4.02Å; F32-E51 HydrophobicContact CZ-CB 4.35Å; F32-E51 HydrophobicContact CZ-CG 3.85Å; F32-E51 WeakPolarHBondContact CZ-OE2 3.46Å
33C94.1Very high92.2Very high11 Ų1150.2 Ų50.27%0.07428%0.282CS..  trans-66140.3175101.30000111.2C12 L19 R35 C36 L37C12-C33 HydrophobicContact CB-CB 4Å; C12-C33 PolarHBondContact SG-N 2.9Å; L19-C33 HydrophobicContact CD2-CB 4.41Å; C33-R35 VanDerWaalsContact C-N 3.31Å; C33-R35 PolarHBondContact O-N 3.21Å; C33-C36 HydrophobicContact CB-CB 4.21Å; C33-C36 WeakPolarHBondContact CB-SG 3.34Å; C33-C36 WeakPolarHBondContact O-CB 3.49Å; C33-C36 PolarHBondContact O-N 3.29Å; C33-C36 WeakPolarHBondContact SG-CB 3.06Å; C33-C36 PolarHBondContact SG-N 2.86Å; C33-C36 CovalentContact SG-SG 2.06Å; C33-C36 PolarHBondContact SG-SG 2.85Å; C33-L37 PolarHBondContact O-N 2.8Å
34R93.4Very high91.7Very high62 Ų6258 Ų5823%0.23431%0.312CS..Hα-helixtrans-57.2-42.3-178.9176.9169.7167.669-2.3113.1C36 L37 Q38 V60 D61R34-C36 VanDerWaalsContact C-N 3.26Å; R34-C36 PolarHBondContact O-N 3.34Å; R34-L37 PolarHBondContact O-N 2.86Å; R34-Q38 VanDerWaalsContact CZ-NE2 3.29Å; R34-Q38 WeakPolarHBondContact O-CG 3.48Å; R34-Q38 PolarHBondContact O-N 3.19Å; R34-V60 HydrophobicContact CG-CG1 4.33Å; R34-D61 IonicContact CZ-OD1 2.69Å; R34-D61 VanDerWaalsContact CZ-OD1 3.31Å; R34-D61 IonicContact CZ-OD2 3.64Å; R34-D61 IonicContact NH1-OD1 2.71Å; R34-D61 PolarHBondContact NH1-OD1 2.85Å; R34-D61 IonicContact NH1-OD2 2.98Å; R34-D61 PolarHBondContact NH1-OD2 3.38Å; R34-D61 IonicContact NH2-OD1 3.53Å; R34-D61 PolarHBondContact NH2-OD1 2.88Å; R34-D61 IonicContact NH2-OD2 2.67Å; R34-D61 PolarHBondContact NH2-OD2 2.78Å
35R93.9Very high91.3Very high190 Ų19060.2 Ų60.272%0.71734%0.34SS*.Hα-helixtrans-57.6-38.8175.3-64.8164.157.7107.7-1.7112.1C33 G39C33-R35 VanDerWaalsContact C-N 3.31Å; C33-R35 PolarHBondContact O-N 3.21Å; R35-G39 PolarHBondContact O-N 3.5Å
36C94Very high91Very high13 Ų1362.6 Ų62.69%0.08835%0.35CS..Hα-helixtrans-66.5-49.8-176.9-54.70000110.4C12 V14 C15 C33 R34 G39 I40C12-C36 PolarHBondContact SG-SG 2.94Å; V14-C36 HydrophobicContact CB-CB 4.01Å; V14-C36 HydrophobicContact CG1-CB 4.02Å; V14-C36 HydrophobicContact CG2-CB 4.46Å; C15-C36 PolarHBondContact SG-SG 2.78Å; C33-C36 HydrophobicContact CB-CB 4.21Å; C33-C36 WeakPolarHBondContact CB-SG 3.34Å; C33-C36 WeakPolarHBondContact O-CB 3.49Å; C33-C36 PolarHBondContact O-N 3.29Å; C33-C36 WeakPolarHBondContact SG-CB 3.06Å; C33-C36 PolarHBondContact SG-N 2.86Å; C33-C36 CovalentContact SG-SG 2.06Å; C33-C36 PolarHBondContact SG-SG 2.85Å; R34-C36 VanDerWaalsContact C-N 3.26Å; R34-C36 PolarHBondContact O-N 3.34Å; C36-G39 PolarHBondContact O-N 2.91Å; C36-I40 WeakPolarHBondContact O-CD1 3.3Å; C36-I40 WeakPolarHBondContact O-CG1 3.29Å; C36-I40 PolarHBondContact O-N 2.78Å
37L93.5Very high91Very high0 Ų062.6 Ų62.60%035%0.349CS..Hα-helixtrans-67-37.8179-62170.3000112.1K24 L26 F32 C33 R34 I40 L41 L47 V60 L63K24-L37 HydrophobicContact CB-CD1 3.79Å; L26-L37 HydrophobicContact CD1-CD1 3.73Å; L26-L37 HydrophobicContact CD1-CD2 3.91Å; L26-L37 HydrophobicContact CD1-CG 4.49Å; L26-L37 HydrophobicContact CD2-CD2 4.27Å; F32-L37 HydrophobicContact CB-CD1 4.12Å; F32-L37 HydrophobicContact CB-CD2 3.95Å; F32-L37 HydrophobicContact CB-CG 3.91Å; F32-L37 HydrophobicContact CD2-CD2 3.95Å; F32-L37 HydrophobicContact CG-CD2 4.18Å; C33-L37 PolarHBondContact O-N 2.8Å; R34-L37 PolarHBondContact O-N 2.86Å; L37-I40 PolarHBondContact O-N 2.85Å; L37-L41 WeakPolarHBondContact O-CB 3.47Å; L37-L41 PolarHBondContact O-N 3.37Å; L37-L47 HydrophobicContact CB-CD1 4.22Å; L37-L47 HydrophobicContact CD2-CD1 4.04Å; L37-V60 HydrophobicContact CB-CB 4.43Å; L37-V60 HydrophobicContact CB-CG1 3.63Å; L37-V60 HydrophobicContact CB-CG2 3.84Å; L37-V60 HydrophobicContact CD1-CG1 4.17Å; L37-L63 HydrophobicContact CD1-CD1 4.25Å
38Q92.6Very high91Very high79 Ų7963 Ų6337%0.36934%0.34SS..Hα-helixtrans-65.3-38173.1-74.2178.5-31.900112.3R34 G42 V60 D61R34-Q38 VanDerWaalsContact CZ-NE2 3.29Å; R34-Q38 WeakPolarHBondContact O-CG 3.48Å; R34-Q38 PolarHBondContact O-N 3.19Å; Q38-G42 PolarHBondContact O-N 2.78Å; Q38-V60 HydrophobicContact CG-CB 4.03Å; Q38-V60 HydrophobicContact CG-CG1 3.94Å; Q38-V60 HydrophobicContact CG-CG2 4.17Å; Q38-D61 PolarHBondContact NE2-OD1 2.9Å
39G90.8Very high91.1Very high44 Ų4461.8 Ų61.845%0.45433%0.331SS..Hα-helixtrans-64.9-40.2173.400000113.4R35 C36 S43R35-G39 PolarHBondContact O-N 3.5Å; C36-G39 PolarHBondContact O-N 2.91Å; G39-S43 WeakPolarHBondContact O-CB 3.49Å; G39-S43 PolarHBondContact O-N 3.2Å; G39-S43 VanDerWaalsContact O-N 3.07Å; G39-S43 PolarHBondContact O-OG 3.2Å
40I90.5Very high91Very high19 Ų1956.6 Ų56.610%0.09731%0.312CS..Hα-helixtrans-65.1-51.2176.1-67.6158.9000110.7V14 C36 L37 G42 S43 R44 L47 P50V14-I40 HydrophobicContact CG2-CD1 4.46Å; C36-I40 WeakPolarHBondContact O-CD1 3.3Å; C36-I40 WeakPolarHBondContact O-CG1 3.29Å; C36-I40 PolarHBondContact O-N 2.78Å; L37-I40 PolarHBondContact O-N 2.85Å; I40-G42 VanDerWaalsContact C-N 3.34Å; I40-G42 PolarHBondContact O-N 2.69Å; I40-S43 PolarHBondContact O-N 2.95Å; I40-S43 PolarHBondContact O-OG 2.86Å; I40-S43 VanDerWaalsContact O-OG 3.08Å; I40-R44 WeakPolarHBondContact O-CB 3.31Å; I40-R44 PolarHBondContact O-N 2.82Å; I40-L47 HydrophobicContact CB-CD1 4.36Å; I40-L47 HydrophobicContact CG2-CD1 4.13Å; I40-P50 HydrophobicContact CD1-CG 3.68Å
41L90.4Very high90.9Very high59 Ų5958.2 Ų58.231%0.30932%0.32SS..Hα-helixtrans-60.9-43178.5178.458.5000111.6L37 S43 G45 L47 V60L37-L41 WeakPolarHBondContact O-CB 3.47Å; L37-L41 PolarHBondContact O-N 3.37Å; L41-S43 VanDerWaalsContact C-N 3.3Å; L41-S43 PolarHBondContact O-N 3.32Å; L41-G45 WeakPolarHBondContact CD1-O 3.1Å; L41-G45 WeakPolarHBondContact O-CA 3.25Å; L41-G45 PolarHBondContact O-N 3.3Å; L41-L47 HydrophobicContact CB-CB 4.46Å; L41-L47 HydrophobicContact CB-CD1 4.43Å; L41-L47 HydrophobicContact CD1-CB 4.22Å; L41-V60 HydrophobicContact CD2-CG2 4.08Å
42G87.9Confident90.8Very high74 Ų7459.6 Ų59.676%0.76333%0.33SS*.Hα-helixtrans-70.9-17.6179.100000115.3Q38 I40Q38-G42 PolarHBondContact O-N 2.78Å; I40-G42 VanDerWaalsContact C-N 3.34Å; I40-G42 PolarHBondContact O-N 2.69Å
43S87.4Confident90.6Very high79 Ų7969.1 Ų69.155%0.55237%0.366SS*.Hα-helixtrans-101.1-25.3178550000113.9G39 I40 L41G39-S43 WeakPolarHBondContact O-CB 3.49Å; G39-S43 PolarHBondContact O-N 3.2Å; G39-S43 VanDerWaalsContact O-N 3.07Å; G39-S43 PolarHBondContact O-OG 3.2Å; I40-S43 PolarHBondContact O-N 2.95Å; I40-S43 PolarHBondContact O-OG 2.86Å; I40-S43 VanDerWaalsContact O-OG 3.08Å; L41-S43 VanDerWaalsContact C-N 3.3Å; L41-S43 PolarHBondContact O-N 3.32Å
44R82.4Confident90.5Very high166 Ų16671.7 Ų71.763%0.62638%0.381SS*.Hα-helixtrans-113-13.5-176.2-62.3-177.3-178.9-102.6-4.1114.5I40 E46I40-R44 WeakPolarHBondContact O-CB 3.31Å; I40-R44 PolarHBondContact O-N 2.82Å; R44-E46 HydrophobicContact CB-CG 4.42Å; R44-E46 PolarHBondContact O-N 2.97Å
45G84.3Confident90.5Very high68 Ų6871.7 Ų71.770%0.70139%0.386SS*.SBendtrans74.5-23.9-174.800000114.5L41L41-G45 WeakPolarHBondContact CD1-O 3.1Å; L41-G45 WeakPolarHBondContact O-CA 3.25Å; L41-G45 PolarHBondContact O-N 3.3Å
46E89.8Confident90.4Very high77 Ų7763 Ų6336%0.3635%0.353SS..SBendtrans-114.9147.2171.248.9161.4-147.800111.5R44 R48 L55R44-E46 HydrophobicContact CB-CG 4.42Å; R44-E46 PolarHBondContact O-N 2.97Å; E46-R48 WeakPolarHBondContact OE1-CD 3.32Å; E46-R48 IonicContact OE1-CZ 2.85Å; E46-R48 IonicContact OE1-NE 3.1Å; E46-R48 PolarHBondContact OE1-NE 3.14Å; E46-R48 IonicContact OE1-NH2 3.88Å; E46-R48 IonicContact OE2-CZ 3.21Å; E46-R48 VanDerWaalsContact OE2-CZ 3.28Å; E46-R48 IonicContact OE2-NE 3.71Å; E46-R48 PolarHBondContact OE2-NE 2.92Å; E46-R48 VanDerWaalsContact OE2-NE 3.1Å; E46-R48 IonicContact OE2-NH2 2.75Å; E46-R48 PolarHBondContact OE2-NH2 2.92Å; E46-L55 HydrophobicContact CB-CD1 4.17Å
47L92.7Very high90Very high3 Ų369.2 Ų69.22%0.01639%0.386CS..  trans-98112.4173.4-176.161000109.9L37 I40 L41 V56 V60 L63L37-L47 HydrophobicContact CB-CD1 4.22Å; L37-L47 HydrophobicContact CD2-CD1 4.04Å; I40-L47 HydrophobicContact CB-CD1 4.36Å; I40-L47 HydrophobicContact CG2-CD1 4.13Å; L41-L47 HydrophobicContact CB-CB 4.46Å; L41-L47 HydrophobicContact CB-CD1 4.43Å; L41-L47 HydrophobicContact CD1-CB 4.22Å; L47-V56 HydrophobicContact CB-CB 4.14Å; L47-V56 HydrophobicContact CD2-CB 3.94Å; L47-V56 HydrophobicContact CD2-CG1 3.84Å; L47-V56 HydrophobicContact CG-CB 3.91Å; L47-V56 HydrophobicContact CG-CG1 4.37Å; L47-V56 HydrophobicContact CG-CG2 4.26Å; L47-V56 WeakPolarHBondContact O-CB 3.14Å; L47-V56 PolarHBondContact O-N 2.83Å; L47-V60 HydrophobicContact CD2-CG2 3.81Å; L47-L63 HydrophobicContact CD2-CD1 4.19Å
48R91.1Very high89.6Confident98 Ų9871.6 Ų71.637%0.3740%0.402SS..BIsolated β-bridgetrans-116.1146.2170.1-65.3-172.2-175.8-84.5-12.8110.7E46 P50 T54 L55E46-R48 WeakPolarHBondContact OE1-CD 3.32Å; E46-R48 IonicContact OE1-CZ 2.85Å; E46-R48 IonicContact OE1-NE 3.1Å; E46-R48 PolarHBondContact OE1-NE 3.14Å; E46-R48 IonicContact OE1-NH2 3.88Å; E46-R48 IonicContact OE2-CZ 3.21Å; E46-R48 VanDerWaalsContact OE2-CZ 3.28Å; E46-R48 IonicContact OE2-NE 3.71Å; E46-R48 PolarHBondContact OE2-NE 2.92Å; E46-R48 VanDerWaalsContact OE2-NE 3.1Å; E46-R48 IonicContact OE2-NH2 2.75Å; E46-R48 PolarHBondContact OE2-NH2 2.92Å; R48-P50 WeakPolarHBondContact O-CD 3.15Å; R48-T54 CarbonylContact C-O 3.47Å; R48-T54 WeakPolarHBondContact CA-O 3.18Å; R48-L55 HydrophobicContact CG-CD1 3.96Å
49C93.1Very high89.4Confident2 Ų269.8 Ų69.81%0.01440%0.4CS..  trans-61.4124.9173.4-178.80000110.9L26 C28 E51 R53 T54L26-C49 HydrophobicContact CD2-CB 3.69Å; C28-C49 VanDerWaalsContact SG-CB 3.58Å; C49-E51 VanDerWaalsContact C-N 3.27Å; C49-E51 PolarHBondContact O-N 3.37Å; C49-E51 PolarHBondContact SG-N 3.26Å; C49-R53 WeakPolarHBondContact O-CA 3.42Å; C49-R53 PolarHBondContact O-N 3.36Å; C49-T54 PolarHBondContact N-O 3.1Å
50P89.8Confident89.3Confident57 Ų5767.8 Ų67.837%0.3738%0.38SS..THydrogen-bonded Turntrans-54.3-38.8175-29.235.7000114.3V14 F32 I40 R48V14-P50 HydrophobicContact CG2-CB 3.95Å; V14-P50 HydrophobicContact CG2-CG 3.58Å; F32-P50 HydrophobicContact CD1-CG 4.22Å; F32-P50 HydrophobicContact CE1-CB 4Å; F32-P50 HydrophobicContact CE1-CG 3.88Å; F32-P50 HydrophobicContact CE2-CG 4.45Å; F32-P50 HydrophobicContact CZ-CB 4.17Å; F32-P50 HydrophobicContact CZ-CG 4.02Å; I40-P50 HydrophobicContact CD1-CG 3.68Å; R48-P50 WeakPolarHBondContact O-CD 3.15Å
51E89.6Confident89.3Confident99 Ų9971.3 Ų71.346%0.46340%0.398SS..THydrogen-bonded Turntrans-84-47.9-172.3-68.2174.4132.300112.4P13 H30 F32 C49P13-E51 VanDerWaalsContact CG-OE1 3.3Å; P13-E51 WeakPolarHBondContact CG-OE1 3.45Å; H30-E51 WeakPolarHBondContact CB-OE2 3.42Å; H30-E51 IonicContact CD2-OE2 3.28Å; H30-E51 PolarHBondContact CD2-OE2 2.79Å; H30-E51 IonicContact CG-OE2 2.68Å; F32-E51 HydrophobicContact CE1-CG 4.02Å; F32-E51 HydrophobicContact CZ-CB 4.35Å; F32-E51 HydrophobicContact CZ-CG 3.85Å; F32-E51 WeakPolarHBondContact CZ-OE2 3.46Å; C49-E51 VanDerWaalsContact C-N 3.27Å; C49-E51 PolarHBondContact O-N 3.37Å; C49-E51 PolarHBondContact SG-N 3.26Å
52C91.2Very high89.2Confident52 Ų5275.1 Ų75.135%0.35142%0.415SS..THydrogen-bonded Turntrans-115.14.1-173.8690000115.5C28 H30 T54C28-C52 WeakPolarHBondContact CB-SG 3.17Å; C28-C52 PolarHBondContact SG-SG 2.85Å; H30-C52 VanDerWaalsContact CE1-SG 3.58Å; H30-C52 PolarHBondContact ND1-SG 2.8Å; H30-C52 VanDerWaalsContact ND1-SG 3.43Å; C52-T54 PolarHBondContact O-N 2.84Å; C52-T54 PolarHBondContact SG-OG1 2.83Å
53R90.8Very high89.4Confident200 Ų20071.9 Ų71.976%0.75538%0.38SS*.  trans60.12.3176.2-54.8-179-178.3179.2-0.2117.2C49 L55C49-R53 WeakPolarHBondContact O-CA 3.42Å; C49-R53 PolarHBondContact O-N 3.36Å; R53-L55 PolarHBondContact O-N 2.9Å
54T91.8Very high89.5Confident64 Ų6472.1 Ų72.139%0.39338%0.379SS..  trans-50.3132170.5-49.40000110.5C28 R48 C49 C52C28-T54 HydrophobicContact CB-CG2 4.29Å; R48-T54 CarbonylContact C-O 3.47Å; R48-T54 WeakPolarHBondContact CA-O 3.18Å; C49-T54 PolarHBondContact N-O 3.1Å; C52-T54 PolarHBondContact O-N 2.84Å; C52-T54 PolarHBondContact SG-OG1 2.83Å
55L92.2Very high89.8Confident63 Ų6366.5 Ų66.533%0.3337%0.365SS..BIsolated β-bridgetrans-69.9151.8174.2-171.861.4000110.3E46 R48 R53 D57E46-L55 HydrophobicContact CB-CD1 4.17Å; R48-L55 HydrophobicContact CG-CD1 3.96Å; R53-L55 PolarHBondContact O-N 2.9Å; L55-D57 VanDerWaalsContact CD2-OD1 3.28Å; L55-D57 WeakPolarHBondContact CD2-OD1 3.38Å; L55-D57 WeakPolarHBondContact CG-OD1 3.27Å
56V91.8Very high89.9Confident7 Ų765 Ų654%0.04234%0.342CS..  trans-130.9101.3-179.5-174.30000108.2L26 P27 L47 C58 L63L26-V56 HydrophobicContact CB-CG2 4.4Å; L26-V56 HydrophobicContact CD2-CG2 3.8Å; L26-V56 HydrophobicContact CG-CG2 3.99Å; P27-V56 HydrophobicContact CG-CG1 4.33Å; L47-V56 HydrophobicContact CB-CB 4.14Å; L47-V56 HydrophobicContact CD2-CB 3.94Å; L47-V56 HydrophobicContact CD2-CG1 3.84Å; L47-V56 HydrophobicContact CG-CB 3.91Å; L47-V56 HydrophobicContact CG-CG1 4.37Å; L47-V56 HydrophobicContact CG-CG2 4.26Å; L47-V56 WeakPolarHBondContact O-CB 3.14Å; L47-V56 PolarHBondContact O-N 2.83Å; V56-C58 PolarHBondContact O-N 3.4Å; V56-L63 HydrophobicContact CG1-CD1 4.37Å; V56-L63 HydrophobicContact CG1-CD2 3.81Å
57D85.8Confident89.6Confident144 Ų14467.4 Ų67.477%0.7736%0.355SS*.  trans-82.513.4-170.1-48.6-67.4000114.1L55L55-D57 VanDerWaalsContact CD2-OD1 3.28Å; L55-D57 WeakPolarHBondContact CD2-OD1 3.38Å; L55-D57 WeakPolarHBondContact CG-OD1 3.27Å
58C86.4Confident89Confident49 Ų4972.4 Ų72.433%0.33138%0.382SS..SBendtrans-130.7157.8-178.255.40000111.7V56 L63V56-C58 PolarHBondContact O-N 3.4Å; C58-L63 VanDerWaalsContact SG-CD2 3.57Å
59A87.5Confident88.7Confident41 Ų4168.1 Ų68.134%0.33937%0.366SS..  trans-70.8150.8-175.600000112.1D61 E62 L63A59-D61 PolarHBondContact O-N 2.94Å; A59-E62 HydrophobicContact CB-CG 4.13Å; A59-E62 WeakPolarHBondContact CB-OE2 3.04Å; A59-E62 PolarHBondContact N-OE2 3.23Å; A59-E62 PolarHBondContact O-N 2.87Å; A59-L63 PolarHBondContact O-N 2.9Å
60V90Very high88.3Confident3 Ų370 Ų702%0.01838%0.378CS..THydrogen-bonded Turntrans-56.3-24177.8-174.30000112.5K24 R34 L37 Q38 L41 L47K24-V60 WeakPolarHBondContact CE-O 3.18Å; K24-V60 HydrophobicContact CG-CG1 4.42Å; R34-V60 HydrophobicContact CG-CG1 4.33Å; L37-V60 HydrophobicContact CB-CB 4.43Å; L37-V60 HydrophobicContact CB-CG1 3.63Å; L37-V60 HydrophobicContact CB-CG2 3.84Å; L37-V60 HydrophobicContact CD1-CG1 4.17Å; Q38-V60 HydrophobicContact CG-CB 4.03Å; Q38-V60 HydrophobicContact CG-CG1 3.94Å; Q38-V60 HydrophobicContact CG-CG2 4.17Å; L41-V60 HydrophobicContact CD2-CG2 4.08Å; L47-V60 HydrophobicContact CD2-CG2 3.81Å
61D88.8Confident88Confident92 Ų9276.6 Ų76.649%0.49240%0.395SS..THydrogen-bonded Turntrans-76.2-36.7179-73.846.4000112.1K24 R34 Q38 A59K24-D61 PolarHBondContact NZ-O 2.83Å; R34-D61 IonicContact CZ-OD1 2.69Å; R34-D61 VanDerWaalsContact CZ-OD1 3.31Å; R34-D61 IonicContact CZ-OD2 3.64Å; R34-D61 IonicContact NH1-OD1 2.71Å; R34-D61 PolarHBondContact NH1-OD1 2.85Å; R34-D61 IonicContact NH1-OD2 2.98Å; R34-D61 PolarHBondContact NH1-OD2 3.38Å; R34-D61 IonicContact NH2-OD1 3.53Å; R34-D61 PolarHBondContact NH2-OD1 2.88Å; R34-D61 IonicContact NH2-OD2 2.67Å; R34-D61 PolarHBondContact NH2-OD2 2.78Å; Q38-D61 PolarHBondContact NE2-OD1 2.9Å; A59-D61 PolarHBondContact O-N 2.94Å
62E88.9Confident87.7Confident140 Ų14073.7 Ų73.765%0.65438%0.383SS*.THydrogen-bonded Turntrans-79-27.6-177.1-60.7170.6144.700112.7A59A59-E62 HydrophobicContact CB-CG 4.13Å; A59-E62 WeakPolarHBondContact CB-OE2 3.04Å; A59-E62 PolarHBondContact N-OE2 3.23Å; A59-E62 PolarHBondContact O-N 2.87Å
63L91.4Very high87.3Confident5 Ų571.6 Ų71.63%0.02637%0.368CS..SBendtrans-52.1142.7176.4-72177.3000112.2K24 L26 L37 L47 V56 C58 A59K24-L63 HydrophobicContact CB-CB 3.98Å; K24-L63 HydrophobicContact CB-CD1 4.23Å; K24-L63 HydrophobicContact CD-CB 4.14Å; K24-L63 VanDerWaalsContact CD-O 3.3Å; K24-L63 WeakPolarHBondContact CD-O 3.48Å; K24-L63 WeakPolarHBondContact CE-O 3.25Å; K24-L63 HydrophobicContact CG-CB 4.29Å; K24-L63 PolarHBondContact NZ-O 2.82Å; L26-L63 HydrophobicContact CD1-CD1 4.04Å; L26-L63 HydrophobicContact CG-CD1 4.29Å; L37-L63 HydrophobicContact CD1-CD1 4.25Å; L47-L63 HydrophobicContact CD2-CD1 4.19Å; V56-L63 HydrophobicContact CG1-CD1 4.37Å; V56-L63 HydrophobicContact CG1-CD2 3.81Å; C58-L63 VanDerWaalsContact SG-CD2 3.57Å; A59-L63 PolarHBondContact O-N 2.9Å
64P89.3Confident86.9Confident84 Ų8464.9 Ų64.955%0.54535%0.347SS..PPolyproline II helixtrans-66.5143.517725.1-32000111.9K24 V25K24-P64 WeakPolarHBondContact CA-O 3.43Å; V25-P64 HydrophobicContact CB-CG 4.32Å; V25-P64 PolarHBondContact N-O 3.24Å
65S90.2Very high86.3Confident48 Ų4864 Ų6434%0.33635%0.35SS..BIsolated β-bridgetrans-82.6144169.9-73.30000110.9A23 I67A23-S65 WeakPolarHBondContact O-CA 3.49Å; S65-I67 PolarHBondContact O-N 3.49Å
66N85.6Confident85.4Confident37 Ų3763 Ų6320%0.19834%0.344CS..  trans-72.798-176.9-169.9-42.2000111.2A23 V25 T31 L68 L69 V70A23-N66 PolarHBondContact O-N 3.31Å; V25-N66 HydrophobicContact CG2-CB 3.53Å; T31-N66 HydrophobicContact CG2-CB 4.01Å; T31-N66 PolarHBondContact OG1-ND2 3.06Å; N66-L68 VanDerWaalsContact C-N 3.26Å; N66-L68 PolarHBondContact O-N 3.2Å; N66-L68 PolarHBondContact OD1-N 2.84Å; N66-L69 HydrophobicContact CB-CB 3.85Å; N66-L69 HydrophobicContact CB-CD2 4.32Å; N66-L69 WeakPolarHBondContact O-CB 3.29Å; N66-L69 PolarHBondContact O-N 3.49Å; N66-L69 PolarHBondContact OD1-N 3.02Å; N66-V70 WeakPolarHBondContact O-CG2 3.43Å; N66-V70 PolarHBondContact O-N 3.45Å
67I84.5Confident84.4Confident127 Ų12769.5 Ų69.565%0.65137%0.372SS*.Hα-helixtrans-65.2-25.5-176.262.8172.1000113.8S65 R71S65-I67 PolarHBondContact O-N 3.49Å; I67-R71 WeakPolarHBondContact O-CG 3.3Å; I67-R71 PolarHBondContact O-N 2.68Å; I67-R71 VanDerWaalsContact O-N 3.07Å
68L79.9Confident82.9Confident108 Ų10867.8 Ų67.857%0.56536%0.36SS*.Hα-helixtrans-73.4-44.7176.8-61.6178.3000110.4N66 V70 R71 L72N66-L68 VanDerWaalsContact C-N 3.26Å; N66-L68 PolarHBondContact O-N 3.2Å; N66-L68 PolarHBondContact OD1-N 2.84Å; L68-V70 PolarHBondContact O-N 3.03Å; L68-R71 PolarHBondContact O-N 2.71Å; L68-L72 WeakPolarHBondContact O-CB 2.95Å; L68-L72 PolarHBondContact O-N 2.7Å
69L84.6Confident81.1Confident8 Ų873.3 Ų73.34%0.04237%0.374CS..Hα-helixtrans-55.6-49169.9171.571.1000110.9L10 L19 D20 A23 N66 R71 L72 L73L10-L69 HydrophobicContact CB-CD1 4.29Å; L10-L69 HydrophobicContact CD1-CD1 4.13Å; L10-L69 HydrophobicContact CD2-CD1 3.79Å; L10-L69 HydrophobicContact CG-CD1 4.28Å; L19-L69 HydrophobicContact CB-CD1 4.09Å; L19-L69 HydrophobicContact CB-CD2 3.78Å; D20-L69 WeakPolarHBondContact O-CD2 3.48Å; A23-L69 HydrophobicContact CB-CD2 3.65Å; N66-L69 HydrophobicContact CB-CB 3.85Å; N66-L69 HydrophobicContact CB-CD2 4.32Å; N66-L69 WeakPolarHBondContact O-CB 3.29Å; N66-L69 PolarHBondContact O-N 3.49Å; N66-L69 PolarHBondContact OD1-N 3.02Å; L69-R71 PolarHBondContact O-N 3.5Å; L69-L72 PolarHBondContact O-N 2.8Å; L69-L73 HydrophobicContact CD1-CD1 3.87Å; L69-L73 HydrophobicContact CD1-CD2 4.28Å; L69-L73 HydrophobicContact CD1-CG 3.87Å; L69-L73 HydrophobicContact CG-CD1 3.84Å; L69-L73 HydrophobicContact CG-CG 4.2Å; L69-L73 WeakPolarHBondContact O-CB 3.32Å; L69-L73 VanDerWaalsContact O-CG 3.23Å; L69-L73 WeakPolarHBondContact O-CG 3.39Å; L69-L73 PolarHBondContact O-N 2.96Å
70V84Confident78.9Confident43 Ų4377 Ų7726%0.26139%0.394SS..Hα-helixtrans-57.2-49.21791740000111.2A21 N66 L68 L72 L73 D74A21-V70 HydrophobicContact CB-CG2 4.01Å; N66-V70 WeakPolarHBondContact O-CG2 3.43Å; N66-V70 PolarHBondContact O-N 3.45Å; L68-V70 PolarHBondContact O-N 3.03Å; V70-L72 VanDerWaalsContact C-N 3.34Å; V70-L72 PolarHBondContact O-N 3.26Å; V70-L73 PolarHBondContact O-N 2.8Å; V70-D74 PolarHBondContact O-N 2.79Å
71R83.3Confident76.5Confident195 Ų19588.7 Ų88.774%0.73644%0.438SS*.Hα-helixtrans-64.7-35.1178.7-71.418070.1171.90.7112.8I67 L68 L69 G75I67-R71 WeakPolarHBondContact O-CG 3.3Å; I67-R71 PolarHBondContact O-N 2.68Å; I67-R71 VanDerWaalsContact O-N 3.07Å; L68-R71 PolarHBondContact O-N 2.71Å; L69-R71 PolarHBondContact O-N 3.5Å; R71-G75 PolarHBondContact O-N 3.06Å
72L83.8Confident73.9Confident38 Ų3889 Ų8920%0.19945%0.452CS..Hα-helixtrans-70.3-45.9176.1-17664.7000111.8L6 L10 L68 L69 V70 D74 G75 I76 I328L6-L72 HydrophobicContact CD1-CD1 4.37Å; L6-L72 HydrophobicContact CD1-CD2 3.95Å; L6-L72 HydrophobicContact CD2-CD1 4.16Å; L6-L72 HydrophobicContact CG-CD2 4.47Å; L10-L72 HydrophobicContact CD1-CD2 3.74Å; L10-L72 HydrophobicContact CD1-CG 4.32Å; L10-L72 HydrophobicContact CD2-CD2 3.82Å; L10-L72 HydrophobicContact CG-CD2 4.27Å; L68-L72 WeakPolarHBondContact O-CB 2.95Å; L68-L72 PolarHBondContact O-N 2.7Å; L69-L72 PolarHBondContact O-N 2.8Å; V70-L72 VanDerWaalsContact C-N 3.34Å; V70-L72 PolarHBondContact O-N 3.26Å; L72-D74 VanDerWaalsContact C-N 3.29Å; L72-D74 PolarHBondContact O-N 3.5Å; L72-G75 PolarHBondContact O-N 2.86Å; L72-I76 HydrophobicContact CG-CD1 4.14Å; L72-I76 VanDerWaalsContact O-CG1 3.31Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 2.79Å; L72-I328 HydrophobicContact CB-CD1 4.49Å; L72-I328 HydrophobicContact CD2-CD1 3.67Å; L72-I328 HydrophobicContact CG-CD1 4.48Å
73L83.3Confident71.4Confident8 Ų887.9 Ų87.94%0.04246%0.461CS..Hα-helixtrans-58.5-41.5175.6-70.5176.2000111.3L10 L69 V70 I76 K77L10-L73 HydrophobicContact CD1-CD2 3.96Å; L69-L73 HydrophobicContact CD1-CD1 3.87Å; L69-L73 HydrophobicContact CD1-CD2 4.28Å; L69-L73 HydrophobicContact CD1-CG 3.87Å; L69-L73 HydrophobicContact CG-CD1 3.84Å; L69-L73 HydrophobicContact CG-CG 4.2Å; L69-L73 WeakPolarHBondContact O-CB 3.32Å; L69-L73 VanDerWaalsContact O-CG 3.23Å; L69-L73 WeakPolarHBondContact O-CG 3.39Å; L69-L73 PolarHBondContact O-N 2.96Å; V70-L73 PolarHBondContact O-N 2.8Å; L73-I76 PolarHBondContact O-N 2.87Å; L73-K77 VanDerWaalsContact O-CG 3.29Å; L73-K77 WeakPolarHBondContact O-CG 3.29Å; L73-K77 PolarHBondContact O-N 2.98Å
74D81.9Confident68.6Low59 Ų5992.4 Ų92.432%0.31650%0.499SS..Hα-helixtrans-73-34.4176.7-77.9-5.6000112.9V70 L72 I76 K77 Q78V70-D74 PolarHBondContact O-N 2.79Å; L72-D74 VanDerWaalsContact C-N 3.29Å; L72-D74 PolarHBondContact O-N 3.5Å; D74-I76 VanDerWaalsContact C-N 3.34Å; D74-I76 PolarHBondContact O-N 3.38Å; D74-K77 PolarHBondContact O-N 2.98Å; D74-K77 WeakPolarHBondContact OD1-CD 3.44Å; D74-K77 WeakPolarHBondContact OD1-CE 3.43Å; D74-K77 IonicContact OD1-NZ 2.83Å; D74-K77 PolarHBondContact OD1-NZ 2.79Å; D74-Q78 WeakPolarHBondContact O-CB 3.38Å; D74-Q78 WeakPolarHBondContact O-CG 3.29Å; D74-Q78 PolarHBondContact O-N 2.9Å
75G79.3Confident65.8Low44 Ų4494 Ų9445%0.45451%0.512SS..Hα-helixtrans-59.3-43.1169.800000112.6R71 L72 Q78R71-G75 PolarHBondContact O-N 3.06Å; L72-G75 PolarHBondContact O-N 2.86Å; G75-Q78 PolarHBondContact O-N 2.94Å
76I74.2Confident63Low42 Ų4296.2 Ų96.222%0.21553%0.533CS..Hα-helixtrans-64.3-40.4174.9-65.2162.3000111.1L6 L10 L72 L73 D74 Q78L6-I76 HydrophobicContact CD2-CD1 3.95Å; L6-I76 HydrophobicContact CD2-CG1 4.15Å; L6-I76 HydrophobicContact CG-CD1 4.22Å; L10-I76 HydrophobicContact CD1-CD1 4.28Å; L72-I76 HydrophobicContact CG-CD1 4.14Å; L72-I76 VanDerWaalsContact O-CG1 3.31Å; L72-I76 WeakPolarHBondContact O-CG1 3.4Å; L72-I76 PolarHBondContact O-N 2.79Å; L73-I76 PolarHBondContact O-N 2.87Å; D74-I76 VanDerWaalsContact C-N 3.34Å; D74-I76 PolarHBondContact O-N 3.38Å; I76-Q78 PolarHBondContact O-N 3.21Å
77K69.4Low60.3Low144 Ų14498 Ų9863%0.62656%0.561SS**Hα-helixtrans-67.5-31.5177.1-70168.9-155.5162.30113.7L73 D74L73-K77 VanDerWaalsContact O-CG 3.29Å; L73-K77 WeakPolarHBondContact O-CG 3.29Å; L73-K77 PolarHBondContact O-N 2.98Å; D74-K77 PolarHBondContact O-N 2.98Å; D74-K77 WeakPolarHBondContact OD1-CD 3.44Å; D74-K77 WeakPolarHBondContact OD1-CE 3.43Å; D74-K77 IonicContact OD1-NZ 2.83Å; D74-K77 PolarHBondContact OD1-NZ 2.79Å
78Q55Low57.7Low108 Ų10895.4 Ų95.451%0.50557%0.565SS.*Hα-helixtrans-87.4-5.2-170.7-73.2173.237.700114.3D74 G75 I76 P80D74-Q78 WeakPolarHBondContact O-CB 3.38Å; D74-Q78 WeakPolarHBondContact O-CG 3.29Å; D74-Q78 PolarHBondContact O-N 2.9Å; G75-Q78 PolarHBondContact O-N 2.94Å; I76-Q78 PolarHBondContact O-N 3.21Å; Q78-P80 VanDerWaalsContact O-CD 3.26Å; Q78-P80 WeakPolarHBondContact O-CD 3.33Å
79R48.5Very low55.2Low166 Ų16697.2 Ų97.263%0.62658%0.58SS**  trans-67.7117.3177.7-163.3177-155.9169.57.2110.5E3 R81E3-R79 WeakPolarHBondContact OE1-CD 3.08Å; E3-R79 IonicContact OE1-CZ 3.31Å; E3-R79 IonicContact OE1-NE 3.06Å; E3-R79 IonicContact OE1-NH1 2.7Å; E3-R79 PolarHBondContact OE1-NH1 2.68Å; R79-R81 PolarHBondContact O-N 3.49Å
80P41.9Very low52.4Low117 Ų117102.9 Ų102.976%0.7662%0.619SS**  trans-64.5128.4174.4-18.732.5000109.6Q78 A82Q78-P80 VanDerWaalsContact O-CD 3.26Å; Q78-P80 WeakPolarHBondContact O-CD 3.33Å; P80-A82 PolarHBondContact O-N 3.25Å
81R39.5Very low49.8Very low250 Ų250105.5 Ų105.594%0.94365%0.645SS**  trans-66.898.4167.6-83.2-176.1170.6150.4-0.5108.7R79 S83R79-R81 PolarHBondContact O-N 3.49Å; R81-S83 PolarHBondContact O-N 3.39Å
82A34.2Very low47.1Very low97 Ų97104.6 Ų104.680%0.80266%0.655SS**  trans-58.3119.6164.700000108.3P80 A84P80-A82 PolarHBondContact O-N 3.25Å; A82-A84 PolarHBondContact O-N 2.99Å; A82-A84 VanDerWaalsContact O-N 3.09Å
83S36.1Very low44.4Very low118 Ų118106.2 Ų106.283%0.82568%0.681SS**  trans-70.4103.7-178.851.10000110.1R81 S85R81-S83 PolarHBondContact O-N 3.39Å; S83-S85 PolarHBondContact O-N 2.83Å
84A32.3Very low41.8Very low100 Ų100111.9 Ų111.983%0.82672%0.716SS**  trans-59.5130165.400000108.9A82A82-A84 PolarHBondContact O-N 2.99Å; A82-A84 VanDerWaalsContact O-N 3.09Å
85S30.7Very low39.3Very low117 Ų117115.1 Ų115.182%0.81874%0.744SS**  trans-65.4140.4-170.9-168.80000112.3S83 G87S83-S85 PolarHBondContact O-N 2.83Å; S85-G87 PolarHBondContact O-N 3.35Å
86A31.9Very low36.9Very low94 Ų94117 Ų11778%0.77776%0.762SS**  trans-73.1109.5167.300000109.5G88A86-G88 PolarHBondContact O-N 3.07Å; A86-G88 VanDerWaalsContact O-N 3.15Å
87G29.2Very low34.7Very low76 Ų76119.8 Ų119.878%0.78479%0.792SS**  trans-69.8103.2166.600000109.8S85S85-G87 PolarHBondContact O-N 3.35Å
88G28.2Very low32.9Very low72 Ų72120.2 Ų120.274%0.74281%0.806SS**  trans-72.1133-178.900000112.7A86A86-G88 PolarHBondContact O-N 3.07Å; A86-G88 VanDerWaalsContact O-N 3.15Å
89V27.9Very low31.7Very low145 Ų145119.6 Ų119.688%0.87982%0.819SS**  trans-121.9125.6162.3178.80000107.4
90C25.4Very low30.8Very low127 Ų127123 Ų12386%0.85883%0.832SS**  trans-90.1136.2-172.6-53.60000111.7
91A29.5Very low30.2Very low99 Ų99121.1 Ų121.182%0.81883%0.827SS**  trans-144.3136.3164.800000109.9
92N26.8Very low29.9Very low175 Ų175117.8 Ų117.894%0.93682%0.822SS**  trans-82.8151-177.6-66.7-34.7000111.7
93G26.9Very low29.6Very low73 Ų73117.1 Ų117.175%0.75382%0.824SS**  trans-164.646-174.300000116.5
94T29.3Very low29.3Very low126 Ų126117.8 Ų117.877%0.77383%0.829SS**  trans3.6131.6161.350.80000121.8
95S30Very low29.1Very low128 Ų128116 Ų11690%0.89582%0.82SS**  trans75.3136139.1-57.70000120.6
96G27.8Very low29.1Very low82 Ų82116.6 Ų116.685%0.84582%0.819SS**  trans162.843.1172.700000116.3
97A28.6Very low29Very low101 Ų101123.7 Ų123.784%0.83583%0.825SS**  trans-88135.3-177.200000113.4
98V31.3Very low28.9Very low153 Ų153127.1 Ų127.193%0.92783%0.826SS**  trans-146.8137.7154.5-109.90000109.4
99A29.4Very low29.6Very low95 Ų95129.5 Ų129.579%0.78583%0.828SS**  trans-137.7150.5-172.300000112.2
100R29.1Very low29.5Very low237 Ų237126.4 Ų126.489%0.89483%0.825SS**  trans-144.7122.8149.7-70.1-159.6170154.41.4106.3
101A29.5Very low29.7Very low79 Ų79125 Ų12565%0.65382%0.823SS**  63132.779.400000111.5
102H33.1Very low30.3Very low180 Ų180126.6 Ų126.683%0.83383%0.825SS**  cis-145.4163.937.5-70.2-108.2000115
103G28.7Very low30.3Very low82 Ų82122 Ų12285%0.84582%0.819SS**  96.9137.7125.300000118.9
104S28.7Very low30.3Very low132 Ų132126.8 Ų126.892%0.92383%0.826SS**  trans-145.3155.6174.4179.20000109.8
105G28.8Very low30.4Very low62 Ų62129.2 Ų129.264%0.63983%0.829SS**  trans147.368.8164.800000120
106T30.9Very low30.7Very low130 Ų130128.5 Ų128.580%0.79882%0.822SS**  trans26.8130.4137.661.80000122.7
107R29.8Very low30.9Very low243 Ų243133.6 Ų133.692%0.91782%0.823SS**  156.8145.1117.2-82.517897.9155.36114.5
108D26.7Very low31.2Very low149 Ų149139.6 Ų139.680%0.79782%0.824SS**  trans-94.3178171.3-114.1-70.1000111
109P43.4Very low31.1Very low121 Ų121139 Ų13979%0.78682%0.822SS**  cis-135.8172.5-6.238.6-20.6000116.8
110G25.5Very low31.5Very low80 Ų80142.5 Ų142.583%0.82582%0.822SS**  trans171.6131.6162.900000116.1
111A30.8Very low31.6Very low97 Ų97136 Ų13680%0.80282%0.818SS**  trans-133.6169.917700000109.5
112P41Very low31.6Very low133 Ų133141.6 Ų141.686%0.86483%0.828SS**  cis-132.717311.142.2-26.1000116.4
113G27Very low31.5Very low79 Ų79138.5 Ų138.581%0.81483%0.826SS**  trans-168.5140.8170.700000113.9
114L27.8Very low31.6Very low173 Ų173140.6 Ų140.691%0.90682%0.823SS**  trans-71.9160.5174.6-61.5151.6000109.9
115Q29.7Very low31.8Very low177 Ų177139 Ų13983%0.82782%0.818SS**  cis-151.1-148.918.2-145.4-172.15.600111.2
116P38.2Very low32.1Very low114 Ų114142.1 Ų142.174%0.7482%0.824SS**  trans-101.7149.5-139.640.5-28.5000116.7
