A0A087X2G1_HUMAN Loading...

ATP-dependent RNA helicase DDX1

AlphaFold DB , UniProt , Accession A0A087X2G1, Species HUMAN (Homo sapiens, Human), Gene DDX1, Length 636 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
1M85.6Confident76Confident17 Ų1741.2 Ų41.28%0.08424%0.238CC..  01530-67-62-7800109.3P3 I12 G16 C19 C30 A32 F136 F138M1-P3 WeakPolarHBondContact O-CD 3.18Å; M1-I12 HydrophobicContact CB-CD1 3.9Å; M1-I12 HydrophobicContact CB-CG1 4.41Å; M1-I12 HydrophobicContact CB-CG2 4.05Å; M1-G16 WeakPolarHBondContact CB-O 3.4Å; M1-G16 PolarHBondContact N-O 2.6Å; M1-C19 VanDerWaalsContact CG-SG 3.52Å; M1-C30 HydrophobicContact CE-CB 3.98Å; M1-A32 HydrophobicContact SD-CB 3.99Å; M1-F136 HydrophobicContact CE-CE1 4.33Å; M1-F136 HydrophobicContact CE-CE2 4.05Å; M1-F136 HydrophobicContact CE-CZ 3.86Å; M1-F136 HydrophobicContact CG-CD2 4.13Å; M1-F136 HydrophobicContact CG-CE2 4.37Å; M1-F136 HydrophobicContact CG-CG 4.39Å; M1-F136 HydrophobicContact SD-CD1 4.24Å; M1-F136 HydrophobicContact SD-CD2 4.36Å; M1-F136 HydrophobicContact SD-CE1 4.15Å; M1-F136 HydrophobicContact SD-CE2 4.28Å; M1-F136 HydrophobicContact SD-CG 4.34Å; M1-F136 HydrophobicContact SD-CZ 4.17Å; M1-F138 HydrophobicContact SD-CE2 4.44Å; M1-F138 HydrophobicContact SD-CZ 3.87Å
2N83Confident76Confident4 Ų439.9 Ų39.92%0.02123%0.229CC..  trans-94.7110.5-170.9-173.3-4000112Y4 D5 C30 R31 T33 S165 H167N2-Y4 PolarHBondContact O-N 3.22Å; N2-Y4 VanDerWaalsContact O-N 3.16Å; N2-Y4 WeakPolarHBondContact OD1-CD2 3.38Å; N2-Y4 PolarHBondContact OD1-N 3.12Å; N2-D5 HydrophobicContact CB-CB 3.95Å; N2-D5 WeakPolarHBondContact ND2-CB 3.49Å; N2-D5 PolarHBondContact O-N 2.72Å; N2-D5 VanDerWaalsContact O-N 3.16Å; N2-C30 PolarHBondContact O-SG 2.85Å; N2-R31 WeakPolarHBondContact CB-O 3.42Å; N2-R31 PolarHBondContact N-O 3.2Å; N2-T33 HydrophobicContact CB-CG2 3.69Å; N2-S165 PolarHBondContact ND2-OG 3.11Å; N2-H167 PolarHBondContact ND2-O 2.7Å
3P72.9Confident74.9Confident57 Ų5739.1 Ų39.137%0.3724%0.235SC..THydrogen-bonded Turntrans-67.7-14.1-178.829-35.7000114.3M1 R6 I12M1-P3 WeakPolarHBondContact O-CD 3.18Å; P3-R6 WeakPolarHBondContact O-CD 3.48Å; P3-R6 WeakPolarHBondContact O-CG 3.48Å; P3-R6 PolarHBondContact O-NE 3.23Å; P3-R6 VanDerWaalsContact O-NE 3.12Å; P3-I12 HydrophobicContact CB-CD1 4.22Å
4Y78.3Confident73.6Confident111 Ų11145.5 Ų45.544%0.43528%0.282SS..THydrogen-bonded Turntrans-97.6-4.5178.6-53-71.9000113.2N2 H167 G169 A171N2-Y4 PolarHBondContact O-N 3.22Å; N2-Y4 VanDerWaalsContact O-N 3.16Å; N2-Y4 WeakPolarHBondContact OD1-CD2 3.38Å; N2-Y4 PolarHBondContact OD1-N 3.12Å; Y4-H167 WeakPolarHBondContact CB-O 3.49Å; Y4-G169 VanDerWaalsContact CD2-N 3.28Å; Y4-A171 HydrophobicContact CE1-CB 4.46Å; Y4-A171 WeakPolarHBondContact OH-CB 3.46Å