117Q31.2Very low32.5Very low188 Ų188147.9 Ų147.988%0.87983%0.831SS**  trans-146103.3165.8-160.8171.24.200115.3T119Q117-T119 PolarHBondContact O-N 3.42Å
118R34.1Very low33.1Very low228 Ų228139.6 Ų139.686%0.8682%0.821SS**  trans17.888.2148.8-165.7-177.4-168.3174.34.4118
119T29Very low33.5Very low141 Ų141139.9 Ų139.987%0.86582%0.82SS**  trans-75.4121.5164.635.60000111.7Q117Q117-T119 PolarHBondContact O-N 3.42Å
120Q38.5Very low33.3Very low168 Ų168138.8 Ų138.879%0.78581%0.813SS**  trans-79.5120.7165.8-72.7-179.4-17.400109.5K122Q120-K122 PolarHBondContact O-N 3.4Å; Q120-K122 VanDerWaalsContact O-N 3.11Å
121A32.2Very low34.9Very low99 Ų99140.5 Ų140.582%0.81880%0.799SS**  trans-68.1107.817000000109.5S123A121-S123 PolarHBondContact O-N 3.43Å; A121-S123 VanDerWaalsContact O-N 3.11Å
122K29Very low37.2Very low198 Ų198139.2 Ų139.286%0.86178%0.778SS**  trans-78.891.6-175.9-176.7177.4179.9176.70110.3Q120 T124Q120-K122 PolarHBondContact O-N 3.4Å; Q120-K122 VanDerWaalsContact O-N 3.11Å; K122-T124 PolarHBondContact O-N 3.49Å; K122-T124 VanDerWaalsContact O-N 3.09Å
123S30Very low39.4Very low115 Ų115133.9 Ų133.980%0.80474%0.744SS**  trans-52.7114.2178.4-56.90000111.9A121 A125A121-S123 PolarHBondContact O-N 3.43Å; A121-S123 VanDerWaalsContact O-N 3.11Å; S123-A125 PolarHBondContact O-N 3.41Å; S123-A125 VanDerWaalsContact O-N 3.12Å
124T31.7Very low42.5Very low126 Ų126131.2 Ų131.277%0.77371%0.713SS**  trans-71103.2174.639.20000109.8K122 V126K122-T124 PolarHBondContact O-N 3.49Å; K122-T124 VanDerWaalsContact O-N 3.09Å; T124-V126 PolarHBondContact O-N 3.02Å
125A33.2Very low45.6Very low98 Ų98123 Ų12381%0.8167%0.67SS**  trans-64.898.5175.600000110.6S123 R127S123-A125 PolarHBondContact O-N 3.41Å; S123-A125 VanDerWaalsContact O-N 3.12Å; A125-R127 PolarHBondContact O-N 3.39Å
126V34.9Very low48.6Very low128 Ų128118.8 Ų118.878%0.77665%0.648SS**  trans-65.4116.4175.2177.40000108.8T124 G128T124-V126 PolarHBondContact O-N 3.02Å; V126-G128 PolarHBondContact O-N 3Å
127R40Very low51.3Low250 Ų250113.4 Ų113.494%0.94361%0.614SS**SBendtrans-81.898.1-171.1-171.7-174.4-169.4-171.64.5110.8A125A125-R127 PolarHBondContact O-N 3.39Å
128G41.8Very low54.3Low69 Ų69107.4 Ų107.471%0.71159%0.587SS**  trans107.196.1168.400000114.1V126V126-G128 PolarHBondContact O-N 3Å
129M34.7Very low57.1Low155 Ų155102.9 Ų102.976%0.76457%0.571SS**  trans-130.8154.6152.6-88.7-141.3170.900108.8L132M129-L132 HydrophobicContact SD-CD1 4.2Å
130P40Very low60.2Low99 Ų99100.4 Ų100.464%0.64355%0.553SS**  trans-60.9159.4173.928-35.6000110.4L132P130-L132 HydrophobicContact CG-CD2 4.4Å; P130-L132 HydrophobicContact CG-CG 4.47Å; P130-L132 PolarHBondContact O-N 3.4Å
131Q58.9Low62.8Low116 Ų11693 Ų9354%0.54252%0.518SS..  trans-66.785.5169.6-70.2175.43.900110K188Q131-K188 HydrophobicContact CB-CD 4.18Å; Q131-K188 WeakPolarHBondContact O-CD 3.45Å; Q131-K188 WeakPolarHBondContact O-CE 3.22Å; Q131-K188 PolarHBondContact O-NZ 3.2Å
132L78.5Confident65.6Low69 Ų6994.3 Ų94.336%0.36151%0.511SS..  trans-62.3150.1176.4-69.5163.5000110.7M129 P130 C134 I158M129-L132 HydrophobicContact SD-CD1 4.2Å; P130-L132 HydrophobicContact CG-CD2 4.4Å; P130-L132 HydrophobicContact CG-CG 4.47Å; P130-L132 PolarHBondContact O-N 3.4Å; L132-C134 PolarHBondContact O-N 2.78Å; L132-I158 HydrophobicContact CB-CG2 4.05Å; L132-I158 HydrophobicContact CD1-CD1 4.32Å; L132-I158 HydrophobicContact CD1-CG2 4.16Å
133P87.8Confident68.4Low21 Ų2185.7 Ų85.714%0.13648%0.478CS..  trans-52.7136.6166.4-28.539.4000111.2L159 K188 L190P133-L159 HydrophobicContact CB-CB 3.93Å; P133-L159 PolarHBondContact O-N 2.94Å; P133-K188 CarbonylContact C-O 3.52Å; P133-K188 WeakPolarHBondContact CA-O 3.29Å; P133-L190 HydrophobicContact CB-CD2 3.84Å; P133-L190 HydrophobicContact CB-CG 4.11Å; P133-L190 HydrophobicContact CG-CD2 4.08Å
134C91.3Very high71Confident24 Ų2489.1 Ų89.116%0.16248%0.478CS..EExtended strand (participates in β ladder)trans-154.9153.1-175.564.70000112.7L132 I156 I157 I187 K188L132-C134 PolarHBondContact O-N 2.78Å; C134-I156 HydrophobicContact CB-CG2 4.24Å; C134-I157 CarbonylContact C-O 3.57Å; C134-I157 WeakPolarHBondContact CA-O 3.43Å; C134-I157 WeakPolarHBondContact CB-O 3.44Å; C134-I187 PolarHBondContact O-N 2.97Å; C134-K188 PolarHBondContact N-O 3.27Å; C134-K188 PolarHBondContact O-N 3.24Å
135A93.3Very high73.5Confident0 Ų089.8 Ų89.80%047%0.473CS..EExtended strand (participates in β ladder)trans-130.4156.7173.700000110.3I157 L159 V184 Q185 V186A135-I157 PolarHBondContact N-O 2.86Å; A135-I157 PolarHBondContact O-N 3.18Å; A135-L159 HydrophobicContact CB-CD1 4.29Å; A135-L159 HydrophobicContact CB-CD2 3.88Å; A135-L159 HydrophobicContact CB-CG 4.2Å; A135-V184 HydrophobicContact CB-CB 3.83Å; A135-V184 HydrophobicContact CB-CG2 3.77Å; A135-Q185 CarbonylContact C-O 3.5Å; A135-Q185 VanDerWaalsContact CA-O 3.25Å; A135-Q185 WeakPolarHBondContact CA-O 3.25Å; A135-Q185 WeakPolarHBondContact CB-O 3.46Å; A135-V186 HydrophobicContact CB-CG2 4.4Å
136K93.2Very high75.8Confident88 Ų8892 Ų9238%0.38348%0.479SS..EExtended strand (participates in β ladder)trans-108.4130.6175.1176.6176.5-178-177.30110L138 D155 I156 V184 Q185 I187K136-L138 PolarHBondContact O-N 3.28Å; K136-D155 CarbonylContact C-O 3.55Å; K136-D155 VanDerWaalsContact CA-O 3.29Å; K136-D155 WeakPolarHBondContact CA-O 3.29Å; K136-I156 HydrophobicContact CB-CD1 3.8Å; K136-I156 HydrophobicContact CD-CD1 4.22Å; K136-I156 HydrophobicContact CG-CD1 3.91Å; K136-V184 CarbonylContact O-C 3.59Å; K136-V184 VanDerWaalsContact O-CA 3.29Å; K136-V184 WeakPolarHBondContact O-CA 3.29Å; K136-Q185 PolarHBondContact N-O 3.18Å; K136-Q185 PolarHBondContact O-N 2.73Å; K136-I187 HydrophobicContact CB-CD1 3.69Å; K136-I187 HydrophobicContact CB-CG1 4.22Å
137A95Very high78.3Confident1 Ų187.8 Ų87.81%0.00846%0.461CS..EExtended strand (participates in β ladder)trans-60.7123173.700000111.4F151 S152 G154 D155A137-F151 HydrophobicContact CB-CD2 3.38Å; A137-F151 HydrophobicContact CB-CE2 3.63Å; A137-F151 HydrophobicContact CB-CG 4.33Å; A137-S152 WeakPolarHBondContact CB-O 3.43Å; A137-G154 PolarHBondContact O-N 2.99Å; A137-D155 HydrophobicContact CB-CB 4.39Å; A137-D155 PolarHBondContact N-O 3.3Å
138L92.9Very high80.8Confident63 Ų6376.7 Ų76.733%0.3342%0.421SS..SBendtrans-86.2-26.6173.6-70.8176.9000112.1K136 K153 F183 Q185K136-L138 PolarHBondContact O-N 3.28Å; L138-K153 WeakPolarHBondContact O-CD 3.47Å; L138-K153 WeakPolarHBondContact O-CE 3.27Å; L138-K153 VanDerWaalsContact O-CG 3.27Å; L138-K153 WeakPolarHBondContact O-CG 3.17Å; L138-F183 PolarHBondContact N-O 2.78Å; L138-Q185 HydrophobicContact CD1-CB 4.07Å; L138-Q185 HydrophobicContact CD2-CB 3.9Å; L138-Q185 HydrophobicContact CG-CB 3.93Å
139Y93.6Very high83.2Confident132 Ų13273.5 Ų73.552%0.51839%0.387SS..SBendtrans-137.3165.4-178.5-52.9-80.8000109.5
140N93.1Very high86Confident90 Ų9072.2 Ų72.248%0.48138%0.377SS..  trans-72.7146.6167.2-629.6000108.9F151 K153 F183N140-F151 WeakPolarHBondContact CA-O 3.46Å; N140-K153 WeakPolarHBondContact OD1-CB 3.46Å; N140-K153 PolarHBondContact OD1-N 3.08Å; N140-F183 WeakPolarHBondContact O-CD1 3.46Å; N140-F183 WeakPolarHBondContact O-CE1 3.5Å
141Y93.3Very high88.5Confident12 Ų1268 Ų685%0.04735%0.349CS..BIsolated β-bridgetrans-139.2107.8173.6-177.4-119.3000109.4G143 D148 L149 K150 F151 W167 F179 P180 F183Y141-G143 VanDerWaalsContact C-N 3.26Å; Y141-G143 PolarHBondContact O-N 3.02Å; Y141-D148 HydrophobicContact CE1-CB 3.98Å; Y141-D148 VanDerWaalsContact OH-CG 3.25Å; Y141-D148 PolarHBondContact OH-OD2 2.78Å; Y141-L149 WeakPolarHBondContact CD1-O 3.28Å; Y141-K150 CarbonylContact O-C 3.51Å; Y141-K150 VanDerWaalsContact O-CA 3.27Å; Y141-K150 WeakPolarHBondContact O-CA 3.21Å; Y141-F151 HydrophobicContact CD1-CD1 4.4Å; Y141-F151 AromaticContact CD1-CE1 3.81Å; Y141-F151 HydrophobicContact CD1-CE1 3.81Å; Y141-F151 HydrophobicContact CD1-CZ 4.05Å; Y141-F151 HydrophobicContact CG-CE1 4.31Å; Y141-F151 HydrophobicContact CG-CZ 4.11Å; Y141-F151 PolarHBondContact N-O 2.85Å; Y141-F151 PolarHBondContact O-N 2.85Å; Y141-W167 WeakPolarHBondContact OH-CH2 3.11Å; Y141-W167 WeakPolarHBondContact OH-CZ3 3.35Å; Y141-F179 HydrophobicContact CD1-CB 3.93Å; Y141-F179 HydrophobicContact CE1-CB 3.78Å; Y141-P180 HydrophobicContact CE2-CG 3.99Å; Y141-P180 VanDerWaalsContact CZ-CD 3.47Å; Y141-F183 HydrophobicContact CD2-CD1 4Å; Y141-F183 HydrophobicContact CD2-CE1 4.03Å; Y141-F183 HydrophobicContact CD2-CG 4.48Å; Y141-F183 HydrophobicContact CG-CD1 4.26Å
142D91.3Very high90.2Very high127 Ų12765.3 Ų65.368%0.67934%0.343SS*.  trans-81.9-1.3-174.4-56.6-84.7000113.7K150D142-K150 WeakPolarHBondContact O-CD 3.33Å; D142-K150 WeakPolarHBondContact O-CE 3.03Å; D142-K150 VanDerWaalsContact O-CG 3.28Å; D142-K150 WeakPolarHBondContact O-CG 3.37Å; D142-K150 PolarHBondContact O-NZ 3.35Å
143G87.7Confident90.9Very high16 Ų1668.8 Ų68.817%0.16536%0.355CS..  trans67.6118.2-17700000113.6Y141 D148 K150Y141-G143 VanDerWaalsContact C-N 3.26Å; Y141-G143 PolarHBondContact O-N 3.02Å; G143-D148 VanDerWaalsContact CA-CB 3.46Å; G143-K150 PolarHBondContact O-NZ 3.46Å
144K83.9Confident91.1Very high187 Ų18769.3 Ų69.381%0.81337%0.365SS*.SBendtrans-86.5-35.9-177.4-65.1-175.8178.1-178.80112.7D148K144-D148 WeakPolarHBondContact CA-OD2 3.43Å; K144-D148 PolarHBondContact N-OD2 2.85Å
145E85.3Confident91.1Very high140 Ų14070.9 Ų70.965%0.65437%0.372SS*.SBendtrans-116.6154.2-173.8-65-163168.200112.7G147 D148E145-G147 PolarHBondContact O-N 3.24Å; E145-D148 PolarHBondContact N-OD2 3.11Å; E145-D148 PolarHBondContact O-N 2.61Å
146P82Confident91.1Very high146 Ų14675.3 Ų75.395%0.94839%0.394SS*.THydrogen-bonded Turntrans-69.490.517629.2-35000110.8
147G86.3Confident91.2Very high39 Ų3971.1 Ų71.140%0.40238%0.376SS..THydrogen-bonded Turntrans146.3-12.2-171.400000112.9E145 G177 F178E145-G147 PolarHBondContact O-N 3.24Å; G147-G177 CarbonylContact O-C 3.53Å; G147-G177 WeakPolarHBondContact O-CA 3.44Å; G147-F178 WeakPolarHBondContact O-CD2 3.45Å; G147-F178 PolarHBondContact O-N 3.39Å
148D92.4Very high91.1Very high17 Ų1773.8 Ų73.89%0.09139%0.389CS..BIsolated β-bridgetrans-74.2138.9176.2-72.6-18.4000112.9Y141 G143 K144 E145 K150 F178Y141-D148 HydrophobicContact CE1-CB 3.98Å; Y141-D148 VanDerWaalsContact OH-CG 3.25Å; Y141-D148 PolarHBondContact OH-OD2 2.78Å; G143-D148 VanDerWaalsContact CA-CB 3.46Å; K144-D148 WeakPolarHBondContact CA-OD2 3.43Å; K144-D148 PolarHBondContact N-OD2 2.85Å; E145-D148 PolarHBondContact N-OD2 3.11Å; E145-D148 PolarHBondContact O-N 2.61Å; D148-K150 PolarHBondContact O-N 3.43Å; D148-F178 CarbonylContact C-O 3.56Å; D148-F178 VanDerWaalsContact CA-O 3.26Å; D148-F178 WeakPolarHBondContact CA-O 3.25Å
149L92.7Very high91Very high1 Ų171 Ų711%0.00538%0.375CS..  trans-81110.4173.7-175.267.4000110Y141 F151 I157 M172 V175 F178 F179Y141-L149 WeakPolarHBondContact CD1-O 3.28Å; L149-F151 HydrophobicContact CG-CD1 4.42Å; L149-F151 WeakPolarHBondContact O-CD1 3.47Å; L149-I157 HydrophobicContact CD2-CG1 4.36Å; L149-I157 HydrophobicContact CD2-CG2 3.53Å; L149-M172 HydrophobicContact CD1-CB 4.23Å; L149-M172 HydrophobicContact CD2-CB 4.08Å; L149-M172 HydrophobicContact CG-CB 4.48Å; L149-V175 HydrophobicContact CD1-CB 4.14Å; L149-V175 HydrophobicContact CD1-CG1 3.96Å; L149-V175 WeakPolarHBondContact CD1-O 3.28Å; L149-F178 PolarHBondContact N-O 3.42Å; L149-F179 HydrophobicContact CB-CD1 3.97Å; L149-F179 HydrophobicContact CD2-CD1 3.94Å; L149-F179 HydrophobicContact CD2-CE1 3.86Å
150K92.9Very high90.7Very high128 Ų12872 Ų7256%0.55738%0.378SS*.  trans-79.6132.3179.2-49-175.9-176.5-880110.8Y141 D142 G143 D148 M172Y141-K150 CarbonylContact O-C 3.51Å; Y141-K150 VanDerWaalsContact O-CA 3.27Å; Y141-K150 WeakPolarHBondContact O-CA 3.21Å; D142-K150 WeakPolarHBondContact O-CD 3.33Å; D142-K150 WeakPolarHBondContact O-CE 3.03Å; D142-K150 VanDerWaalsContact O-CG 3.28Å; D142-K150 WeakPolarHBondContact O-CG 3.37Å; D142-K150 PolarHBondContact O-NZ 3.35Å; G143-K150 PolarHBondContact O-NZ 3.46Å; D148-K150 PolarHBondContact O-N 3.43Å; K150-M172 WeakPolarHBondContact O-CE 3.49Å
151F93.7Very high90.5Very high10 Ų1076.2 Ų76.24%0.04439%0.387CS..BIsolated β-bridgetrans-153.7163.3-179.656-104.4000114.4A137 N140 Y141 L149 D155 I157 M172 F179 F183 V184A137-F151 HydrophobicContact CB-CD2 3.38Å; A137-F151 HydrophobicContact CB-CE2 3.63Å; A137-F151 HydrophobicContact CB-CG 4.33Å; N140-F151 WeakPolarHBondContact CA-O 3.46Å; Y141-F151 HydrophobicContact CD1-CD1 4.4Å; Y141-F151 AromaticContact CD1-CE1 3.81Å; Y141-F151 HydrophobicContact CD1-CE1 3.81Å; Y141-F151 HydrophobicContact CD1-CZ 4.05Å; Y141-F151 HydrophobicContact CG-CE1 4.31Å; Y141-F151 HydrophobicContact CG-CZ 4.11Å; Y141-F151 PolarHBondContact N-O 2.85Å; Y141-F151 PolarHBondContact O-N 2.85Å; L149-F151 HydrophobicContact CG-CD1 4.42Å; L149-F151 WeakPolarHBondContact O-CD1 3.47Å; F151-D155 HydrophobicContact CB-CB 4.44Å; F151-I157 HydrophobicContact CB-CD1 4.42Å; F151-I157 HydrophobicContact CD1-CD1 3.45Å; F151-I157 VanDerWaalsContact CD1-CD1 3.45Å; F151-I157 HydrophobicContact CD1-CG1 4.28Å; F151-I157 HydrophobicContact CD2-CD1 4.14Å; F151-I157 HydrophobicContact CE1-CD1 3.54Å; F151-I157 HydrophobicContact CE2-CD1 4.22Å; F151-I157 HydrophobicContact CG-CD1 3.76Å; F151-I157 HydrophobicContact CG-CG1 4.5Å; F151-I157 HydrophobicContact CZ-CD1 3.93Å; F151-M172 HydrophobicContact CB-CE 3.69Å; F151-M172 HydrophobicContact CB-SD 3.74Å; F151-F179 HydrophobicContact CE1-CB 3.55Å; F151-F179 HydrophobicContact CE1-CD1 4.24Å; F151-F179 AromaticContact CE1-CD2 3.97Å; F151-F179 HydrophobicContact CE1-CD2 3.97Å; F151-F179 AromaticContact CE1-CG 3.67Å; F151-F179 HydrophobicContact CE1-CG 3.67Å; F151-F179 HydrophobicContact CZ-CB 4.11Å; F151-F179 HydrophobicContact CZ-CD2 4.21Å; F151-F179 HydrophobicContact CZ-CG 4.29Å; F151-F183 HydrophobicContact CE2-CB 4.4Å; F151-F183 HydrophobicContact CZ-CB 4.13Å; F151-V184 HydrophobicContact CE2-CG1 4.26Å; F151-V184 HydrophobicContact CZ-CG1 3.83Å
152S94.7Very high90.2Very high61 Ų6179.5 Ų79.543%0.42740%0.403SS..  trans-106.1153.4176.5-63.50000112.5A137 G154 D155A137-S152 WeakPolarHBondContact CB-O 3.43Å; S152-G154 PolarHBondContact O-N 3.37Å; S152-D155 WeakPolarHBondContact CA-OD2 3.44Å; S152-D155 WeakPolarHBondContact CB-OD2 3.35Å; S152-D155 PolarHBondContact N-OD2 3.36Å; S152-D155 VanDerWaalsContact O-CB 3.3Å; S152-D155 WeakPolarHBondContact O-CB 3.48Å; S152-D155 VanDerWaalsContact O-CG 3.26Å; S152-D155 PolarHBondContact O-N 3.41Å; S152-D155 VanDerWaalsContact O-N 3.08Å
153K93.6Very high89.9Confident141 Ų14177 Ų7761%0.61339%0.392SS*.THydrogen-bonded Turntrans-53.3122.7173.4175.1171-172.9166.80111.2L138 N140L138-K153 WeakPolarHBondContact O-CD 3.47Å; L138-K153 WeakPolarHBondContact O-CE 3.27Å; L138-K153 VanDerWaalsContact O-CG 3.27Å; L138-K153 WeakPolarHBondContact O-CG 3.17Å; N140-K153 WeakPolarHBondContact OD1-CB 3.46Å; N140-K153 PolarHBondContact OD1-N 3.08Å
154G90.1Very high89.8Confident32 Ų3279.5 Ų79.533%0.3340%0.401SS..THydrogen-bonded Turntrans105.3-19.5-17900000114.5A137 S152A137-G154 PolarHBondContact O-N 2.99Å; S152-G154 PolarHBondContact O-N 3.37Å
155D93Very high89.6Confident58 Ų5877.4 Ų77.431%0.3140%0.395SS..  trans-62.3151.5179.1-68.8-20.6000112.1K136 A137 F151 S152 M172K136-D155 CarbonylContact C-O 3.55Å; K136-D155 VanDerWaalsContact CA-O 3.29Å; K136-D155 WeakPolarHBondContact CA-O 3.29Å; A137-D155 HydrophobicContact CB-CB 4.39Å; A137-D155 PolarHBondContact N-O 3.3Å; F151-D155 HydrophobicContact CB-CB 4.44Å; S152-D155 WeakPolarHBondContact CA-OD2 3.44Å; S152-D155 WeakPolarHBondContact CB-OD2 3.35Å; S152-D155 PolarHBondContact N-OD2 3.36Å; S152-D155 VanDerWaalsContact O-CB 3.3Å; S152-D155 WeakPolarHBondContact O-CB 3.48Å; S152-D155 VanDerWaalsContact O-CG 3.26Å; S152-D155 PolarHBondContact O-N 3.41Å; S152-D155 VanDerWaalsContact O-N 3.08Å; D155-M172 HydrophobicContact CB-SD 3.63Å
156I93.3Very high89.8Confident92 Ų9275.8 Ų75.847%0.47239%0.39SS..EExtended strand (participates in β ladder)trans-107.8116.3178.6-53-59.2000109.3C134 K136 I187C134-I156 HydrophobicContact CB-CG2 4.24Å; K136-I156 HydrophobicContact CB-CD1 3.8Å; K136-I156 HydrophobicContact CD-CD1 4.22Å; K136-I156 HydrophobicContact CG-CD1 3.91Å; I156-I187 HydrophobicContact CD1-CD1 3.97Å
157I93.6Very high90.2Very high0 Ų072.9 Ų72.90%036%0.361CS..EExtended strand (participates in β ladder)trans-104.5131.1-178-57154.3000108.4C134 A135 L149 F151 M172 F179 V184C134-I157 CarbonylContact C-O 3.57Å; C134-I157 WeakPolarHBondContact CA-O 3.43Å; C134-I157 WeakPolarHBondContact CB-O 3.44Å; A135-I157 PolarHBondContact N-O 2.86Å; A135-I157 PolarHBondContact O-N 3.18Å; L149-I157 HydrophobicContact CD2-CG1 4.36Å; L149-I157 HydrophobicContact CD2-CG2 3.53Å; F151-I157 HydrophobicContact CB-CD1 4.42Å; F151-I157 HydrophobicContact CD1-CD1 3.45Å; F151-I157 VanDerWaalsContact CD1-CD1 3.45Å; F151-I157 HydrophobicContact CD1-CG1 4.28Å; F151-I157 HydrophobicContact CD2-CD1 4.14Å; F151-I157 HydrophobicContact CE1-CD1 3.54Å; F151-I157 HydrophobicContact CE2-CD1 4.22Å; F151-I157 HydrophobicContact CG-CD1 3.76Å; F151-I157 HydrophobicContact CG-CG1 4.5Å; F151-I157 HydrophobicContact CZ-CD1 3.93Å; I157-M172 HydrophobicContact CG1-CB 4.45Å; I157-M172 HydrophobicContact CG1-SD 4.21Å; I157-F179 HydrophobicContact CB-CZ 4.38Å; I157-F179 HydrophobicContact CD1-CE2 4.3Å; I157-F179 HydrophobicContact CD1-CZ 4.3Å; I157-F179 HydrophobicContact CG2-CE1 3.61Å; I157-F179 HydrophobicContact CG2-CZ 3.57Å; I157-V184 HydrophobicContact CD1-CG1 3.8Å
158I92.6Very high90.6Very high57 Ų5772.3 Ų72.329%0.29235%0.347SS..EExtended strand (participates in β ladder)trans-79.9120.8173.7-59.9173.7000107.9L132 R160 G170 E171L132-I158 HydrophobicContact CB-CG2 4.05Å; L132-I158 HydrophobicContact CD1-CD1 4.32Å; L132-I158 HydrophobicContact CD1-CG2 4.16Å; I158-R160 PolarHBondContact O-N 3.2Å; I158-G170 CarbonylContact O-C 3.55Å; I158-G170 WeakPolarHBondContact O-CA 3.3Å; I158-E171 HydrophobicContact CB-CB 4.49Å; I158-E171 PolarHBondContact N-O 2.92Å; I158-E171 PolarHBondContact O-N 3.03Å
159L91.8Very high90.6Very high4 Ų473.4 Ų73.42%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-77.2123.5176.7-58.2179.5000109.1P133 A135 Y168 F179 V186 L190P133-L159 HydrophobicContact CB-CB 3.93Å; P133-L159 PolarHBondContact O-N 2.94Å; A135-L159 HydrophobicContact CB-CD1 4.29Å; A135-L159 HydrophobicContact CB-CD2 3.88Å; A135-L159 HydrophobicContact CB-CG 4.2Å; L159-Y168 HydrophobicContact CD1-CE1 4.37Å; L159-Y168 HydrophobicContact CD2-CD1 4.16Å; L159-Y168 HydrophobicContact CD2-CD2 4.24Å; L159-Y168 HydrophobicContact CD2-CG 3.93Å; L159-F179 HydrophobicContact CD2-CE2 4.3Å; L159-F179 HydrophobicContact CD2-CZ 3.76Å; L159-V186 HydrophobicContact CD1-CG1 4.1Å; L159-V186 HydrophobicContact CD1-CG2 4.28Å; L159-L190 HydrophobicContact CB-CD1 4.15Å; L159-L190 HydrophobicContact CB-CD2 3.85Å; L159-L190 HydrophobicContact CB-CG 3.81Å; L159-L190 HydrophobicContact CD1-CD1 4.49Å; L159-L190 HydrophobicContact CD1-CG 4.24Å
160R88.3Confident90.6Very high155 Ų15573.4 Ų73.459%0.58535%0.351SS*.EExtended strand (participates in β ladder)trans-97-41.9176.4-70.9-64.8-156.31502.3111.7I158 H169 E171I158-R160 PolarHBondContact O-N 3.2Å; R160-H169 WeakPolarHBondContact CB-O 3.49Å; R160-H169 PolarHBondContact N-O 2.89Å; R160-E171 HydrophobicContact CG-CB 4.31Å; R160-E171 IonicContact CZ-OE2 3.12Å; R160-E171 IonicContact NE-OE2 2.77Å; R160-E171 PolarHBondContact NE-OE2 3.31Å; R160-E171 IonicContact NH2-OE1 3.98Å; R160-E171 IonicContact NH2-OE2 2.65Å; R160-E171 PolarHBondContact NH2-OE2 3.43Å
161R87.6Confident90.6Very high178 Ų17869.4 Ų69.467%0.67233%0.334SS*.EExtended strand (participates in β ladder)trans-159.6149.8179.8172.5170.5-68.2175.2-0.1110.3H169 L190R161-H169 PolarHBondContact N-O 3.19Å; R161-H169 PolarHBondContact O-N 2.86Å; R161-H169 VanDerWaalsContact O-O 3.07Å; R161-L190 VanDerWaalsContact C-CD1 3.45Å
162Q87.1Confident90.4Very high80 Ų8071.1 Ų71.137%0.37434%0.343SS..EExtended strand (participates in β ladder)trans-89.9127163.3-172.9164.7-1.600107.7D164 Y168 L190Q162-D164 WeakPolarHBondContact CG-O 3.29Å; Q162-D164 PolarHBondContact NE2-O 3.01Å; Q162-Y168 HydrophobicContact CB-CD1 3.87Å; Q162-Y168 HydrophobicContact CB-CE1 3.75Å; Q162-Y168 HydrophobicContact CG-CD1 3.98Å; Q162-Y168 HydrophobicContact CG-CE1 3.7Å; Q162-L190 HydrophobicContact CB-CD1 3.84Å
163V85.6Confident89.8Confident76 Ų7672.4 Ų72.446%0.46137%0.366SS..  trans-82.3-49.8179.4-177.80000108.8W167 H169 F178V163-W167 HydrophobicContact CB-CB 4.17Å; V163-W167 PolarHBondContact N-O 3.08Å; V163-H169 HydrophobicContact CG2-CB 4.15Å; V163-F178 HydrophobicContact CG2-CD1 3.8Å; V163-F178 HydrophobicContact CG2-CE1 3.79Å
164D84.4Confident89.3Confident67 Ų6768.2 Ų68.236%0.35836%0.363SS..SBendtrans-155.4-167178.955.256.9000109.6Q162 N166 W167Q162-D164 WeakPolarHBondContact CG-O 3.29Å; Q162-D164 PolarHBondContact NE2-O 3.01Å; D164-N166 PolarHBondContact O-N 3.47Å; D164-N166 VanDerWaalsContact OD1-CA 3.31Å; D164-N166 WeakPolarHBondContact OD1-CA 3.46Å; D164-N166 WeakPolarHBondContact OD1-CB 3.33Å; D164-N166 PolarHBondContact OD1-N 2.94Å; D164-W167 PolarHBondContact N-O 2.94Å; D164-W167 PolarHBondContact OD1-N 2.89Å
165E80.7Confident89.2Confident144 Ų14471 Ų7167%0.67337%0.374SS*.SBendtrans-70.9-18.9-178.9-61.6179.9174.600113.3T181E165-T181 WeakPolarHBondContact O-CG2 3.23Å; E165-T181 PolarHBondContact O-OG1 3.06Å
166N88.4Confident89.2Confident106 Ų10674.6 Ų74.657%0.56739%0.388SS*.SBendtrans-108-17.8-175.5-53.4126.7000113.6D164 P180 T181D164-N166 PolarHBondContact O-N 3.47Å; D164-N166 VanDerWaalsContact OD1-CA 3.31Å; D164-N166 WeakPolarHBondContact OD1-CA 3.46Å; D164-N166 WeakPolarHBondContact OD1-CB 3.33Å; D164-N166 PolarHBondContact OD1-N 2.94Å; N166-P180 CarbonylContact O-C 3.58Å; N166-P180 VanDerWaalsContact O-CA 3.25Å; N166-P180 WeakPolarHBondContact O-CA 3.31Å; N166-T181 VanDerWaalsContact C-CG2 3.46Å; N166-T181 WeakPolarHBondContact CA-OG1 3.41Å; N166-T181 PolarHBondContact O-N 3.43Å; N166-T181 PolarHBondContact O-OG1 3.09Å
167W92.1Very high89.2Confident85 Ų8570.3 Ų70.332%0.32237%0.366SS..EExtended strand (participates in β ladder)trans-131.6133.6-175.9-67.690.4000115.2Y141 V163 D164 F178 F179 P180Y141-W167 WeakPolarHBondContact OH-CH2 3.11Å; Y141-W167 WeakPolarHBondContact OH-CZ3 3.35Å; V163-W167 HydrophobicContact CB-CB 4.17Å; V163-W167 PolarHBondContact N-O 3.08Å; D164-W167 PolarHBondContact N-O 2.94Å; D164-W167 PolarHBondContact OD1-N 2.89Å; W167-F178 HydrophobicContact CE3-CB 3.96Å; W167-F178 HydrophobicContact CZ3-CB 4.17Å; W167-F179 WeakPolarHBondContact CA-O 3.45Å; W167-P180 HydrophobicContact CH2-CG 4.34Å; W167-P180 HydrophobicContact CZ3-CG 4.3Å
168Y93.5Very high89.3Confident27 Ų2774.6 Ų74.611%0.10639%0.385CS..EExtended strand (participates in β ladder)trans-102.6149.2164.1-73.4-64.1000110.9L159 Q162 F178 F179 T181 V184 V186 L190L159-Y168 HydrophobicContact CD1-CE1 4.37Å; L159-Y168 HydrophobicContact CD2-CD1 4.16Å; L159-Y168 HydrophobicContact CD2-CD2 4.24Å; L159-Y168 HydrophobicContact CD2-CG 3.93Å; Q162-Y168 HydrophobicContact CB-CD1 3.87Å; Q162-Y168 HydrophobicContact CB-CE1 3.75Å; Q162-Y168 HydrophobicContact CG-CD1 3.98Å; Q162-Y168 HydrophobicContact CG-CE1 3.7Å; Y168-F178 CarbonylContact O-C 3.55Å; Y168-F178 WeakPolarHBondContact O-CA 3.26Å; Y168-F179 HydrophobicContact CD2-CE2 4.07Å; Y168-F179 HydrophobicContact CG-CE2 4.27Å; Y168-F179 HydrophobicContact CG-CZ 4.46Å; Y168-F179 PolarHBondContact N-O 3.03Å; Y168-F179 PolarHBondContact O-N 3.36Å; Y168-T181 HydrophobicContact CD2-CG2 3.46Å; Y168-T181 VanDerWaalsContact CD2-CG2 3.46Å; Y168-T181 HydrophobicContact CE2-CG2 3.35Å; Y168-T181 HydrophobicContact CG-CG2 4.12Å; Y168-V184 HydrophobicContact CD2-CG2 4.12Å; Y168-V184 HydrophobicContact CE2-CG2 4.3Å; Y168-V186 HydrophobicContact CE2-CG2 3.81Å; Y168-L190 HydrophobicContact CD1-CD1 4Å; Y168-L190 HydrophobicContact CE1-CD1 3.94Å
169H93.1Very high89.4Confident40 Ų4071.9 Ų71.919%0.18537%0.371CS..EExtended strand (participates in β ladder)trans-104.7128.6159.2-179.1-100.4000108.8R160 R161 V163 G177 F178R160-H169 WeakPolarHBondContact CB-O 3.49Å; R160-H169 PolarHBondContact N-O 2.89Å; R161-H169 PolarHBondContact N-O 3.19Å; R161-H169 PolarHBondContact O-N 2.86Å; R161-H169 VanDerWaalsContact O-O 3.07Å; V163-H169 HydrophobicContact CG2-CB 4.15Å; H169-G177 WeakPolarHBondContact CA-O 3.45Å; H169-G177 PolarHBondContact CD2-O 3.21Å; H169-F178 HydrophobicContact CB-CD1 3.81Å; H169-F178 HydrophobicContact CB-CE1 3.75Å; H169-F178 AromaticContact CD2-CD1 3.77Å; H169-F178 AromaticContact CD2-CE1 3.51Å; H169-F178 AromaticContact CD2-CZ 3.75Å; H169-F178 AromaticContact CG-CE1 3.89Å
170G93.1Very high89.4Confident0 Ų072.5 Ų72.50%038%0.375CS..EExtended strand (participates in β ladder)trans-152-172.9-176.300000113.3I158 H176 G177I158-G170 CarbonylContact O-C 3.55Å; I158-G170 WeakPolarHBondContact O-CA 3.3Å; G170-H176 VanDerWaalsContact O-CA 3.3Å; G170-H176 WeakPolarHBondContact O-CA 3.05Å; G170-G177 PolarHBondContact N-O 2.83Å; G170-G177 PolarHBondContact O-N 2.99Å
171E93.3Very high89.6Confident45 Ų4566.5 Ų66.521%0.2136%0.356CS..EExtended strand (participates in β ladder)trans-142.1136.3-170.9-175.2-176.2148.500111I158 R160 V175I158-E171 HydrophobicContact CB-CB 4.49Å; I158-E171 PolarHBondContact N-O 2.92Å; I158-E171 PolarHBondContact O-N 3.03Å; R160-E171 HydrophobicContact CG-CB 4.31Å; R160-E171 IonicContact CZ-OE2 3.12Å; R160-E171 IonicContact NE-OE2 2.77Å; R160-E171 PolarHBondContact NE-OE2 3.31Å; R160-E171 IonicContact NH2-OE1 3.98Å; R160-E171 IonicContact NH2-OE2 2.65Å; R160-E171 PolarHBondContact NH2-OE2 3.43Å; E171-V175 CarbonylContact C-O 3.5Å; E171-V175 VanDerWaalsContact CA-O 3.26Å; E171-V175 WeakPolarHBondContact CA-O 3.45Å; E171-V175 WeakPolarHBondContact CG-O 3.15Å
172M89Confident89.9Confident45 Ų4563.2 Ų63.222%0.22235%0.352CS..EExtended strand (participates in β ladder)trans-145.8126.5177.3-170.9-173.672.200109.2L149 K150 F151 D155 I157 G174 V175L149-M172 HydrophobicContact CD1-CB 4.23Å; L149-M172 HydrophobicContact CD2-CB 4.08Å; L149-M172 HydrophobicContact CG-CB 4.48Å; K150-M172 WeakPolarHBondContact O-CE 3.49Å; F151-M172 HydrophobicContact CB-CE 3.69Å; F151-M172 HydrophobicContact CB-SD 3.74Å; D155-M172 HydrophobicContact CB-SD 3.63Å; I157-M172 HydrophobicContact CG1-CB 4.45Å; I157-M172 HydrophobicContact CG1-SD 4.21Å; M172-G174 PolarHBondContact O-N 3.04Å; M172-G174 VanDerWaalsContact O-N 3.13Å; M172-V175 PolarHBondContact N-O 2.92Å; M172-V175 PolarHBondContact O-N 2.97Å
173G81.3Confident90.2Very high89 Ų8962.2 Ų62.292%0.91835%0.347SS*.THydrogen-bonded Turntrans61.917.8-178.700000115.3V175G173-V175 VanDerWaalsContact C-N 3.3Å
174G83.3Confident90.5Very high53 Ų5359.1 Ų59.155%0.54633%0.328SS..THydrogen-bonded Turntrans85.6-7.2-173.200000114.7M172M172-G174 PolarHBondContact O-N 3.04Å; M172-G174 VanDerWaalsContact O-N 3.13Å
175V89Confident90.9Very high91 Ų9161.4 Ų61.455%0.55234%0.336SS*.EExtended strand (participates in β ladder)trans-81.7136.1166.8-176.10000108.2L149 E171 M172 G173L149-V175 HydrophobicContact CD1-CB 4.14Å; L149-V175 HydrophobicContact CD1-CG1 3.96Å; L149-V175 WeakPolarHBondContact CD1-O 3.28Å; E171-V175 CarbonylContact C-O 3.5Å; E171-V175 VanDerWaalsContact CA-O 3.26Å; E171-V175 WeakPolarHBondContact CA-O 3.45Å; E171-V175 WeakPolarHBondContact CG-O 3.15Å; M172-V175 PolarHBondContact N-O 2.92Å; M172-V175 PolarHBondContact O-N 2.97Å; G173-V175 VanDerWaalsContact C-N 3.3Å
176H92.1Very high91.4Very high132 Ų13256.9 Ų56.961%0.61132%0.318SS*.EExtended strand (participates in β ladder)trans-113.1154.1174.857.5-88.7000110.5G170G170-H176 VanDerWaalsContact O-CA 3.3Å; G170-H176 WeakPolarHBondContact O-CA 3.05Å
177G93.3Very high91.4Very high2 Ų256.5 Ų56.52%0.02132%0.315CS..EExtended strand (participates in β ladder)trans172.3-178.9176.500000114.1G147 H169 G170G147-G177 CarbonylContact O-C 3.53Å; G147-G177 WeakPolarHBondContact O-CA 3.44Å; H169-G177 WeakPolarHBondContact CA-O 3.45Å; H169-G177 PolarHBondContact CD2-O 3.21Å; G170-G177 PolarHBondContact N-O 2.83Å; G170-G177 PolarHBondContact O-N 2.99Å
178F94.9Very high90.9Very high91 Ų9155.9 Ų55.940%0.39932%0.315SS..EExtended strand (participates in β ladder)trans-93.5151-179.1-56.3-77.5000112G147 D148 L149 V163 W167 Y168 H169G147-F178 WeakPolarHBondContact O-CD2 3.45Å; G147-F178 PolarHBondContact O-N 3.39Å; D148-F178 CarbonylContact C-O 3.56Å; D148-F178 VanDerWaalsContact CA-O 3.26Å; D148-F178 WeakPolarHBondContact CA-O 3.25Å; L149-F178 PolarHBondContact N-O 3.42Å; V163-F178 HydrophobicContact CG2-CD1 3.8Å; V163-F178 HydrophobicContact CG2-CE1 3.79Å; W167-F178 HydrophobicContact CE3-CB 3.96Å; W167-F178 HydrophobicContact CZ3-CB 4.17Å; Y168-F178 CarbonylContact O-C 3.55Å; Y168-F178 WeakPolarHBondContact O-CA 3.26Å; H169-F178 HydrophobicContact CB-CD1 3.81Å; H169-F178 HydrophobicContact CB-CE1 3.75Å; H169-F178 AromaticContact CD2-CD1 3.77Å; H169-F178 AromaticContact CD2-CE1 3.51Å; H169-F178 AromaticContact CD2-CZ 3.75Å; H169-F178 AromaticContact CG-CE1 3.89Å
179F94.6Very high90.5Very high0 Ų058.7 Ų58.70%034%0.337CS..EExtended strand (participates in β ladder)trans-160.8157.8172.555.3-86.6000113Y141 L149 F151 I157 L159 W167 Y168 V184Y141-F179 HydrophobicContact CD1-CB 3.93Å; Y141-F179 HydrophobicContact CE1-CB 3.78Å; L149-F179 HydrophobicContact CB-CD1 3.97Å; L149-F179 HydrophobicContact CD2-CD1 3.94Å; L149-F179 HydrophobicContact CD2-CE1 3.86Å; F151-F179 HydrophobicContact CE1-CB 3.55Å; F151-F179 HydrophobicContact CE1-CD1 4.24Å; F151-F179 AromaticContact CE1-CD2 3.97Å; F151-F179 HydrophobicContact CE1-CD2 3.97Å; F151-F179 AromaticContact CE1-CG 3.67Å; F151-F179 HydrophobicContact CE1-CG 3.67Å; F151-F179 HydrophobicContact CZ-CB 4.11Å; F151-F179 HydrophobicContact CZ-CD2 4.21Å; F151-F179 HydrophobicContact CZ-CG 4.29Å; I157-F179 HydrophobicContact CB-CZ 4.38Å; I157-F179 HydrophobicContact CD1-CE2 4.3Å; I157-F179 HydrophobicContact CD1-CZ 4.3Å; I157-F179 HydrophobicContact CG2-CE1 3.61Å; I157-F179 HydrophobicContact CG2-CZ 3.57Å; L159-F179 HydrophobicContact CD2-CE2 4.3Å; L159-F179 HydrophobicContact CD2-CZ 3.76Å; W167-F179 WeakPolarHBondContact CA-O 3.45Å; Y168-F179 HydrophobicContact CD2-CE2 4.07Å; Y168-F179 HydrophobicContact CG-CE2 4.27Å; Y168-F179 HydrophobicContact CG-CZ 4.46Å; Y168-F179 PolarHBondContact N-O 3.03Å; Y168-F179 PolarHBondContact O-N 3.36Å; F179-V184 HydrophobicContact CD2-CG1 3.75Å; F179-V184 HydrophobicContact CD2-CG2 4.39Å; F179-V184 HydrophobicContact CE2-CB 4.39Å; F179-V184 HydrophobicContact CE2-CG1 3.63Å; F179-V184 HydrophobicContact CE2-CG2 3.9Å
180P93.1Very high90Very high16 Ų1658.2 Ų58.210%0.10434%0.335CS..EExtended strand (participates in β ladder)trans-69.2140.9-177.5-20.833.5000113.8Y141 N166 W167 N182 F183Y141-P180 HydrophobicContact CE2-CG 3.99Å; Y141-P180 VanDerWaalsContact CZ-CD 3.47Å; N166-P180 CarbonylContact O-C 3.58Å; N166-P180 VanDerWaalsContact O-CA 3.25Å; N166-P180 WeakPolarHBondContact O-CA 3.31Å; W167-P180 HydrophobicContact CH2-CG 4.34Å; W167-P180 HydrophobicContact CZ3-CG 4.3Å; P180-N182 VanDerWaalsContact C-N 3.27Å; P180-N182 WeakPolarHBondContact CB-OD1 3.23Å; P180-N182 PolarHBondContact O-N 3.05Å; P180-F183 HydrophobicContact CB-CB 4.43Å; P180-F183 HydrophobicContact CB-CD2 3.83Å; P180-F183 HydrophobicContact CB-CG 4.45Å; P180-F183 HydrophobicContact CG-CD2 3.99Å; P180-F183 HydrophobicContact CG-CE2 4.49Å; P180-F183 HydrophobicContact CG-CG 4.48Å; P180-F183 PolarHBondContact O-N 3.14Å
181T91.9Very high89.2Confident30 Ų3063.6 Ų63.618%0.18437%0.37CS..G310 helixtrans-62.8-32.1177.956.10000112.5E165 N166 Y168 V184E165-T181 WeakPolarHBondContact O-CG2 3.23Å; E165-T181 PolarHBondContact O-OG1 3.06Å; N166-T181 VanDerWaalsContact C-CG2 3.46Å; N166-T181 WeakPolarHBondContact CA-OG1 3.41Å; N166-T181 PolarHBondContact O-N 3.43Å; N166-T181 PolarHBondContact O-OG1 3.09Å; Y168-T181 HydrophobicContact CD2-CG2 3.46Å; Y168-T181 VanDerWaalsContact CD2-CG2 3.46Å; Y168-T181 HydrophobicContact CE2-CG2 3.35Å; Y168-T181 HydrophobicContact CG-CG2 4.12Å; T181-V184 WeakPolarHBondContact O-CG2 3.41Å; T181-V184 VanDerWaalsContact O-O 3.12Å
182N93.9Very high88.2Confident108 Ų10867.7 Ų67.758%0.57839%0.389SS*.G310 helixtrans-79.1-11.2178.368.2-35.2000114.8P180 V184P180-N182 VanDerWaalsContact C-N 3.27Å; P180-N182 WeakPolarHBondContact CB-OD1 3.23Å; P180-N182 PolarHBondContact O-N 3.05Å; N182-V184 VanDerWaalsContact C-N 3.29Å
183F93Very high87.7Confident60 Ų6068.8 Ų68.826%0.26340%0.399SS..G310 helixtrans-83.3-7.5174.6-87.4-112.6000112.9L138 N140 Y141 F151 P180L138-F183 PolarHBondContact N-O 2.78Å; N140-F183 WeakPolarHBondContact O-CD1 3.46Å; N140-F183 WeakPolarHBondContact O-CE1 3.5Å; Y141-F183 HydrophobicContact CD2-CD1 4Å; Y141-F183 HydrophobicContact CD2-CE1 4.03Å; Y141-F183 HydrophobicContact CD2-CG 4.48Å; Y141-F183 HydrophobicContact CG-CD1 4.26Å; F151-F183 HydrophobicContact CE2-CB 4.4Å; F151-F183 HydrophobicContact CZ-CB 4.13Å; P180-F183 HydrophobicContact CB-CB 4.43Å; P180-F183 HydrophobicContact CB-CD2 3.83Å; P180-F183 HydrophobicContact CB-CG 4.45Å; P180-F183 HydrophobicContact CG-CD2 3.99Å; P180-F183 HydrophobicContact CG-CE2 4.49Å; P180-F183 HydrophobicContact CG-CG 4.48Å; P180-F183 PolarHBondContact O-N 3.14Å
184V93.3Very high87.9Confident10 Ų1068 Ų686%0.06138%0.378CS..EExtended strand (participates in β ladder)trans-130.7154.7-175.7-56.40000112.6A135 K136 F151 I157 Y168 F179 T181 N182A135-V184 HydrophobicContact CB-CB 3.83Å; A135-V184 HydrophobicContact CB-CG2 3.77Å; K136-V184 CarbonylContact O-C 3.59Å; K136-V184 VanDerWaalsContact O-CA 3.29Å; K136-V184 WeakPolarHBondContact O-CA 3.29Å; F151-V184 HydrophobicContact CE2-CG1 4.26Å; F151-V184 HydrophobicContact CZ-CG1 3.83Å; I157-V184 HydrophobicContact CD1-CG1 3.8Å; Y168-V184 HydrophobicContact CD2-CG2 4.12Å; Y168-V184 HydrophobicContact CE2-CG2 4.3Å; F179-V184 HydrophobicContact CD2-CG1 3.75Å; F179-V184 HydrophobicContact CD2-CG2 4.39Å; F179-V184 HydrophobicContact CE2-CB 4.39Å; F179-V184 HydrophobicContact CE2-CG1 3.63Å; F179-V184 HydrophobicContact CE2-CG2 3.9Å; T181-V184 WeakPolarHBondContact O-CG2 3.41Å; T181-V184 VanDerWaalsContact O-O 3.12Å; N182-V184 VanDerWaalsContact C-N 3.29Å
185Q92.2Very high88.3Confident115 Ų11567.2 Ų67.254%0.53736%0.364SS..EExtended strand (participates in β ladder)trans-104.6115165.2-175.9174.830.900108.7A135 K136 L138 I187A135-Q185 CarbonylContact C-O 3.5Å; A135-Q185 VanDerWaalsContact CA-O 3.25Å; A135-Q185 WeakPolarHBondContact CA-O 3.25Å; A135-Q185 WeakPolarHBondContact CB-O 3.46Å; K136-Q185 PolarHBondContact N-O 3.18Å; K136-Q185 PolarHBondContact O-N 2.73Å; L138-Q185 HydrophobicContact CD1-CB 4.07Å; L138-Q185 HydrophobicContact CD2-CB 3.9Å; L138-Q185 HydrophobicContact CG-CB 3.93Å; Q185-I187 PolarHBondContact O-N 3.02Å; Q185-I187 VanDerWaalsContact O-N 3.14Å
186V90.7Very high88.6Confident50 Ų5066 Ų6630%0.30335%0.352SS..EExtended strand (participates in β ladder)trans-64.4112.7175.1178.50000109.4A135 L159 Y168 P189A135-V186 HydrophobicContact CB-CG2 4.4Å; L159-V186 HydrophobicContact CD1-CG1 4.1Å; L159-V186 HydrophobicContact CD1-CG2 4.28Å; Y168-V186 HydrophobicContact CE2-CG2 3.81Å; V186-P189 VanDerWaalsContact CG1-CA 3.41Å; V186-P189 HydrophobicContact CG1-CB 3.92Å
187I88.7Confident88.8Confident98 Ų9859.8 Ų59.850%0.50332%0.323SS..EExtended strand (participates in β ladder)trans-82.4-48.4175.4-69.2172.4000109.2C134 K136 I156 Q185C134-I187 PolarHBondContact O-N 2.97Å; K136-I187 HydrophobicContact CB-CD1 3.69Å; K136-I187 HydrophobicContact CB-CG1 4.22Å; I156-I187 HydrophobicContact CD1-CD1 3.97Å; Q185-I187 PolarHBondContact O-N 3.02Å; Q185-I187 VanDerWaalsContact O-N 3.14Å
188K82.8Confident88.9Confident72 Ų7263.6 Ų63.631%0.31334%0.339SS..EExtended strand (participates in β ladder)trans-126.2110.6175.3-171.6168.9-172.5177.10108.8Q131 P133 C134Q131-K188 HydrophobicContact CB-CD 4.18Å; Q131-K188 WeakPolarHBondContact O-CD 3.45Å; Q131-K188 WeakPolarHBondContact O-CE 3.22Å; Q131-K188 PolarHBondContact O-NZ 3.2Å; P133-K188 CarbonylContact C-O 3.52Å; P133-K188 WeakPolarHBondContact CA-O 3.29Å; C134-K188 PolarHBondContact N-O 3.27Å; C134-K188 PolarHBondContact O-N 3.24Å
189P83.4Confident89Confident86 Ų8659.2 Ų59.256%0.55832%0.32SS*.  trans-63.4154.9-179.526.3-34000111.5V186V186-P189 VanDerWaalsContact CG1-CA 3.41Å; V186-P189 HydrophobicContact CG1-CB 3.92Å
190L82.6Confident89.1Confident30 Ų3062.2 Ų62.216%0.15734%0.336CS..  trans-57.8145.1164.7-71.7157.1000109.1P133 L159 R161 Q162 Y168 Q192P133-L190 HydrophobicContact CB-CD2 3.84Å; P133-L190 HydrophobicContact CB-CG 4.11Å; P133-L190 HydrophobicContact CG-CD2 4.08Å; L159-L190 HydrophobicContact CB-CD1 4.15Å; L159-L190 HydrophobicContact CB-CD2 3.85Å; L159-L190 HydrophobicContact CB-CG 3.81Å; L159-L190 HydrophobicContact CD1-CD1 4.49Å; L159-L190 HydrophobicContact CD1-CG 4.24Å; R161-L190 VanDerWaalsContact C-CD1 3.45Å; Q162-L190 HydrophobicContact CB-CD1 3.84Å; Y168-L190 HydrophobicContact CD1-CD1 4Å; Y168-L190 HydrophobicContact CE1-CD1 3.94Å; L190-Q192 PolarHBondContact O-N 3.09Å
191P76.5Confident89.2Confident112 Ų11267.9 Ų67.973%0.72736%0.356SS*.  trans-60.8107.8168.6-17.631.1000108.2
192Q72.6Confident89.4Confident132 Ų13271.1 Ų71.162%0.61737%0.372SS*.PPolyproline II helixtrans-62.2145.1168.8-73.1-179.2-31.400108.6L190L190-Q192 PolarHBondContact O-N 3.09Å
193P78.7Confident89.3Confident67 Ų6766.9 Ų66.944%0.43535%0.349SS..PPolyproline II helixtrans-58.9144.5170.727.6-34.1000108.9A255P193-A255 HydrophobicContact CG-CB 4.3Å; P193-A255 VanDerWaalsContact O-CB 3.29Å; P193-A255 WeakPolarHBondContact O-CB 3.2Å
194P86Confident89Confident73 Ų7370.5 Ų70.547%0.47437%0.367SS..PPolyproline II helixtrans-52.8142.5174.6-25.734.9000110.7Q196 N253P194-Q196 HydrophobicContact CB-CG 4.15Å; P194-Q196 PolarHBondContact O-N 2.06Å; P194-N253 PolarHBondContact O-ND2 3.29Å
195P92.2Very high88.5Confident37 Ų3772.7 Ų72.724%0.2438%0.378CS..  trans-63.3106.7175.127.5-33.9000108.1T224 V225 A255 A256 L259P195-T224 CarbonylContact O-C 3.58Å; P195-T224 WeakPolarHBondContact O-CA 3.45Å; P195-T224 WeakPolarHBondContact O-CG2 3.43Å; P195-V225 HydrophobicContact CB-CB 4.42Å; P195-V225 WeakPolarHBondContact CG-O 3.19Å; P195-V225 PolarHBondContact O-N 2.97Å; P195-A255 HydrophobicContact CB-CB 4.46Å; P195-A256 HydrophobicContact CB-CB 4.04Å; P195-L259 HydrophobicContact CB-CD1 3.67Å; P195-L259 HydrophobicContact CG-CD1 3.81Å
196Q94.8Very high87.5Confident64 Ų6475.7 Ų75.730%0.29939%0.389SS..EExtended strand (participates in β ladder)trans-133.2148.1-174.5-75.1177.5-32.600110.7P194 I222 L223 N253P194-Q196 HydrophobicContact CB-CG 4.15Å; P194-Q196 PolarHBondContact O-N 2.06Å; Q196-I222 HydrophobicContact CB-CG2 4.11Å; Q196-I222 HydrophobicContact CG-CG2 4.2Å; Q196-L223 CarbonylContact C-O 3.55Å; Q196-L223 WeakPolarHBondContact CA-O 3.32Å; Q196-N253 PolarHBondContact N-ND2 2.87Å; Q196-N253 PolarHBondContact N-OD1 2.89Å; Q196-N253 WeakPolarHBondContact O-CB 3.36Å; Q196-N253 PolarHBondContact O-N 3.14Å; Q196-N253 PolarHBondContact O-OD1 3.34Å
197C95.7Very high86.7Confident3 Ų379.3 Ų79.32%0.0241%0.406CS..EExtended strand (participates in β ladder)trans-124153.7168.7650000110.5I222 L223 V225 V250 E251 F252C197-I222 WeakPolarHBondContact O-CA 3.19Å; C197-L223 PolarHBondContact N-O 2.93Å; C197-L223 PolarHBondContact O-N 2.94Å; C197-V225 HydrophobicContact CB-CG2 4.06Å; C197-V250 HydrophobicContact CB-CB 3.86Å; C197-V250 HydrophobicContact CB-CG2 3.77Å; C197-E251 CarbonylContact C-O 3.4Å; C197-E251 WeakPolarHBondContact CA-O 3.36Å; C197-E251 WeakPolarHBondContact CB-O 3.2Å; C197-F252 HydrophobicContact CB-CD1 3.47Å; C197-F252 VanDerWaalsContact CB-CD1 3.47Å; C197-F252 HydrophobicContact CB-CE1 3.7Å; C197-F252 HydrophobicContact CB-CG 4.2Å
198K96.5Very high85.4Confident81 Ų8183.2 Ų83.235%0.35242%0.42SS..EExtended strand (participates in β ladder)trans-107.3129.1175.6180177.8178-163.90109.6L200 D220 D221 I222 V250 E251K198-L200 PolarHBondContact O-N 3.05Å; K198-D220 WeakPolarHBondContact CE-OD1 3.44Å; K198-D220 IonicContact NZ-OD1 3.12Å; K198-D220 PolarHBondContact NZ-OD1 3.26Å; K198-D221 CarbonylContact C-O 3.55Å; K198-D221 WeakPolarHBondContact CA-O 3.32Å; K198-I222 HydrophobicContact CB-CD1 3.79Å; K198-I222 HydrophobicContact CD-CD1 4.2Å; K198-I222 HydrophobicContact CG-CD1 3.77Å; K198-V250 CarbonylContact O-C 3.59Å; K198-V250 VanDerWaalsContact O-CA 3.25Å; K198-V250 WeakPolarHBondContact O-CA 3.23Å; K198-E251 PolarHBondContact N-O 2.83Å; K198-E251 PolarHBondContact O-N 2.91Å
199A96.8Very high84.6Confident0 Ų086.8 Ų86.80%044%0.438CS..EExtended strand (participates in β ladder)trans-62.7127.7175.100000112.1F217 C218 D220 D221 L223A199-F217 HydrophobicContact CB-CD2 3.4Å; A199-F217 HydrophobicContact CB-CE2 3.62Å; A199-F217 HydrophobicContact CB-CG 4.5Å; A199-C218 WeakPolarHBondContact CB-O 3.39Å; A199-D220 WeakPolarHBondContact O-CA 3.4Å; A199-D220 PolarHBondContact O-N 2.98Å; A199-D221 HydrophobicContact CB-CB 4.28Å; A199-D221 PolarHBondContact N-O 2.86Å; A199-L223 HydrophobicContact CB-CD1 4.23Å
200L96.6Very high83.5Confident62 Ų6284.9 Ų84.933%0.32543%0.429SS..SBendtrans-92.2-25.2174.9-64.3177.8000112.2K198 K219 Y249 E251K198-L200 PolarHBondContact O-N 3.05Å; L200-K219 VanDerWaalsContact O-CD 3.29Å; L200-K219 WeakPolarHBondContact O-CD 3.39Å; L200-K219 VanDerWaalsContact O-CE 3.3Å; L200-K219 WeakPolarHBondContact O-CE 3.14Å; L200-K219 WeakPolarHBondContact O-CG 3.43Å; L200-Y249 PolarHBondContact N-O 3Å; L200-E251 HydrophobicContact CD1-CB 4.21Å; L200-E251 HydrophobicContact CD2-CB 3.99Å; L200-E251 HydrophobicContact CG-CB 4.15Å
201Y95.4Very high82.8Confident135 Ų13587.7 Ų87.753%0.52945%0.445SS..SBendtrans-141.8163.9179.8-47.4-76.5000110.1F217 Y249Y201-F217 WeakPolarHBondContact O-CE2 3.35Å; Y201-Y249 HydrophobicContact CD2-CD1 4.33Å; Y201-Y249 HydrophobicContact CD2-CG 4.28Å
202D94.2Very high82.7Confident98 Ų9889.2 Ų89.252%0.52444%0.44SS..  trans-74.3143.8171.5-42-62.2000110.4K219D202-K219 VanDerWaalsContact OD1-CB 3.29Å; D202-K219 WeakPolarHBondContact OD1-CB 3.32Å; D202-K219 PolarHBondContact OD1-N 3.42Å
203F92.6Very high83.2Confident20 Ų2088.1 Ų88.19%0.08844%0.438CS..BIsolated β-bridgetrans-131.5108.7175178.8-112.2000109.9L205 C214 L215 P216 F217 W233 P246 Y249F203-L205 HydrophobicContact CE2-CD2 4.25Å; F203-L205 HydrophobicContact CZ-CD2 4.08Å; F203-L205 HydrophobicContact CZ-CG 4.36Å; F203-C214 HydrophobicContact CE1-CB 4.25Å; F203-C214 HydrophobicContact CZ-CB 4.49Å; F203-L215 VanDerWaalsContact CD1-O 3.29Å; F203-L215 WeakPolarHBondContact CD1-O 3.34Å; F203-P216 VanDerWaalsContact O-CA 3.23Å; F203-P216 WeakPolarHBondContact O-CA 3.31Å; F203-P216 WeakPolarHBondContact O-CB 3.39Å; F203-F217 HydrophobicContact CB-CD1 3.98Å; F203-F217 HydrophobicContact CB-CD2 4.22Å; F203-F217 HydrophobicContact CB-CE1 3.47Å; F203-F217 VanDerWaalsContact CB-CE1 3.47Å; F203-F217 HydrophobicContact CB-CE2 3.8Å; F203-F217 HydrophobicContact CB-CG 4.32Å; F203-F217 HydrophobicContact CB-CZ 3.4Å; F203-F217 HydrophobicContact CD1-CD1 4.04Å; F203-F217 AromaticContact CD1-CE1 3.55Å; F203-F217 HydrophobicContact CD1-CE1 3.55Å; F203-F217 HydrophobicContact CD1-CZ 4.25Å; F203-F217 HydrophobicContact CG-CD1 4.48Å; F203-F217 AromaticContact CG-CE1 3.81Å; F203-F217 HydrophobicContact CG-CE1 3.81Å; F203-F217 HydrophobicContact CG-CZ 4.05Å; F203-F217 PolarHBondContact N-O 2.95Å; F203-F217 PolarHBondContact O-N 3.31Å; F203-F217 VanDerWaalsContact O-N 3.08Å; F203-W233 HydrophobicContact CE2-CH2 4.31Å; F203-W233 AromaticContact CZ-CH2 3.92Å; F203-W233 HydrophobicContact CZ-CH2 3.92Å; F203-W233 AromaticContact CZ-CZ3 3.86Å; F203-W233 HydrophobicContact CZ-CZ3 3.86Å; F203-P246 HydrophobicContact CD2-CG 4.02Å; F203-P246 HydrophobicContact CE2-CG 3.75Å; F203-P246 HydrophobicContact CZ-CG 4.22Å; F203-Y249 HydrophobicContact CB-CD1 4.26Å
204E87.4Confident83.8Confident136 Ų13686 Ų8664%0.63642%0.424SS*.  trans-126.8137.2178-62.1-179.1154.300109.5
205L82.8Confident84.1Confident56 Ų5682.6 Ų82.629%0.29340%0.402SS..  trans-95.9146.7167.2-66.2-173.1000111.5F203 A210 C214F203-L205 HydrophobicContact CE2-CD2 4.25Å; F203-L205 HydrophobicContact CZ-CD2 4.08Å; F203-L205 HydrophobicContact CZ-CG 4.36Å; L205-A210 HydrophobicContact CD1-CB 3.88Å; L205-A210 WeakPolarHBondContact CD1-O 3.31Å; L205-C214 HydrophobicContact CD1-CB 3.5Å; L205-C214 HydrophobicContact CG-CB 4.39Å
206K71.2Confident84.2Confident177 Ų17783.1 Ų83.177%0.7741%0.406SS*.  trans-115.2-13.3-179.8-70.6171.1-178.7164.60112.9
207D72.5Confident84.2Confident126 Ų12680.5 Ų80.567%0.67439%0.393SS*.  trans-99.7112.4177.7-67.6-57.9000110.6E209 A210D207-E209 PolarHBondContact O-N 3.23Å; D207-A210 PolarHBondContact O-N 3.04Å
208K63.1Low84.2Confident181 Ų18183.9 Ų83.979%0.78742%0.416SS*.THydrogen-bonded Turntrans-61.8-15.1-171.4-62.5-176176.6-175.20115.3
209E65.7Low84.1Confident146 Ų14684.6 Ų84.668%0.68242%0.419SS*.THydrogen-bonded Turntrans-85.2-24.1178.3-121.855-118.400113.1D207 K212D207-E209 PolarHBondContact O-N 3.23Å; E209-K212 IonicContact OE1-NZ 2.69Å; E209-K212 PolarHBondContact OE1-NZ 3.02Å
210A60.7Low84.1Confident47 Ų4788.3 Ų88.339%0.38844%0.439SS..THydrogen-bonded Turntrans-93.6-15178.800000113.4L205 D207 K212L205-A210 HydrophobicContact CD1-CB 3.88Å; L205-A210 WeakPolarHBondContact CD1-O 3.31Å; D207-A210 PolarHBondContact O-N 3.04Å; A210-K212 PolarHBondContact O-N 3.35Å
211D67.2Low84.1Confident89 Ų8987.9 Ų87.948%0.47644%0.437SS..THydrogen-bonded Turntrans-68.41.8-178.1-159.846.5000114.7
212K73.2Confident84.1Confident144 Ų14485.5 Ų85.563%0.62643%0.433SS*.THydrogen-bonded Turntrans-85.7-40.4-174.8-67.6174.3-171.71560113.5E209 A210E209-K212 IonicContact OE1-NZ 2.69Å; E209-K212 PolarHBondContact OE1-NZ 3.02Å; A210-K212 PolarHBondContact O-N 3.35Å
213D85Confident84.2Confident109 Ų10980.9 Ų80.958%0.58341%0.408SS*.THydrogen-bonded Turntrans-107.9-12.9-172.7-52.3-40.2000112.8G243 I244D213-G243 CarbonylContact O-C 3.49Å; D213-G243 VanDerWaalsContact O-CA 3.23Å; D213-G243 WeakPolarHBondContact O-CA 3.47Å; D213-I244 PolarHBondContact O-N 3.28Å
214C90.1Very high84.4Confident21 Ų2181.9 Ų81.914%0.14242%0.416CS..BIsolated β-bridgetrans-93.4144.5-175-61.90000111.8F203 L205 P216 I244F203-C214 HydrophobicContact CE1-CB 4.25Å; F203-C214 HydrophobicContact CZ-CB 4.49Å; L205-C214 HydrophobicContact CD1-CB 3.5Å; L205-C214 HydrophobicContact CG-CB 4.39Å; C214-P216 VanDerWaalsContact O-CD 3.25Å; C214-P216 WeakPolarHBondContact O-CD 3.43Å; C214-I244 WeakPolarHBondContact CA-O 3.42Å; C214-I244 HydrophobicContact CB-CG1 4.4Å
215L93.2Very high84.8Confident3 Ų375.5 Ų75.52%0.01639%0.386CS..  trans-100.8104.1179.2-176.858.3000110.3F203 F217 L223 G236 L238 K241 I244 F245F203-L215 VanDerWaalsContact CD1-O 3.29Å; F203-L215 WeakPolarHBondContact CD1-O 3.34Å; L215-F217 VanDerWaalsContact O-CD1 3.23Å; L215-F217 WeakPolarHBondContact O-CD1 3.49Å; L215-L223 HydrophobicContact CD2-CD2 3.84Å; L215-L223 HydrophobicContact CG-CD2 4.36Å; L215-G236 WeakPolarHBondContact CD2-O 3.4Å; L215-L238 HydrophobicContact CD1-CB 4.18Å; L215-L238 HydrophobicContact CD2-CB 4.06Å; L215-L238 HydrophobicContact CG-CB 4.34Å; L215-K241 HydrophobicContact CD1-CB 3.64Å; L215-K241 WeakPolarHBondContact CD1-O 3.23Å; L215-I244 PolarHBondContact N-O 3.33Å; L215-F245 HydrophobicContact CD2-CD1 4.3Å
216P92.8Very high85.3Confident48 Ų4876.2 Ų76.231%0.31239%0.389SS..  trans-75144.817530.3-35000111.9F203 C214F203-P216 VanDerWaalsContact O-CA 3.23Å; F203-P216 WeakPolarHBondContact O-CA 3.31Å; F203-P216 WeakPolarHBondContact O-CB 3.39Å; C214-P216 VanDerWaalsContact O-CD 3.25Å; C214-P216 WeakPolarHBondContact O-CD 3.43Å
217F94.9Very high86.4Confident8 Ų869.6 Ų69.64%0.03536%0.36CS..BIsolated β-bridgetrans-153.8158-178.856.2-90.9000112A199 Y201 F203 L215 D221 L223 L238 F245 V250A199-F217 HydrophobicContact CB-CD2 3.4Å; A199-F217 HydrophobicContact CB-CE2 3.62Å; A199-F217 HydrophobicContact CB-CG 4.5Å; Y201-F217 WeakPolarHBondContact O-CE2 3.35Å; F203-F217 HydrophobicContact CB-CD1 3.98Å; F203-F217 HydrophobicContact CB-CD2 4.22Å; F203-F217 HydrophobicContact CB-CE1 3.47Å; F203-F217 VanDerWaalsContact CB-CE1 3.47Å; F203-F217 HydrophobicContact CB-CE2 3.8Å; F203-F217 HydrophobicContact CB-CG 4.32Å; F203-F217 HydrophobicContact CB-CZ 3.4Å; F203-F217 HydrophobicContact CD1-CD1 4.04Å; F203-F217 AromaticContact CD1-CE1 3.55Å; F203-F217 HydrophobicContact CD1-CE1 3.55Å; F203-F217 HydrophobicContact CD1-CZ 4.25Å; F203-F217 HydrophobicContact CG-CD1 4.48Å; F203-F217 AromaticContact CG-CE1 3.81Å; F203-F217 HydrophobicContact CG-CE1 3.81Å; F203-F217 HydrophobicContact CG-CZ 4.05Å; F203-F217 PolarHBondContact N-O 2.95Å; F203-F217 PolarHBondContact O-N 3.31Å; F203-F217 VanDerWaalsContact O-N 3.08Å; L215-F217 VanDerWaalsContact O-CD1 3.23Å; L215-F217 WeakPolarHBondContact O-CD1 3.49Å; F217-D221 HydrophobicContact CB-CB 4.39Å; F217-L223 HydrophobicContact CB-CD1 4.44Å; F217-L223 HydrophobicContact CB-CD2 4.21Å; F217-L223 HydrophobicContact CD1-CD2 3.69Å; F217-L223 HydrophobicContact CD2-CD1 4.36Å; F217-L223 HydrophobicContact CE1-CD2 4.29Å; F217-L223 HydrophobicContact CG-CD1 4.22Å; F217-L223 HydrophobicContact CG-CD2 4.01Å; F217-L238 HydrophobicContact CB-CD2 3.61Å; F217-F245 HydrophobicContact CD1-CB 4.4Å; F217-F245 HydrophobicContact CE1-CB 3.52Å; F217-F245 HydrophobicContact CE1-CG 4.24Å; F217-F245 HydrophobicContact CZ-CB 4.25Å; F217-V250 HydrophobicContact CE2-CG1 4.18Å; F217-V250 HydrophobicContact CZ-CG1 4.01Å
218C96.3Very high87.3Confident74 Ų7465.7 Ų65.750%0.534%0.336SS..  trans-92.1158.2172.1-66.40000111A199 D221A199-C218 WeakPolarHBondContact CB-O 3.39Å; C218-D221 PolarHBondContact N-OD2 3.4Å; C218-D221 VanDerWaalsContact O-CB 3.28Å; C218-D221 WeakPolarHBondContact O-CB 3.48Å; C218-D221 PolarHBondContact O-N 2.92Å
219K95.2Very high88.8Confident97 Ų9759.9 Ų59.942%0.42232%0.315SS..THydrogen-bonded Turntrans-55.4143.8168.6178.7178.9178.3-63.30111L200 D202 D221L200-K219 VanDerWaalsContact O-CD 3.29Å; L200-K219 WeakPolarHBondContact O-CD 3.39Å; L200-K219 VanDerWaalsContact O-CE 3.3Å; L200-K219 WeakPolarHBondContact O-CE 3.14Å; L200-K219 WeakPolarHBondContact O-CG 3.43Å; D202-K219 VanDerWaalsContact OD1-CB 3.29Å; D202-K219 WeakPolarHBondContact OD1-CB 3.32Å; D202-K219 PolarHBondContact OD1-N 3.42Å; K219-D221 PolarHBondContact O-N 3Å
220D95.7Very high90Very high78 Ų7856.4 Ų56.442%0.41730%0.301SS..THydrogen-bonded Turntrans69.5-2.3-175.2-55.3-68.9000116.4K198 A199K198-D220 WeakPolarHBondContact CE-OD1 3.44Å; K198-D220 IonicContact NZ-OD1 3.12Å; K198-D220 PolarHBondContact NZ-OD1 3.26Å; A199-D220 WeakPolarHBondContact O-CA 3.4Å; A199-D220 PolarHBondContact O-N 2.98Å
221D96.9Very high91.4Very high53 Ų5359.9 Ų59.928%0.28331%0.309SS..  trans-58.1150.7169.2-78.5-21.7000112.1K198 A199 F217 C218 K219 L223 L238K198-D221 CarbonylContact C-O 3.55Å; K198-D221 WeakPolarHBondContact CA-O 3.32Å; A199-D221 HydrophobicContact CB-CB 4.28Å; A199-D221 PolarHBondContact N-O 2.86Å; F217-D221 HydrophobicContact CB-CB 4.39Å; C218-D221 PolarHBondContact N-OD2 3.4Å; C218-D221 VanDerWaalsContact O-CB 3.28Å; C218-D221 WeakPolarHBondContact O-CB 3.48Å; C218-D221 PolarHBondContact O-N 2.92Å; K219-D221 PolarHBondContact O-N 3Å; D221-L223 HydrophobicContact CB-CD1 4.32Å; D221-L238 HydrophobicContact CB-CD1 4.33Å; D221-L238 HydrophobicContact CB-CD2 4.33Å
222I96.3Very high92.6Very high85 Ų8560.9 Ų60.944%0.43632%0.315SS..EExtended strand (participates in β ladder)trans-109.5108.6176.4-52.9-60.6000109.3Q196 C197 K198Q196-I222 HydrophobicContact CB-CG2 4.11Å; Q196-I222 HydrophobicContact CG-CG2 4.2Å; C197-I222 WeakPolarHBondContact O-CA 3.19Å; K198-I222 HydrophobicContact CB-CD1 3.79Å; K198-I222 HydrophobicContact CD-CD1 4.2Å; K198-I222 HydrophobicContact CG-CD1 3.77Å
223L95.9Very high93.6Very high0 Ų057.7 Ų57.70%030%0.299CS..EExtended strand (participates in β ladder)trans-98.9145.7178.3-53.286.7000109.7Q196 C197 A199 L215 F217 D221 M237 L238 F245 V250Q196-L223 CarbonylContact C-O 3.55Å; Q196-L223 WeakPolarHBondContact CA-O 3.32Å; C197-L223 PolarHBondContact N-O 2.93Å; C197-L223 PolarHBondContact O-N 2.94Å; A199-L223 HydrophobicContact CB-CD1 4.23Å; L215-L223 HydrophobicContact CD2-CD2 3.84Å; L215-L223 HydrophobicContact CG-CD2 4.36Å; F217-L223 HydrophobicContact CB-CD1 4.44Å; F217-L223 HydrophobicContact CB-CD2 4.21Å; F217-L223 HydrophobicContact CD1-CD2 3.69Å; F217-L223 HydrophobicContact CD2-CD1 4.36Å; F217-L223 HydrophobicContact CE1-CD2 4.29Å; F217-L223 HydrophobicContact CG-CD1 4.22Å; F217-L223 HydrophobicContact CG-CD2 4.01Å; D221-L223 HydrophobicContact CB-CD1 4.32Å; L223-M237 WeakPolarHBondContact CA-O 3.18Å; L223-L238 HydrophobicContact CD2-CB 4.37Å; L223-L238 HydrophobicContact CG-CB 4.28Å; L223-L238 HydrophobicContact CG-CD1 4.47Å; L223-F245 HydrophobicContact CB-CE1 4.44Å; L223-F245 HydrophobicContact CD2-CD1 3.86Å; L223-F245 HydrophobicContact CD2-CE1 3.95Å; L223-F245 HydrophobicContact CD2-CG 4.49Å; L223-V250 HydrophobicContact CD1-CG1 4.49Å
224T95.6Very high94.1Very high41 Ų4152.5 Ų52.525%0.25227%0.271SS..EExtended strand (participates in β ladder)trans-93124.8172.4-55.50000109P195 G236 M237P195-T224 CarbonylContact O-C 3.58Å; P195-T224 WeakPolarHBondContact O-CA 3.45Å; P195-T224 WeakPolarHBondContact O-CG2 3.43Å; T224-G236 CarbonylContact O-C 3.44Å; T224-G236 WeakPolarHBondContact O-CA 3.46Å; T224-M237 PolarHBondContact N-O 3.38Å; T224-M237 PolarHBondContact O-N 3.08Å
225V95.7Very high94.4Very high3 Ų352.8 Ų52.82%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-84.5132.5-178-174.40000109.6P195 C197 F245 F252 A256 L259 I260P195-V225 HydrophobicContact CB-CB 4.42Å; P195-V225 WeakPolarHBondContact CG-O 3.19Å; P195-V225 PolarHBondContact O-N 2.97Å; C197-V225 HydrophobicContact CB-CG2 4.06Å; V225-F245 HydrophobicContact CG2-CZ 4.34Å; V225-F252 HydrophobicContact CG2-CD1 3.94Å; V225-F252 HydrophobicContact CG2-CE1 3.9Å; V225-A256 HydrophobicContact CB-CB 4.16Å; V225-A256 HydrophobicContact CG2-CB 3.79Å; V225-L259 HydrophobicContact CG1-CD2 4.35Å; V225-I260 HydrophobicContact CG1-CD1 4Å; V225-I260 HydrophobicContact CG1-CG1 4.16Å
226I93.9Very high94.5Very high70 Ų7052.6 Ų52.636%0.35927%0.269SS..EExtended strand (participates in β ladder)trans-100.9-52.1-179.2-66.7167.8000110.8E235 M237 I242I226-E235 HydrophobicContact CB-CG 4.48Å; I226-E235 HydrophobicContact CD1-CG 4.45Å; I226-E235 WeakPolarHBondContact CG2-OE2 3.43Å; I226-E235 PolarHBondContact N-O 3.39Å; I226-M237 HydrophobicContact CD1-CB 4.2Å; I226-I242 HydrophobicContact CD1-CD1 4.19Å; I226-I242 HydrophobicContact CD1-CG1 4.08Å; I226-I242 HydrophobicContact CD1-CG2 3.9Å
227R93.9Very high94.6Very high39 Ų3953.6 Ų53.615%0.14727%0.271CS..EExtended strand (participates in β ladder)trans-159.9162.3-177.160.4-179.7174109.1-0.1111.6E235R227-E235 HydrophobicContact CG-CB 3.87Å; R227-E235 IonicContact CZ-OE1 2.91Å; R227-E235 IonicContact CZ-OE2 3.89Å; R227-E235 PolarHBondContact N-O 3.09Å; R227-E235 VanDerWaalsContact NE-CD 3.29Å; R227-E235 IonicContact NE-OE1 3.76Å; R227-E235 PolarHBondContact NE-OE1 2.69Å; R227-E235 IonicContact NE-OE2 3.35Å; R227-E235 PolarHBondContact NE-OE2 2.86Å; R227-E235 IonicContact NH2-OE1 3.43Å; R227-E235 PolarHBondContact NH2-OE1 2.91Å; R227-E235 IonicContact NH2-OE2 2.76Å; R227-E235 PolarHBondContact O-N 3.15Å
228R93Very high94.6Very high44 Ų4455.3 Ų55.317%0.16628%0.28CS..EExtended strand (participates in β ladder)trans-73.1148.2163.6-166.6171.6-173.3150.9-7.8110D230 E231 I260 D263R228-D230 WeakPolarHBondContact CG-O 3.47Å; R228-D230 PolarHBondContact NE-O 3.43Å; R228-E231 IonicContact NH2-OE1 2.94Å; R228-I260 WeakPolarHBondContact CD-O 3.46Å; R228-I260 HydrophobicContact CG-CG2 4.39Å; R228-I260 PolarHBondContact NH1-O 3.07Å; R228-D263 HydrophobicContact CB-CB 3.54Å; R228-D263 WeakPolarHBondContact CB-OD2 3.36Å; R228-D263 HydrophobicContact CG-CB 4.41Å; R228-D263 PolarHBondContact N-OD2 3.24Å
229V92.7Very high94.3Very high59 Ų5954.7 Ų54.736%0.35829%0.286SS..  trans-108.7-48.7170.5178.70000109.8W233 E235 I244V229-W233 HydrophobicContact CB-CB 4.12Å; V229-W233 WeakPolarHBondContact CB-O 3.39Å; V229-W233 HydrophobicContact CG1-CB 4.47Å; V229-W233 PolarHBondContact N-O 2.69Å; V229-E235 HydrophobicContact CG2-CB 3.9Å; V229-I244 HydrophobicContact CG2-CG2 3.99Å
230D92.2Very high94Very high73 Ų7358.1 Ų58.139%0.3931%0.309SS..SBendtrans-152.3-154.317161.337.6000111.5R228 N232 W233R228-D230 WeakPolarHBondContact CG-O 3.47Å; R228-D230 PolarHBondContact NE-O 3.43Å; D230-N232 VanDerWaalsContact C-N 3.31Å; D230-N232 WeakPolarHBondContact OD1-CA 3.33Å; D230-N232 PolarHBondContact OD1-N 2.71Å; D230-W233 PolarHBondContact N-O 3.01Å; D230-W233 PolarHBondContact OD1-N 3.1Å
231E89.6Confident93.8Very high119 Ų11961.1 Ų61.156%0.55632%0.318SS*.SBendtrans-80.1-8.6176.9-60.4-152.4116.600114.6R228 K264R228-E231 IonicContact NH2-OE1 2.94Å; E231-K264 WeakPolarHBondContact OE1-CE 3.46Å; E231-K264 IonicContact OE1-NZ 3.5Å; E231-K264 PolarHBondContact OE1-NZ 3.35Å
232N93.6Very high93.6Very high111 Ų11163.4 Ų63.459%0.59433%0.329SS*.SBendtrans-123.9-19.9-176.7-55.9150.5000112.7D230 P246 I247D230-N232 VanDerWaalsContact C-N 3.31Å; D230-N232 WeakPolarHBondContact OD1-CA 3.33Å; D230-N232 PolarHBondContact OD1-N 2.71Å; N232-P246 CarbonylContact O-C 3.59Å; N232-P246 VanDerWaalsContact O-CA 3.31Å; N232-P246 WeakPolarHBondContact O-CA 3.34Å; N232-I247 PolarHBondContact O-N 3.4Å
233W93.9Very high93.5Very high77 Ų7759.6 Ų59.629%0.29231%0.311SS..EExtended strand (participates in β ladder)trans-123.2139.5-178.3-62.988.7000113F203 V229 D230 I244 F245 P246 I247F203-W233 HydrophobicContact CE2-CH2 4.31Å; F203-W233 AromaticContact CZ-CH2 3.92Å; F203-W233 HydrophobicContact CZ-CH2 3.92Å; F203-W233 AromaticContact CZ-CZ3 3.86Å; F203-W233 HydrophobicContact CZ-CZ3 3.86Å; V229-W233 HydrophobicContact CB-CB 4.12Å; V229-W233 WeakPolarHBondContact CB-O 3.39Å; V229-W233 HydrophobicContact CG1-CB 4.47Å; V229-W233 PolarHBondContact N-O 2.69Å; D230-W233 PolarHBondContact N-O 3.01Å; D230-W233 PolarHBondContact OD1-N 3.1Å; W233-I244 HydrophobicContact CD2-CD1 4.21Å; W233-I244 HydrophobicContact CE3-CB 4.03Å; W233-I244 HydrophobicContact CE3-CD1 3.78Å; W233-I244 HydrophobicContact CE3-CG1 3.74Å; W233-I244 HydrophobicContact CZ3-CD1 4.14Å; W233-I244 HydrophobicContact CZ3-CG1 3.98Å; W233-F245 WeakPolarHBondContact CA-O 3.42Å; W233-P246 HydrophobicContact CE3-CG 4.37Å; W233-P246 HydrophobicContact CH2-CG 3.96Å; W233-P246 HydrophobicContact CZ2-CG 4.45Å; W233-P246 HydrophobicContact CZ3-CG 3.92Å; W233-I247 WeakPolarHBondContact O-CD1 3.48Å