5D81.9Confident73.2Confident5 Ų547.8 Ų47.83%0.02729%0.292CS..SBendtrans-126.960.7-179.5-163.3-6.3000109.1N2 C30 R31 L64 H167N2-D5 HydrophobicContact CB-CB 3.95Å; N2-D5 WeakPolarHBondContact ND2-CB 3.49Å; N2-D5 PolarHBondContact O-N 2.72Å; N2-D5 VanDerWaalsContact O-N 3.16Å; D5-C30 VanDerWaalsContact O-CA 3.28Å; D5-C30 WeakPolarHBondContact O-CA 3.33Å; D5-R31 VanDerWaalsContact CG-NE 3.31Å; D5-R31 PolarHBondContact O-N 2.73Å; D5-R31 VanDerWaalsContact O-N 3.1Å; D5-R31 IonicContact OD1-CZ 3.68Å; D5-R31 IonicContact OD1-NE 3.42Å; D5-R31 PolarHBondContact OD1-NE 2.78Å; D5-R31 VanDerWaalsContact OD1-NE 3.14Å; D5-R31 IonicContact OD1-NH2 3.76Å; D5-R31 PolarHBondContact OD1-NH2 3.13Å; D5-R31 IonicContact OD2-CZ 3.72Å; D5-R31 IonicContact OD2-NE 3.78Å; D5-R31 PolarHBondContact OD2-NE 3.18Å; D5-R31 IonicContact OD2-NH2 2.66Å; D5-L64 WeakPolarHBondContact OD1-CD1 3.44Å; D5-H167 HydrophobicContact CB-CB 3.79Å; D5-H167 IonicContact OD1-CE1 3.92Å; D5-H167 IonicContact OD1-ND1 3.49Å; D5-H167 PolarHBondContact OD1-ND1 3.14Å; D5-H167 IonicContact OD2-CE1 3.8Å; D5-H167 IonicContact OD2-CG 3.76Å; D5-H167 IonicContact OD2-ND1 2.88Å; D5-H167 PolarHBondContact OD2-ND1 2.75Å
6R82.9Confident73.2Confident78 Ų7846.2 Ų46.229%0.29429%0.288SS..BIsolated β-bridgetrans-141.9155.9-174.374.5178.3176.783.22.4113.3P3 S8 F10 G29 C30P3-R6 WeakPolarHBondContact O-CD 3.48Å; P3-R6 WeakPolarHBondContact O-CG 3.48Å; P3-R6 PolarHBondContact O-NE 3.23Å; P3-R6 VanDerWaalsContact O-NE 3.12Å; R6-S8 PolarHBondContact NH1-O 3.05Å; R6-F10 HydrophobicContact CB-CB 4.11Å; R6-F10 HydrophobicContact CB-CD1 4.28Å; R6-F10 HydrophobicContact CB-CG 4.41Å; R6-F10 WeakPolarHBondContact CD-O 3.35Å; R6-F10 PolarHBondContact NH1-O 3.08Å; R6-G29 CarbonylContact C-O 3.5Å; R6-G29 WeakPolarHBondContact CA-O 3.24Å; R6-C30 HydrophobicContact CB-CB 4.05Å
7G72.6Confident73.8Confident14 Ų1445.6 Ų45.614%0.14428%0.283CS..  trans-69.4159.7169.800000113.2A9 F10 G29G7-A9 PolarHBondContact O-N 3.38Å; G7-F10 VanDerWaalsContact O-CB 3.3Å; G7-F10 WeakPolarHBondContact O-CB 3.34Å; G7-F10 PolarHBondContact O-N 3.16Å; G7-F10 VanDerWaalsContact O-N 3.07Å; G7-G29 PolarHBondContact N-O 2.92Å
8S69.3Low74.2Confident104 Ų10444.4 Ų44.473%0.72728%0.276SS*.THydrogen-bonded Turntrans-56.8-43.9-175.149.20000113.6R6R6-S8 PolarHBondContact NH1-O 3.05Å
9A66.8Low74.6Confident45 Ų4542.1 Ų42.137%0.37226%0.261SS..THydrogen-bonded Turntrans-95.313.6178.400000113.9G7 E23G7-A9 PolarHBondContact O-N 3.38Å; A9-E23 HydrophobicContact CB-CB 4.36Å
10F75.5Confident75Confident1 Ų142.4 Ų42.40%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-87.4124.3174.6-157.7-82.4000110.5R6 G7 I12 C19 H28 C30 C127 L129R6-F10 HydrophobicContact CB-CB 4.11Å; R6-F10 HydrophobicContact CB-CD1 4.28Å; R6-F10 HydrophobicContact CB-CG 4.41Å; R6-F10 WeakPolarHBondContact CD-O 3.35Å; R6-F10 PolarHBondContact NH1-O 3.08Å; G7-F10 VanDerWaalsContact O-CB 3.3Å; G7-F10 WeakPolarHBondContact O-CB 3.34Å; G7-F10 PolarHBondContact O-N 3.16Å; G7-F10 VanDerWaalsContact O-N 3.07Å; F10-I12 HydrophobicContact CD1-CG1 4.14Å; F10-I12 