234A95.2Very high93.5Very high0 Ų061.6 Ų61.60%032%0.321CS..EExtended strand (participates in β ladder)trans-123.3153167.900000109.5I244 F245 I247 I260A234-I244 CarbonylContact O-C 3.54Å; A234-I244 WeakPolarHBondContact O-CA 3.13Å; A234-F245 HydrophobicContact CB-CD2 4.49Å; A234-F245 HydrophobicContact CB-CE2 3.89Å; A234-F245 HydrophobicContact CB-CZ 4.16Å; A234-F245 PolarHBondContact N-O 2.85Å; A234-F245 PolarHBondContact O-N 2.73Å; A234-I247 HydrophobicContact CB-CD1 4.26Å; A234-I247 HydrophobicContact CB-CG1 3.81Å; A234-I260 HydrophobicContact CB-CD1 4.2Å
235E95.2Very high93.5Very high26 Ų2659.6 Ų59.612%0.12131%0.309CS..EExtended strand (participates in β ladder)trans-96.4139.5170.2-177.7-176-99.200108.9I226 R227 V229 I242 I244I226-E235 HydrophobicContact CB-CG 4.48Å; I226-E235 HydrophobicContact CD1-CG 4.45Å; I226-E235 WeakPolarHBondContact CG2-OE2 3.43Å; I226-E235 PolarHBondContact N-O 3.39Å; R227-E235 HydrophobicContact CG-CB 3.87Å; R227-E235 IonicContact CZ-OE1 2.91Å; R227-E235 IonicContact CZ-OE2 3.89Å; R227-E235 PolarHBondContact N-O 3.09Å; R227-E235 VanDerWaalsContact NE-CD 3.29Å; R227-E235 IonicContact NE-OE1 3.76Å; R227-E235 PolarHBondContact NE-OE1 2.69Å; R227-E235 IonicContact NE-OE2 3.35Å; R227-E235 PolarHBondContact NE-OE2 2.86Å; R227-E235 IonicContact NH2-OE1 3.43Å; R227-E235 PolarHBondContact NH2-OE1 2.91Å; R227-E235 IonicContact NH2-OE2 2.76Å; R227-E235 PolarHBondContact O-N 3.15Å; V229-E235 HydrophobicContact CG2-CB 3.9Å; E235-I242 HydrophobicContact CG-CG2 4.02Å; E235-I244 HydrophobicContact CB-CG2 4.48Å
236G95.1Very high93.4Very high0 Ų060.1 Ų60.10%031%0.312CS..EExtended strand (participates in β ladder)trans-161.6-161.4171.900000112.4L215 T224 I242 G243L215-G236 WeakPolarHBondContact CD2-O 3.4Å; T224-G236 CarbonylContact O-C 3.44Å; T224-G236 WeakPolarHBondContact O-CA 3.46Å; G236-I242 VanDerWaalsContact O-CA 3.32Å; G236-I242 WeakPolarHBondContact O-CA 3.32Å; G236-G243 PolarHBondContact N-O 3.13Å; G236-G243 PolarHBondContact O-N 2.7Å
237M95.6Very high93.5Very high68 Ų6858.2 Ų58.234%0.33530%0.303SS..EExtended strand (participates in β ladder)trans-142.3134.5-166.7-170.9175.470.700111.9L223 T224 I226 G239 K241 I242L223-M237 WeakPolarHBondContact CA-O 3.18Å; T224-M237 PolarHBondContact N-O 3.38Å; T224-M237 PolarHBondContact O-N 3.08Å; I226-M237 HydrophobicContact CD1-CB 4.2Å; M237-G239 VanDerWaalsContact CG-O 3.31Å; M237-G239 WeakPolarHBondContact CG-O 3.41Å; M237-K241 CarbonylContact C-O 3.55Å; M237-K241 WeakPolarHBondContact CA-O 3.2Å; M237-K241 WeakPolarHBondContact CG-O 3.25Å; M237-I242 HydrophobicContact CB-CG1 4.12Å; M237-I242 HydrophobicContact CG-CG1 3.87Å; M237-I242 HydrophobicContact SD-CD1 4.41Å; M237-I242 HydrophobicContact SD-CG1 4.02Å
238L94.3Very high93.6Very high45 Ų4560.5 Ų60.524%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-130.5114.4174.2-179.760.8000108.8L215 F217 D221 L223 D240 K241L215-L238 HydrophobicContact CD1-CB 4.18Å; L215-L238 HydrophobicContact CD2-CB 4.06Å; L215-L238 HydrophobicContact CG-CB 4.34Å; F217-L238 HydrophobicContact CB-CD2 3.61Å; D221-L238 HydrophobicContact CB-CD1 4.33Å; D221-L238 HydrophobicContact CB-CD2 4.33Å; L223-L238 HydrophobicContact CD2-CB 4.37Å; L223-L238 HydrophobicContact CG-CB 4.28Å; L223-L238 HydrophobicContact CG-CD1 4.47Å; L238-D240 PolarHBondContact O-N 3.1Å; L238-K241 PolarHBondContact N-O 3.47Å; L238-K241 PolarHBondContact O-N 2.74Å
239G89.8Confident93.7Very high60 Ų6062.8 Ų62.862%0.61933%0.334SS*.THydrogen-bonded Turntrans59.9-130.3-163.200000110.3M237M237-G239 VanDerWaalsContact CG-O 3.31Å; M237-G239 WeakPolarHBondContact CG-O 3.41Å
240D89.4Confident93.9Very high169 Ų16960.3 Ų60.390%0.90432%0.319SS*.THydrogen-bonded Turntrans-90.81.1176.4-50.8-65.1000113.6L238L238-D240 PolarHBondContact O-N 3.1Å
241K91.4Very high94.1Very high141 Ų14162 Ų6261%0.61332%0.324SS*.EExtended strand (participates in β ladder)trans-91.6126.6-179-68.7-169.8174.9-168.50111.2L215 M237 L238L215-K241 HydrophobicContact CD1-CB 3.64Å; L215-K241 WeakPolarHBondContact CD1-O 3.23Å; M237-K241 CarbonylContact C-O 3.55Å; M237-K241 WeakPolarHBondContact CA-O 3.2Å; M237-K241 WeakPolarHBondContact CG-O 3.25Å; L238-K241 PolarHBondContact N-O 3.47Å; L238-K241 PolarHBondContact O-N 2.74Å
242I93.8Very high94.3Very high102 Ų10257.5 Ų57.552%0.52330%0.303SS..EExtended strand (participates in β ladder)trans-102.2145.4170.5-63.2171.5000109.1I226 E235 G236 M237I226-I242 HydrophobicContact CD1-CD1 4.19Å; I226-I242 HydrophobicContact CD1-CG1 4.08Å; I226-I242 HydrophobicContact CD1-CG2 3.9Å; E235-I242 HydrophobicContact CG-CG2 4.02Å; G236-I242 VanDerWaalsContact O-CA 3.32Å; G236-I242 WeakPolarHBondContact O-CA 3.32Å; M237-I242 HydrophobicContact CB-CG1 4.12Å; M237-I242 HydrophobicContact CG-CG1 3.87Å; M237-I242 HydrophobicContact SD-CD1 4.41Å; M237-I242 HydrophobicContact SD-CG1 4.02Å
243G93.9Very high94.2Very high5 Ų554.2 Ų54.25%0.05229%0.285CS..EExtended strand (participates in β ladder)trans174.4-179.6170.500000112.9D213 G236D213-G243 CarbonylContact O-C 3.49Å; D213-G243 VanDerWaalsContact O-CA 3.23Å; D213-G243 WeakPolarHBondContact O-CA 3.47Å; G236-G243 PolarHBondContact N-O 3.13Å; G236-G243 PolarHBondContact O-N 2.7Å
244I94.7Very high93.9Very high41 Ų4154 Ų5421%0.2130%0.296CS..EExtended strand (participates in β ladder)trans-88.7146.2-178.670.4173.7000112.6D213 C214 L215 V229 W233 A234 E235D213-I244 PolarHBondContact O-N 3.28Å; C214-I244 WeakPolarHBondContact CA-O 3.42Å; C214-I244 HydrophobicContact CB-CG1 4.4Å; L215-I244 PolarHBondContact N-O 3.33Å; V229-I244 HydrophobicContact CG2-CG2 3.99Å; W233-I244 HydrophobicContact CD2-CD1 4.21Å; W233-I244 HydrophobicContact CE3-CB 4.03Å; W233-I244 HydrophobicContact CE3-CD1 3.78Å; W233-I244 HydrophobicContact CE3-CG1 3.74Å; W233-I244 HydrophobicContact CZ3-CD1 4.14Å; W233-I244 HydrophobicContact CZ3-CG1 3.98Å; A234-I244 CarbonylContact O-C 3.54Å; A234-I244 WeakPolarHBondContact O-CA 3.13Å; E235-I244 HydrophobicContact CB-CG2 4.48Å
245F95.4Very high93.6Very high0 Ų054.6 Ų54.60%030%0.301CS..EExtended strand (participates in β ladder)trans-142157.7173.554.7-102.3000113.2L215 F217 L223 V225 W233 A234 I247 V250 F252L215-F245 HydrophobicContact CD2-CD1 4.3Å; F217-F245 HydrophobicContact CD1-CB 4.4Å; F217-F245 HydrophobicContact CE1-CB 3.52Å; F217-F245 HydrophobicContact CE1-CG 4.24Å; F217-F245 HydrophobicContact CZ-CB 4.25Å; L223-F245 HydrophobicContact CB-CE1 4.44Å; L223-F245 HydrophobicContact CD2-CD1 3.86Å; L223-F245 HydrophobicContact CD2-CE1 3.95Å; L223-F245 HydrophobicContact CD2-CG 4.49Å; V225-F245 HydrophobicContact CG2-CZ 4.34Å; W233-F245 WeakPolarHBondContact CA-O 3.42Å; A234-F245 HydrophobicContact CB-CD2 4.49Å; A234-F245 HydrophobicContact CB-CE2 3.89Å; A234-F245 HydrophobicContact CB-CZ 4.16Å; A234-F245 PolarHBondContact N-O 2.85Å; A234-F245 PolarHBondContact O-N 2.73Å; F245-I247 PolarHBondContact O-N 3.31Å; F245-V250 HydrophobicContact CD2-CG1 4.12Å; F245-V250 HydrophobicContact CD2-CG2 4.26Å; F245-V250 HydrophobicContact CE2-CG1 4.25Å; F245-V250 HydrophobicContact CE2-CG2 3.86Å; F245-F252 HydrophobicContact CE2-CE1 4.33Å; F245-F252 HydrophobicContact CE2-CZ 4.45Å
246P95.2Very high93.4Very high13 Ų1353.4 Ų53.48%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-68.2125.4176.4-18.632.1000112.5F203 N232 W233 S248 Y249F203-P246 HydrophobicContact CD2-CG 4.02Å; F203-P246 HydrophobicContact CE2-CG 3.75Å; F203-P246 HydrophobicContact CZ-CG 4.22Å; N232-P246 CarbonylContact O-C 3.59Å; N232-P246 VanDerWaalsContact O-CA 3.31Å; N232-P246 WeakPolarHBondContact O-CA 3.34Å; W233-P246 HydrophobicContact CE3-CG 4.37Å; W233-P246 HydrophobicContact CH2-CG 3.96Å; W233-P246 HydrophobicContact CZ2-CG 4.45Å; W233-P246 HydrophobicContact CZ3-CG 3.92Å; P246-S248 PolarHBondContact O-N 3.35Å; P246-Y249 HydrophobicContact CB-CD2 3.74Å; P246-Y249 HydrophobicContact CB-CE2 4.46Å; P246-Y249 HydrophobicContact CB-CG 4.13Å; P246-Y249 HydrophobicContact CG-CD2 4.18Å; P246-Y249 HydrophobicContact CG-CG 4.32Å; P246-Y249 PolarHBondContact O-N 3.46Å
247I95.4Very high93.2Very high31 Ų3159.7 Ų59.716%0.15932%0.319CS..G310 helixtrans-55.9-34.2175.8-70.8176.7000111.4N232 W233 A234 F245 Y249 F252N232-I247 PolarHBondContact O-N 3.4Å; W233-I247 WeakPolarHBondContact O-CD1 3.48Å; A234-I247 HydrophobicContact CB-CD1 4.26Å; A234-I247 HydrophobicContact CB-CG1 3.81Å; F245-I247 PolarHBondContact O-N 3.31Å; I247-Y249 VanDerWaalsContact C-N 3.28Å; I247-Y249 PolarHBondContact O-N 3.48Å; I247-F252 HydrophobicContact CB-CE2 4.43Å; I247-F252 HydrophobicContact CB-CZ 4.34Å; I247-F252 HydrophobicContact CG1-CZ 4.32Å; I247-F252 HydrophobicContact CG2-CE2 3.69Å; I247-F252 HydrophobicContact CG2-CZ 4.02Å
248S95.9Very high92.8Very high87 Ų8761 Ų6161%0.60832%0.324SS*.G310 helixtrans-76-8.2179.155.20000114.9P246P246-S248 PolarHBondContact O-N 3.35Å
249Y95.9Very high92.5Very high91 Ų9161 Ų6136%0.35732%0.324SS..G310 helixtrans-94.4-2179.7-85-126.4000113.2L200 Y201 F203 P246 I247L200-Y249 PolarHBondContact N-O 3Å; Y201-Y249 HydrophobicContact CD2-CD1 4.33Å; Y201-Y249 HydrophobicContact CD2-CG 4.28Å; F203-Y249 HydrophobicContact CB-CD1 4.26Å; P246-Y249 HydrophobicContact CB-CD2 3.74Å; P246-Y249 HydrophobicContact CB-CE2 4.46Å; P246-Y249 HydrophobicContact CB-CG 4.13Å; P246-Y249 HydrophobicContact CG-CD2 4.18Å; P246-Y249 HydrophobicContact CG-CG 4.32Å; P246-Y249 PolarHBondContact O-N 3.46Å; I247-Y249 VanDerWaalsContact C-N 3.28Å; I247-Y249 PolarHBondContact O-N 3.48Å
250V95.7Very high92.4Very high8 Ų858.8 Ų58.85%0.04830%0.298CS..EExtended strand (participates in β ladder)trans-135.8154.7-173.5-54.40000112.2C197 K198 F217 L223 F245 F252C197-V250 HydrophobicContact CB-CB 3.86Å; C197-V250 HydrophobicContact CB-CG2 3.77Å; K198-V250 CarbonylContact O-C 3.59Å; K198-V250 VanDerWaalsContact O-CA 3.25Å; K198-V250 WeakPolarHBondContact O-CA 3.23Å; F217-V250 HydrophobicContact CE2-CG1 4.18Å; F217-V250 HydrophobicContact CZ-CG1 4.01Å; L223-V250 HydrophobicContact CD1-CG1 4.49Å; F245-V250 HydrophobicContact CD2-CG1 4.12Å; F245-V250 HydrophobicContact CD2-CG2 4.26Å; F245-V250 HydrophobicContact CE2-CG1 4.25Å; F245-V250 HydrophobicContact CE2-CG2 3.86Å; V250-F252 HydrophobicContact CG2-CD1 4.37Å; V250-F252 HydrophobicContact CG2-CD2 4.42Å; V250-F252 HydrophobicContact CG2-CE1 3.61Å; V250-F252 HydrophobicContact CG2-CE2 3.67Å; V250-F252 HydrophobicContact CG2-CZ 3.22Å
251E96.2Very high92Very high107 Ų10757.7 Ų57.750%0.529%0.288SS..EExtended strand (participates in β ladder)trans-106118.2170.8-179179.6-171.300110C197 K198 L200C197-E251 CarbonylContact C-O 3.4Å; C197-E251 WeakPolarHBondContact CA-O 3.36Å; C197-E251 WeakPolarHBondContact CB-O 3.2Å; K198-E251 PolarHBondContact N-O 2.83Å; K198-E251 PolarHBondContact O-N 2.91Å; L200-E251 HydrophobicContact CD1-CB 4.21Å; L200-E251 HydrophobicContact CD2-CB 3.99Å; L200-E251 HydrophobicContact CG-CB 4.15Å
252F94.5Very high91.1Very high26 Ų2658.4 Ų58.411%0.11430%0.297CS..EExtended strand (participates in β ladder)trans-80.2139-179.3-59.7-76.9000112.5C197 V225 F245 I247 V250 A256 R257 I260C197-F252 HydrophobicContact CB-CD1 3.47Å; C197-F252 VanDerWaalsContact CB-CD1 3.47Å; C197-F252 HydrophobicContact CB-CE1 3.7Å; C197-F252 HydrophobicContact CB-CG 4.2Å; V225-F252 HydrophobicContact CG2-CD1 3.94Å; V225-F252 HydrophobicContact CG2-CE1 3.9Å; F245-F252 HydrophobicContact CE2-CE1 4.33Å; F245-F252 HydrophobicContact CE2-CZ 4.45Å; I247-F252 HydrophobicContact CB-CE2 4.43Å; I247-F252 HydrophobicContact CB-CZ 4.34Å; I247-F252 HydrophobicContact CG1-CZ 4.32Å; I247-F252 HydrophobicContact CG2-CE2 3.69Å; I247-F252 HydrophobicContact CG2-CZ 4.02Å; V250-F252 HydrophobicContact CG2-CD1 4.37Å; V250-F252 HydrophobicContact CG2-CD2 4.42Å; V250-F252 HydrophobicContact CG2-CE1 3.61Å; V250-F252 HydrophobicContact CG2-CE2 3.67Å; V250-F252 HydrophobicContact CG2-CZ 3.22Å; F252-A256 HydrophobicContact CB-CB 4.04Å; F252-A256 HydrophobicContact CD1-CB 3.84Å; F252-A256 HydrophobicContact CG-CB 4.4Å; F252-R257 HydrophobicContact CB-CG 3.65Å; F252-R257 VanDerWaalsContact O-CZ 3.26Å; F252-R257 PolarHBondContact O-NE 3.43Å; F252-R257 PolarHBondContact O-NH2 3.43Å; F252-I260 HydrophobicContact CD1-CD1 3.54Å; F252-I260 HydrophobicContact CD2-CD1 4.38Å; F252-I260 HydrophobicContact CE1-CD1 3.14Å; F252-I260 HydrophobicContact CE2-CD1 4.05Å; F252-I260 HydrophobicContact CG-CD1 4.16Å; F252-I260 HydrophobicContact CZ-CD1 3.41Å; F252-I260 VanDerWaalsContact CZ-CD1 3.41Å
253N91.6Very high89.6Confident41 Ų4157.4 Ų57.422%0.21929%0.293CS..  trans-71.5170.2163.179.55.1000110.9P194 Q196 A255 A256 R257P194-N253 PolarHBondContact O-ND2 3.29Å; Q196-N253 PolarHBondContact N-ND2 2.87Å; Q196-N253 PolarHBondContact N-OD1 2.89Å; Q196-N253 WeakPolarHBondContact O-CB 3.36Å; Q196-N253 PolarHBondContact O-N 3.14Å; Q196-N253 PolarHBondContact O-OD1 3.34Å; N253-A255 VanDerWaalsContact C-N 3.33Å; N253-A255 PolarHBondContact O-N 2.73Å; N253-A255 PolarHBondContact OD1-N 3.26Å; N253-A256 PolarHBondContact O-N 3.44Å; N253-A256 WeakPolarHBondContact OD1-CB 3.18Å; N253-A256 PolarHBondContact OD1-N 3.06Å; N253-R257 WeakPolarHBondContact O-CG 3.5Å; N253-R257 PolarHBondContact O-N 3.49Å
254S87.9Confident88.3Confident73 Ų7362.1 Ų62.151%0.5131%0.312SS..Hα-helixtrans-57.6-41.5-175.946.70000113.5R257 Q258S254-R257 PolarHBondContact O-N 3.42Å; S254-Q258 WeakPolarHBondContact O-CG 3.37Å; S254-Q258 PolarHBondContact O-N 2.94Å; S254-Q258 VanDerWaalsContact O-N 3.1Å
255A88.8Confident85.9Confident13 Ų1365.4 Ų65.411%0.10734%0.336CS..Hα-helixtrans-64.5-41.4177.700000112.4P193 P195 N253 Q258 L259P193-A255 HydrophobicContact CG-CB 4.3Å; P193-A255 VanDerWaalsContact O-CB 3.29Å; P193-A255 WeakPolarHBondContact O-CB 3.2Å; P195-A255 HydrophobicContact CB-CB 4.46Å; N253-A255 VanDerWaalsContact C-N 3.33Å; N253-A255 PolarHBondContact O-N 2.73Å; N253-A255 PolarHBondContact OD1-N 3.26Å; A255-Q258 PolarHBondContact O-N 3.11Å; A255-L259 WeakPolarHBondContact O-CB 3.42Å; A255-L259 PolarHBondContact O-N 3.45Å
256A91.6Very high83.2Confident0 Ų070.8 Ų70.80%037%0.374CS..Hα-helixtrans-72.2-30.2177.100000113.5P195 V225 F252 N253 L259 I260P195-A256 HydrophobicContact CB-CB 4.04Å; V225-A256 HydrophobicContact CB-CB 4.16Å; V225-A256 HydrophobicContact CG2-CB 3.79Å; F252-A256 HydrophobicContact CB-CB 4.04Å; F252-A256 HydrophobicContact CD1-CB 3.84Å; F252-A256 HydrophobicContact CG-CB 4.4Å; N253-A256 PolarHBondContact O-N 3.44Å; N253-A256 WeakPolarHBondContact OD1-CB 3.18Å; N253-A256 PolarHBondContact OD1-N 3.06Å; A256-L259 PolarHBondContact O-N 3.03Å; A256-I260 WeakPolarHBondContact O-CG1 3.46Å; A256-I260 PolarHBondContact O-N 3.28Å
257R90.1Very high80.2Confident132 Ų13278.3 Ų78.350%0.49841%0.413SS..Hα-helixtrans-62.6-51.4170.7-68.1174.1-154.2-175.92110.5F252 N253 S254 L259 I260 E261F252-R257 HydrophobicContact CB-CG 3.65Å; F252-R257 VanDerWaalsContact O-CZ 3.26Å; F252-R257 PolarHBondContact O-NE 3.43Å; F252-R257 PolarHBondContact O-NH2 3.43Å; N253-R257 WeakPolarHBondContact O-CG 3.5Å; N253-R257 PolarHBondContact O-N 3.49Å; S254-R257 PolarHBondContact O-N 3.42Å; R257-L259 VanDerWaalsContact C-N 3.26Å; R257-L259 PolarHBondContact O-N 3.14Å; R257-I260 PolarHBondContact O-N 3.48Å; R257-E261 VanDerWaalsContact O-CB 3.27Å; R257-E261 WeakPolarHBondContact O-CB 3.38Å; R257-E261 PolarHBondContact O-N 3.29Å
258Q87.9Confident77.4Confident95 Ų9582.3 Ų82.344%0.44444%0.444SS..Hα-helixtrans-57.4-39.8177.7-71.7174.5-8.600111.9S254 A255 L262S254-Q258 WeakPolarHBondContact O-CG 3.37Å; S254-Q258 PolarHBondContact O-N 2.94Å; S254-Q258 VanDerWaalsContact O-N 3.1Å; A255-Q258 PolarHBondContact O-N 3.11Å; Q258-L262 VanDerWaalsContact O-CB 3.25Å; Q258-L262 WeakPolarHBondContact O-CB 3.18Å; Q258-L262 PolarHBondContact O-N 3.23Å
259L87.5Confident74.5Confident45 Ų4584.1 Ų84.124%0.23646%0.457CS..Hα-helixtrans-62.4-51175.6-165.4163.3000112P195 V225 A255 A256 R257 E261 D263P195-L259 HydrophobicContact CB-CD1 3.67Å; P195-L259 HydrophobicContact CG-CD1 3.81Å; V225-L259 HydrophobicContact CG1-CD2 4.35Å; A255-L259 WeakPolarHBondContact O-CB 3.42Å; A255-L259 PolarHBondContact O-N 3.45Å; A256-L259 PolarHBondContact O-N 3.03Å; R257-L259 VanDerWaalsContact C-N 3.26Å; R257-L259 PolarHBondContact O-N 3.14Å; L259-E261 VanDerWaalsContact C-N 3.33Å; L259-E261 PolarHBondContact O-N 2.96Å; L259-D263 PolarHBondContact O-N 3.02Å
260I86.7Confident71.4Confident14 Ų1483.1 Ų83.17%0.07247%0.474CS..Hα-helixtrans-70.7-28.2-178.9-71.1173.4000112.5V225 R228 A234 F252 A256 R257V225-I260 HydrophobicContact CG1-CD1 4Å; V225-I260 HydrophobicContact CG1-CG1 4.16Å; R228-I260 WeakPolarHBondContact CD-O 3.46Å; R228-I260 HydrophobicContact CG-CG2 4.39Å; R228-I260 PolarHBondContact NH1-O 3.07Å; A234-I260 HydrophobicContact CB-CD1 4.2Å; F252-I260 HydrophobicContact CD1-CD1 3.54Å; F252-I260 HydrophobicContact CD2-CD1 4.38Å; F252-I260 HydrophobicContact CE1-CD1 3.14Å; F252-I260 HydrophobicContact CE2-CD1 4.05Å; F252-I260 HydrophobicContact CG-CD1 4.16Å; F252-I260 HydrophobicContact CZ-CD1 3.41Å; F252-I260 VanDerWaalsContact CZ-CD1 3.41Å; A256-I260 WeakPolarHBondContact O-CG1 3.46Å; A256-I260 PolarHBondContact O-N 3.28Å; R257-I260 PolarHBondContact O-N 3.48Å
261E82.9Confident68.3Low147 Ų14791.6 Ų91.669%0.68751%0.513SS*.Hα-helixtrans-78-36.8178.3-167.5149.8-135.500112R257 L259 D263 K264R257-E261 VanDerWaalsContact O-CB 3.27Å; R257-E261 WeakPolarHBondContact O-CB 3.38Å; R257-E261 PolarHBondContact O-N 3.29Å; L259-E261 VanDerWaalsContact C-N 3.33Å; L259-E261 PolarHBondContact O-N 2.96Å; E261-D263 VanDerWaalsContact C-N 3.33Å; E261-D263 PolarHBondContact O-N 3.06Å; E261-K264 WeakPolarHBondContact O-CB 3.4Å; E261-K264 PolarHBondContact O-N 3.3Å; E261-K264 VanDerWaalsContact O-N 3.08Å
262L71.8Confident65.1Low155 Ų15590 Ų9081%0.81251%0.514SS*.Hα-helixtrans-65.2-32.3176.5-172.766.1000113.3Q258 K264Q258-L262 VanDerWaalsContact O-CB 3.25Å; Q258-L262 WeakPolarHBondContact O-CB 3.18Å; Q258-L262 PolarHBondContact O-N 3.23Å; L262-K264 PolarHBondContact O-N 3Å
263D61.4Low62Low82 Ų8295.3 Ų95.344%0.43954%0.542SS..THydrogen-bonded Turntrans-73.8-3.7173.8-82.3-23.7000113.5R228 L259 E261 P265R228-D263 HydrophobicContact CB-CB 3.54Å; R228-D263 WeakPolarHBondContact CB-OD2 3.36Å; R228-D263 HydrophobicContact CG-CB 4.41Å; R228-D263 PolarHBondContact N-OD2 3.24Å; L259-D263 PolarHBondContact O-N 3.02Å; E261-D263 VanDerWaalsContact C-N 3.33Å; E261-D263 PolarHBondContact O-N 3.06Å; D263-P265 WeakPolarHBondContact O-CD 3.5Å
264K67.8Low59.1Low103 Ų103102.7 Ų102.745%0.44858%0.575SS.*SBendtrans-82.9120.7178.4-161.8179.9-174.4170.70110.6E231 E261 L262 S266E231-K264 WeakPolarHBondContact OE1-CE 3.46Å; E231-K264 IonicContact OE1-NZ 3.5Å; E231-K264 PolarHBondContact OE1-NZ 3.35Å; E261-K264 WeakPolarHBondContact O-CB 3.4Å; E261-K264 PolarHBondContact O-N 3.3Å; E261-K264 VanDerWaalsContact O-N 3.08Å; L262-K264 PolarHBondContact O-N 3Å; K264-S266 PolarHBondContact O-N 3.21Å
265P44Very low56.1Low111 Ų111103.1 Ų103.172%0.72159%0.591SS**  trans-65.8129.5173.127.3-33.6000110.6D263 D267D263-P265 WeakPolarHBondContact O-CD 3.5Å; P265-D267 PolarHBondContact O-N 2.73Å
266S38Very low53.2Low113 Ų113107 Ų10779%0.7962%0.623SS**  trans-81.3100.6-176-53.40000112.4K264 S268K264-S266 PolarHBondContact O-N 3.21Å; S266-S268 PolarHBondContact O-N 3.38Å
267D32.5Very low50.2Low170 Ų170112.2 Ų112.291%0.90966%0.659SS**  trans-66.5118.4159.8-85.6-47.1000109.6P265P265-D267 PolarHBondContact O-N 2.73Å
268S36.7Very low47.2Very low116 Ų116114.2 Ų114.281%0.81168%0.679SS**  trans-11389.1-16953.40000114S266S266-S268 PolarHBondContact O-N 3.38Å
269S34.9Very low44.2Very low125 Ų125113 Ų11387%0.87469%0.692SS**  trans-162.4132.5156.857.20000110.8
270G30.8Very low42Very low69 Ų69116.3 Ų116.371%0.71172%0.717SS**  cis170.3149.7-1100000111
271E30.9Very low39.1Very low187 Ų187124.6 Ų124.687%0.87476%0.755SS**  trans61.4150.4166.3-69-153.663.300118.8
272S28.9Very low36.4Very low73 Ų73123 Ų12351%0.5176%0.76SS.*  cis-165.5145.3-9.3-106.60000111.9
273I29.5Very low34.2Very low137 Ų137123.7 Ų123.770%0.70376%0.764SS**  trans66.5136132.7-61172.2000122
274E29.6Very low32.5Very low196 Ų196123.3 Ų123.392%0.91678%0.78SS**  trans69.5156157.6-83.4176.5128.600123.7
275G26.8Very low30.6Very low82 Ų82123.1 Ų123.185%0.84580%0.797SS**  trans128106.3159.600000115
276A27.7Very low29.7Very low95 Ų95126.9 Ų126.979%0.78581%0.806SS**  trans-121.4153.7179.600000114.1
277S28.4Very low29.8Very low109 Ų109132.9 Ų132.976%0.76281%0.811SS**  trans80.8135149.8-88.90000122.5
278L27.2Very low30Very low174 Ų174130.6 Ų130.691%0.91181%0.805SS**  trans76.3139.1152.8-59.4166000119.8
279G24Very low29.7Very low70 Ų70128.5 Ų128.572%0.72280%0.802SS**  trans-103.5-143.6172.800000112.1
280P41.1Very low29.5Very low115 Ų115129.5 Ų129.575%0.74779%0.793SS**  cis-140.7-170.910.342.3-22.7000116.2
281Q26.8Very low29.5Very low188 Ų188134.6 Ų134.688%0.87980%0.795SS**  trans68.4153.4166.6-56.2-177.9000116.4
282S26.4Very low29.6Very low113 Ų113134.8 Ų134.879%0.7979%0.793SS**  cis-154.7-171.618.959.60000113.8
283N24.8Very low29.7Very low169 Ų169137.9 Ų137.990%0.90480%0.804SS**  trans-71.2162.5-167.7-61-38.6000118
284G26.5Very low29.7Very low75 Ų75137.2 Ų137.277%0.77381%0.807SS**  trans13684.8157.600000114.6
285A26.3Very low29.8Very low98 Ų98136.8 Ų136.881%0.8180%0.802SS**  89.6132.455.600000115.5
286Q26.5Very low30.1Very low191 Ų191141.7 Ų141.789%0.89380%0.8SS**  trans74.1108.2165.1-65.9-174.7-28.100122.1
287R38.7Very low30.4Very low238 Ų238148.6 Ų148.690%0.89881%0.806SS**  -78.4162129.7-58.2175.5167.4-173-3.9108.7
288P37.6Very low31Very low122 Ų122150.5 Ų150.579%0.79280%0.802SS**  -142.7152.186.935.4-18.6000113.6
289G29.7Very low31Very low72 Ų72147.2 Ų147.274%0.74279%0.794SS**  117.5158.784.800000109.7
290E31.6Very low31.4Very low146 Ų146152.4 Ų152.468%0.68280%0.797SS**  cis-157.9144.9-4.2-85.7-174.86800110.3
291K31.1Very low31.1Very low176 Ų176153 Ų15377%0.76580%0.799SS**  trans55.1155.1141.9-57.4167.9-171.71600118.8
292K32.3Very low31.2Very low191 Ų191147.6 Ų147.683%0.8378%0.782SS**  cis-155.7141.88.8-147.5176-179.1179.90111.8
293N31.7Very low31.6Very low138 Ų138150 Ų15074%0.73879%0.785SS**  trans-12.4131156.8175.325000120.1
294T29.6Very low31.9Very low124 Ų124147.6 Ų147.676%0.76178%0.776SS**  -158.7126.8127.519.60000115.7
295K31.4Very low32.3Very low187 Ų187150.1 Ų150.181%0.81377%0.769SS**  trans42.9103.1140.5-64.8177.6179176.60121.4
296K33.6Very low32.4Very low184 Ų184151.2 Ų151.280%0.877%0.771SS**  32.9103.3118.4-173.2-178.9-177.6174.60118.1
297R33.3Very low32.9Very low240 Ų240148.8 Ų148.891%0.90676%0.759SS**  trans-154.8138.5130.9-125.7176.8-176.2-177.50.3112.7
298H40.4Very low32.7Very low150 Ų150146.1 Ų146.169%0.69475%0.754SS**  trans-103.5130.5173.929-114000109.6
299S28.6Very low32.8Very low105 Ų105145.2 Ų145.273%0.73475%0.748SS**  trans-174.2107161.747.90000106.7
300F31.8Very low32.6Very low178 Ų178150.4 Ų150.478%0.78176%0.756SS**  78.8104.968.7-170-79.7000111.9S302F300-S302 WeakPolarHBondContact CZ-OG 3.27Å
301T34.2Very low32.9Very low129 Ų129151.3 Ų151.379%0.79176%0.764SS**  trans-142.196.7161.9-49.10000108.8
302S30.1Very low33Very low74 Ų74147 Ų14752%0.51776%0.762SS.*  trans-77.3144.7166.1-54.20000110.2F300F300-S302 WeakPolarHBondContact CZ-OG 3.27Å
303L34.9Very low33.4Very low164 Ų164144 Ų14486%0.85976%0.761SS**  trans-134.588.6164.1-76.5-179.9000111.8
304T30.4Very low33.7Very low117 Ų117142.9 Ų142.972%0.71876%0.762SS**  trans-72.2157.4146.547.60000109.5
305M34Very low34Very low128 Ų128142.7 Ų142.763%0.63176%0.763SS**  cis-160.71610.4-123.4-57.7164.300109.1
306S30Very low33.9Very low121 Ų121142.3 Ų142.385%0.84676%0.764SS**  trans-161.6129.4148-83.90000112
307H35.2Very low33.9Very low140 Ų140145 Ų14565%0.64877%0.769SS**  trans-108.2168.3177.4-75.7-47.5000108.4
308K35.9Very low33.9Very low182 Ų182141.9 Ų141.979%0.79176%0.764SS**  cis-170.9-168.77.6-119.4168.8-175.4176.40105.1
309P39.6Very low33.3Very low103 Ų103139.7 Ų139.767%0.66977%0.766SS**  cis-126167.2-44.337.7-23.7000112.7
310M25.8Very low33.5Very low181 Ų181141 Ų14189%0.89276%0.762SS**  trans-153.1156.4148-114.4-63126.100110
311L36.2Very low33.4Very low166 Ų166141.5 Ų141.587%0.86977%0.767SS**  trans-89.7125.3-166.9-102.562.3000113.4
312A34.9Very low33.4Very low86 Ų86139.8 Ų139.871%0.71175%0.752SS**  trans-156.3136.9158.500000110
313P39.2Very low33.4Very low126 Ų126141.7 Ų141.782%0.81877%0.765SS**PPolyproline II helixtrans-73.4140.6171.8-14.329.8000111.5
314P37.9Very low33.5Very low115 Ų115137 Ų13775%0.74776%0.756SS**PPolyproline II helixtrans-74.9147.3172.231.7-34.2000111.2Q316P314-Q316 PolarHBondContact O-N 3.04Å
315P36.4Very low33.8Very low121 Ų121137.6 Ų137.679%0.78676%0.762SS**PPolyproline II helixtrans-68.7130.2171.828.8-33.4000110.4R317P315-R317 PolarHBondContact O-N 3.19Å
316Q30.7Very low33.8Very low178 Ų178138 Ų13883%0.83277%0.771SS**PPolyproline II helixtrans-63.6116.1169.6-72.9178-89.300109.4P314P314-Q316 PolarHBondContact O-N 3.04Å
317R32.5Very low33.9Very low242 Ų242139.8 Ų139.891%0.91377%0.771SS**PPolyproline II helixtrans-74.7123.2161-73.1-168.4172.1-133.5-1.3107.9P315 S319P315-R317 PolarHBondContact O-N 3.19Å; R317-S319 PolarHBondContact O-N 3.17Å
318H32.7Very low33.6Very low174 Ų174137.8 Ų137.881%0.80676%0.764SS**PPolyproline II helixtrans-70.5122.4167.8-76.9-89.8000108.6
319S29.2Very low33.2Very low104 Ų104134.3 Ų134.373%0.72776%0.762SS**PPolyproline II helixtrans-69.7137.2163.7-158.30000108.4R317 E321R317-S319 PolarHBondContact O-N 3.17Å; S319-E321 PolarHBondContact O-N 2.67Å
320M32.8Very low32.9Very low132 Ų132132.1 Ų132.165%0.6575%0.749SS**  trans-8584.7176.2-79.4168.254.200109.8I322M320-I322 HydrophobicContact CE-CD1 3.81Å; M320-I322 PolarHBondContact O-N 3.12Å
321E29.3Very low33.6Very low188 Ų188129.7 Ų129.788%0.87975%0.75SS**  trans-61.1112.5159.9-68.1-175.3117.500108.6S319S319-E321 PolarHBondContact O-N 2.67Å
322I33.2Very low33.6Very low94 Ų94125 Ų12548%0.48273%0.726SS.*  trans-127113.6170.7-66.2-177.7000107.8M320M320-I322 HydrophobicContact CE-CD1 3.81Å; M320-I322 PolarHBondContact O-N 3.12Å
323S31.9Very low33.7Very low113 Ų113126.8 Ų126.879%0.7973%0.731SS**  trans-67.6169.1176.3-56.40000112.5
324G35.2Very low33.7Very low65 Ų65126 Ų12667%0.6772%0.724SS**SBendtrans-60.4-175.4-173.200000118
325P37.3Very low33.6Very low130 Ų130124.7 Ų124.784%0.84472%0.722SS**  trans-63.3137.5-15223-35.1000115.3L327P325-L327 PolarHBondContact O-N 3.01Å; P325-L327 VanDerWaalsContact O-N 3.1Å
326V33.3Very low33.6Very low137 Ų137123.7 Ų123.783%0.8373%0.725SS**  trans-63.8107.8-178.3179.20000111.5
327L32.8Very low33.8Very low158 Ų158119.4 Ų119.483%0.82772%0.72SS**  trans-79.9151.1151.6-68.2177.2000109.5P325 S329P325-L327 PolarHBondContact O-N 3.01Å; P325-L327 VanDerWaalsContact O-N 3.1Å; L327-S329 PolarHBondContact O-N 3.01Å; L327-S329 VanDerWaalsContact O-N 3.13Å
328I28.6Very low34.3Very low98 Ų98118.8 Ų118.850%0.50372%0.717SS.*  trans-44.1114.1-172-62.4168.2000111.6L72 S330L72-I328 HydrophobicContact CB-CD1 4.49Å; L72-I328 HydrophobicContact CD2-CD1 3.67Å; L72-I328 HydrophobicContact CG-CD1 4.48Å; I328-S330 PolarHBondContact O-N 2.84Å
329S27.6Very low34.5Very low109 Ų109119.1 Ų119.176%0.76272%0.723SS**  trans-71.7116.7-178.7-168.40000110.9L327L327-S329 PolarHBondContact O-N 3.01Å; L327-S329 VanDerWaalsContact O-N 3.13Å
330S34.7Very low34.8Very low57 Ų57117.6 Ų117.640%0.39972%0.723SS.*  trans-99130.1175.954.30000111.3L9 I328 N332L9-S330 VanDerWaalsContact CD2-CB 3.48Å; I328-S330 PolarHBondContact O-N 2.84Å; S330-N332 PolarHBondContact O-N 3.3Å
331S38.4Very low34.9Very low130 Ų130119.8 Ų119.891%0.90973%0.732SS**SBendtrans-73.749.9-177.4-49.80000115
332N37.6Very low34.9Very low67 Ų67118.7 Ų118.736%0.35873%0.73SS.*  trans-143.8114.3169.9-169.5-33.8000111.2S330 T334 E826S330-N332 PolarHBondContact O-N 3.3Å; N332-T334 VanDerWaalsContact C-N 3.28Å; N332-T334 PolarHBondContact O-N 2.74Å; N332-T334 VanDerWaalsContact OD1-CB 3.3Å; N332-T334 WeakPolarHBondContact OD1-CB 3.3Å; N332-T334 PolarHBondContact OD1-N 2.95Å; N332-T334 PolarHBondContact OD1-OG1 3.07Å; N332-E826 PolarHBondContact ND2-OE1 3.35Å
333P36.4Very low34.8Very low125 Ų125120.4 Ų120.481%0.81275%0.751SS**G310 helixtrans-78-3.4-175.132-36.2000114.8A335P333-A335 PolarHBondContact O-N 2.98Å
334T39.3Very low34.6Very low109 Ų109119.1 Ų119.167%0.66976%0.755SS**G310 helixtrans-81.7-14.2-166.8-40.50000114.1N332N332-T334 VanDerWaalsContact C-N 3.28Å; N332-T334 PolarHBondContact O-N 2.74Å; N332-T334 VanDerWaalsContact OD1-CB 3.3Å; N332-T334 WeakPolarHBondContact OD1-CB 3.3Å; N332-T334 PolarHBondContact OD1-N 2.95Å; N332-T334 PolarHBondContact OD1-OG1 3.07Å
335A36.1Very low34.4Very low87 Ų87119.6 Ų119.672%0.71976%0.761SS**G310 helixtrans-80.1-18-170.200000115.7P333 A337P333-A335 PolarHBondContact O-N 2.98Å; A335-A337 VanDerWaalsContact C-N 3.31Å; A335-A337 PolarHBondContact O-N 3.28Å
336A35.5Very low33.9Very low101 Ų101122.2 Ų122.284%0.83577%0.767SS**G310 helixtrans-76.4-6.1-166.200000115.9
337A35.9Very low33.5Very low88 Ų88120.8 Ų120.873%0.72776%0.763SS**G310 helixtrans-105.623.4-165.500000115.4A335A335-A337 VanDerWaalsContact C-N 3.31Å; A335-A337 PolarHBondContact O-N 3.28Å
338R43.3Very low33.2Very low228 Ų228118.5 Ų118.586%0.8676%0.759SS**  trans-140.315.9-166.1-73.5-63.1-178.284.60.8118.3
339I35.6Very low33Very low182 Ų182120 Ų12093%0.93378%0.778SS**  trans-126.699.2170.5-54.9-178.2000109.9
340G36Very low33.2Very low71 Ų71119.3 Ų119.373%0.73278%0.779SS**SBendtrans170.638.6-177.300000113
341E34.4Very low33.4Very low178 Ų178122.1 Ų122.183%0.83280%0.796SS**  trans-178.994172.4-104.9-60.9111.300107.7
342I29.8Very low32.9Very low165 Ų165120.3 Ų120.385%0.84678%0.783SS**  trans179.587.4143.642.2163.7000109.9
343S30.9Very low32.6Very low130 Ų130125.5 Ų125.591%0.90981%0.805SS**SBendtrans-156116.4158.2-81.10000108.8
344G27.8Very low32.2Very low86 Ų86124 Ų12489%0.88779%0.794SS**  trans93.763.8-17800000114.8
345G30.2Very low31.5Very low76 Ų76127.7 Ų127.778%0.78480%0.803SS**  trans-89.8119.4161.200000111.3
346L26.6Very low31.2Very low185 Ų185128.9 Ų128.997%0.96980%0.796SS**  trans-149.9160.2150-88.8-169.6000109
347S25.3Very low30.8Very low107 Ų107129.7 Ų129.775%0.74879%0.794SS**  trans-119.6170.1-157.2-163.20000114.6
348C26.3Very low30.7Very low110 Ų110130.6 Ų130.674%0.74379%0.791SS**  trans49.3120.1157.5620000120.7
349S25.8Very low30.2Very low128 Ų128125.9 Ų125.990%0.89579%0.787SS**  -165.8123.2114.1-83.50000113.2
350A31.4Very low29.9Very low95 Ų95120.3 Ų120.379%0.78578%0.775SS**  trans-141.6149.3158.400000105.8
351P38.9Very low29.7Very low117 Ų117124.6 Ų124.676%0.7678%0.781SS**  -155.1-172.182.941.3-22.1000115.8
352S28.8Very low29.4Very low91 Ų91123.8 Ų123.864%0.63678%0.78SS**  trans78.6141.7152.4-69.60000119.4
353Q30.2Very low29.4Very low176 Ų176121.4 Ų121.482%0.82277%0.773SS**  cis-153.6172.2-17.8-131.4170.786.200113
354V28.3Very low29.3Very low95 Ų95121.7 Ų121.758%0.57677%0.769SS**  trans-110.1163.9-160.2-76.10000114.2I356V354-I356 HydrophobicContact CB-CD1 4.38Å; V354-I356 HydrophobicContact CB-CG1 4.26Å; V354-I356 HydrophobicContact CG2-CD1 3.57Å; V354-I356 HydrophobicContact CG2-CG1 3.96Å
355H24.7Very low30.3Very low185 Ų185122.7 Ų122.786%0.85676%0.76SS**  trans-139.3127.7137.5-80-86.8000106.9
356I30Very low30.6Very low112 Ų112125.1 Ų125.157%0.57476%0.762SS**  cis75126.937.5-53.6175.1000109.7V354V354-I356 HydrophobicContact CB-CD1 4.38Å; V354-I356 HydrophobicContact CB-CG1 4.26Å; V354-I356 HydrophobicContact CG2-CD1 3.57Å; V354-I356 HydrophobicContact CG2-CG1 3.96Å
357C27Very low31.4Very low118 Ų118121.5 Ų121.580%0.79775%0.75SS**  cis-124.7162.739.5-50.80000114.9
358T32.9Very low31.7Very low108 Ų108122.2 Ų122.266%0.66376%0.755SS**  cis82.7135.120.8-51.40000113.7
359T32.3Very low32.1Very low128 Ų128122.5 Ų122.579%0.78576%0.758SS**  cis-102.8-121.28.3-39.80000113.7
360G30.3Very low33.5Very low66 Ų66121.8 Ų121.868%0.6875%0.75SS**  cis-148.8172.88.500000113.2
361L31.5Very low33.3Very low161 Ų161123.5 Ų123.584%0.84375%0.751SS**  trans-154.9-179.6-159.9-80.5172.5000114.3
362I28.7Very low32.9Very low161 Ų161123 Ų12383%0.82675%0.746SS**  trans85.9140.9171.7-51.4172.5000114.1
363V29Very low33.1Very low115 Ų115124.9 Ų124.970%0.69775%0.753SS**  cis169.8157.9-41146.20000107.8
364T28.5Very low33.1Very low135 Ų135119.9 Ų119.983%0.82874%0.743SS**  trans74157.8171.335.20000119.5
365P48.6Very low33.3Very low107 Ų107121.7 Ų121.770%0.69575%0.754SS**  trans-114.6179.5-16044.2-35.8000115.1
366P38.3Very low33.5Very low127 Ų127118.5 Ų118.583%0.82575%0.747SS**  trans-113.2130.1169.236.7-25.8000114.7
367P43.7Very low33.4Very low110 Ų110122.1 Ų122.171%0.71476%0.759SS**  trans-118160.514636.8-28.9000112.2
368S29.9Very low33.4Very low122 Ų122122.3 Ų122.385%0.85376%0.757SS**  trans76.4145.6162.9-54.30000120.2
369S34.4Very low33.5Very low116 Ų116126.5 Ų126.581%0.81177%0.766SS**  trans-84.7-165.2176.3-25.60000111.5
370P55.6Low34Very low112 Ų112125.7 Ų125.773%0.72776%0.763SS**  cis-148.3-153.725.639.7-13.9000116.3
371V27.6Very low34.2Very low131 Ų131127.4 Ų127.479%0.79476%0.764SS**  trans80.1137.7149.6151.80000119.5
372T31Very low34.2Very low107 Ų107127 Ų12766%0.65676%0.758SS**  cis-165.7167-31.5-34.90000110.5
373T32.2Very low34.3Very low130 Ų130124.7 Ų124.780%0.79875%0.752SS**  trans77.4135.5150.9-48.20000115.9
374A30.9Very low34.4Very low72 Ų72124.4 Ų124.460%0.59576%0.755SS**  cis-159149.841.100000116.4
375T31.7Very low34.6Very low132 Ų132128 Ų12881%0.8176%0.755SS**  trans61.1146.3142.553.70000120.9
376V28.9Very low33.7Very low119 Ų119128.1 Ų128.172%0.72175%0.754SS**  cis-159.5136.46.5112.20000112.8
377F28Very low33.4Very low188 Ų188126.4 Ų126.483%0.82575%0.745SS**  trans61.1143.1151.2-86.4-108.4000127.5
378T28.2Very low32.9Very low122 Ų122129.3 Ų129.375%0.74875%0.753SS**  trans87.5121.1146.5-54.80000121.6
379F33.8Very low33.1Very low196 Ų196127.3 Ų127.386%0.8674%0.743SS**  trans-100.6165.9166.4-77.3-83.7000109.3
380P44.1Very low33Very low110 Ų110129 Ų12971%0.71474%0.743SS**  cis-156.1-179.341.345-23000120.2
381S34.5Very low31.8Very low102 Ų102130.8 Ų130.871%0.71375%0.746SS**  trans68.9125.1137.1-77.30000125.6
382E31.4Very low32Very low153 Ų153128.5 Ų128.572%0.71574%0.741SS**  trans77.6122.5132-60.6-5490.300124.8
383T30Very low32.5Very low113 Ų113131.5 Ų131.569%0.69375%0.752SS**  trans49.7138.4141.267.30000121.1
384S32.3Very low33.1Very low109 Ų109131.2 Ų131.276%0.76275%0.752SS**  -177.5136.360.237.30000115.6
385Y31.3Very low34Very low210 Ų210133.1 Ų133.182%0.82476%0.759SS**  trans63145.8130.1-133-116.7000125.9
386T30.3Very low34.5Very low110 Ų110132.4 Ų132.468%0.67576%0.756SS**  trans68.2149.3158.831.90000121.4
387S31.4Very low35.1Very low91 Ų91132.6 Ų132.664%0.63676%0.76SS**  cis173.5157.5-38-97.50000110.9
388I33.4Very low35.9Very low170 Ų170129.2 Ų129.287%0.87276%0.757SS**  trans68.8141.7160.7-64.2151.7000115.4
389A34.3Very low36.6Very low80 Ų80129 Ų12966%0.66176%0.758SS**  cis-168-159.4-22.900000106.8
390L32.3Very low36.9Very low153 Ų153125.5 Ų125.580%0.80175%0.754SS**  cis-161.1164.93.6-164.861.9000110.5
391D30.3Very low36.4Very low149 Ų149126.3 Ų126.380%0.79776%0.76SS**  trans86.6154.7144.8-123-33.3000123.5
392A32Very low37.1Very low83 Ų83130.8 Ų130.869%0.68677%0.77SS**  trans75.572.4172.700000119.8
393L42.2Very low37Very low170 Ų170128 Ų12889%0.8977%0.773SS**  trans-147.3148.6151.2-79-176.2000111.9
394P43.5Very low37.7Very low123 Ų123128.3 Ų128.380%0.79978%0.776SS**  trans-130.6163.5136.827.7-11.3000113.7
395P49.9Very low37.5Very low113 Ų113128.9 Ų128.973%0.73478%0.775SS**  trans-117.5172.7-152.742.5-33.8000116.1
396P41.5Very low37.4Very low117 Ų117124.3 Ų124.376%0.7677%0.774SS**PPolyproline II helixtrans-72.2154.2158.332.3-35.1000112.3
397P42.9Very low37.3Very low122 Ų122123 Ų12379%0.79278%0.782SS**PPolyproline II helixtrans-84.5160.8-171.233.3-36.9000115.5
398P45Very low37.2Very low117 Ų117123.5 Ų123.576%0.7679%0.792SS**PPolyproline II helixtrans-87.4166.5-179.536.5-37.3000114.4
399P42.9Very low37.1Very low118 Ų118120.1 Ų120.177%0.76679%0.789SS**PPolyproline II helixtrans-78.9152.4173.633-35.9000113.5
400P39.4Very low37Very low122 Ų122126.9 Ų126.979%0.79280%0.799SS**PPolyproline II helixtrans-75.8160.8170.832.3-34.8000112.8
401P33.6Very low37.3Very low127 Ų127124.4 Ų124.483%0.82580%0.795SS**PPolyproline II helixtrans-91.6160.1-161.435.5-37.7000116.1
402Q48.8Very low37.2Very low197 Ų197125.4 Ų125.492%0.92180%0.799SS**  trans-113130156.7-72.8-173.3-24.800110
403A30Very low37.4Very low95 Ų95125.6 Ų125.679%0.78580%0.801SS**  trans-173.4161.8164.300000109.9
404P44.2Very low36.9Very low118 Ų118122.6 Ų122.677%0.76680%0.801SS**  cis-116.3-171.8-14.829.2-6.5000109.9
405V27.3Very low36.3Very low121 Ų121120.1 Ų120.173%0.73380%0.797SS**  cis-150.2155.830.6-79.10000113.3
406S30.5Very low35.1Very low115 Ų115124.3 Ų124.380%0.80481%0.807SS**  trans46.7106.2146-56.80000120.3
407G27.1Very low34.8Very low82 Ų82130.3 Ų130.385%0.84581%0.814SS**  trans-88.4-175.2154.200000112.9
408A30.5Very low35Very low102 Ų102130.2 Ų130.284%0.84381%0.814SS**  trans-153.4155.7161.100000108.7
409A30.7Very low33.9Very low98 Ų98129.8 Ų129.881%0.8181%0.813SS**  trans-128.9120.6179.100000111.3
410Y32Very low34.2Very low222 Ų222129.8 Ų129.887%0.87181%0.813SS**  trans-163.4157.2151.348.8-98.9000110.9
411S38.1Very low33.7Very low101 Ų101128.4 Ų128.471%0.70681%0.807SS**  trans-81.1151.1179.5-50.40000112
412L30.2Very low34Very low170 Ų170130.1 Ų130.189%0.8981%0.807SS**  177.8147.7109.3-93.3165.8000113.9
413A35.1Very low33Very low87 Ų87126 Ų12672%0.71980%0.8SS**  trans22.5126.9155.500000123.1
414A31.1Very low33.1Very low108 Ų108128 Ų12889%0.89380%0.798SS**  trans72.2141.9137.500000121.3
415G30.8Very low32.6Very low70 Ų70131.1 Ų131.172%0.72280%0.802SS**  trans107.598.7147.600000118.3
416Q26.4Very low32.9Very low202 Ų202130.4 Ų130.494%0.94480%0.802SS**  trans60.2130143.2-57.2-176.71.100121.7
417R34.3Very low33.1Very low243 Ų243128.5 Ų128.592%0.91780%0.801SS**  trans-49.8141.4161.2-177.4-179.8-163-175.46.6111.7
418P46.2Very low33.6Very low119 Ų119136.5 Ų136.577%0.77381%0.806SS**  -135.5178.459.438.7-19.5000114
419S23.6Very low34.5Very low108 Ų108140.1 Ų140.176%0.75581%0.805SS**  -164.7179.458.159.20000113.1
420P48.4Very low35.7Very low118 Ų118145.4 Ų145.477%0.76680%0.804SS**  trans-95-173.2179.543.3-37.2000111.3
421S28.5Very low37.1Very low93 Ų93137.5 Ų137.565%0.6578%0.78SS**  cis-164.2149.220.551.80000113.1
422I40.3Very low39.2Very low164 Ų164134.9 Ų134.984%0.84176%0.759SS**  trans62.7123.6150-63.3162.1000115.8
423S27.6Very low42.2Very low110 Ų110127.8 Ų127.877%0.76972%0.723SS**  -157.2163.155.846.90000116.2
424D32.9Very low45Very low137 Ų137124.4 Ų124.473%0.73369%0.692SS**  trans28116155.3-126.1-51.5000122.9
425Q33.3Very low48Very low183 Ų183121 Ų12186%0.85566%0.66SS**  -169.5163.7112-109.3168.29300115.2
426S33.5Very low51.1Low106 Ų106117.7 Ų117.774%0.74163%0.626SS**  trans-65.7150.4-17156.50000115.8R428S426-R428 PolarHBondContact O-N 3.47Å
427G35Very low54.3Low75 Ų75112.1 Ų112.177%0.77360%0.601SS**  trans-70.1118.9-175.500000114.1Q429G427-Q429 PolarHBondContact O-N 2.83Å
428R37.2Very low57.1Low251 Ų251105.8 Ų105.895%0.94758%0.58SS**  trans-66.593.9172.9-75.3-175166.9-150.3-3.7112.1S426 R430S426-R428 PolarHBondContact O-N 3.47Å; R428-R430 PolarHBondContact O-N 2.94Å
429Q48.5Very low59.4Low177 Ų177104.3 Ų104.383%0.82757%0.571SS**PPolyproline II helixtrans-52.6129.6161.2-76.8-75.6-900109.8G427 P431G427-Q429 PolarHBondContact O-N 2.83Å; Q429-P431 WeakPolarHBondContact O-CD 3.27Å
430R56.3Low62.7Low210 Ų210100.5 Ų100.579%0.79254%0.54SS*.PPolyproline II helixtrans-73.4125.4175.9-106.8176.3170.4157.3-3.4109R428 T432R428-R430 PolarHBondContact O-N 2.94Å; R430-T432 PolarHBondContact O-N 3.4Å; R430-T432 PolarHBondContact O-OG1 2.89Å
431P61.8Low64.9Low55 Ų55100 Ų10036%0.35754%0.535SS..PPolyproline II helixtrans-53134.2177.4-28.936.8000111.7Q429 L457 L459Q429-P431 WeakPolarHBondContact O-CD 3.27Å; P431-L457 HydrophobicContact CB-CD1 3.79Å; P431-L457 HydrophobicContact CB-CD2 3.91Å; P431-L457 HydrophobicContact CB-CG 3.65Å; P431-L459 HydrophobicContact CB-CD2 4.12Å; P431-L459 HydrophobicContact CG-CD2 3.96Å
432T81.7Confident68Low46 Ų4697.9 Ų97.928%0.28252%0.519SS..EExtended strand (participates in β ladder)trans-103.6132.9-170.4-48.40000110.2R430 Y434 V458 P487R430-T432 PolarHBondContact O-N 3.4Å; R430-T432 PolarHBondContact O-OG1 2.89Å; T432-Y434 HydrophobicContact CG2-CD2 4.12Å; T432-Y434 HydrophobicContact CG2-CE2 3.8Å; T432-V458 PolarHBondContact N-O 3.37Å; T432-V458 PolarHBondContact O-N 2.83Å; T432-P487 HydrophobicContact CG2-CB 4.22Å
433V93.3Very high70.2Confident22 Ų22100.3 Ų100.313%0.13352%0.517CS..EExtended strand (participates in β ladder)trans-76.8124.7177.4-177.30000109.4M455 F456 L457 M472 V488V433-M455 HydrophobicContact CG1-CB 3.93Å; V433-M455 HydrophobicContact CG1-CG 4.18Å; V433-M455 HydrophobicContact CG1-SD 3.98Å; V433-F456 CarbonylContact C-O 3.59Å; V433-F456 WeakPolarHBondContact CA-O 3.5Å; V433-L457 HydrophobicContact CG2-CD1 3.87Å; V433-M472 HydrophobicContact CG1-SD 3.8Å; V433-M472 HydrophobicContact CG2-SD 4.05Å; V433-V488 HydrophobicContact CG1-CB 4.42Å; V433-V488 HydrophobicContact CG1-CG2 4.16Å; V433-V488 PolarHBondContact O-N 3.32Å
434Y94.1Very high73.2Confident16 Ų16100.3 Ų100.36%0.06350%0.503CS..EExtended strand (participates in β ladder)trans-115.7141.7173.6-86.3-132.1000109.3T432 M455 F456 V458 F467 M485 S486 P487T432-Y434 HydrophobicContact CG2-CD2 4.12Å; T432-Y434 HydrophobicContact CG2-CE2 3.8Å; Y434-M455 WeakPolarHBondContact O-CA 3.29Å; Y434-F456 PolarHBondContact N-O 2.82Å; Y434-F456 PolarHBondContact O-N 3.2Å; Y434-V458 HydrophobicContact CD1-CG2 4.42Å; Y434-V458 HydrophobicContact CD2-CG2 4.1Å; Y434-V458 HydrophobicContact CG-CG2 3.85Å; Y434-F467 HydrophobicContact CD1-CD2 4.34Å; Y434-F467 AromaticContact CD1-CE2 3.82Å; Y434-F467 HydrophobicContact CD1-CE2 3.82Å; Y434-F467 HydrophobicContact CE1-CE2 4.15Å; Y434-M485 HydrophobicContact CD1-CB 3.77Å; Y434-M485 HydrophobicContact CG-CB 4.34Å; Y434-S486 CarbonylContact C-O 3.47Å; Y434-S486 VanDerWaalsContact CA-O 3.26Å; Y434-S486 WeakPolarHBondContact CA-O 3.33Å; Y434-P487 VanDerWaalsContact CD1-CD 3.48Å; Y434-P487 HydrophobicContact CD1-CG 4.3Å; Y434-P487 VanDerWaalsContact CD1-N 3.3Å; Y434-P487 HydrophobicContact CD2-CB 3.95Å; Y434-P487 HydrophobicContact CE1-CB 3.64Å; Y434-P487 HydrophobicContact CE1-CG 2.91Å; Y434-P487 HydrophobicContact CE2-CB 2.59Å; Y434-P487 HydrophobicContact CE2-CG 3.38Å; Y434-P487 VanDerWaalsContact CE2-N 3.34Å; Y434-P487 WeakPolarHBondContact OH-CA 3.5Å; Y434-P487 WeakPolarHBondContact OH-CB 3.37Å; Y434-P487 WeakPolarHBondContact OH-CD 3.25Å; Y434-P487 WeakPolarHBondContact OH-CG 3.41Å; Y434-P487 PolarHBondContact OH-O 2.77Å
435V95.2Very high75.9Confident35 Ų35103.5 Ų103.521%0.21251%0.514CS..EExtended strand (participates in β ladder)trans-103.2139.2176.263.70000110.7M437 E454 M485 S486 V488V435-M437 HydrophobicContact CG1-SD 4.25Å; V435-M437 PolarHBondContact O-N 2.79Å; V435-E454 WeakPolarHBondContact CA-O 3.36Å; V435-M485 WeakPolarHBondContact O-CA 3.45Å; V435-S486 PolarHBondContact N-O 3.41Å; V435-S486 PolarHBondContact O-N 2.91Å; V435-V488 HydrophobicContact CB-CG2 3.9Å; V435-V488 HydrophobicContact CG1-CG2 3.99Å
436A95.6Very high78.6Confident2 Ų298.4 Ų98.42%0.01749%0.493CS..EExtended strand (participates in β ladder)trans-73.8117.317900000111.3L450 R451 K452 G453 E454 F456 M485A436-L450 HydrophobicContact CB-CB 4.19Å; A436-R451 VanDerWaalsContact CB-O 3.24Å; A436-R451 WeakPolarHBondContact CB-O 3.5Å; A436-K452 CarbonylContact O-C 3.58Å; A436-K452 WeakPolarHBondContact O-CA 3.3Å; A436-G453 PolarHBondContact O-N 3.18Å; A436-E454 PolarHBondContact N-O 2.82Å; A436-F456 HydrophobicContact CB-CE2 4.13Å; A436-M485 HydrophobicContact CB-CE 3.54Å; A436-M485 VanDerWaalsContact N-CE 3.29Å
437M94.1Very high81.5Confident84 Ų8494.2 Ų94.241%0.41446%0.461SS..SBendtrans-80.8-26.7176.8-60.1-54.9-65.200112V435 K452 Y484 S486V435-M437 HydrophobicContact CG1-SD 4.25Å; V435-M437 PolarHBondContact O-N 2.79Å; M437-K452 VanDerWaalsContact O-CD 3.26Å; M437-K452 WeakPolarHBondContact O-CD 3.4Å; M437-K452 VanDerWaalsContact O-CE 3.24Å; M437-K452 WeakPolarHBondContact O-CE 3.4Å; M437-K452 WeakPolarHBondContact O-CG 2.99Å; M437-Y484 PolarHBondContact N-O 2.88Å; M437-S486 VanDerWaalsContact SD-CB 3.58Å
438F91.9Very high84.3Confident111 Ų11191.1 Ų91.149%0.48743%0.427SS..SBendtrans-139.7151.2-177.5-54.1-74.3000110.1Y484F438-Y484 HydrophobicContact CB-CD1 3.61Å; F438-Y484 HydrophobicContact CB-CE1 3.91Å; F438-Y484 HydrophobicContact CB-CG 4.24Å
439P94.4Very high87Confident87 Ų8783 Ų8357%0.56540%0.4SS*.  trans-75.5149174.533-34.3000111.4L450 Y484P439-L450 CarbonylContact C-O 3.53Å; P439-L450 VanDerWaalsContact CA-O 3.25Å; P439-L450 WeakPolarHBondContact CA-O 3.47Å; P439-Y484 VanDerWaalsContact O-CE1 3.31Å; P439-Y484 WeakPolarHBondContact O-CE1 3.48Å
440Y93.9Very high89.3Confident28 Ų2874.6 Ų74.611%0.1136%0.36CS..BIsolated β-bridgetrans-138.7122.5175.9-176-100.8000110.2E447 E449 L450 W466 P481 Y484Y440-E447 PolarHBondContact OH-OE2 2.92Å; Y440-E449 WeakPolarHBondContact O-CA 2.97Å; Y440-L450 PolarHBondContact N-O 3.41Å; Y440-L450 PolarHBondContact O-N 3.11Å; Y440-W466 HydrophobicContact CE1-CZ3 4.5Å; Y440-W466 WeakPolarHBondContact OH-CH2 3.47Å; Y440-P481 HydrophobicContact CD1-CG 4.43Å; Y440-P481 HydrophobicContact CD2-CG 3.77Å; Y440-P481 HydrophobicContact CE1-CG 4.34Å; Y440-P481 HydrophobicContact CE2-CG 3.66Å; Y440-P481 HydrophobicContact CG-CG 4.17Å; Y440-Y484 HydrophobicContact CD2-CD1 4.49Å; Y440-Y484 HydrophobicContact CD2-CE1 4.2Å
441T94.7Very high91Very high107 Ų10769.1 Ų69.166%0.65634%0.34SS*.  trans-91.4124.3173-52.20000109.1
442P92.5Very high92.5Very high49 Ų4973.7 Ų73.732%0.31835%0.354SS..  trans-67.4137.9-178.229.2-34.3000111E447 E449P442-E447 HydrophobicContact CB-CB 3.57Å; P442-E447 VanDerWaalsContact CB-O 3.31Å; P442-E447 WeakPolarHBondContact CB-O 3.42Å; P442-E449 HydrophobicContact CG-CB 4.47Å
443R87.9Confident92.9Very high215 Ų21573.9 Ų73.981%0.81137%0.366SS*.SBendtrans-102.1-17179.5-59.3-178.4174.1-168.1-3.3112.5E447R443-E447 WeakPolarHBondContact CA-OE2 3.45Å; R443-E447 WeakPolarHBondContact CB-OE2 3.34Å; R443-E447 PolarHBondContact N-OE2 2.92Å
444K90.5Very high92.9Very high110 Ų11074.6 Ų74.648%0.47837%0.368SS..SBendtrans-129.2166.1176.3-60.2-164.4-89.363.20111.3D446 E447K444-D446 VanDerWaalsContact C-N 3.32Å; K444-D446 WeakPolarHBondContact CB-OD1 3.3Å; K444-D446 IonicContact NZ-OD1 3.55Å; K444-D446 PolarHBondContact NZ-OD1 3.04Å; K444-D446 IonicContact NZ-OD2 2.74Å; K444-D446 PolarHBondContact NZ-OD2 2.78Å; K444-D446 PolarHBondContact O-N 3.48Å; K444-E447 HydrophobicContact CB-CG 4.1Å; K444-E447 VanDerWaalsContact CE-OE1 3.25Å; K444-E447 WeakPolarHBondContact CE-OE1 3.39Å; K444-E447 PolarHBondContact N-OE2 2.89Å; K444-E447 IonicContact NZ-OE1 2.77Å; K444-E447 PolarHBondContact NZ-OE1 2.89Å; K444-E447 PolarHBondContact O-N 3.17Å
445E88.2Confident93Very high205 Ų20578 Ų7896%0.95839%0.385SS*.THydrogen-bonded Turntrans-72.7-22.1-179.265.5-173.7164.800114.2E447E445-E447 VanDerWaalsContact C-N 3.33Å
446D91.1Very high93Very high75 Ų7576.3 Ų76.340%0.40138%0.375SS..THydrogen-bonded Turntrans-80.3-13.817362.8-55000113.1K444 G478 V479K444-D446 VanDerWaalsContact C-N 3.32Å; K444-D446 WeakPolarHBondContact CB-OD1 3.3Å; K444-D446 IonicContact NZ-OD1 3.55Å; K444-D446 PolarHBondContact NZ-OD1 3.04Å; K444-D446 IonicContact NZ-OD2 2.74Å; K444-D446 PolarHBondContact NZ-OD2 2.78Å; K444-D446 PolarHBondContact O-N 3.48Å; D446-G478 CarbonylContact O-C 3.52Å; D446-G478 VanDerWaalsContact O-CA 3.23Å; D446-G478 WeakPolarHBondContact O-CA 3.31Å; D446-V479 PolarHBondContact O-N 2.59Å; D446-V479 WeakPolarHBondContact OD2-CG2 3.45Å
447E94.9Very high93Very high19 Ų1978.7 Ų78.79%0.08939%0.387CS..BIsolated β-bridgetrans-88.6144.7-174.9-69.5170.5-164.400112.7Y440 P442 R443 K444 E445 W466 V479Y440-E447 PolarHBondContact OH-OE2 2.92Å; P442-E447 HydrophobicContact CB-CB 3.57Å; P442-E447 VanDerWaalsContact CB-O 3.31Å; P442-E447 WeakPolarHBondContact CB-O 3.42Å; R443-E447 WeakPolarHBondContact CA-OE2 3.45Å; R443-E447 WeakPolarHBondContact CB-OE2 3.34Å; R443-E447 PolarHBondContact N-OE2 2.92Å; K444-E447 HydrophobicContact CB-CG 4.1Å; K444-E447 VanDerWaalsContact CE-OE1 3.25Å; K444-E447 WeakPolarHBondContact CE-OE1 3.39Å; K444-E447 PolarHBondContact N-OE2 2.89Å; K444-E447 IonicContact NZ-OE1 2.77Å; K444-E447 PolarHBondContact NZ-OE1 2.89Å; K444-E447 PolarHBondContact O-N 3.17Å; E445-E447 VanDerWaalsContact C-N 3.33Å; E447-W466 HydrophobicContact CG-CH2 4.23Å; E447-W466 HydrophobicContact CG-CZ3 3.9Å; E447-V479 CarbonylContact C-O 3.38Å; E447-V479 VanDerWaalsContact CA-O 3.25Å; E447-V479 WeakPolarHBondContact CA-O 3.3Å; E447-V479 HydrophobicContact CG-CG2 3.94Å
448L93.4Very high93Very high9 Ų974.9 Ų74.95%0.04737%0.369CS..  trans-105.1136.9-176.2-164.161000111.5L450 F456 K476 V479 F480L448-L450 PolarHBondContact O-N 3.43Å; L448-F456 HydrophobicContact CD2-CD1 3.7Å; L448-F456 HydrophobicContact CD2-CE1 3.69Å; L448-F456 HydrophobicContact CG-CE1 4.08Å; L448-K476 HydrophobicContact CD1-CB 3.66Å; L448-V479 PolarHBondContact N-O 2.96Å; L448-F480 HydrophobicContact CB-CD1 3.88Å; L448-F480 HydrophobicContact CD2-CD1 3.77Å; L448-F480 HydrophobicContact CD2-CE1 3.83Å; L448-F480 HydrophobicContact CG-CD1 4.41Å
449E94.3Very high92.9Very high80 Ų8073.9 Ų73.937%0.37437%0.368SS..  trans-64.3125.1171-176.1178.7-126.300110.5Y440 P442 R451 F456Y440-E449 WeakPolarHBondContact O-CA 2.97Å; P442-E449 HydrophobicContact CG-CB 4.47Å; E449-R451 HydrophobicContact CG-CG 4.2Å; E449-R451 IonicContact OE2-CZ 3.36Å; E449-R451 IonicContact OE2-NE 2.73Å; E449-R451 PolarHBondContact OE2-NE 2.61Å; E449-R451 IonicContact OE2-NH2 3.71Å; E449-R451 PolarHBondContact OE2-NH2 3.46Å; E449-F456 WeakPolarHBondContact O-CE1 3.36Å; E449-F456 WeakPolarHBondContact O-CZ 3.36Å
450L95.3Very high92.7Very high1 Ų174.1 Ų74.11%0.00536%0.361CS..BIsolated β-bridgetrans-99.8137.6165.1-56.3-178.5000109.2A436 P439 Y440 L448 F456 F480 Y484 M485A436-L450 HydrophobicContact CB-CB 4.19Å; P439-L450 CarbonylContact C-O 3.53Å; P439-L450 VanDerWaalsContact CA-O 3.25Å; P439-L450 WeakPolarHBondContact CA-O 3.47Å; Y440-L450 PolarHBondContact N-O 3.41Å; Y440-L450 PolarHBondContact O-N 3.11Å; L448-L450 PolarHBondContact O-N 3.43Å; L450-F456 HydrophobicContact CD2-CD1 3.85Å; L450-F456 HydrophobicContact CD2-CD2 4Å; L450-F456 HydrophobicContact CD2-CE1 3.56Å; L450-F456 HydrophobicContact CD2-CE2 3.73Å; L450-F456 HydrophobicContact CD2-CG 4.08Å; L450-F456 HydrophobicContact CD2-CZ 3.53Å; L450-F480 HydrophobicContact CD1-CB 4.07Å; L450-F480 HydrophobicContact CD1-CD2 4.48Å; L450-F480 HydrophobicContact CD2-CB 3.85Å; L450-F480 HydrophobicContact CD2-CD1 4.34Å; L450-F480 HydrophobicContact CD2-CD2 4.06Å; L450-F480 HydrophobicContact CD2-CG 3.82Å; L450-F480 HydrophobicContact CG-CB 3.96Å; L450-F480 HydrophobicContact CG-CG 4.45Å; L450-Y484 HydrophobicContact CD1-CD1 4.49Å; L450-Y484 HydrophobicContact CD1-CG 4.41Å; L450-M485 HydrophobicContact CD1-CE 4.17Å; L450-M485 HydrophobicContact CD1-CG 4.32Å; L450-M485 HydrophobicContact CD2-CE 3.86Å; L450-M485 HydrophobicContact CD2-SD 4.11Å
451R92.8Very high92.5Very high96 Ų9678.5 Ų78.536%0.36238%0.377SS..  trans-124.8130.5171.6-67.3157.7178.1-176.98.2108.7A436 E449 G453 E454 H473A436-R451 VanDerWaalsContact CB-O 3.24Å; A436-R451 WeakPolarHBondContact CB-O 3.5Å; E449-R451 HydrophobicContact CG-CG 4.2Å; E449-R451 IonicContact OE2-CZ 3.36Å; E449-R451 IonicContact OE2-NE 2.73Å; E449-R451 PolarHBondContact OE2-NE 2.61Å; E449-R451 IonicContact OE2-NH2 3.71Å; E449-R451 PolarHBondContact OE2-NH2 3.46Å; R451-G453 PolarHBondContact O-N 3.44Å; R451-G453 VanDerWaalsContact O-N 3.16Å; R451-E454 HydrophobicContact CB-CB 4.43Å; R451-E454 HydrophobicContact CB-CG 4.04Å; R451-E454 VanDerWaalsContact CD-CD 3.44Å; R451-E454 WeakPolarHBondContact CD-OE1 3.47Å; R451-E454 IonicContact CZ-OE1 3.66Å; R451-E454 IonicContact NE-OE1 3.86Å; R451-E454 IonicContact NH1-OE1 2.73Å; R451-E454 PolarHBondContact NH1-OE1 3.14Å; R451-E454 WeakPolarHBondContact O-CB 3.29Å; R451-E454 PolarHBondContact O-N 3.22Å; R451-H473 PolarHBondContact NH1-CD2 3.1Å; R451-H473 PolarHBondContact NH1-NE2 3.23Å; R451-H473 VanDerWaalsContact NH1-NE2 3.11Å
452K93Very high92Very high150 Ų15075.3 Ų75.365%0.65236%0.359SS*.THydrogen-bonded Turntrans-54.2121.5-175.9-178.9169.9-176.1173.70111.2A436 M437A436-K452 CarbonylContact O-C 3.58Å; A436-K452 WeakPolarHBondContact O-CA 3.3Å; M437-K452 VanDerWaalsContact O-CD 3.26Å; M437-K452 WeakPolarHBondContact O-CD 3.4Å; M437-K452 VanDerWaalsContact O-CE 3.24Å; M437-K452 WeakPolarHBondContact O-CE 3.4Å; M437-K452 WeakPolarHBondContact O-CG 2.99Å
453G89.8Confident91.1Very high51 Ų5183 Ų8353%0.52639%0.391SS..THydrogen-bonded Turntrans95.5-14.7-176.400000115.6A436 R451A436-G453 PolarHBondContact O-N 3.18Å; R451-G453 PolarHBondContact O-N 3.44Å; R451-G453 VanDerWaalsContact O-N 3.16Å
454E94.4Very high90.6Very high37 Ų3778.2 Ų78.217%0.17338%0.381CS..  trans-74.4150.7174.6-75.2-171.7-166.800112.1V435 A436 R451 F456 H473V435-E454 WeakPolarHBondContact CA-O 3.36Å; A436-E454 PolarHBondContact N-O 2.82Å; R451-E454 HydrophobicContact CB-CB 4.43Å; R451-E454 HydrophobicContact CB-CG 4.04Å; R451-E454 VanDerWaalsContact CD-CD 3.44Å; R451-E454 WeakPolarHBondContact CD-OE1 3.47Å; R451-E454 IonicContact CZ-OE1 3.66Å; R451-E454 IonicContact NE-OE1 3.86Å; R451-E454 IonicContact NH1-OE1 2.73Å; R451-E454 PolarHBondContact NH1-OE1 3.14Å; R451-E454 WeakPolarHBondContact O-CB 3.29Å; R451-E454 PolarHBondContact O-N 3.22Å; E454-F456 HydrophobicContact CB-CE2 3.69Å; E454-F456 HydrophobicContact CB-CZ 4.27Å; E454-F456 WeakPolarHBondContact O-CD2 3.48Å; E454-H473 HydrophobicContact CG-CB 4.35Å; E454-H473 IonicContact OE1-CD2 3.03Å; E454-H473 PolarHBondContact OE1-CD2 3.04Å; E454-H473 IonicContact OE1-CG 3.57Å; E454-H473 IonicContact OE1-NE2 3.73Å; E454-H473 WeakPolarHBondContact OE2-CB 3.46Å; E454-H473 IonicContact OE2-CD2 3.51Å; E454-H473 IonicContact OE2-CG 3.74Å
455M94.6Very high90.5Very high87 Ų8774.8 Ų74.843%0.42938%0.377SS..EExtended strand (participates in β ladder)trans-100.9142.4-179.2-66.5-173.8-66.100112.1V433 Y434 M472V433-M455 HydrophobicContact CG1-CB 3.93Å; V433-M455 HydrophobicContact CG1-CG 4.18Å; V433-M455 HydrophobicContact CG1-SD 3.98Å; Y434-M455 WeakPolarHBondContact O-CA 3.29Å; M455-M472 HydrophobicContact CB-CB 4.3Å; M455-M472 HydrophobicContact CB-CG 4.32Å; M455-M472 HydrophobicContact CB-SD 3.79Å; M455-M472 VanDerWaalsContact O-CB 3.24Å; M455-M472 WeakPolarHBondContact O-CB 3.36Å; M455-M472 WeakPolarHBondContact O-CG 3.47Å; M455-M472 PolarHBondContact O-N 3.33Å
456F95.8Very high90.7Very high0 Ų068.3 Ų68.30%034%0.344CS..EExtended strand (participates in β ladder)trans-133.7135.6-176.2-66.1-101.5000109.3V433 Y434 A436 L448 E449 L450 E454 V458 T470 F480 M485V433-F456 CarbonylContact C-O 3.59Å; V433-F456 WeakPolarHBondContact CA-O 3.5Å; Y434-F456 PolarHBondContact N-O 2.82Å; Y434-F456 PolarHBondContact O-N 3.2Å; A436-F456 HydrophobicContact CB-CE2 4.13Å; L448-F456 HydrophobicContact CD2-CD1 3.7Å; L448-F456 HydrophobicContact CD2-CE1 3.69Å; L448-F456 HydrophobicContact CG-CE1 4.08Å; E449-F456 WeakPolarHBondContact O-CE1 3.36Å; E449-F456 WeakPolarHBondContact O-CZ 3.36Å; L450-F456 HydrophobicContact CD2-CD1 3.85Å; L450-F456 HydrophobicContact CD2-CD2 4Å; L450-F456 HydrophobicContact CD2-CE1 3.56Å; L450-F456 HydrophobicContact CD2-CE2 3.73Å; L450-F456 HydrophobicContact CD2-CG 4.08Å; L450-F456 HydrophobicContact CD2-CZ 3.53Å; E454-F456 HydrophobicContact CB-CE2 3.69Å; E454-F456 HydrophobicContact CB-CZ 4.27Å; E454-F456 WeakPolarHBondContact O-CD2 3.48Å; F456-V458 PolarHBondContact O-N 2.86Å; F456-T470 CarbonylContact C-O 3.54Å; F456-T470 WeakPolarHBondContact CA-O 3.39Å; F456-F480 HydrophobicContact CB-CZ 4.11Å; F456-F480 HydrophobicContact CD1-CE1 4.23Å; F456-F480 HydrophobicContact CD1-CZ 4.5Å; F456-M485 HydrophobicContact CB-CE 4.36Å; F456-M485 HydrophobicContact CB-SD 4.01Å; F456-M485 HydrophobicContact CD2-CE 3.66Å; F456-M485 HydrophobicContact CD2-SD 4.32Å; F456-M485 HydrophobicContact CE2-CE 4.3Å; F456-M485 HydrophobicContact CG-CE 4.16Å; F456-M485 HydrophobicContact CG-SD 4.23Å
457L95.4Very high90.8Very high51 Ų5166 Ų6627%0.26733%0.331SS..EExtended strand (participates in β ladder)trans-89.4103.8175.9-167.469.9000108.8P431 V433 L459 G469 T470P431-L457 HydrophobicContact CB-CD1 3.79Å; P431-L457 HydrophobicContact CB-CD2 3.91Å; P431-L457 HydrophobicContact CB-CG 3.65Å; V433-L457 HydrophobicContact CG2-CD1 3.87Å; L457-L459 PolarHBondContact O-N 2.75Å; L457-G469 CarbonylContact O-C 3.51Å; L457-G469 WeakPolarHBondContact O-CA 3.42Å; L457-T470 PolarHBondContact N-O 2.76Å; L457-T470 PolarHBondContact O-N 2.87Å
458V93.6Very high90.8Very high5 Ų569.1 Ų69.13%0.0334%0.344CS..EExtended strand (participates in β ladder)trans-75.2117.7178.1178.40000108.9T432 Y434 F456 E460 R461 F467 F480T432-V458 PolarHBondContact N-O 3.37Å; T432-V458 PolarHBondContact O-N 2.83Å; Y434-V458 HydrophobicContact CD1-CG2 4.42Å; Y434-V458 HydrophobicContact CD2-CG2 4.1Å; Y434-V458 HydrophobicContact CG-CG2 3.85Å; F456-V458 PolarHBondContact O-N 2.86Å; V458-E460 WeakPolarHBondContact CG1-O 3.24Å; V458-R461 HydrophobicContact CG1-CG 3.81Å; V458-F467 HydrophobicContact CG1-CB 4.17Å; V458-F467 HydrophobicContact CG1-CD2 4.24Å; V458-F467 HydrophobicContact CG1-CG 4.2Å; V458-F467 HydrophobicContact CG2-CB 4.39Å; V458-F467 HydrophobicContact CG2-CD2 3.92Å; V458-F467 HydrophobicContact CG2-CG 4.49Å; V458-F480 HydrophobicContact CG2-CE2 4.2Å; V458-F480 HydrophobicContact CG2-CZ 4.19Å
459L89.8Confident90.8Very high89 Ų8968.7 Ų68.747%0.46634%0.342SS..EExtended strand (participates in β ladder)trans-94.9-40.9179.3-64.7166.2000110.8P431 L457 K468P431-L459 HydrophobicContact CB-CD2 4.12Å; P431-L459 HydrophobicContact CG-CD2 3.96Å; L457-L459 PolarHBondContact O-N 2.75Å; L459-K468 PolarHBondContact N-O 3.47Å
460E90.6Very high90.8Very high93 Ų9366.4 Ų66.444%0.43533%0.333SS..EExtended strand (participates in β ladder)trans-138.6147.2-174.2-143.2-176.8132.200109.4V458 K468V458-E460 WeakPolarHBondContact CG1-O 3.24Å; E460-K468 HydrophobicContact CB-CB 3.83Å; E460-K468 HydrophobicContact CB-CD 4.19Å; E460-K468 PolarHBondContact N-O 2.85Å; E460-K468 VanDerWaalsContact N-O 3.1Å; E460-K468 PolarHBondContact O-N 2.81Å; E460-K468 VanDerWaalsContact OE2-CD 3.26Å; E460-K468 WeakPolarHBondContact OE2-CD 3.31Å; E460-K468 IonicContact OE2-NZ 3.8Å; E460-K468 PolarHBondContact OE2-NZ 2.91Å
461R90.1Very high90.7Very high119 Ų11966.4 Ų66.445%0.44933%0.333SS..EExtended strand (participates in β ladder)trans-122.8112170.4-62.8-168.8173.395.8-0.6108.3V458 F467V458-R461 HydrophobicContact CG1-CG 3.81Å; R461-F467 HydrophobicContact CB-CD1 3.84Å; R461-F467 HydrophobicContact CB-CE1 3.94Å; R461-F467 HydrophobicContact CG-CD1 3.55Å; R461-F467 HydrophobicContact CG-CE1 3.63Å; R461-F467 HydrophobicContact CG-CG 4.12Å; R461-F467 HydrophobicContact CG-CZ 4.23Å
462C84Confident90.7Very high40 Ų4066.9 Ų66.927%0.2734%0.341SS..  trans-79.3151.4-179.4-55.20000110D464 G465 W466C462-D464 WeakPolarHBondContact CB-OD1 3.2Å; C462-D464 PolarHBondContact O-N 3.43Å; C462-G465 PolarHBondContact O-N 2.84Å; C462-W466 WeakPolarHBondContact CA-O 3.4Å; C462-W466 HydrophobicContact CB-CB 4.43Å; C462-W466 VanDerWaalsContact CB-O 3.27Å; C462-W466 WeakPolarHBondContact CB-O 2.75Å; C462-W466 PolarHBondContact N-O 3.06Å
463Q73.5Confident90.5Very high210 Ų21065.2 Ų65.298%0.98134%0.335SS*.THydrogen-bonded Turntrans-73.6-13.8-170.5-60-179.52000113.5G465Q463-G465 VanDerWaalsContact C-N 3.29Å
464D78.4Confident90.4Very high115 Ų11565.7 Ų65.762%0.61533%0.328SS*.THydrogen-bonded Turntrans-83.30.9173.761.6-5.3000113.6C462 W466C462-D464 WeakPolarHBondContact CB-OD1 3.2Å; C462-D464 PolarHBondContact O-N 3.43Å; D464-W466 PolarHBondContact OD1-N 2.86Å
465G86.9Confident90.3Very high38 Ų3866.5 Ų66.539%0.39235%0.346SS..SBendtrans89.72-179.500000114.9C462 Q463 G482C462-G465 PolarHBondContact O-N 2.84Å; Q463-G465 VanDerWaalsContact C-N 3.29Å; G465-G482 WeakPolarHBondContact O-CA 3.31Å; G465-G482 PolarHBondContact O-N 3.36Å
466W92.3Very high90.1Very high69 Ų6969.1 Ų69.126%0.26136%0.355SS..EExtended strand (participates in β ladder)trans-82.9141.2171.7-70.977.8000111.2Y440 E447 C462 D464 V479 F480 P481Y440-W466 HydrophobicContact CE1-CZ3 4.5Å; Y440-W466 WeakPolarHBondContact OH-CH2 3.47Å; E447-W466 HydrophobicContact CG-CH2 4.23Å; E447-W466 HydrophobicContact CG-CZ3 3.9Å; C462-W466 WeakPolarHBondContact CA-O 3.4Å; C462-W466 HydrophobicContact CB-CB 4.43Å; C462-W466 VanDerWaalsContact CB-O 3.27Å; C462-W466 WeakPolarHBondContact CB-O 2.75Å; C462-W466 PolarHBondContact N-O 3.06Å; D464-W466 PolarHBondContact OD1-N 2.86Å; W466-V479 HydrophobicContact CE3-CB 4.16Å; W466-V479 HydrophobicContact CE3-CG2 3.99Å; W466-V479 HydrophobicContact CZ3-CG2 4.27Å; W466-F480 VanDerWaalsContact CE3-C 3.43Å; W466-P481 HydrophobicContact CE3-CG 4.43Å; W466-P481 HydrophobicContact CH2-CG 4.15Å; W466-P481 HydrophobicContact CZ3-CG 4.07Å
467F94.5Very high90Very high28 Ų2874.6 Ų74.612%0.12338%0.383CS..EExtended strand (participates in β ladder)trans-108.7140173.6-67.2-4.5000109Y434 V458 R461 V479 F480 G482 M485Y434-F467 HydrophobicContact CD1-CD2 4.34Å; Y434-F467 AromaticContact CD1-CE2 3.82Å; Y434-F467 HydrophobicContact CD1-CE2 3.82Å; Y434-F467 HydrophobicContact CE1-CE2 4.15Å; V458-F467 HydrophobicContact CG1-CB 4.17Å; V458-F467 HydrophobicContact CG1-CD2 4.24Å; V458-F467 HydrophobicContact CG1-CG 4.2Å; V458-F467 HydrophobicContact CG2-CB 4.39Å; V458-F467 HydrophobicContact CG2-CD2 3.92Å; V458-F467 HydrophobicContact CG2-CG 4.49Å; R461-F467 HydrophobicContact CB-CD1 3.84Å; R461-F467 HydrophobicContact CB-CE1 3.94Å; R461-F467 HydrophobicContact CG-CD1 3.55Å; R461-F467 HydrophobicContact CG-CE1 3.63Å; R461-F467 HydrophobicContact CG-CG 4.12Å; R461-F467 HydrophobicContact CG-CZ 4.23Å; F467-V479 CarbonylContact O-C 3.52Å; F467-V479 VanDerWaalsContact O-CA 3.31Å; F467-V479 WeakPolarHBondContact O-CA 3.43Å; F467-F480 HydrophobicContact CB-CD2 3.89Å; F467-F480 HydrophobicContact CB-CE2 3.46Å; F467-F480 VanDerWaalsContact CB-CE2 3.46Å; F467-F480 HydrophobicContact CB-CZ 4.13Å; F467-F480 HydrophobicContact CD2-CE2 4.32Å; F467-F480 HydrophobicContact CG-CE2 4.42Å; F467-F480 PolarHBondContact N-O 3.2Å; F467-F480 PolarHBondContact O-N 3.45Å; F467-G482 VanDerWaalsContact CD2-CA 3.49Å; F467-G482 VanDerWaalsContact CE2-CA 3.5Å; F467-M485 HydrophobicContact CD2-CB 4.18Å; F467-M485 HydrophobicContact CD2-CG 4.26Å; F467-M485 HydrophobicContact CE2-CB 4.19Å
468K93.9Very high89.9Confident84 Ų8472.7 Ų72.737%0.36538%0.375SS..EExtended strand (participates in β ladder)trans-107.2130.9174.2-172.9-178.7171.2-172.60108.3L459 E460 G478 V479L459-K468 PolarHBondContact N-O 3.47Å; E460-K468 HydrophobicContact CB-CB 3.83Å; E460-K468 HydrophobicContact CB-CD 4.19Å; E460-K468 PolarHBondContact N-O 2.85Å; E460-K468 VanDerWaalsContact N-O 3.1Å; E460-K468 PolarHBondContact O-N 2.81Å; E460-K468 VanDerWaalsContact OE2-CD 3.26Å; E460-K468 WeakPolarHBondContact OE2-CD 3.31Å; E460-K468 IonicContact OE2-NZ 3.8Å; E460-K468 PolarHBondContact OE2-NZ 2.91Å; K468-G478 WeakPolarHBondContact CA-O 3.17Å; K468-V479 HydrophobicContact CB-CG1 4.07Å; K468-V479 HydrophobicContact CG-CG1 4.1Å
469G93.8Very high89.9Confident0 Ų073.8 Ų73.80%038%0.382CS..EExtended strand (participates in β ladder)trans-170.4179-173.100000114.4L457 I477 G478L457-G469 CarbonylContact O-C 3.51Å; L457-G469 WeakPolarHBondContact O-CA 3.42Å; G469-I477 WeakPolarHBondContact O-CA 3.31Å; G469-G478 PolarHBondContact N-O 2.78Å; G469-G478 PolarHBondContact O-N 3.28Å; G469-G478 VanDerWaalsContact O-N 3.11Å
470T94.4Very high90.2Very high31 Ų3169.5 Ų69.519%0.1936%0.36CS..EExtended strand (participates in β ladder)trans-108.4127.1-178.7-44.20000110.1F456 L457 M472 G475 K476 I477F456-T470 CarbonylContact C-O 3.54Å; F456-T470 WeakPolarHBondContact CA-O 3.39Å; L457-T470 PolarHBondContact N-O 2.76Å; L457-T470 PolarHBondContact O-N 2.87Å; T470-M472 PolarHBondContact O-N 2.98Å; T470-G475 WeakPolarHBondContact CG2-O 3.36Å; T470-K476 CarbonylContact C-O 3.57Å; T470-K476 WeakPolarHBondContact CA-O 3.26Å; T470-I477 HydrophobicContact CG2-CG1 4.08Å
471S93.9Very high90.4Very high1 Ų165.7 Ų65.71%0.00734%0.343CS..EExtended strand (participates in β ladder)trans-63.8122.8168.3171.40000109.4H473 T474 G475 K476S471-H473 PolarHBondContact O-N 2.73Å; S471-H473 PolarHBondContact OG-N 3.12Å; S471-T474 WeakPolarHBondContact CB-OG1 3.18Å; S471-T474 PolarHBondContact OG-N 3.16Å; S471-T474 VanDerWaalsContact OG-N 3.08Å; S471-T474 PolarHBondContact OG-OG1 3.18Å; S471-T474 VanDerWaalsContact OG-OG1 3.05Å; S471-G475 VanDerWaalsContact O-CA 3.29Å; S471-G475 WeakPolarHBondContact O-CA 3.46Å; S471-G475 PolarHBondContact O-N 2.75Å; S471-K476 PolarHBondContact N-O 3.13Å
472M91.9Very high90.5Very high107 Ų10760.4 Ų60.453%0.52733%0.325SS..THydrogen-bonded Turntrans-74.7-13.7176.6-60.2-174.866.100112.5V433 M455 T470V433-M472 HydrophobicContact CG1-SD 3.8Å; V433-M472 HydrophobicContact CG2-SD 4.05Å; M455-M472 HydrophobicContact CB-CB 4.3Å; M455-M472 HydrophobicContact CB-CG 4.32Å; M455-M472 HydrophobicContact CB-SD 3.79Å; M455-M472 VanDerWaalsContact O-CB 3.24Å; M455-M472 WeakPolarHBondContact O-CB 3.36Å; M455-M472 WeakPolarHBondContact O-CG 3.47Å; M455-M472 PolarHBondContact O-N 3.33Å; T470-M472 PolarHBondContact O-N 2.98Å
473H88.8Confident91Very high115 Ų11564.5 Ų64.553%0.53234%0.344SS..THydrogen-bonded Turntrans-87.2-42.5174.7175.552.2000112.6R451 E454 S471R451-H473 PolarHBondContact NH1-CD2 3.1Å; R451-H473 PolarHBondContact NH1-NE2 3.23Å; R451-H473 VanDerWaalsContact NH1-NE2 3.11Å; E454-H473 HydrophobicContact CG-CB 4.35Å; E454-H473 IonicContact OE1-CD2 3.03Å; E454-H473 PolarHBondContact OE1-CD2 3.04Å; E454-H473 IonicContact OE1-CG 3.57Å; E454-H473 IonicContact OE1-NE2 3.73Å; E454-H473 WeakPolarHBondContact OE2-CB 3.46Å; E454-H473 IonicContact OE2-CD2 3.51Å; E454-H473 IonicContact OE2-CG 3.74Å; S471-H473 PolarHBondContact O-N 2.73Å; S471-H473 PolarHBondContact OG-N 3.12Å
474T88Confident91.9Very high60 Ų6058.1 Ų58.137%0.36831%0.312SS..THydrogen-bonded Turntrans-107.6-8.9-173.666.50000114.8S471 K476S471-T474 WeakPolarHBondContact CB-OG1 3.18Å; S471-T474 PolarHBondContact OG-N 3.16Å; S471-T474 VanDerWaalsContact OG-N 3.08Å; S471-T474 PolarHBondContact OG-OG1 3.18Å; S471-T474 VanDerWaalsContact OG-OG1 3.05Å; T474-K476 PolarHBondContact O-N 3.31Å
475G91.3Very high92.6Very high54 Ų5453.2 Ų53.256%0.55729%0.286SS*.  trans69.3-6.4-175.300000115T470 S471T470-G475 WeakPolarHBondContact CG2-O 3.36Å; S471-G475 VanDerWaalsContact O-CA 3.29Å; S471-G475 WeakPolarHBondContact O-CA 3.46Å; S471-G475 PolarHBondContact O-N 2.75Å
476K90.9Very high92.8Very high142 Ų14253.7 Ų53.762%0.61728%0.283SS*.  trans-70.4143.2-179.3-67.5-176176.8-173.90111.5L448 T470 S471 T474L448-K476 HydrophobicContact CD1-CB 3.66Å; T470-K476 CarbonylContact C-O 3.57Å; T470-K476 WeakPolarHBondContact CA-O 3.26Å; S471-K476 PolarHBondContact N-O 3.13Å; T474-K476 PolarHBondContact O-N 3.31Å
477I93Very high92.8Very high116 Ų11654.4 Ų54.460%0.59530%0.297SS*.EExtended strand (participates in β ladder)trans-103.4138174.2-54.7175.3000108.1G469 T470G469-I477 WeakPolarHBondContact O-CA 3.31Å; T470-I477 HydrophobicContact CG2-CG1 4.08Å
478G93.6Very high92.4Very high10 Ų1056 Ų5610%0.10331%0.308CS..EExtended strand (participates in β ladder)trans-172.7-176.1173.800000111.7D446 K468 G469D446-G478 CarbonylContact O-C 3.52Å; D446-G478 VanDerWaalsContact O-CA 3.23Å; D446-G478 WeakPolarHBondContact O-CA 3.31Å; K468-G478 WeakPolarHBondContact CA-O 3.17Å; G469-G478 PolarHBondContact N-O 2.78Å; G469-G478 PolarHBondContact O-N 3.28Å; G469-G478 VanDerWaalsContact O-N 3.11Å
479V94.8Very high91.3Very high28 Ų2857.1 Ų57.117%0.1733%0.327CS..EExtended strand (participates in β ladder)trans-99.8148.1173.6-59.70000111.7D446 E447 L448 W466 F467 K468D446-V479 PolarHBondContact O-N 2.59Å; D446-V479 WeakPolarHBondContact OD2-CG2 3.45Å; E447-V479 CarbonylContact C-O 3.38Å; E447-V479 VanDerWaalsContact CA-O 3.25Å; E447-V479 WeakPolarHBondContact CA-O 3.3Å; E447-V479 HydrophobicContact CG-CG2 3.94Å; L448-V479 PolarHBondContact N-O 2.96Å; W466-V479 HydrophobicContact CE3-CB 4.16Å; W466-V479 HydrophobicContact CE3-CG2 3.99Å; W466-V479 HydrophobicContact CZ3-CG2 4.27Å; F467-V479 CarbonylContact O-C 3.52Å; F467-V479 VanDerWaalsContact O-CA 3.31Å; F467-V479 WeakPolarHBondContact O-CA 3.43Å; K468-V479 HydrophobicContact CB-CG1 4.07Å; K468-V479 HydrophobicContact CG-CG1 4.1Å
480F95.5Very high89.3Confident0 Ų065.9 Ų65.90%036%0.36CS..EExtended strand (participates in β ladder)trans-152.8154.8-178.745-95.9000111.4L448 L450 F456 V458 W466 F467 G482 M485L448-F480 HydrophobicContact CB-CD1 3.88Å; L448-F480 HydrophobicContact CD2-CD1 3.77Å; L448-F480 HydrophobicContact CD2-CE1 3.83Å; L448-F480 HydrophobicContact CG-CD1 4.41Å; L450-F480 HydrophobicContact CD1-CB 4.07Å; L450-F480 HydrophobicContact CD1-CD2 4.48Å; L450-F480 HydrophobicContact CD2-CB 3.85Å; L450-F480 HydrophobicContact CD2-CD1 4.34Å; L450-F480 HydrophobicContact CD2-CD2 4.06Å; L450-F480 HydrophobicContact CD2-CG 3.82Å; L450-F480 HydrophobicContact CG-CB 3.96Å; L450-F480 HydrophobicContact CG-CG 4.45Å; F456-F480 HydrophobicContact CB-CZ 4.11Å; F456-F480 HydrophobicContact CD1-CE1 4.23Å; F456-F480 HydrophobicContact CD1-CZ 4.5Å; V458-F480 HydrophobicContact CG2-CE2 4.2Å; V458-F480 HydrophobicContact CG2-CZ 4.19Å; W466-F480 VanDerWaalsContact CE3-C 3.43Å; F467-F480 HydrophobicContact CB-CD2 3.89Å; F467-F480 HydrophobicContact CB-CE2 3.46Å; F467-F480 VanDerWaalsContact CB-CE2 3.46Å; F467-F480 HydrophobicContact CB-CZ 4.13Å; F467-F480 HydrophobicContact CD2-CE2 4.32Å; F467-F480 HydrophobicContact CG-CE2 4.42Å; F467-F480 PolarHBondContact N-O 3.2Å; F467-F480 PolarHBondContact O-N 3.45Å; F480-G482 PolarHBondContact O-N 2.85Å; F480-M485 HydrophobicContact CD2-CG 3.72Å; F480-M485 HydrophobicContact CD2-SD 3.52Å; F480-M485 VanDerWaalsContact CD2-SD 3.52Å; F480-M485 HydrophobicContact CE2-CG 3.76Å; F480-M485 HydrophobicContact CE2-SD 3.18Å; F480-M485 WeakPolarHBondContact CE2-SD 3.23Å; F480-M485 HydrophobicContact CZ-SD 4.05Å
481P94.8Very high86.5Confident13 Ų1370.8 Ų70.88%0.08439%0.39CS..EExtended strand (participates in β ladder)trans-64122.4-177.4-22.734.3000112.3Y440 W466 N483 Y484Y440-P481 HydrophobicContact CD1-CG 4.43Å; Y440-P481 HydrophobicContact CD2-CG 3.77Å; Y440-P481 HydrophobicContact CE1-CG 4.34Å; Y440-P481 HydrophobicContact CE2-CG 3.66Å; Y440-P481 HydrophobicContact CG-CG 4.17Å; W466-P481 HydrophobicContact CE3-CG 4.43Å; W466-P481 HydrophobicContact CH2-CG 4.15Å; W466-P481 HydrophobicContact CZ3-CG 4.07Å; P481-N483 VanDerWaalsContact C-N 3.26Å; P481-N483 VanDerWaalsContact CB-OD1 3.23Å; P481-N483 WeakPolarHBondContact CB-OD1 3.07Å; P481-N483 PolarHBondContact O-N 2.79Å; P481-Y484 HydrophobicContact CB-CD2 3.87Å; P481-Y484 HydrophobicContact CB-CE2 4.42Å; P481-Y484 HydrophobicContact CB-CG 4.3Å; P481-Y484 PolarHBondContact O-N 3.48Å; P481-Y484 VanDerWaalsContact O-N 3.09Å
482G92Very high83.7Confident7 Ų775.5 Ų75.57%0.07243%0.429CS..G310 helixtrans-67.3-25.4-176.100000114G465 F467 F480 Y484 M485G465-G482 WeakPolarHBondContact O-CA 3.31Å; G465-G482 PolarHBondContact O-N 3.36Å; F467-G482 VanDerWaalsContact CD2-CA 3.49Å; F467-G482 VanDerWaalsContact CE2-CA 3.5Å; F480-G482 PolarHBondContact O-N 2.85Å; G482-Y484 PolarHBondContact O-N 2.87Å; G482-M485 WeakPolarHBondContact O-CB 3.27Å; G482-M485 PolarHBondContact O-N 2.99Å
483N94.3Very high81Confident126 Ų12676.4 Ų76.467%0.67445%0.446SS*.G310 helixtrans-71.9-11.3173.662.9-34.2000113.9P481 M485P481-N483 VanDerWaalsContact C-N 3.26Å; P481-N483 VanDerWaalsContact CB-OD1 3.23Å; P481-N483 WeakPolarHBondContact CB-OD1 3.07Å; P481-N483 PolarHBondContact O-N 2.79Å; N483-M485 VanDerWaalsContact C-N 3.29Å
484Y93.6Very high78.3Confident77 Ų7774.2 Ų74.230%0.30246%0.455SS..G310 helixtrans-88.80.8173.8-77.9-132.8000111.8M437 F438 P439 Y440 L450 P481 G482M437-Y484 PolarHBondContact N-O 2.88Å; F438-Y484 HydrophobicContact CB-CD1 3.61Å; F438-Y484 HydrophobicContact CB-CE1 3.91Å; F438-Y484 HydrophobicContact CB-CG 4.24Å; P439-Y484 VanDerWaalsContact O-CE1 3.31Å; P439-Y484 WeakPolarHBondContact O-CE1 3.48Å; Y440-Y484 HydrophobicContact CD2-CD1 4.49Å; Y440-Y484 HydrophobicContact CD2-CE1 4.2Å; L450-Y484 HydrophobicContact CD1-CD1 4.49Å; L450-Y484 HydrophobicContact CD1-CG 4.41Å; P481-Y484 HydrophobicContact CB-CD2 3.87Å; P481-Y484 HydrophobicContact CB-CE2 4.42Å; P481-Y484 HydrophobicContact CB-CG 4.3Å; P481-Y484 PolarHBondContact O-N 3.48Å; P481-Y484 VanDerWaalsContact O-N 3.09Å; G482-Y484 PolarHBondContact O-N 2.87Å
485M92.4Very high75.9Confident12 Ų1277 Ų776%0.05948%0.477CS..EExtended strand (participates in β ladder)trans-122.9133.7-166.4-63.1-100.580.400112.6Y434 V435 A436 L450 F456 F467 F480 G482 N483Y434-M485 HydrophobicContact CD1-CB 3.77Å; Y434-M485 HydrophobicContact CG-CB 4.34Å; V435-M485 WeakPolarHBondContact O-CA 3.45Å; A436-M485 HydrophobicContact CB-CE 3.54Å; A436-M485 VanDerWaalsContact N-CE 3.29Å; L450-M485 HydrophobicContact CD1-CE 4.17Å; L450-M485 HydrophobicContact CD1-CG 4.32Å; L450-M485 HydrophobicContact CD2-CE 3.86Å; L450-M485 HydrophobicContact CD2-SD 4.11Å; F456-M485 HydrophobicContact CB-CE 4.36Å; F456-M485 HydrophobicContact CB-SD 4.01Å; F456-M485 HydrophobicContact CD2-CE 3.66Å; F456-M485 HydrophobicContact CD2-SD 4.32Å; F456-M485 HydrophobicContact CE2-CE 4.3Å; F456-M485 HydrophobicContact CG-CE 4.16Å; F456-M485 HydrophobicContact CG-SD 4.23Å; F467-M485 HydrophobicContact CD2-CB 4.18Å; F467-M485 HydrophobicContact CD2-CG 4.26Å; F467-M485 HydrophobicContact CE2-CB 4.19Å; F480-M485 HydrophobicContact CD2-CG 3.72Å; F480-M485 HydrophobicContact CD2-SD 3.52Å; F480-M485 VanDerWaalsContact CD2-SD 3.52Å; F480-M485 HydrophobicContact CE2-CG 3.76Å; F480-M485 HydrophobicContact CE2-SD 3.18Å; F480-M485 WeakPolarHBondContact CE2-SD 3.23Å; F480-M485 HydrophobicContact CZ-SD 4.05Å; G482-M485 WeakPolarHBondContact O-CB 3.27Å; G482-M485 PolarHBondContact O-N 2.99Å; N483-M485 VanDerWaalsContact C-N 3.29Å
486S91.9Very high73Confident47 Ų4780.1 Ų80.133%0.32949%0.49SS..EExtended strand (participates in β ladder)trans-114.7122.1175.9-174.20000112.8Y434 V435 M437Y434-S486 CarbonylContact C-O 3.47Å; Y434-S486 VanDerWaalsContact CA-O 3.26Å; Y434-S486 WeakPolarHBondContact CA-O 3.33Å; V435-S486 PolarHBondContact N-O 3.41Å; V435-S486 PolarHBondContact O-N 2.91Å; M437-S486 VanDerWaalsContact SD-CB 3.58Å
487P91.3Very high70.5Confident85 Ų8581.6 Ų81.655%0.55250%0.499SS*.EExtended strand (participates in β ladder)trans-57.8108.2174-13.1000111.4T432 Y434 S489T432-P487 HydrophobicContact CG2-CB 4.22Å; Y434-P487 VanDerWaalsContact CD1-CD 3.48Å; Y434-P487 HydrophobicContact CD1-CG 4.3Å; Y434-P487 VanDerWaalsContact CD1-N 3.3Å; Y434-P487 HydrophobicContact CD2-CB 3.95Å; Y434-P487 HydrophobicContact CE1-CB 3.64Å; Y434-P487 HydrophobicContact CE1-CG 2.91Å; Y434-P487 HydrophobicContact CE2-CB 2.59Å; Y434-P487 HydrophobicContact CE2-CG 3.38Å; Y434-P487 VanDerWaalsContact CE2-N 3.34Å; Y434-P487 WeakPolarHBondContact OH-CA 3.5Å; Y434-P487 WeakPolarHBondContact OH-CB 3.37Å; Y434-P487 WeakPolarHBondContact OH-CD 3.25Å; Y434-P487 WeakPolarHBondContact OH-CG 3.41Å; Y434-P487 PolarHBondContact OH-O 2.77Å; P487-S489 PolarHBondContact O-N 3.36Å
488V87.1Confident67.5Low60 Ų6081.8 Ų81.836%0.36451%0.508SS..  trans-71.396.2-177.3-177.90000108.8V433 V435 R490V433-V488 HydrophobicContact CG1-CB 4.42Å; V433-V488 HydrophobicContact CG1-CG2 4.16Å; V433-V488 PolarHBondContact O-N 3.32Å; V435-V488 HydrophobicContact CB-CG2 3.9Å; V435-V488 HydrophobicContact CG1-CG2 3.99Å; V488-R490 PolarHBondContact O-N 3.25Å
489S70.2Confident64.2Low109 Ų10990.4 Ų90.476%0.76254%0.542SS*.  trans-57.1104.6176.9-65.10000111.4P487 T491P487-S489 PolarHBondContact O-N 3.36Å; S489-T491 PolarHBondContact O-N 3.09Å
490R52.1Low60.9Low183 Ų18395.3 Ų95.369%0.69157%0.572SS**  trans-7496.5173.8-71.2-174.2-67.7-124.7-6.7110.2V488 A492V488-R490 PolarHBondContact O-N 3.25Å; R490-A492 PolarHBondContact O-N 3.11Å; R490-A492 VanDerWaalsContact O-N 3.14Å
491T35.1Very low57.7Low135 Ų135100.9 Ų100.983%0.82861%0.608SS**  trans-59.1111.2160.548.60000109.2S489 S493S489-T491 PolarHBondContact O-N 3.09Å; T491-S493 PolarHBondContact O-N 2.83Å
492A36.2Very low54.6Low99 Ų99108.4 Ų108.482%0.81864%0.644SS**  trans-70.8114.517700000109.9R490 G494R490-A492 PolarHBondContact O-N 3.11Å; R490-A492 VanDerWaalsContact O-N 3.14Å; A492-G494 VanDerWaalsContact C-N 3.3Å; A492-G494 PolarHBondContact O-N 2.9Å
493S34.3Very low51.5Low126 Ų126114.2 Ų114.288%0.88168%0.684SS**  trans-73.481.3176.6-173.50000110.8T491T491-S493 PolarHBondContact O-N 2.83Å
494G31.5Very low48.3Very low70 Ų70115 Ų11572%0.72269%0.687SS**  trans-84.6111.8171.200000110.9A492A492-G494 VanDerWaalsContact C-N 3.3Å; A492-G494 PolarHBondContact O-N 2.9Å
495S38.7Very low45Very low119 Ų119117 Ų11783%0.83271%0.711SS**  trans-88.2108.7-178.5580000112.6
496S30.6Very low41.9Very low118 Ų118121.7 Ų121.783%0.82574%0.741SS**  trans-142.5134.8164.653.90000111.7
497Q37.9Very low39.1Very low174 Ų174128.2 Ų128.281%0.81377%0.766SS**  trans-99.1150.3176.4-81.4-83.4-33.600109.8
498P29.4Very low36.1Very low120 Ų120129 Ų12978%0.77978%0.779SS**  -141.699.6124.633.4-17.5000114.6
499K25Very low33.2Very low190 Ų190130 Ų13083%0.82680%0.802SS**  30.4102.7123-164.3175.5-172.1177.40117.5
500V26Very low31.3Very low131 Ų131137 Ų13779%0.79481%0.811SS**PPolyproline II helixtrans-85.4137.8165.7-1700000110.3
501P28.5Very low30.1Very low118 Ų118131.8 Ų131.877%0.76682%0.815SS**PPolyproline II helixtrans-83.3135.6170.432.4-32.3000112.1
502M28.3Very low29.8Very low171 Ų171132.4 Ų132.484%0.84282%0.819SS**PPolyproline II helixtrans-100.2151.3164.5-67.2-172.6-17300110.7L504M502-L504 HydrophobicContact CB-CD1 4.48Å
503S26.7Very low29.4Very low129 Ų129133.7 Ų133.790%0.90282%0.816SS**  trans-140.8142.2159.2-74.20000109.6
504L27.3Very low29.1Very low143 Ų143135.3 Ų135.375%0.74981%0.814SS**  trans-119.5145.1-175.7-77.776.7000112M502M502-L504 HydrophobicContact CB-CD1 4.48Å
505C24.2Very low28.9Very low118 Ų118138.1 Ų138.180%0.79782%0.816SS**  trans-160.8128.1137.9-88.10000106.7
506T27.8Very low28.6Very low111 Ų111137.4 Ų137.468%0.68181%0.811SS**  64.1127.855.965.20000113.8
507Q33.3Very low28.8Very low184 Ų184138 Ų13886%0.8681%0.812SS**  cis-164.1177.6-10.3-136.4-172.333.700111.9
508A27.3Very low28.3Very low101 Ų101134.7 Ų134.784%0.83581%0.808SS**  trans90.2155.1158.200000120.4
509G27Very low28.4Very low81 Ų81134 Ų13484%0.83581%0.807SS**  trans118.899.8170.500000115.6
510R31.2Very low28.8Very low255 Ų255129.8 Ų129.896%0.96281%0.807SS**  trans-85.1134.4-175.9-66178.7174-157.7-1.1114.4
511G25.9Very low30.1Very low75 Ų75129.3 Ų129.377%0.77381%0.806SS**  80.4128.612400000120.7
512V29Very low30Very low148 Ų148132.6 Ų132.690%0.89782%0.817SS**  trans-140.6146.4163.1178.80000109.8
513T27.9Very low29.8Very low125 Ų125127.8 Ų127.877%0.76781%0.81SS**  trans-90.7151.4-175.3-48.70000112.6
514I27.2Very low30Very low161 Ų161126.4 Ų126.483%0.82681%0.807SS**  trans-88.6131.4168-66177.3000110.2
515V27.4Very low29.9Very low129 Ų129127.6 Ų127.678%0.78281%0.813SS**  trans-143.5135.2160.4-151.10000109.7
516S32.8Very low30.3Very low103 Ų103128 Ų12872%0.7281%0.811SS**  trans-81.1170.3166.8-48.60000110.9
517P35Very low31.3Very low130 Ų130129 Ų12984%0.84482%0.82SS**  trans-130.4160.413936.9-28.2000112.8
518S27.3Very low31.2Very low105 Ų105123.5 Ų123.573%0.73481%0.812SS**  trans-129.4136.6171.7-178.70000110.5
519S31.7Very low32.6Very low107 Ų107124.1 Ų124.175%0.74881%0.808SS**  trans56.1138.2148.257.10000122.3
520A32.4Very low33Very low100 Ų100126.7 Ų126.783%0.82680%0.802SS**  trans99.8147.4149.200000119
521P53.7Low33.2Very low121 Ų121122.6 Ų122.679%0.78679%0.792SS**  trans-124.8172.5-165.243.2-28.8000115.6
522L26.1Very low33.3Very low188 Ų188125.3 Ų125.398%0.98479%0.789SS**  trans-168.8166.6148.6-102.1161.6000109
523G25.1Very low33.4Very low69 Ų69127.5 Ų127.571%0.71179%0.786SS**  trans-148.8-142.7-163.700000118.1
524A29.4Very low34.3Very low101 Ų101126.3 Ų126.384%0.83578%0.78SS**  trans102.8149-16100000112
525I26.8Very low34.2Very low168 Ų168126.3 Ų126.386%0.86278%0.781SS**  cis-132.1177.930.7-73.6171.8000112.9
526V32.9Very low35.2Very low126 Ų126125.4 Ų125.476%0.76478%0.778SS**  trans-126.4148.8-159.3160.50000110.6
527P48.1Very low35Very low133 Ų133125 Ų12586%0.86478%0.78SS**  -146.9170.483.636.9-16.4000115.7
528G31.5Very low34.6Very low68 Ų68124.2 Ų124.270%0.70178%0.777SS**  cis173.4-177.4-100000108.5
529P57.2Low34.8Very low114 Ų114123.9 Ų123.974%0.7478%0.775SS**  cis-134.3171.8-0.444.1-27.1000117
530D34.3Very low34.8Very low135 Ų135125.1 Ų125.172%0.72278%0.778SS**  trans44.4147.7138.1-61-6.4000124.6
531F35.1Very low34.7Very low168 Ų168124.5 Ų124.574%0.73777%0.773SS**  cis-161152.1-2.5-124.4-57.9000113.5
532N28.5Very low33.7Very low133 Ų133123.3 Ų123.371%0.71177%0.773SS**  trans70.1100.1152.6-76.7-27.6000126.9
533K30Very low34Very low194 Ų194120 Ų12084%0.84377%0.766SS**  28.3167.3113.7-89.7-172.5174.3178.50124.3
534P48.4Very low34.4Very low99 Ų99120.8 Ų120.864%0.64377%0.766SS**  cis-148153.2-19.937.3-16.2000120.5
535L24.1Very low34.2Very low162 Ų162122.1 Ų122.185%0.84877%0.767SS**  trans60.3172138.1-70178.1000123.2
536P49.9Very low34.5Very low109 Ų109119.3 Ų119.371%0.70876%0.763SS**  cis-137.7179.3-2635.3-15.5000117.7
537A28.3Very low35.8Very low94 Ų94119 Ų11978%0.77776%0.763SS**  trans74.4155.7146.800000120.7
538C25.2Very low35.9Very low114 Ų114118 Ų11877%0.7776%0.756SS**  cis-158.8156-1.6-132.30000114.8
539S32.7Very low35.9Very low99 Ų99119.8 Ų119.869%0.69277%0.765SS**  trans59.8147.2145.7-62.20000122.6
540T30.7Very low34.7Very low133 Ų133118.9 Ų118.982%0.81677%0.767SS**  cis-175.5170.1-10.126.80000107.9
541A31.1Very low34.4Very low87 Ų87119.5 Ų119.572%0.71978%0.776SS**  cis178.3172.6-32.300000110.2
542A33.2Very low34Very low96 Ų96117.8 Ų117.879%0.79378%0.779SS**  trans72.9147.7158.800000119.5
543S31.3Very low33.9Very low119 Ų119117 Ų11783%0.83278%0.783SS**  cis-176.2-177.4-5.2-100.10000108.6
544A33.3Very low33.8Very low85 Ų85111.3 Ų111.370%0.70277%0.773SS**  cis176.1162.4-28.200000107.1
545C26.7Very low33Very low129 Ų129115 Ų11587%0.87278%0.782SS**  cis-166.2172.4-21.1-97.20000110
546S31.4Very low33.2Very low109 Ų109113.3 Ų113.376%0.76278%0.778SS**  trans-82.6-160.9174.5-240000112.8
547P60.5Low32.1Very low118 Ų118112.1 Ų112.177%0.76678%0.777SS**  cis-120.1-109.6-11.521.46.9000111.2
548P51.2Low32.2Very low112 Ų112114.5 Ų114.573%0.72778%0.782SS**  cis-139.5172.4-34.741.4-23.1000118.8
549A30.6Very low32.3Very low106 Ų106112.4 Ų112.488%0.87678%0.78SS**  trans75.5173.714700000123
550A31.4Very low32.1Very low96 Ų96116.6 Ų116.679%0.79379%0.789SS**  trans-143.8168.2-160.400000115.2
551V29.8Very low32Very low148 Ų148118.6 Ų118.690%0.89779%0.789SS**  trans-146.6172.6176.9-72.20000113.6
552T25Very low32.6Very low132 Ų132119.2 Ų119.281%0.8179%0.785SS**  trans-138168.6-163.9-43.40000112.6
553S27.4Very low32.4Very low115 Ų115124.3 Ų124.380%0.80479%0.79SS**  trans82.7151.4162.882.10000118.1
554A28.3Very low32.3Very low76 Ų76125 Ų12563%0.62879%0.788SS**  cis-171.1167.8-21.500000113.2
555Q31.8Very low32.4Very low177 Ų177126.2 Ų126.283%0.82779%0.79SS**  trans72.4153.1158.5-71.9168.270.700118.1
556T26.6Very low32.5Very low126 Ų126127.8 Ų127.877%0.77379%0.788SS**  cis-151.6177.79.9-13.40000113.8
557A28.7Very low32.5Very low83 Ų83130.6 Ų130.669%0.68679%0.789SS**  trans80.4104.8168.200000117.9
558T28.5Very low31Very low144 Ų144130.8 Ų130.888%0.88379%0.788SS**  83.9124.952.7630000115.5
559G28.3Very low30Very low70 Ų70131.5 Ų131.572%0.72279%0.786SS**  cis166.1162.3-10.900000116
560Q29.3Very low29.9Very low187 Ų187129.3 Ų129.387%0.87476%0.764SS**  trans65.7118.3157.9-52.4-173.912.500119.8
561Q27.9Very low29.7Very low176 Ų176132.4 Ų132.482%0.82276%0.762SS**  63151.174.5-66.7-68.5-15.300115.5
562P44.2Very low29.9Very low99 Ų99132.6 Ų132.664%0.64376%0.755SS**  cis-142.2-174.6-18.742.1-23.5000116.7
563K28.9Very low30.2Very low204 Ų204132.3 Ų132.389%0.88775%0.753SS**  trans79.5160150.5-83.2176.2178.5177.10122.8
564V28.3Very low30.3Very low132 Ų132132.6 Ų132.680%0.875%0.75SS**  trans-117.8141.3-166.1160.50000108.7
565P35.3Very low30.3Very low112 Ų112136.6 Ų136.673%0.72776%0.761SS**  -157.3144.991.739.8-18.1000121.2
566L30.3Very low30.5Very low161 Ų161136 Ų13684%0.84376%0.758SS**  trans61.4114133.4-64.7174.9000125.2
567H29.7Very low30.6Very low169 Ų169134.7 Ų134.778%0.78276%0.76SS**  95.5159.5117.2-159.759.9000122.3
568V29Very low30.8Very low122 Ų122140.7 Ų140.774%0.73976%0.764SS**  trans77135.9174.7-171.20000117.7
569N30.1Very low31Very low127 Ų127141.1 Ų141.168%0.67976%0.762SS**  cis-169.3159.8-29.9-174.737000111.9
570S28.3Very low31.2Very low60 Ų60141.8 Ų141.842%0.4276%0.76SS.*  trans54.4133.2160.9-74.50000120.5
571Q29.2Very low31.3Very low161 Ų161139 Ų13975%0.75276%0.755SS**  66.9143.469.2-58.6165.2-42.300113.5
572M32.7Very low31.4Very low151 Ų151142.2 Ų142.274%0.74476%0.76SS**  cis-150.6156.441.8-25.7-77.8164.100115.5
573T30.8Very low30.8Very low127 Ų127144.1 Ų144.178%0.77977%0.77SS**  36.4116.7129.5-47.10000124
574V30.8Very low30.8Very low121 Ų121139.1 Ų139.173%0.73377%0.767SS**  trans17.7124.7131.9-175.40000120.1
575N27.7Very low30.7Very low160 Ų160137.9 Ų137.986%0.85677%0.77SS**  -166.3174.3121.2-113.9-67.4000116.6
576Q35.6Very low30.4Very low165 Ų165137.7 Ų137.777%0.77177%0.77SS**  trans-111.1152.8-165.9179.8-171.895.400113.3
577A29.6Very low30.2Very low98 Ų98138.6 Ų138.681%0.8177%0.77SS**  trans-138.7167.8173.100000113
578R33.3Very low30.1Very low208 Ų208135 Ų13579%0.78576%0.764SS**  trans-130.1152.1-163.8-78.5176.1151.4110.5-9.9114.7
579N32.3Very low30.1Very low154 Ų154137 Ų13782%0.82477%0.765SS**  trans62.2157.1151.7-62.2-14.9000117.6
580A32.9Very low29.9Very low83 Ų83137.1 Ų137.169%0.68677%0.766SS**  cis-157.3145.718.100000115.6
581V30.2Very low29.9Very low128 Ų128143.1 Ų143.178%0.77678%0.779SS**  trans53.3121130.8-178.90000122
582R30.1Very low30.8Very low245 Ų245141.4 Ų141.493%0.92578%0.782SS**  -164.1160.2115.5-104.4-178.5-169.3-1430.9112.3
583T31.8Very low30.6Very low139 Ų139139 Ų13985%0.85378%0.776SS**  trans-146.8138.1-166.1-47.60000111.9
584A28.3Very low30.7Very low99 Ų99137 Ų13782%0.81877%0.773SS**  trans160154.5160.900000109.5
585A26.6Very low30.5Very low106 Ų106135.8 Ų135.888%0.87678%0.775SS**  cis-161-177.9-19.600000108.6
586C28.7Very low30.6Very low108 Ų108134.8 Ų134.873%0.7377%0.774SS**  trans-108.8150.6-17258.30000114.8
587H26.2Very low30.4Very low179 Ų179133 Ų13383%0.82978%0.775SS**  -173.1171.7123-116.969.6000113.4
588S26.9Very low31.2Very low95 Ų95133.3 Ų133.366%0.66477%0.769SS**  trans-114.6163.417655.40000111.6
589Q29.4Very low31.1Very low164 Ų164130.7 Ų130.777%0.76677%0.769SS**  trans173.1135.9135.9-93-94.5-9700116
590D26.5Very low30.9Very low129 Ų129131.2 Ų131.269%0.6977%0.766SS**  trans70.9170.8140.4-109.4-76.5000127.1
591R29.1Very low30.6Very low186 Ų186131.7 Ų131.770%0.70276%0.764SS**  trans-127.5155.3-151.980.4-174.5-136.7-160.15.1116.8T593R591-T593 PolarHBondContact NE-OG1 2.85Å; R591-T593 PolarHBondContact NH2-OG1 3.31Å
592P46.3Very low30.5Very low125 Ų125131.1 Ų131.181%0.81276%0.761SS**  trans-83.8168.5158.7-9.227.7000113.7
593T30Very low30.5Very low99 Ų99124.5 Ų124.561%0.60775%0.748SS**  trans-165.4155.6-178.4-84.90000115R591R591-T593 PolarHBondContact NE-OG1 2.85Å; R591-T593 PolarHBondContact NH2-OG1 3.31Å
594A32.1Very low30.2Very low87 Ų87128.7 Ų128.772%0.71975%0.75SS**  trans85.4110.2157.500000123.2
595A27.6Very low30.3Very low95 Ų95130.3 Ų130.379%0.78574%0.744SS**  83.7166.7111.300000124
596V28.1Very low31.4Very low138 Ų138131.1 Ų131.184%0.83674%0.74SS**  trans88.6123.7164.7-169.20000118.9
597T32.3Very low31.4Very low129 Ų129133.9 Ų133.979%0.79174%0.742SS**  trans-117162.9159.255.20000108.8
598P46.9Very low32.7Very low104 Ų104131 Ų13168%0.67574%0.74SS**  -158176.9106.540.3-22.1000116.6
599I29.8Very low32.8Very low153 Ų153130.4 Ų130.479%0.78574%0.74SS**  trans73.4148.8148.9-109.6155.6000117.2
600Q28.2Very low32.7Very low165 Ų165130.3 Ų130.377%0.77174%0.743SS**  cis-145-127.4-8.5-156.7168.9-20.700112.5
601S28.2Very low32.8Very low92 Ų92129.6 Ų129.664%0.64375%0.747SS**  trans-168.6-174-170.954.60000108.8
602V27.9Very low33.8Very low117 Ų117125.7 Ų125.771%0.70975%0.746SS**  cis-158.4167.823.6-126.40000111.4
603T28.6Very low33Very low106 Ų106128.6 Ų128.665%0.6575%0.748SS**  trans41.9129.2142-53.20000122
604Y25.7Very low32.8Very low227 Ų227128.4 Ų128.489%0.8975%0.751SS**  -173.3157.7115.7-107.7-74.5000114.9
605L31Very low32.5Very low133 Ų133128.8 Ų128.870%0.69675%0.748SS**  trans-118.4163.5174-111.3169.8000107.6
606P49.7Very low32.5Very low122 Ų122130.6 Ų130.679%0.79275%0.75SS**  -153.8-179.268.440.7-18.3000118.6
607H29.1Very low32.8Very low166 Ų166131.3 Ų131.377%0.76975%0.749SS**  trans-72.7178.2169.5-89.1-37.2000113.7
608P53Low33.4Very low120 Ų120131 Ų13178%0.77975%0.749SS**  cis-132.8-155.424.638.7-14.8000113.5
609A30.2Very low32.6Very low81 Ų81129.9 Ų129.967%0.66975%0.749SS**  cis-161.7-175.410.700000113.4
610I26.4Very low32.6Very low162 Ų162132.4 Ų132.483%0.83176%0.758SS**  trans84.5139.8157.7-57.6174.8000118.8
611C28.1Very low32.5Very low114 Ų114128 Ų12877%0.7776%0.756SS**  trans-140.4-166.7176.6-60.20000106.9
612P51.3Low32.4Very low104 Ų104129.5 Ų129.568%0.67577%0.765SS**  cis-149.5178.15.843.9-22.4000119.2
613Q28.8Very low32.4Very low186 Ų186129 Ų12987%0.86977%0.767SS**  trans64.2170.7161.1-31.7-165.2-1.100118.4
614S26.7Very low32.6Very low95 Ų95134.7 Ų134.766%0.66478%0.777SS**  cis-1561606.656.70000115.5
615S25.2Very low32.7Very low95 Ų95130.3 Ų130.366%0.66477%0.773SS**  trans52.3113.214063.10000126.4
616T27.3Very low32.7Very low133 Ų133126.9 Ų126.982%0.81677%0.77SS**  35.9138.1123.355.50000126.7
617N34.6Very low31.8Very low153 Ų153128.3 Ų128.382%0.81878%0.776SS**  trans-5.4147.5140.4-778.2000120.7
618P45.6Very low31.8Very low122 Ų122125 Ų12579%0.79278%0.777SS**  -138.1174.490.1211.7000113.6
619A29.3Very low30.9Very low82 Ų82128 Ų12868%0.67878%0.783SS**  cis99.9132.814.700000117.5
620Q30.6Very low30.8Very low206 Ų206127 Ų12796%0.96378%0.781SS**  trans67163.9169.4-58.5171.8-9.800116.9
621G25.8Very low31.1Very low71 Ų71125.3 Ų125.373%0.73278%0.782SS**  cis168162.4-11.500000114.6
622C26.2Very low31.2Very low125 Ų125124.7 Ų124.785%0.84579%0.785SS**  trans73.7125.8165.8-88.30000124
623S27.5Very low30.2Very low107 Ų107124.6 Ų124.675%0.74879%0.793SS**  46.9146.8120.4-550000122.1
624R31.7Very low30.2Very low225 Ų225119.6 Ų119.685%0.84978%0.783SS**  cis-173156.322.4-136-179.4-170.1-166.63.3112
625V28.8Very low30.3Very low134 Ų134120.2 Ų120.281%0.81279%0.788SS**  trans63.9134161.7-173.60000117.2
626G30.4Very low30.5Very low61 Ų61123.4 Ų123.463%0.62980%0.796SS**  cis116.4148.4-2.700000114.2
627V32.2Very low31Very low152 Ų152123.1 Ų123.192%0.92180%0.795SS**  cis-159.4148.7-10.4-170.90000107.7
628A28.1Very low32.2Very low96 Ų96121.4 Ų121.479%0.79379%0.792SS**  trans-148.4142.4169.200000114.9
629M34.3Very low32.2Very low185 Ų185121.3 Ų121.391%0.91179%0.791SS**  trans-11146.9172-64.6-74.7-8200120.9
630G28.5Very low32.4Very low60 Ų60124.6 Ų124.662%0.61980%0.797SS**  cis160.4160.7-4.500000114.2
631C31.3Very low32.4Very low126 Ų126120.7 Ų120.785%0.85179%0.787SS**  trans62.3128.6171.3-59.40000117
632A30.3Very low32.6Very low100 Ų100123 Ų12383%0.82679%0.792SS**  cis-156.5-173.32.900000108.6
633A30.5Very low32.9Very low103 Ų103122 Ų12285%0.85179%0.793SS**  cis-144.6-93.47.100000112.7
634A29.6Very low33Very low80 Ų80121.5 Ų121.566%0.66180%0.796SS**  trans-151.7153.5-173.100000109.3
635S29.3Very low32.8Very low109 Ų109116.2 Ų116.276%0.76279%0.793SS**  cis66.8144.136.6-510000111.7
636L27.9Very low33Very low161 Ų161116.6 Ų116.684%0.84379%0.79SS**  cis-151.6161.948.9-74.1158.9000113.8
637T38.8Very low33Very low127 Ų127120.8 Ų120.878%0.77980%0.798SS**  trans-131.9176.3151.159.50000107.2
638P59.4Low33Very low117 Ų117116.7 Ų116.776%0.7679%0.787SS**  cis-109.8-146.9-24.529.3-7.2000109.2
639P46Very low33.1Very low120 Ų120118.6 Ų118.678%0.77978%0.783SS**  -150.1-170.777.341.4-21.9000115
640N34Very low32.9Very low151 Ų151114.1 Ų114.181%0.80778%0.776SS**  trans-136120.1165.5168.921.5000109.2
641V30.7Very low33.1Very low124 Ų124118.2 Ų118.275%0.75278%0.782SS**  trans-164137.7156.7-1020000112.2
642S29.7Very low33.3Very low120 Ų120123.3 Ų123.384%0.83978%0.784SS**  trans28.7139141.5-50.10000123
643A31.1Very low34.3Very low105 Ų105123.4 Ų123.487%0.86878%0.776SS**  trans-107.1156.6164.300000112.2
644A30.8Very low34.4Very low96 Ų96125 Ų12579%0.79378%0.775SS**  trans-164.2161.7170.200000111.9
645S27.1Very low35.4Very low113 Ų113126.3 Ų126.379%0.7978%0.777SS**  trans68.8140.4170.8-84.50000117.1
646L33Very low35.3Very low142 Ų142128.4 Ų128.474%0.74378%0.784SS**  cis-130.4168.6-3.9-80.8176.8000109.1
647D29.7Very low35.4Very low149 Ų149124 Ų12480%0.79778%0.779SS**  cis-120.2177.211.2-78.6-70.2000111.7
648G32.5Very low34.9Very low67 Ų67123.9 Ų123.969%0.69178%0.783SS**  cis119.7129.22.700000112.2
649D30.2Very low33.6Very low135 Ų135125.7 Ų125.772%0.72279%0.786SS**  cis-108.9-82.7-5.2166.7-120.5000112.7L651D649-L651 PolarHBondContact OD1-N 3.15Å
650A31Very low32.7Very low91 Ų91125.9 Ų125.975%0.75279%0.79SS**  cis-14585.81.100000112.7
651L32.4Very low32.4Very low146 Ų146122.4 Ų122.476%0.76478%0.783SS**  trans63.9128163.3-61.9-177.2000121.8D649D649-L651 PolarHBondContact OD1-N 3.15Å
652R36.4Very low32.2Very low234 Ų234124.4 Ų124.488%0.88379%0.788SS**  trans94.2146.1157.8-62.8-70.6175.2155.4-2.4118.2
653P50.1Low32.1Very low102 Ų102125.8 Ų125.866%0.66279%0.786SS**  -141.7153-129.541.6-22.9000119.9
654V32.9Very low32.9Very low136 Ų136125.7 Ų125.782%0.82478%0.776SS**  trans67.1151.2135170.60000118.5
655P49.5Very low32.7Very low107 Ų107126.3 Ų126.370%0.69578%0.775SS**  cis-128.9158.57.221.43.4000119.2
656V29.1Very low32.8Very low153 Ų153126.6 Ų126.693%0.92778%0.777SS**  trans49.3127134.9-175.90000122.5
657G28.3Very low32.7Very low70 Ų70127.2 Ų127.272%0.72278%0.781SS**  trans158.2116.9152.900000114.3
658S29.6Very low32.9Very low124 Ų124125.5 Ų125.587%0.86778%0.781SS**  trans-113.6128.6-162.7-59.70000117.6
659N31.3Very low32.7Very low154 Ų154126.4 Ų126.482%0.82478%0.782SS**  trans12.1134148.4-60-6.7000122.7
660S27.5Very low32.7Very low125 Ų125128.2 Ų128.287%0.87479%0.791SS**  trans-172.1168.3137.3-81.10000110.4
661A27.4Very low32.6Very low78 Ų78128 Ų12865%0.64579%0.788SS**  cis-175.1148.2-40.500000109.4
662L26.5Very low32.3Very low165 Ų165126.1 Ų126.186%0.86479%0.786SS**  trans67137.4156.3-60.3161.3000122.2
663N28Very low32Very low149 Ų149125 Ų12580%0.79778%0.782SS**  4.1164.5124.3-92.7-2.5000120.9
664P47.5Very low31Very low103 Ų103126.8 Ų126.867%0.66979%0.785SS**  cis-147.6-167.30.938.6-15.3000117.9
665S26.8Very low30.8Very low109 Ų109125.3 Ų125.376%0.76277%0.773SS**  trans85.5145.6135.7-75.10000125.9
666S29.7Very low29.9Very low119 Ų119127.8 Ų127.883%0.83277%0.773SS**  trans113164.1142.279.60000120.6
667N31.2Very low30Very low155 Ų155126.5 Ų126.583%0.82976%0.761SS**  trans-123.5164.6-162.9-54.9-59.9000113.2
668S32.3Very low30Very low114 Ų114129.2 Ų129.280%0.79776%0.763SS**  157.5161.8109.259.80000116.4
669A29.5Very low29.9Very low86 Ų86132.1 Ų132.171%0.71176%0.76SS**  trans69.5159.4148.500000120.2
670L29Very low29.8Very low173 Ų173135.3 Ų135.391%0.90676%0.761SS**  cis-158-176.7-28.3-110.6173.9000110.6
671A28.7Very low29.9Very low85 Ų85135.6 Ų135.670%0.70275%0.748SS**  trans-91.4179-174.100000113.4
672C26Very low30.1Very low107 Ų107138.1 Ų138.172%0.72374%0.744SS**  cis-174.5165.7-3.1-133.30000113.6
673R30.5Very low30.3Very low212 Ų212139.3 Ų139.380%0.874%0.742SS**  trans84.3145.6140.1-72.3-79.5166.2-164.1-4125.9
674L30Very low30.2Very low138 Ų138136.6 Ų136.672%0.72374%0.735SS**  trans80.3147.6148.3-102.273.3000119.7
675D29.1Very low29.3Very low105 Ų105139.8 Ų139.856%0.56175%0.746SS**  cis-162.7171.2-4.8-150.7-173.9000114.6
676K30.8Very low29.5Very low159 Ų159141.4 Ų141.469%0.69175%0.745SS**  trans68.7156149.3-83.1-173-18072.30122.8
677D30.6Very low29.4Very low127 Ų127145 Ų14568%0.67975%0.746SS**  cis-167.2-179.6-22-150.9-60.5000110.3
678V27.8Very low29.3Very low126 Ų126144.7 Ų144.776%0.76474%0.743SS**  trans76.3153.2161.9-157.30000118.2
679K27.9Very low29Very low185 Ų185146.3 Ų146.380%0.80474%0.742SS**  180155.3-58.7-175.1175.7-179.3172.10109.1
680R30Very low28.8Very low222 Ų222147.1 Ų147.184%0.83874%0.743SS**  trans90156.9152.1-151.1-177-164.3-163.55.6118.4
681E27.8Very low28.8Very low131 Ų131144 Ų14461%0.61274%0.736SS**  cis-174.3148.2-49.9-147.5-164.1151.100113.9
682K32.9Very low28.7Very low131 Ų131147.5 Ų147.557%0.5774%0.742SS**  trans71150.6156.8-18.6171-162.6-81.80123.5
683K31.1Very low28.8Very low189 Ų189150.1 Ų150.182%0.82274%0.741SS**  trans78155.1145.5-71.6165.3-176-174.20119.7
684S24.5Very low28.7Very low92 Ų92148.7 Ų148.764%0.64374%0.741SS**  cis178.6139.2-22.5170.40000111.5
685L29.2Very low28.6Very low170 Ų170150.7 Ų150.789%0.8974%0.744SS**  trans-157.2167.8143.9-114169.6000111.5
686L30.1Very low28.5Very low143 Ų143150.7 Ų150.775%0.74975%0.752SS**  trans-145.3170.4-155.8-80.1162000113.2
687K29.5Very low28.7Very low195 Ų195154.3 Ų154.385%0.84876%0.761SS**  trans88.4147.1170.5-62.4176.9178176.30115.2
688L28.7Very low29.2Very low149 Ų149153.7 Ų153.778%0.7876%0.764SS**  cis-143.3-160.43.4-126.8162.2000112.5
689L25.7Very low29.2Very low148 Ų148152.7 Ų152.778%0.77576%0.763SS**  trans-117.4159.7-152.2-73.5165.1000117.1
690S25.4Very low30.5Very low103 Ų103149.4 Ų149.472%0.7276%0.761SS**  trans67.9103.6141.1-66.80000123.5
691S27.9Very low31.6Very low108 Ų108144 Ų14476%0.75575%0.754SS**  16.1126.6120.1-48.80000121.7
692N27.2Very low31.6Very low157 Ų157142.9 Ų142.984%0.8476%0.761SS**  trans176.7152.8142.6-100.1-54.6000109.2
693K27.5Very low31.5Very low162 Ų162142 Ų14270%0.70477%0.772SS**  cis-174.9123.31.3172.3175.2170.3-174.60113
694K29.9Very low32.1Very low183 Ų183139.2 Ų139.280%0.79677%0.773SS**  trans65.6156.6155.4-69.3-177.4178.9-174.70119.5
695K28.3Very low32.4Very low179 Ų179141 Ų14178%0.77878%0.779SS**  cis-170.8150.9-26.8-166.5165.5178.5175.50111.9
696S26.6Very low32.5Very low105 Ų105139.8 Ų139.873%0.73477%0.773SS**  trans66126.3152.946.30000124.5
697R33.8Very low32.2Very low235 Ų235141.3 Ų141.389%0.88778%0.777SS**  trans4.9160.7133.9-96.9-161.8171.8-155.7-1.2120.8
698P41.3Very low32.2Very low114 Ų114136.5 Ų136.574%0.7477%0.773SS**  cis-138.9-171.923.143-24.1000118.1
699S28.1Very low32Very low105 Ų105137.2 Ų137.273%0.73477%0.773SS**  trans-113-167.6164.9-35.50000108.7
700P55.2Low32.2Very low117 Ų117138.2 Ų138.276%0.7677%0.773SS**  cis-128.9-133.4-11.941.1-19.1000109.6
701P53.7Low32.2Very low107 Ų107137.5 Ų137.570%0.69577%0.774SS**  cis-132.6171.7-30.437.9-19.8000116.9
702S27.8Very low32.2Very low108 Ų108137 Ų13776%0.75578%0.776SS**  trans29.8132145.8-49.70000126.1
703S31Very low32.3Very low114 Ų114134.9 Ų134.980%0.79778%0.78SS**  trans49.3141.2132.2-51.10000122.4
704P43.4Very low32.3Very low130 Ų130130.5 Ų130.584%0.84478%0.781SS**  -150.1-160.591.542.7-25.2000115.3
705T31.1Very low32.1Very low128 Ų128130.9 Ų130.979%0.78579%0.786SS**  trans-127.5165.4-175.3-38.60000111.2
706L30.4Very low32.1Very low145 Ų145127.7 Ų127.776%0.75978%0.781SS**  trans88.3121.8163.3-58.4177000119.9
707E23.8Very low32.3Very low176 Ų176128.8 Ų128.882%0.82278%0.778SS**  45.5126.8128.1-59.8-165.110600124.4
708A29.6Very low32.1Very low94 Ų94127.8 Ų127.878%0.77778%0.776SS**  91.7126.4126.100000123.2
709E25.6Very low31.4Very low164 Ų164125.5 Ų125.577%0.76677%0.772SS**  trans98.8144.9139.6-124-169.384.300121.8
710Q28.7Very low31.4Very low168 Ų168125.3 Ų125.379%0.78578%0.777SS**  trans72.6146.5162.8-59.7171.424.400119.5
711A26Very low30.2Very low89 Ų89126.3 Ų126.374%0.73678%0.781SS**  cis-168.1155.1-25.300000112.5
712A28.1Very low28.9Very low98 Ų98124.1 Ų124.181%0.8178%0.778SS**  trans78144.9149.600000122.9
713A28.2Very low29.6Very low111 Ų111124.5 Ų124.592%0.91778%0.778SS**  trans65.1124170.500000118.6
714G27.8Very low29.3Very low70 Ų70125.8 Ų125.872%0.72278%0.775SS**  cis177.1163.9-6.300000113.3
715E26.1Very low28.6Very low192 Ų192126 Ų12690%0.89778%0.775SS**  trans63.7150.9177.7-61.1-157.690.800116.6
716V28.1Very low28.3Very low112 Ų112125.1 Ų125.168%0.67977%0.774SS**  cis-165.6150.1-11.8127.40000106.7
717L31.2Very low29.3Very low127 Ų127123.7 Ų123.767%0.66577%0.773SS**  cis-165.4168-34-128.7-179.1000108.6
718Y29.5Very low30.2Very low215 Ų215120.3 Ų120.384%0.84377%0.767SS**  trans64.5130.3172.3-65.2-73.2000119.6
719G26.9Very low30Very low65 Ų65120.7 Ų120.767%0.6776%0.764SS**  cis161.7117-15.200000117.3
720A27.1Very low30Very low101 Ų101119.5 Ų119.584%0.83577%0.767SS**  trans61.7170.3154.100000117.6
721V30.2Very low30Very low139 Ų139116.8 Ų116.884%0.84277%0.767SS**  cis-139.7167.73.1-155.20000108.9
722G26.3Very low30Very low61 Ų61117.1 Ų117.163%0.62977%0.77SS**  trans-78.3-15615300000111.8
723P42.9Very low29.9Very low115 Ų115117.3 Ų117.375%0.74777%0.766SS**  cis-140.9-168.35.536.5-13.4000114.6
724D24.8Very low29.9Very low141 Ų141118.3 Ų118.375%0.75476%0.764SS**  trans68.2162.9138.5-112.9-56.3000124.6
725T28Very low30.1Very low135 Ų135122.4 Ų122.483%0.82877%0.769SS**  trans67.9169.6167.362.80000120.3
726S25.6Very low30.2Very low109 Ų109119.6 Ų119.676%0.76276%0.755SS**  trans-136.1-172.8-174.7610000109.8
727P49.9Very low30.6Very low115 Ų115120 Ų12075%0.74776%0.761SS**  -80.5-151.3-83.144.6-34.2000110.2
728P43.5Very low30.7Very low106 Ų106121 Ų12169%0.68876%0.762SS**  cis-132.8179.6-12.443.4-26.9000115.5
729S26.4Very low31.3Very low102 Ų102115.2 Ų115.271%0.71375%0.75SS**  trans40.8154.5142-59.50000124.9
730T25.8Very low31.4Very low138 Ų138116.7 Ų116.785%0.84776%0.757SS**  trans78.7147.716679.30000117.5
731S26.8Very low31.4Very low111 Ų111115.8 Ų115.878%0.77675%0.749SS**  cis-169.9150.4-25.9500000110.2
732A26.2Very low31.3Very low97 Ų97115.8 Ų115.880%0.80275%0.749SS**  trans-147.9116166.500000113.1
733S26.9Very low31.3Very low102 Ų102117.1 Ų117.171%0.71375%0.754SS**  trans36.297.7158.6-57.50000120.5
734C28.5Very low30.5Very low132 Ų132116.9 Ų116.989%0.89276%0.755SS**  -107.1136.5117-73.60000107.2
735L30.6Very low30.6Very low155 Ų155115.3 Ų115.381%0.81276%0.755SS**  trans-98.7105.9-179.1-71169.4000110.5
736E29.3Very low30.7Very low133 Ų133113.6 Ų113.662%0.62175%0.748SS**  31.3141.4116.1-76.7-60.8102.100120E738E736-E738 WeakPolarHBondContact OE2-CB 3.27Å; E736-E738 WeakPolarHBondContact OE2-CG 3.49Å; E736-E738 PolarHBondContact OE2-N 3.31Å
737P36.8Very low30.7Very low121 Ų121113.2 Ų113.279%0.78675%0.746SS**  cis-134.214746.533.8-14.8000120.4
738E32.5Very low29.7Very low149 Ų149115.2 Ų115.270%0.69675%0.749SS**  trans-10.9166.9136.2-81-108.7109.600119.5E736E736-E738 WeakPolarHBondContact OE2-CB 3.27Å; E736-E738 WeakPolarHBondContact OE2-CG 3.49Å; E736-E738 PolarHBondContact OE2-N 3.31Å
739P42.6Very low29.1Very low92 Ų92114.9 Ų114.960%0.59775%0.75SS**  cis-145.3178.3-25.137.8-19.7000116.7
740A28.2Very low29.3Very low97 Ų97115.6 Ų115.680%0.80276%0.755SS**  trans58.9157.1140.600000121.3
741A27.4Very low29.6Very low81 Ų81113.7 Ų113.767%0.66975%0.747SS**  cis-165.7-179.2-25.900000109.1
742V28Very low29.8Very low139 Ų139114 Ų11484%0.84275%0.749SS**  trans55108159.9-65.80000121.3
743A26.3Very low30.1Very low89 Ų89115 Ų11574%0.73675%0.751SS**  65.3121.712100000123
744S26.4Very low30.7Very low111 Ų111118.3 Ų118.378%0.77676%0.757SS**  trans89.8120.1131.6-64.10000122.8
745S27.4Very low31.8Very low107 Ų107117.1 Ų117.175%0.74875%0.747SS**  trans93.9153136.186.10000121.1
746S28.6Very low31.7Very low99 Ų99117.4 Ų117.469%0.69275%0.745SS**  trans71.781.2147.5-45.60000120.7
747S27Very low31.5Very low101 Ų101116 Ų11671%0.70675%0.75SS**  37.6140.2118.8660000123.5
748L29.5Very low31.3Very low157 Ų157114.7 Ų114.782%0.82274%0.743SS**  trans102.5141.3151-65.8155.6000119.9
749S30.3Very low31.3Very low100 Ų100115.6 Ų115.670%0.69975%0.747SS**  trans63.4117.7156.7350000119.1
750S30.5Very low31Very low116 Ų116121.4 Ų121.481%0.81176%0.757SS**  91.1147.780.6-66.30000112.7
751S31.5Very low31.2Very low98 Ų98127.4 Ų127.469%0.68576%0.759SS**  cis-172.2161.8-340.80000112.3
752S31.4Very low31.5Very low118 Ų118129.6 Ų129.683%0.82577%0.769SS**  trans70156.8155.672.70000118
753S31.7Very low31.7Very low119 Ų119126.1 Ų126.183%0.83276%0.762SS**  cis-138.3-1652061.10000115.6
754M39.4Very low33.4Very low170 Ų170127.5 Ų127.584%0.83776%0.763SS**  trans-132.3-174.5-155.3-97.3-76.1177.900110.2
755P52.7Low33.9Very low107 Ų107130 Ų13070%0.69577%0.767SS**  cis-145.3170.819.943.1-22.5000120.6
756E27.2Very low34Very low162 Ų162132.5 Ų132.576%0.75777%0.772SS**  120.6124125.4-146.375.3128.700121.8
757S26.6Very low34Very low104 Ų104131.1 Ų131.173%0.72777%0.773SS**  trans72.2145160.278.30000120.8
758S31.7Very low34.2Very low93 Ų93133.4 Ų133.465%0.6579%0.788SS**  cis-165.9145.4-20.5-106.50000114.8
759H33.6Very low34.5Very low167 Ų167130.4 Ų130.477%0.77379%0.785SS**  trans80.5109.6151.9-56.2-29.4000125.4
760R36.2Very low34.9Very low214 Ų214131.3 Ų131.381%0.80879%0.789SS**  trans62.3147.5135.1-62-173.9-175.4-85.18.7120.1
761R31.1Very low35.1Very low224 Ų224133.9 Ų133.985%0.84579%0.792SS**  cis-154.8163.76.9-122.8178.9-165.1-138.27.9109.7
762S35.2Very low35Very low126 Ų126133.6 Ų133.688%0.88180%0.795SS**  trans-142.6179179.956.70000112
763G32.3Very low35.1Very low67 Ų67133.6 Ų133.669%0.69179%0.792SS**  cis-155.9-127.43.500000109.2
764P60.3Low35.2Very low118 Ų118133.7 Ų133.777%0.76679%0.79SS**  cis-146.4164.7-26.942.5-24.1000118.1
765L37Very low35.2Very low162 Ų162130.9 Ų130.985%0.84879%0.785SS**  trans75.9161.4141-76.3168.8000127.1
766D29.5Very low34.3Very low161 Ų161137.2 Ų137.286%0.86180%0.795SS**  trans65.8142.1175.1-64.3-22.1000121.1
767G28.3Very low34.4Very low70 Ų70138.3 Ų138.372%0.72280%0.8SS**  cis177164.7-700000115.2
768C32.1Very low34.6Very low149 Ų149139.3 Ų139.3100%1.00780%0.804SS**  trans75.4158.8174.2-74.30000120.9
769A36.8Very low34.4Very low93 Ų93140.9 Ų140.977%0.76981%0.814SS**  trans-125.4174.2-163.200000114.4
770P38.2Very low34.4Very low119 Ų119138.7 Ų138.777%0.77382%0.817SS**  -152.4162.5111.940.6-24.3000118.2
771I33.2Very low34.1Very low171 Ų171134.1 Ų134.188%0.87782%0.818SS**  trans28.8137.4138.8-54.7174.1000120.6
772A30Very low34Very low92 Ų92131.5 Ų131.576%0.7682%0.82SS**  trans-88.1157.6-170.500000117.2
773P33.1Very low33.6Very low117 Ų117133.1 Ų133.176%0.7682%0.818SS**  trans-110.4152.4176.739.6-32.8000115.7
774P33.8Very low33.6Very low122 Ų122135.3 Ų135.379%0.79282%0.823SS**  trans-83.8163.7158.335.4-32.9000112.1
775P41Very low32.1Very low111 Ų111138.2 Ų138.272%0.72183%0.826SS**  trans-126.5155.7-141.943.6-32.1000118.8
776R33.6Very low31.9Very low240 Ų240139.4 Ų139.491%0.90683%0.827SS**  trans72.2112.2159.7-43.5-164.6-170.5-152.11.4120.5
777Q29.4Very low31.9Very low184 Ų184140 Ų14086%0.8682%0.824SS**  -144.1155.8124.1-86.6-146-19.700110.1
778P29.9Very low32.2Very low125 Ų125144.6 Ų144.681%0.81283%0.832SS**  trans-84.9138.6-175.333.2-34000112.9
779C27.3Very low32.2Very low127 Ų127141.8 Ų141.886%0.85882%0.82SS**  trans-122.2130.9177.9-69.80000112.1
780S34.1Very low32.1Very low120 Ų120148 Ų14884%0.83982%0.824SS**  trans-128.7108165.2-64.90000108.5
781S30.1Very low32Very low119 Ų119148.2 Ų148.283%0.83283%0.825SS**  trans-171.4104.6170.6-86.40000113.8
782L29.8Very low32.6Very low168 Ų168145.9 Ų145.988%0.8881%0.813SS**  trans-158.3139.7145.5-68.5-173.5000105.4
783L27Very low33.7Very low161 Ų161149.1 Ų149.184%0.84382%0.816SS**  cis-148.7138.6-9-163.778.1000106.9
784S31.1Very low35.3Very low113 Ų113145.7 Ų145.779%0.7979%0.794SS**  trans-111.1123.1174-1710000110Q786S784-Q786 PolarHBondContact O-N 2.88Å
785Q28.7Very low37.7Very low178 Ų178144.3 Ų144.383%0.83278%0.777SS**  trans-83.9111-176.6-168.9172.1-61.100110.1
786Q32.7Very low40.2Very low187 Ų187143.7 Ų143.787%0.87476%0.76SS**  trans-61.7144.3-179.9-67.3177.9-8300112.2S784S784-Q786 PolarHBondContact O-N 2.88Å
787H29.3Very low43.1Very low174 Ų174133.3 Ų133.381%0.80672%0.721SS**  trans-125.5143.5152.1-105-81.6000108.4A789H787-A789 PolarHBondContact O-N 3.26Å; H787-A789 VanDerWaalsContact O-N 3.09Å
788D35.2Very low46.3Very low166 Ų166129.7 Ų129.789%0.88870%0.699SS**  trans-48.1110.2-173.1-94.6-91.1000114.7
789A32.3Very low49.4Very low90 Ų90123.8 Ų123.874%0.74466%0.661SS**  trans-105.4114.9158.900000108.1H787H787-A789 PolarHBondContact O-N 3.26Å; H787-A789 VanDerWaalsContact O-N 3.09Å
790R34.4Very low52.5Low225 Ų225120.1 Ų120.185%0.84964%0.635SS**  trans-59.7143.1167.8-62.7179.9-176.7179-0.5108.5I792R790-I792 PolarHBondContact O-N 2.86Å
791P36.8Very low55.2Low123 Ų123117.8 Ų117.880%0.79962%0.615SS**  trans-62.1112175.725.9-33.3000109.3I793P791-I793 PolarHBondContact O-N 2.98Å
792I46Very low58.1Low121 Ų121115 Ų11562%0.62160%0.596SS**  trans-65130.7164.7-60.3174.7000106R790 C794R790-I792 PolarHBondContact O-N 2.86Å; I792-C794 PolarHBondContact O-N 2.7Å; I792-C794 PolarHBondContact O-SG 2.81Å; I792-C794 VanDerWaalsContact O-SG 3.4Å
793I51.9Low61Low161 Ų161108 Ų10883%0.82656%0.558SS**  trans-77.381.6175-56.9177.1000107P791 E795P791-I793 PolarHBondContact O-N 2.98Å; I793-E795 PolarHBondContact O-N 2.96Å
794C67.1Low63.9Low45 Ų45104.8 Ų104.830%0.30455%0.547SS..  trans-74104.3179.4-53.20000109.1I792 F820 H822I792-C794 PolarHBondContact O-N 2.7Å; I792-C794 PolarHBondContact O-SG 2.81Å; I792-C794 VanDerWaalsContact O-SG 3.4Å; C794-F820 HydrophobicContact CB-CB 4.15Å; C794-F820 HydrophobicContact CB-CD1 4.34Å; C794-H822 PolarHBondContact SG-ND1 3.07Å; C794-H822 VanDerWaalsContact SG-ND1 3.37Å
795E84.6Confident66.6Low92 Ų92101.9 Ų101.943%0.4353%0.525SS..EExtended strand (participates in β ladder)trans-62.4136.8176.1-66.1179.6-16900110.3I793 Y797 V821 K824I793-E795 PolarHBondContact O-N 2.96Å; E795-Y797 HydrophobicContact CB-CD2 4.19Å; E795-Y797 HydrophobicContact CB-CE2 3.83Å; E795-Y797 WeakPolarHBondContact OE2-CE2 3.08Å; E795-V821 PolarHBondContact N-O 3.06Å; E795-V821 PolarHBondContact O-N 2.83Å; E795-K824 IonicContact OE1-NZ 3.54Å; E795-K824 WeakPolarHBondContact OE2-CE 3.24Å; E795-K824 IonicContact OE2-NZ 3.47Å; E795-K824 PolarHBondContact OE2-NZ 2.81Å
796R93.5Very high68.9Low99 Ų99101.3 Ų101.337%0.37452%0.522SS..EExtended strand (participates in β ladder)trans-96.3134.4-177.5-155.1170.381130.7-5110.7I818 F820 I851R796-I818 HydrophobicContact CG-CG2 3.42Å; R796-I818 VanDerWaalsContact CG-CG2 3.42Å; R796-F820 HydrophobicContact CB-CD1 4.38Å; R796-F820 HydrophobicContact CB-CE1 4.33Å; R796-F820 HydrophobicContact CG-CD1 4.02Å; R796-F820 HydrophobicContact CG-CE1 3.76Å; R796-F820 HydrophobicContact CG-CZ 4.33Å; R796-I851 HydrophobicContact CB-CG1 4.34Å; R796-I851 HydrophobicContact CG-CD1 4.3Å; R796-I851 HydrophobicContact CG-CG1 4.32Å; R796-I851 PolarHBondContact O-N 2.85Å
797Y94.8Very high71.4Confident22 Ų2295 Ų959%0.08650%0.499CS..EExtended strand (participates in β ladder)trans-131.4142.5-173-87.7-94.2000110.1E795 I818 V819 V821 K824 F830 V848 D849E795-Y797 HydrophobicContact CB-CD2 4.19Å; E795-Y797 HydrophobicContact CB-CE2 3.83Å; E795-Y797 WeakPolarHBondContact OE2-CE2 3.08Å; Y797-I818 CarbonylContact O-C 3.5Å; Y797-I818 WeakPolarHBondContact O-CA 3.43Å; Y797-I818 WeakPolarHBondContact O-CG2 3.31Å; Y797-V819 PolarHBondContact N-O 3.37Å; Y797-V819 PolarHBondContact O-N 2.79Å; Y797-V821 HydrophobicContact CD2-CB 3.88Å; Y797-V821 HydrophobicContact CD2-CG2 3.34Å; Y797-V821 HydrophobicContact CE2-CB 4.13Å; Y797-V821 HydrophobicContact CE2-CG2 3.87Å; Y797-V821 HydrophobicContact CG-CG2 3.83Å; Y797-K824 VanDerWaalsContact OH-CE 3.31Å; Y797-K824 WeakPolarHBondContact OH-CE 3.26Å; Y797-K824 PolarHBondContact OH-NZ 2.82Å; Y797-F830 HydrophobicContact CD1-CE2 4.46Å; Y797-F830 AromaticContact CE1-CE2 3.98Å; Y797-F830 HydrophobicContact CE1-CE2 3.98Å; Y797-V848 HydrophobicContact CD1-CB 3.84Å; Y797-V848 HydrophobicContact CD1-CG2 3.43Å; Y797-V848 VanDerWaalsContact CD1-CG2 3.43Å; Y797-V848 HydrophobicContact CE1-CG2 4.11Å; Y797-V848 HydrophobicContact CG-CB 4.38Å; Y797-V848 HydrophobicContact CG-CG2 4.05Å; Y797-D849 CarbonylContact C-O 3.5Å; Y797-D849 VanDerWaalsContact CA-O 3.26Å; Y797-D849 WeakPolarHBondContact CA-O 3.26Å; Y797-D849 WeakPolarHBondContact CD1-O 3.37Å
798R95.3Very high74Confident107 Ų10793.8 Ų93.840%0.40449%0.494SS..EExtended strand (participates in β ladder)trans-102.9132.6172.2178.7-175.5-56.2-73.72.3109.2V800 I818 V848 D849 I851R798-V800 PolarHBondContact O-N 2.98Å; R798-I818 HydrophobicContact CB-CD1 3.95Å; R798-I818 HydrophobicContact CG-CD1 4.1Å; R798-V848 CarbonylContact O-C 3.54Å; R798-V848 WeakPolarHBondContact O-CA 3.35Å; R798-D849 PolarHBondContact N-O 2.96Å; R798-D849 PolarHBondContact O-N 3.18Å; R798-I851 HydrophobicContact CB-CD1 4.2Å; R798-I851 HydrophobicContact CB-CG1 4.4Å; R798-I851 HydrophobicContact CB-CG2 3.7Å
799V94.8Very high76.3Confident1 Ų188 Ų881%0.00647%0.468CS..EExtended strand (participates in β ladder)trans-67.9123.4169-177.40000109.7V801 L813 K814 G816 D817 V819 F847 V848V799-V801 WeakPolarHBondContact CG1-O 3.18Å; V799-L813 HydrophobicContact CB-CB 4.47Å; V799-L813 HydrophobicContact CG1-CB 3.72Å; V799-L813 HydrophobicContact CG1-CD1 4.28Å; V799-L813 HydrophobicContact CG2-CB 3.88Å; V799-L813 HydrophobicContact CG2-CD1 4.1Å; V799-L813 HydrophobicContact CG2-CD2 3.96Å; V799-L813 HydrophobicContact CG2-CG 4.21Å; V799-K814 VanDerWaalsContact CB-O 3.27Å; V799-K814 WeakPolarHBondContact CB-O 3.25Å; V799-K814 VanDerWaalsContact CG1-O 3.31Å; V799-K814 WeakPolarHBondContact CG1-O 3.49Å; V799-G816 PolarHBondContact O-N 3.28Å; V799-D817 HydrophobicContact CB-CB 4.34Å; V799-D817 HydrophobicContact CG2-CB 3.85Å; V799-D817 WeakPolarHBondContact CG2-O 2.17Å; V799-D817 PolarHBondContact N-O 3.36Å; V799-V819 HydrophobicContact CG2-CG2 3.94Å; V799-F847 WeakPolarHBondContact CA-O 3.41Å; V799-V848 HydrophobicContact CG2-CG1 4.1Å
800V92.5Very high79.1Confident50 Ų5084.7 Ų84.730%0.30344%0.438SS..SBendtrans-109.8-11.3177.3-66.90000113.2R798 F847 D849R798-V800 PolarHBondContact O-N 2.98Å; V800-F847 PolarHBondContact N-O 3.38Å; V800-D849 HydrophobicContact CG1-CB 4.11Å
801V92.3Very high81.9Confident71 Ų7174 Ų7443%0.4340%0.398SS..SBendtrans-139.3133.4170.4-177.30000108.8V799 F847V799-V801 WeakPolarHBondContact CG1-O 3.18Å; V801-F847 HydrophobicContact CB-CB 4.4Å; V801-F847 HydrophobicContact CB-CD1 3.58Å; V801-F847 HydrophobicContact CB-CE1 4.1Å; V801-F847 HydrophobicContact CB-CG 4.16Å; V801-F847 HydrophobicContact CG1-CD1 3.61Å; V801-F847 HydrophobicContact CG1-CE1 3.61Å; V801-F847 PolarHBondContact N-O 3.05Å; V801-F847 WeakPolarHBondContact O-CD1 3.29Å
802S91.1Very high84.5Confident61 Ų6171 Ų7143%0.42737%0.373SS..  trans-67.1138176.8-60.80000111.7L813 E815S802-L813 CarbonylContact C-O 3.48Å; S802-L813 WeakPolarHBondContact CA-O 3.41Å; S802-E815 PolarHBondContact OG-N 3.29Å
803Y90.4Very high86.8Confident20 Ų2065.3 Ų65.38%0.07834%0.344CS..BIsolated β-bridgetrans-128.3112.5-177.3-172.9-102.1000111.3E810 L813 W829 P844 F847Y803-E810 PolarHBondContact OH-OE2 3.37Å; Y803-E810 VanDerWaalsContact OH-OE2 3.13Å; Y803-L813 PolarHBondContact N-O 2.7Å; Y803-L813 PolarHBondContact O-N 2.9Å; Y803-W829 HydrophobicContact CE1-CZ3 4.5Å; Y803-W829 WeakPolarHBondContact OH-CH2 3.47Å; Y803-P844 HydrophobicContact CD2-CG 4.01Å; Y803-P844 HydrophobicContact CE2-CG 3.69Å; Y803-F847 AromaticContact CD2-CD1 3.98Å; Y803-F847 HydrophobicContact CD2-CD1 3.98Å; Y803-F847 AromaticContact CD2-CE1 3.72Å; Y803-F847 HydrophobicContact CD2-CE1 3.72Å; Y803-F847 HydrophobicContact CD2-CZ 4.03Å; Y803-F847 HydrophobicContact CG-CD1 4.38Å
804P87.9Confident88.7Confident94 Ų9462.3 Ų62.361%0.6133%0.325SS*.  trans-78.3130.917131.5-31.3000110
805P87.9Confident90Very high52 Ų5266.9 Ų66.934%0.33834%0.342SS..  trans-74.1132.8-177.231.6-33.6000110.7E810 E812P805-E810 HydrophobicContact CB-CB 3.62Å; P805-E812 HydrophobicContact CG-CB 4.06Å
806Q75.3Confident90.2Very high166 Ų16664.5 Ų64.578%0.77634%0.341SS*.SBendtrans-87.6-15176.9-55-168.9-18.800112.6E810Q806-E810 WeakPolarHBondContact CB-OE2 2.18Å; Q806-E810 PolarHBondContact N-OE2 2.9Å
807S86.2Confident90.2Very high54 Ų5460.7 Ų60.738%0.37833%0.328SS..SBendtrans-142.5166176.570.50000112.6A809 E810S807-A809 PolarHBondContact O-N 2.92Å; S807-E810 VanDerWaalsContact CB-OE1 3.29Å; S807-E810 WeakPolarHBondContact CB-OE1 2.16Å; S807-E810 PolarHBondContact N-OE1 2.83Å; S807-E810 VanDerWaalsContact N-OE1 3.14Å; S807-E810 PolarHBondContact O-N 2.83Å; S807-E810 VanDerWaalsContact O-N 3.1Å; S807-E810 WeakPolarHBondContact OG-CG 2.18Å; S807-E810 PolarHBondContact OG-OE1 2.83Å
808E83.1Confident90.2Very high150 Ų15060.5 Ų60.570%0.70133%0.329SS*.THydrogen-bonded Turntrans-65.2-21177.365.1-164.2128.800114.1E810E808-E810 VanDerWaalsContact C-N 3.35Å
809A84.4Confident90.2Very high43 Ų4355.4 Ų55.436%0.35531%0.31SS..THydrogen-bonded Turntrans-82.7-11175.100000113.3S807 G841 L842S807-A809 PolarHBondContact O-N 2.92Å; A809-G841 CarbonylContact O-C 3.54Å; A809-G841 VanDerWaalsContact O-CA 3.3Å; A809-G841 WeakPolarHBondContact O-CA 3.26Å; A809-L842 PolarHBondContact O-N 2.98Å
810E91.6Very high90.2Very high22 Ų2258.4 Ų58.410%0.10332%0.323CS..BIsolated β-bridgetrans-91.5152.9178.9-73.6159.6-118.900112.6Y803 P805 Q806 S807 E808 W829 L842Y803-E810 PolarHBondContact OH-OE2 3.37Å; Y803-E810 VanDerWaalsContact OH-OE2 3.13Å; P805-E810 HydrophobicContact CB-CB 3.62Å; Q806-E810 WeakPolarHBondContact CB-OE2 2.18Å; Q806-E810 PolarHBondContact N-OE2 2.9Å; S807-E810 VanDerWaalsContact CB-OE1 3.29Å; S807-E810 WeakPolarHBondContact CB-OE1 2.16Å; S807-E810 PolarHBondContact N-OE1 2.83Å; S807-E810 VanDerWaalsContact N-OE1 3.14Å; S807-E810 PolarHBondContact O-N 2.83Å; S807-E810 VanDerWaalsContact O-N 3.1Å; S807-E810 WeakPolarHBondContact OG-CG 2.18Å; S807-E810 PolarHBondContact OG-OE1 2.83Å; E808-E810 VanDerWaalsContact C-N 3.35Å; E810-W829 HydrophobicContact CG-CZ3 4.11Å; E810-L842 CarbonylContact C-O 3.5Å; E810-L842 VanDerWaalsContact CA-O 3.24Å; E810-L842 WeakPolarHBondContact CA-O 3.17Å; E810-L842 HydrophobicContact CG-CB 4.42Å
811L91.6Very high90.2Very high1 Ų156.4 Ų56.41%0.00531%0.31CS..  trans-100.3119.1-176-165.760.1000110.1L813 V819 L834 R839 L842 F843L811-L813 HydrophobicContact CB-CD2 4.31Å; L811-L813 HydrophobicContact CD2-CD2 3.94Å; L811-L813 HydrophobicContact CG-CD2 3.96Å; L811-L813 PolarHBondContact O-N 2.84Å; L811-L813 VanDerWaalsContact O-N 3.16Å; L811-V819 HydrophobicContact CD2-CG1 4.22Å; L811-L834 HydrophobicContact CD1-CB 4.14Å; L811-L834 HydrophobicContact CD2-CB 4.13Å; L811-L834 HydrophobicContact CG-CB 4.39Å; L811-R839 HydrophobicContact CD1-CB 3.77Å; L811-R839 WeakPolarHBondContact CD1-O 3.37Å; L811-L842 PolarHBondContact N-O 3.08Å; L811-F843 HydrophobicContact CB-CB 4.49Å; L811-F843 HydrophobicContact CB-CD1 4.09Å; L811-F843 HydrophobicContact CD2-CD1 3.79Å; L811-F843 HydrophobicContact CD2-CE1 3.99Å
812E92.9Very high90Very high59 Ų5956.6 Ų56.628%0.27631%0.307SS..  trans-62.3114168-175.4-164.1-174.800109.2P805 K814P805-E812 HydrophobicContact CG-CB 4.06Å; E812-K814 WeakPolarHBondContact OE1-CE 3.48Å; E812-K814 IonicContact OE1-NZ 2.99Å; E812-K814 PolarHBondContact OE1-NZ 3.23Å
813L93.6Very high89.7Confident2 Ų258 Ų581%0.0130%0.302CS..BIsolated β-bridgetrans-104.6136.5175.5-54.7-175.2000110.1V799 S802 Y803 L811 V819 L834 F843 F847 V848V799-L813 HydrophobicContact CB-CB 4.47Å; V799-L813 HydrophobicContact CG1-CB 3.72Å; V799-L813 HydrophobicContact CG1-CD1 4.28Å; V799-L813 HydrophobicContact CG2-CB 3.88Å; V799-L813 HydrophobicContact CG2-CD1 4.1Å; V799-L813 HydrophobicContact CG2-CD2 3.96Å; V799-L813 HydrophobicContact CG2-CG 4.21Å; S802-L813 CarbonylContact C-O 3.48Å; S802-L813 WeakPolarHBondContact CA-O 3.41Å; Y803-L813 PolarHBondContact N-O 2.7Å; Y803-L813 PolarHBondContact O-N 2.9Å; L811-L813 HydrophobicContact CB-CD2 4.31Å; L811-L813 HydrophobicContact CD2-CD2 3.94Å; L811-L813 HydrophobicContact CG-CD2 3.96Å; L811-L813 PolarHBondContact O-N 2.84Å; L811-L813 VanDerWaalsContact O-N 3.16Å; L813-V819 HydrophobicContact CD2-CG2 3.8Å; L813-L834 HydrophobicContact CD2-CD1 4.07Å; L813-F843 HydrophobicContact CD1-CB 3.71Å; L813-F843 HydrophobicContact CD1-CD2 3.77Å; L813-F843 HydrophobicContact CD1-CG 3.85Å; L813-F843 HydrophobicContact CD2-CB 4.36Å; L813-F843 HydrophobicContact CD2-CD1 4.41Å; L813-F843 HydrophobicContact CD2-CG 4.21Å; L813-F843 HydrophobicContact CG-CB 4.09Å; L813-F843 HydrophobicContact CG-CG 4.37Å; L813-F847 HydrophobicContact CD1-CB 4.23Å; L813-V848 HydrophobicContact CD1-CG1 4.12Å
814K92Very high89.7Confident97 Ų9761.5 Ų61.542%0.42232%0.318SS..  trans-116.5139.6167.4-55-165.7-177.4-166.30109.4V799 E812 G816 D817V799-K814 VanDerWaalsContact CB-O 3.27Å; V799-K814 WeakPolarHBondContact CB-O 3.25Å; V799-K814 VanDerWaalsContact CG1-O 3.31Å; V799-K814 WeakPolarHBondContact CG1-O 3.49Å; E812-K814 WeakPolarHBondContact OE1-CE 3.48Å; E812-K814 IonicContact OE1-NZ 2.99Å; E812-K814 PolarHBondContact OE1-NZ 3.23Å; K814-G816 PolarHBondContact O-N 3.49Å; K814-D817 PolarHBondContact N-OD2 2.95Å; K814-D817 WeakPolarHBondContact O-CB 3.25Å; K814-D817 PolarHBondContact O-N 2.85Å
815E93.6Very high89.5Confident142 Ų14261.2 Ų61.266%0.66431%0.305SS*.THydrogen-bonded Turntrans-50.3130.1177.3-167.9179.614700111.1S802S802-E815 PolarHBondContact OG-N 3.29Å
816G88.9Confident89Confident41 Ų4167 Ų6742%0.42333%0.328SS..THydrogen-bonded Turntrans87.9-17-173.500000116V799 K814V799-G816 PolarHBondContact O-N 3.28Å; K814-G816 PolarHBondContact O-N 3.49Å
817D94.7Very high89.1Confident19 Ų1963.2 Ų63.210%0.10231%0.312CS..  trans-58.1154171.8-88.3-35.4000110.9V799 K814 L834 R836V799-D817 HydrophobicContact CB-CB 4.34Å; V799-D817 HydrophobicContact CG2-CB 3.85Å; V799-D817 WeakPolarHBondContact CG2-O 2.17Å; V799-D817 PolarHBondContact N-O 3.36Å; K814-D817 PolarHBondContact N-OD2 2.95Å; K814-D817 WeakPolarHBondContact O-CB 3.25Å; K814-D817 PolarHBondContact O-N 2.85Å; D817-L834 HydrophobicContact CB-CD1 3.71Å; D817-R836 VanDerWaalsContact CG-NE 3.35Å; D817-R836 VanDerWaalsContact OD1-CD 3.31Å; D817-R836 WeakPolarHBondContact OD1-CD 3.31Å; D817-R836 IonicContact OD1-CZ 3.19Å; D817-R836 IonicContact OD1-NE 2.81Å; D817-R836 PolarHBondContact OD1-NE 2.85Å; D817-R836 IonicContact OD1-NH2 3.79Å; D817-R836 IonicContact OD2-CZ 2.69Å; D817-R836 IonicContact OD2-NE 2.7Å; D817-R836 PolarHBondContact OD2-NE 2.81Å; D817-R836 VanDerWaalsContact OD2-NE 3.12Å; D817-R836 IonicContact OD2-NH2 3.45Å; D817-R836 PolarHBondContact OD2-NH2 3.11Å
818I94.4Very high89Confident19 Ų1962.5 Ų62.510%0.09731%0.313CS..EExtended strand (participates in β ladder)trans-107.6137.6174.4-56-50.5000110R796 Y797 R798 Q835 I851R796-I818 HydrophobicContact CG-CG2 3.42Å; R796-I818 VanDerWaalsContact CG-CG2 3.42Å; Y797-I818 CarbonylContact O-C 3.5Å; Y797-I818 WeakPolarHBondContact O-CA 3.43Å; Y797-I818 WeakPolarHBondContact O-CG2 3.31Å; R798-I818 HydrophobicContact CB-CD1 3.95Å; R798-I818 HydrophobicContact CG-CD1 4.1Å; I818-Q835 HydrophobicContact CB-CB 3.96Å; I818-Q835 HydrophobicContact CG2-CB 4.28Å; I818-Q835 VanDerWaalsContact CG2-OE1 3.27Å; I818-Q835 WeakPolarHBondContact O-CB 3.02Å; I818-Q835 PolarHBondContact O-N 3.25Å; I818-I851 HydrophobicContact CD1-CD1 3.57Å; I818-I851 HydrophobicContact CG1-CD1 4.48Å; I818-I851 HydrophobicContact CG2-CD1 4.44Å
819V95.1Very high89.5Confident0 Ų058.7 Ų58.70%029%0.293CS..EExtended strand (participates in β ladder)trans-123.3139.5175.1-169.70000109.8Y797 V799 L811 L813 T833 L834 F843Y797-V819 PolarHBondContact N-O 3.37Å; Y797-V819 PolarHBondContact O-N 2.79Å; V799-V819 HydrophobicContact CG2-CG2 3.94Å; L811-V819 HydrophobicContact CD2-CG1 4.22Å; L813-V819 HydrophobicContact CD2-CG2 3.8Å; V819-T833 WeakPolarHBondContact CA-O 3.34Å; V819-L834 HydrophobicContact CG2-CD1 3.67Å; V819-F843 HydrophobicContact CB-CZ 4.18Å; V819-F843 HydrophobicContact CG1-CE1 3.57Å; V819-F843 HydrophobicContact CG1-CZ 3.5Å; V819-F843 HydrophobicContact CG2-CZ 4.42Å
820F94.2Very high89.9Confident64 Ų6457.9 Ų57.928%0.28128%0.281SS..EExtended strand (participates in β ladder)trans-94.2113.8166.5-65.6-80.3000108.9C794 R796 G832 T833 Q835C794-F820 HydrophobicContact CB-CB 4.15Å; C794-F820 HydrophobicContact CB-CD1 4.34Å; R796-F820 HydrophobicContact CB-CD1 4.38Å; R796-F820 HydrophobicContact CB-CE1 4.33Å; R796-F820 HydrophobicContact CG-CD1 4.02Å; R796-F820 HydrophobicContact CG-CE1 3.76Å; R796-F820 HydrophobicContact CG-CZ 4.33Å; F820-G832 CarbonylContact O-C 3.53Å; F820-G832 WeakPolarHBondContact O-CA 3.48Å; F820-T833 PolarHBondContact N-O 3.39Å; F820-T833 PolarHBondContact O-N 3.16Å; F820-Q835 HydrophobicContact CD2-CB 4.41Å; F820-Q835 HydrophobicContact CE2-CB 3.85Å; F820-Q835 HydrophobicContact CE2-CG 3.91Å
821V93.2Very high90Very high7 Ų759.3 Ų59.34%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-82.5123.3178.9173.10000109.4E795 Y797 K824 F830 F843E795-V821 PolarHBondContact N-O 3.06Å; E795-V821 PolarHBondContact O-N 2.83Å; Y797-V821 HydrophobicContact CD2-CB 3.88Å; Y797-V821 HydrophobicContact CD2-CG2 3.34Å; Y797-V821 HydrophobicContact CE2-CB 4.13Å; Y797-V821 HydrophobicContact CE2-CG2 3.87Å; Y797-V821 HydrophobicContact CG-CG2 3.83Å; V821-K824 HydrophobicContact CG1-CG 3.79Å; V821-F830 HydrophobicContact CG1-CB 4.23Å; V821-F830 HydrophobicContact CG1-CD2 4.42Å; V821-F830 HydrophobicContact CG1-CG 4.35Å; V821-F830 HydrophobicContact CG2-CB 4.25Å; V821-F830 HydrophobicContact CG2-CD2 3.87Å; V821-F830 HydrophobicContact CG2-CG 4.41Å; V821-F843 HydrophobicContact CG2-CZ 4.02Å
822H87.9Confident90Very high76 Ų7659.3 Ų59.335%0.35229%0.287SS..EExtended strand (participates in β ladder)trans-98.2-32176.5-57.7-62.8000112.3C794 K831 T833C794-H822 PolarHBondContact SG-ND1 3.07Å; C794-H822 VanDerWaalsContact SG-ND1 3.37Å; H822-K831 PolarHBondContact N-O 2.92Å; H822-T833 PolarHBondContact NE2-OG1 3.07Å
823R85.4Confident90.1Very high90 Ų9057.8 Ų57.834%0.3428%0.282SS..EExtended strand (participates in β ladder)trans-149.8134.2-179.6-158.9-177.8-159.3146.315.5110.2D8 E11 F830 K831D8-R823 IonicContact OD1-CZ 3.12Å; D8-R823 IonicContact OD1-NH2 2.73Å; D8-R823 PolarHBondContact OD1-NH2 2.94Å; D8-R823 IonicContact OD2-NH2 3.64Å; D8-R823 PolarHBondContact OD2-NH2 2.91Å; E11-R823 VanDerWaalsContact CD-NH1 3.27Å; E11-R823 IonicContact OE1-CZ 2.59Å; E11-R823 IonicContact OE1-NH1 3.57Å; E11-R823 PolarHBondContact OE1-NH1 3.13Å; E11-R823 IonicContact OE1-NH2 3.82Å; E11-R823 IonicContact OE2-NH1 2.78Å; E11-R823 PolarHBondContact OE2-NH1 3.37Å; E11-R823 VanDerWaalsContact OE2-NH1 3.12Å; R823-F830 CarbonylContact O-C 3.5Å; R823-F830 WeakPolarHBondContact O-CA 2.95Å; R823-K831 HydrophobicContact CB-CB 4.34Å; R823-K831 PolarHBondContact N-O 3.01Å; R823-K831 PolarHBondContact O-N 3.35Å
824K90.5Very high90.1Very high93 Ų9357.7 Ų57.740%0.40428%0.282SS..EExtended strand (participates in β ladder)trans-102.7135167.2-56.2176.9-173.7166.80107.8E795 Y797 V821 F830E795-K824 IonicContact OE1-NZ 3.54Å; E795-K824 WeakPolarHBondContact OE2-CE 3.24Å; E795-K824 IonicContact OE2-NZ 3.47Å; E795-K824 PolarHBondContact OE2-NZ 2.81Å; Y797-K824 VanDerWaalsContact OH-CE 3.31Å; Y797-K824 WeakPolarHBondContact OH-CE 3.26Å; Y797-K824 PolarHBondContact OH-NZ 2.82Å; V821-K824 HydrophobicContact CG1-CG 3.79Å; K824-F830 HydrophobicContact CB-CD1 3.69Å; K824-F830 HydrophobicContact CB-CE1 3.76Å; K824-F830 HydrophobicContact CD-CD1 4.43Å; K824-F830 HydrophobicContact CD-CE1 3.97Å; K824-F830 HydrophobicContact CD-CZ 4.08Å; K824-F830 HydrophobicContact CG-CD1 3.63Å; K824-F830 HydrophobicContact CG-CE1 3.65Å; K824-F830 HydrophobicContact CG-CG 4.13Å; K824-F830 HydrophobicContact CG-CZ 4.14Å
825R82.9Confident90.1Very high89 Ų8958 Ų5834%0.33629%0.285SS..  trans-103.5156.8174-68.4-164.9-51.9-138.35.6110.8D827 G828 W829R825-D827 WeakPolarHBondContact CB-OD1 3.41Å; R825-D827 IonicContact CZ-OD2 2.7Å; R825-D827 IonicContact NE-OD1 2.79Å; R825-D827 PolarHBondContact NE-OD1 3.31Å; R825-D827 IonicContact NE-OD2 3.06Å; R825-D827 PolarHBondContact NE-OD2 3.11Å; R825-D827 IonicContact NH2-OD2 2.96Å; R825-D827 PolarHBondContact NH2-OD2 3.02Å; R825-D827 PolarHBondContact O-N 3.47Å; R825-G828 PolarHBondContact O-N 2.93Å; R825-W829 WeakPolarHBondContact CB-O 3.44Å; R825-W829 PolarHBondContact N-O 2.91Å
826E77.4Confident89.9Confident174 Ų17457.1 Ų57.181%0.81328%0.275SS*.THydrogen-bonded Turntrans-71.8-11.8179.359.1-168-175.500114N332 G828N332-E826 PolarHBondContact ND2-OE1 3.35Å; E826-G828 PolarHBondContact O-N 3.47Å
827D77.1Confident89.9Confident85 Ų8558.1 Ų58.146%0.45527%0.271SS..THydrogen-bonded Turntrans-77.2-2.8169.466.3-3.9000113.7R825 W829R825-D827 WeakPolarHBondContact CB-OD1 3.41Å; R825-D827 IonicContact CZ-OD2 2.7Å; R825-D827 IonicContact NE-OD1 2.79Å; R825-D827 PolarHBondContact NE-OD1 3.31Å; R825-D827 IonicContact NE-OD2 3.06Å; R825-D827 PolarHBondContact NE-OD2 3.11Å; R825-D827 IonicContact NH2-OD2 2.96Å; R825-D827 PolarHBondContact NH2-OD2 3.02Å; R825-D827 PolarHBondContact O-N 3.47Å; D827-W829 WeakPolarHBondContact OD1-CB 3.24Å; D827-W829 PolarHBondContact OD1-N 2.86Å
828G85.6Confident89.6Confident39 Ų3959.6 Ų59.640%0.40229%0.291SS..SBendtrans84.75.9-175.900000115.1R825 E826 G845R825-G828 PolarHBondContact O-N 2.93Å; E826-G828 PolarHBondContact O-N 3.47Å; G828-G845 WeakPolarHBondContact O-CA 3.32Å; G828-G845 PolarHBondContact O-N 2.88Å
829W91.7Very high89.3Confident70 Ų7064 Ų6427%0.26531%0.306SS..EExtended strand (participates in β ladder)trans-97.8143.4176.1-70.371.4000112.2Y803 E810 R825 D827 L842 F843 P844Y803-W829 HydrophobicContact CE1-CZ3 4.5Å; Y803-W829 WeakPolarHBondContact OH-CH2 3.47Å; E810-W829 HydrophobicContact CG-CZ3 4.11Å; R825-W829 WeakPolarHBondContact CB-O 3.44Å; R825-W829 PolarHBondContact N-O 2.91Å; D827-W829 WeakPolarHBondContact OD1-CB 3.24Å; D827-W829 PolarHBondContact OD1-N 2.86Å; W829-L842 HydrophobicContact CE3-CB 4.13Å; W829-L842 HydrophobicContact CZ3-CB 4.46Å; W829-F843 WeakPolarHBondContact CA-O 3.48Å; W829-P844 HydrophobicContact CD2-CG 4.45Å; W829-P844 HydrophobicContact CE3-CG 4.28Å; W829-P844 HydrophobicContact CH2-CG 3.99Å; W829-P844 HydrophobicContact CZ2-CG 4.14Å; W829-P844 HydrophobicContact CZ3-CG 4.04Å
830F93.5Very high89.1Confident27 Ų2767.5 Ų67.512%0.11833%0.328CS..EExtended strand (participates in β ladder)trans-110.8142.7176.7-58.5-12000110.1Y797 V821 R823 K824 L842 F843 G845 V848Y797-F830 HydrophobicContact CD1-CE2 4.46Å; Y797-F830 AromaticContact CE1-CE2 3.98Å; Y797-F830 HydrophobicContact CE1-CE2 3.98Å; V821-F830 HydrophobicContact CG1-CB 4.23Å; V821-F830 HydrophobicContact CG1-CD2 4.42Å; V821-F830 HydrophobicContact CG1-CG 4.35Å; V821-F830 HydrophobicContact CG2-CB 4.25Å; V821-F830 HydrophobicContact CG2-CD2 3.87Å; V821-F830 HydrophobicContact CG2-CG 4.41Å; R823-F830 CarbonylContact O-C 3.5Å; R823-F830 WeakPolarHBondContact O-CA 2.95Å; K824-F830 HydrophobicContact CB-CD1 3.69Å; K824-F830 HydrophobicContact CB-CE1 3.76Å; K824-F830 HydrophobicContact CD-CD1 4.43Å; K824-F830 HydrophobicContact CD-CE1 3.97Å; K824-F830 HydrophobicContact CD-CZ 4.08Å; K824-F830 HydrophobicContact CG-CD1 3.63Å; K824-F830 HydrophobicContact CG-CE1 3.65Å; K824-F830 HydrophobicContact CG-CG 4.13Å; K824-F830 HydrophobicContact CG-CZ 4.14Å; F830-L842 WeakPolarHBondContact O-CA 3.48Å; F830-F843 HydrophobicContact CB-CD2 4.36Å; F830-F843 HydrophobicContact CB-CE1 4.31Å; F830-F843 HydrophobicContact CB-CE2 3.73Å; F830-F843 HydrophobicContact CB-CZ 3.7Å; F830-F843 HydrophobicContact CD2-CE2 4.02Å; F830-F843 HydrophobicContact CD2-CZ 4.48Å; F830-F843 HydrophobicContact CG-CE2 4.34Å; F830-F843 PolarHBondContact N-O 3.1Å; F830-F843 PolarHBondContact O-N 2.9Å; F830-G845 VanDerWaalsContact CE2-CA 3.47Å; F830-V848 HydrophobicContact CD2-CG2 3.78Å; F830-V848 HydrophobicContact CE2-CG2 3.8Å
831K93.2Very high89Confident52 Ų5264.9 Ų64.923%0.22632%0.318CS..EExtended strand (participates in β ladder)trans-99.3123.9165.7-176.9172.6173.5173.50107.8C15 L16 H822 R823 T840 G841 L842C15-K831 PolarHBondContact O-NZ 3.34Å; L16-K831 HydrophobicContact CD1-CD 4.32Å; L16-K831 PolarHBondContact O-NZ 2.84Å; H822-K831 PolarHBondContact N-O 2.92Å; R823-K831 HydrophobicContact CB-CB 4.34Å; R823-K831 PolarHBondContact N-O 3.01Å; R823-K831 PolarHBondContact O-N 3.35Å; K831-T840 HydrophobicContact CG-CG2 4.47Å; K831-G841 WeakPolarHBondContact CA-O 3.44Å; K831-L842 HydrophobicContact CB-CD2 3.88Å; K831-L842 HydrophobicContact CG-CD2 4.3Å
832G93.1Very high89Confident0 Ų065.8 Ų65.80%032%0.323CS..EExtended strand (participates in β ladder)trans-158.1169.2-175.800000113.8F820 T840 G841F820-G832 CarbonylContact O-C 3.53Å; F820-G832 WeakPolarHBondContact O-CA 3.48Å; G832-T840 VanDerWaalsContact O-CA 3.3Å; G832-T840 WeakPolarHBondContact O-CA 3.44Å; G832-T840 WeakPolarHBondContact O-CG2 3.24Å; G832-G841 PolarHBondContact N-O 3.05Å; G832-G841 VanDerWaalsContact N-O 3.11Å; G832-G841 PolarHBondContact O-N 2.97Å
833T93.7Very high89.3Confident28 Ų2862.2 Ų62.217%0.17231%0.306CS..EExtended strand (participates in β ladder)trans-111.1125.3179.7-540000110.7V819 F820 H822 Q835 G838 R839 T840V819-T833 WeakPolarHBondContact CA-O 3.34Å; F820-T833 PolarHBondContact N-O 3.39Å; F820-T833 PolarHBondContact O-N 3.16Å; H822-T833 PolarHBondContact NE2-OG1 3.07Å; T833-Q835 PolarHBondContact O-N 2.96Å; T833-G838 WeakPolarHBondContact CG2-O 3.23Å; T833-R839 CarbonylContact C-O 3.56Å; T833-R839 WeakPolarHBondContact CA-O 3.43Å; T833-T840 PolarHBondContact OG1-OG1 2.89Å
834L93.8Very high89.6Confident0 Ų058.6 Ų58.60%030%0.295CS..EExtended strand (participates in β ladder)trans-72.2124.3177.5-163.174.6000110.4L811 L813 D817 V819 R836 N837 G838 R839L811-L834 HydrophobicContact CD1-CB 4.14Å; L811-L834 HydrophobicContact CD2-CB 4.13Å; L811-L834 HydrophobicContact CG-CB 4.39Å; L813-L834 HydrophobicContact CD2-CD1 4.07Å; D817-L834 HydrophobicContact CB-CD1 3.71Å; V819-L834 HydrophobicContact CG2-CD1 3.67Å; L834-R836 HydrophobicContact CD2-CB 4.27Å; L834-R836 HydrophobicContact CG-CB 4.38Å; L834-R836 PolarHBondContact O-N 3.14Å; L834-N837 WeakPolarHBondContact CB-OD1 3.37Å; L834-N837 PolarHBondContact O-N 3.18Å; L834-G838 WeakPolarHBondContact O-CA 3.48Å; L834-G838 PolarHBondContact O-N 2.99Å; L834-R839 PolarHBondContact N-O 3.35Å
835Q92.2Very high89.6Confident104 Ų10454.6 Ų54.649%0.48628%0.28SS..THydrogen-bonded Turntrans-61.1-30.2-179.2-173.8167.98.300112.5I818 F820 T833I818-Q835 HydrophobicContact CB-CB 3.96Å; I818-Q835 HydrophobicContact CG2-CB 4.28Å; I818-Q835 VanDerWaalsContact CG2-OE1 3.27Å; I818-Q835 WeakPolarHBondContact O-CB 3.02Å; I818-Q835 PolarHBondContact O-N 3.25Å; F820-Q835 HydrophobicContact CD2-CB 4.41Å; F820-Q835 HydrophobicContact CE2-CB 3.85Å; F820-Q835 HydrophobicContact CE2-CG 3.91Å; T833-Q835 PolarHBondContact O-N 2.96Å
836R89.9Confident90Very high122 Ų12255 Ų5546%0.4630%0.296SS..THydrogen-bonded Turntrans-72-30.7-176.1178.8171.254.279.60.6114.6D817 L834D817-R836 VanDerWaalsContact CG-NE 3.35Å; D817-R836 VanDerWaalsContact OD1-CD 3.31Å; D817-R836 WeakPolarHBondContact OD1-CD 3.31Å; D817-R836 IonicContact OD1-CZ 3.19Å; D817-R836 IonicContact OD1-NE 2.81Å; D817-R836 PolarHBondContact OD1-NE 2.85Å; D817-R836 IonicContact OD1-NH2 3.79Å; D817-R836 IonicContact OD2-CZ 2.69Å; D817-R836 IonicContact OD2-NE 2.7Å; D817-R836 PolarHBondContact OD2-NE 2.81Å; D817-R836 VanDerWaalsContact OD2-NE 3.12Å; D817-R836 IonicContact OD2-NH2 3.45Å; D817-R836 PolarHBondContact OD2-NH2 3.11Å; L834-R836 HydrophobicContact CD2-CB 4.27Å; L834-R836 HydrophobicContact CG-CB 4.38Å; L834-R836 PolarHBondContact O-N 3.14Å
837N88Confident90.6Very high63 Ų6349.4 Ų49.434%0.33727%0.269SS..THydrogen-bonded Turntrans-139.11.5-173.26912.6000115L834 R839L834-N837 WeakPolarHBondContact CB-OD1 3.37Å; L834-N837 PolarHBondContact O-N 3.18Å; N837-R839 PolarHBondContact O-N 2.77Å; N837-R839 VanDerWaalsContact O-N 3.07Å; N837-R839 VanDerWaalsContact OD1-CB 3.29Å; N837-R839 WeakPolarHBondContact OD1-CB 2.93Å; N837-R839 PolarHBondContact OD1-N 3.03Å
838G88.2Confident91.4Very high50 Ų5045.7 Ų45.752%0.51525%0.25SC..  trans67.72.4179.800000115.2T833 L834T833-G838 WeakPolarHBondContact CG2-O 3.23Å; L834-G838 WeakPolarHBondContact O-CA 3.48Å; L834-G838 PolarHBondContact O-N 2.99Å
839R89.3Confident91.7Very high110 Ų11048.6 Ų48.642%0.41526%0.256SS..  trans-68.2135.9175.6-68.4-17664.5-162.9-4.8109.4L811 T833 L834 N837L811-R839 HydrophobicContact CD1-CB 3.77Å; L811-R839 WeakPolarHBondContact CD1-O 3.37Å; T833-R839 CarbonylContact C-O 3.56Å; T833-R839 WeakPolarHBondContact CA-O 3.43Å; L834-R839 PolarHBondContact N-O 3.35Å; N837-R839 PolarHBondContact O-N 2.77Å; N837-R839 VanDerWaalsContact O-N 3.07Å; N837-R839 VanDerWaalsContact OD1-CB 3.29Å; N837-R839 WeakPolarHBondContact OD1-CB 2.93Å; N837-R839 PolarHBondContact OD1-N 3.03Å
840T90.9Very high91.6Very high75 Ų7549.2 Ų49.246%0.4627%0.271SS..EExtended strand (participates in β ladder)trans-109.4134.5174.4-55.80000108.5K831 G832 T833K831-T840 HydrophobicContact CG-CG2 4.47Å; G832-T840 VanDerWaalsContact O-CA 3.3Å; G832-T840 WeakPolarHBondContact O-CA 3.44Å; G832-T840 WeakPolarHBondContact O-CG2 3.24Å; T833-T840 PolarHBondContact OG1-OG1 2.89Å
841G91.6Very high91.1Very high8 Ų853 Ų538%0.08229%0.291CS..EExtended strand (participates in β ladder)trans-168.1-175.5-177.700000112.6A809 K831 G832A809-G841 CarbonylContact O-C 3.54Å; A809-G841 VanDerWaalsContact O-CA 3.3Å; A809-G841 WeakPolarHBondContact O-CA 3.26Å; K831-G841 WeakPolarHBondContact CA-O 3.44Å; G832-G841 PolarHBondContact N-O 3.05Å; G832-G841 VanDerWaalsContact N-O 3.11Å; G832-G841 PolarHBondContact O-N 2.97Å
842L93.8Very high91Very high27 Ų2753 Ų5314%0.14129%0.294CS..EExtended strand (participates in β ladder)trans-94.6142.4176.7-60.2176.4000111.1L16 A809 E810 L811 W829 F830 K831L16-L842 HydrophobicContact CD1-CD1 4.29Å; L16-L842 HydrophobicContact CD1-CD2 4.03Å; A809-L842 PolarHBondContact O-N 2.98Å; E810-L842 CarbonylContact C-O 3.5Å; E810-L842 VanDerWaalsContact CA-O 3.24Å; E810-L842 WeakPolarHBondContact CA-O 3.17Å; E810-L842 HydrophobicContact CG-CB 4.42Å; L811-L842 PolarHBondContact N-O 3.08Å; W829-L842 HydrophobicContact CE3-CB 4.13Å; W829-L842 HydrophobicContact CZ3-CB 4.46Å; F830-L842 WeakPolarHBondContact O-CA 3.48Å; K831-L842 HydrophobicContact CB-CD2 3.88Å; K831-L842 HydrophobicContact CG-CD2 4.3Å
843F94.1Very high90.8Very high0 Ų055.8 Ų55.80%031%0.31CS..EExtended strand (participates in β ladder)trans-153.3157.1172.255.4-84.9000110.6L811 L813 V819 V821 W829 F830 G845 V848L811-F843 HydrophobicContact CB-CB 4.49Å; L811-F843 HydrophobicContact CB-CD1 4.09Å; L811-F843 HydrophobicContact CD2-CD1 3.79Å; L811-F843 HydrophobicContact CD2-CE1 3.99Å; L813-F843 HydrophobicContact CD1-CB 3.71Å; L813-F843 HydrophobicContact CD1-CD2 3.77Å; L813-F843 HydrophobicContact CD1-CG 3.85Å; L813-F843 HydrophobicContact CD2-CB 4.36Å; L813-F843 HydrophobicContact CD2-CD1 4.41Å; L813-F843 HydrophobicContact CD2-CG 4.21Å; L813-F843 HydrophobicContact CG-CB 4.09Å; L813-F843 HydrophobicContact CG-CG 4.37Å; V819-F843 HydrophobicContact CB-CZ 4.18Å; V819-F843 HydrophobicContact CG1-CE1 3.57Å; V819-F843 HydrophobicContact CG1-CZ 3.5Å; V819-F843 HydrophobicContact CG2-CZ 4.42Å; V821-F843 HydrophobicContact CG2-CZ 4.02Å; W829-F843 WeakPolarHBondContact CA-O 3.48Å; F830-F843 HydrophobicContact CB-CD2 4.36Å; F830-F843 HydrophobicContact CB-CE1 4.31Å; F830-F843 HydrophobicContact CB-CE2 3.73Å; F830-F843 HydrophobicContact CB-CZ 3.7Å; F830-F843 HydrophobicContact CD2-CE2 4.02Å; F830-F843 HydrophobicContact CD2-CZ 4.48Å; F830-F843 HydrophobicContact CG-CE2 4.34Å; F830-F843 PolarHBondContact N-O 3.1Å; F830-F843 PolarHBondContact O-N 2.9Å; F843-G845 PolarHBondContact O-N 2.89Å; F843-V848 HydrophobicContact CD2-CG1 4.06Å; F843-V848 HydrophobicContact CD2-CG2 4.48Å; F843-V848 HydrophobicContact CE2-CB 4.46Å; F843-V848 HydrophobicContact CE2-CG1 3.72Å; F843-V848 HydrophobicContact CE2-CG2 3.79Å
844P92.1Very high90.7Very high15 Ų1557.3 Ų57.310%0.09732%0.318CS..EExtended strand (participates in β ladder)trans-73130.5179.7-9.124.8000110.2Y803 W829 S846 F847Y803-P844 HydrophobicContact CD2-CG 4.01Å; Y803-P844 HydrophobicContact CE2-CG 3.69Å; W829-P844 HydrophobicContact CD2-CG 4.45Å; W829-P844 HydrophobicContact CE3-CG 4.28Å; W829-P844 HydrophobicContact CH2-CG 3.99Å; W829-P844 HydrophobicContact CZ2-CG 4.14Å; W829-P844 HydrophobicContact CZ3-CG 4.04Å; P844-S846 PolarHBondContact O-N 3.39Å; P844-F847 HydrophobicContact CB-CD2 3.73Å; P844-F847 HydrophobicContact CB-CE2 4.04Å; P844-F847 HydrophobicContact CG-CD2 3.97Å; P844-F847 HydrophobicContact CG-CE2 4.06Å; P844-F847 PolarHBondContact O-N 3.33Å; P844-F847 VanDerWaalsContact O-N 3.11Å
845G89.9Confident90.5Very high9 Ų960.7 Ų60.79%0.09334%0.336CS..G310 helixtrans-64-21.6-176.600000114.2G828 F830 F843 F847 V848G828-G845 WeakPolarHBondContact O-CA 3.32Å; G828-G845 PolarHBondContact O-N 2.88Å; F830-G845 VanDerWaalsContact CE2-CA 3.47Å; F843-G845 PolarHBondContact O-N 2.89Å; G845-F847 PolarHBondContact O-N 2.82Å; G845-V848 WeakPolarHBondContact O-CG2 3.34Å; G845-V848 PolarHBondContact O-N 2.9Å
846S91.1Very high90.4Very high98 Ų9858 Ų5869%0.68533%0.327SS*.G310 helixtrans-74.5-1.5175.257.70000114.8P844P844-S846 PolarHBondContact O-N 3.39Å
847F90.5Very high90.4Very high56 Ų5653.7 Ų53.725%0.24632%0.318CS..G310 helixtrans-99.21.8175.8-72.5-119.9000111.6V799 V800 V801 Y803 L813 P844 G845V799-F847 WeakPolarHBondContact CA-O 3.41Å; V800-F847 PolarHBondContact N-O 3.38Å; V801-F847 HydrophobicContact CB-CB 4.4Å; V801-F847 HydrophobicContact CB-CD1 3.58Å; V801-F847 HydrophobicContact CB-CE1 4.1Å; V801-F847 HydrophobicContact CB-CG 4.16Å; V801-F847 HydrophobicContact CG1-CD1 3.61Å; V801-F847 HydrophobicContact CG1-CE1 3.61Å; V801-F847 PolarHBondContact N-O 3.05Å; V801-F847 WeakPolarHBondContact O-CD1 3.29Å; Y803-F847 AromaticContact CD2-CD1 3.98Å; Y803-F847 HydrophobicContact CD2-CD1 3.98Å; Y803-F847 AromaticContact CD2-CE1 3.72Å; Y803-F847 HydrophobicContact CD2-CE1 3.72Å; Y803-F847 HydrophobicContact CD2-CZ 4.03Å; Y803-F847 HydrophobicContact CG-CD1 4.38Å; L813-F847 HydrophobicContact CD1-CB 4.23Å; P844-F847 HydrophobicContact CB-CD2 3.73Å; P844-F847 HydrophobicContact CB-CE2 4.04Å; P844-F847 HydrophobicContact CG-CD2 3.97Å; P844-F847 HydrophobicContact CG-CE2 4.06Å; P844-F847 PolarHBondContact O-N 3.33Å; P844-F847 VanDerWaalsContact O-N 3.11Å; G845-F847 PolarHBondContact O-N 2.82Å
848V92.6Very high90.6Very high7 Ų753.1 Ų53.14%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-134.9143.9-179.3-60.40000113Y797 R798 V799 L813 F830 F843 G845Y797-V848 HydrophobicContact CD1-CB 3.84Å; Y797-V848 HydrophobicContact CD1-CG2 3.43Å; Y797-V848 VanDerWaalsContact CD1-CG2 3.43Å; Y797-V848 HydrophobicContact CE1-CG2 4.11Å; Y797-V848 HydrophobicContact CG-CB 4.38Å; Y797-V848 HydrophobicContact CG-CG2 4.05Å; R798-V848 CarbonylContact O-C 3.54Å; R798-V848 WeakPolarHBondContact O-CA 3.35Å; V799-V848 HydrophobicContact CG2-CG1 4.1Å; L813-V848 HydrophobicContact CD1-CG1 4.12Å; F830-V848 HydrophobicContact CD2-CG2 3.78Å; F830-V848 HydrophobicContact CE2-CG2 3.8Å; F843-V848 HydrophobicContact CD2-CG1 4.06Å; F843-V848 HydrophobicContact CD2-CG2 4.48Å; F843-V848 HydrophobicContact CE2-CB 4.46Å; F843-V848 HydrophobicContact CE2-CG1 3.72Å; F843-V848 HydrophobicContact CE2-CG2 3.79Å; G845-V848 WeakPolarHBondContact O-CG2 3.34Å; G845-V848 PolarHBondContact O-N 2.9Å
849D92.4Very high90.8Very high99 Ų9953.3 Ų53.353%0.52930%0.301SS..EExtended strand (participates in β ladder)trans-112.5145.7170.5-81.6-36.7000111Y797 R798 V800Y797-D849 CarbonylContact C-O 3.5Å; Y797-D849 VanDerWaalsContact CA-O 3.26Å; Y797-D849 WeakPolarHBondContact CA-O 3.26Å; Y797-D849 WeakPolarHBondContact CD1-O 3.37Å; R798-D849 PolarHBondContact N-O 2.96Å; R798-D849 PolarHBondContact O-N 3.18Å; V800-D849 HydrophobicContact CG1-CB 4.11Å
850S90.3Very high90.9Very high84 Ų8448.6 Ų48.659%0.58729%0.292SS*.EExtended strand (participates in β ladder)trans-72.4139.6177.351.90000111.9
851I81.6Confident90.9Very high105 Ų10546.2 Ų46.254%0.53828%0.277SS..  trans-138.90-174.259.3154.4000115.2R796 R798 I818R796-I851 HydrophobicContact CB-CG1 4.34Å; R796-I851 HydrophobicContact CG-CD1 4.3Å; R796-I851 HydrophobicContact CG-CG1 4.32Å; R796-I851 PolarHBondContact O-N 2.85Å; R798-I851 HydrophobicContact CB-CD1 4.2Å; R798-I851 HydrophobicContact CB-CG1 4.4Å; R798-I851 HydrophobicContact CB-CG2 3.7Å; I818-I851 HydrophobicContact CD1-CD1 3.57Å; I818-I851 HydrophobicContact CG1-CD1 4.48Å; I818-I851 HydrophobicContact CG2-CD1 4.44Å

Retrieved 851 of 851 residues in 1212.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).