HydrophobicContact CE1-CG1 4.17Å; F10-C19 HydrophobicContact CE1-CB 3.68Å; F10-C19 HydrophobicContact CZ-CB 3.72Å; F10-H28 HydrophobicContact CB-CB 4Å; F10-H28 VanDerWaalsContact CD2-C 3.45Å; F10-H28 HydrophobicContact CD2-CB 4.02Å; F10-H28 WeakPolarHBondContact CD2-O 3.5Å; F10-H28 VanDerWaalsContact CE2-O 3.31Å; F10-H28 WeakPolarHBondContact CE2-O 3.29Å; F10-C30 HydrophobicContact CD1-CB 3.57Å; F10-C30 HydrophobicContact CD2-CB 4.39Å; F10-C30 HydrophobicContact CE1-CB 3.26Å; F10-C30 HydrophobicContact CE2-CB 4.1Å; F10-C30 HydrophobicContact CG-CB 4.13Å; F10-C30 HydrophobicContact CZ-CB 3.54Å; F10-C127 VanDerWaalsContact CZ-SG 3.51Å; F10-L129 HydrophobicContact CD2-CD1 4.46Å; F10-L129 HydrophobicContact CE2-CB 4.01Å; F10-L129 HydrophobicContact CE2-CD1 3.56Å; F10-L129 HydrophobicContact CE2-CG 3.62Å; F10-L129 HydrophobicContact CZ-CD1 3.59Å; F10-L129 HydrophobicContact CZ-CG 4.05Å
11A67.5Low75Confident17 Ų1740.4 Ų40.414%0.1425%0.247CC..EExtended strand (participates in β ladder)trans-110.8144.7175.700000111.2C19 Q20A11-C19 WeakPolarHBondContact O-CA 3.46Å; A11-Q20 HydrophobicContact CB-CG 3.85Å; A11-Q20 PolarHBondContact N-O 2.93Å; A11-Q20 PolarHBondContact O-N 2.94Å
12I75.2Confident74.1Confident26 Ų2642.4 Ų42.413%0.13325%0.254CS..EExtended strand (participates in β ladder)trans-119.1132.5174-51174.7000106.6M1 P3 F10 C18 C30M1-I12 HydrophobicContact CB-CD1 3.9Å; M1-I12 HydrophobicContact CB-CG1 4.41Å; M1-I12 HydrophobicContact CB-CG2 4.05Å; P3-I12 HydrophobicContact CB-CD1 4.22Å; F10-I12 HydrophobicContact CD1-CG1 4.14Å; F10-I12 HydrophobicContact CE1-CG1 4.17Å; I12-C18 CarbonylContact C-O 3.53Å; I12-C18 WeakPolarHBondContact CA-O 3.47Å; I12-C30 VanDerWaalsContact CD1-SG 3.57Å
13G62.2Low73.6Confident29 Ų2945.4 Ų45.430%0.29927%0.268SS..  trans-61.6163.5175.100000112.1D15 G16 C18G13-D15 PolarHBondContact O-N 2.96Å; G13-G16 WeakPolarHBondContact O-CA 3.38Å; G13-G16 PolarHBondContact O-N 2.92Å; G13-C18 PolarHBondContact N-O 2.97Å
14S56.6Low73.6Confident129 Ų12947.2 Ų47.290%0.90228%0.278SS*.THydrogen-bonded Turntrans-61.8-26.6177.749.10000113.3G16S14-G16 PolarHBondContact O-N 2.77Å
15D67.7Low73.3Confident80 Ų8050 Ų5043%0.42829%0.292SS..THydrogen-bonded Turntrans-69.4-12.5172.166-3.2000112.9G13 L17 C18G13-D15 PolarHBondContact O-N 2.96Å; D15-L17 PolarHBondContact O-N 3.16Å; D15-L17 PolarHBondContact OD1-N 2.98Å; D15-C18 PolarHBondContact OD1-N 2.9Å
16G73.6Confident72.9Confident22 Ų2255.3 Ų55.323%0.22732%0.317CS..SBendtrans715.5-175.100000114M1 G13 S14M1-G16 WeakPolarHBondContact CB-O 3.4Å; M1-G16 PolarHBondContact N-O 2.6Å; G13-G16 WeakPolarHBondContact O-CA 3.38Å; G13-G16 PolarHBondContact O-N 2.92Å; S14-G16 PolarHBondContact O-N 2.77Å
17L82.8Confident72.8Confident37 Ų3753.3 Ų53.319%0.19431%0.309CS..  trans-119.2-33.2-171-65.6-179.8000112.5D15 F136 F138D15-L17 PolarHBondContact O-N 3.16Å; D15-L17 PolarHBondContact OD1-N 2.98Å; L17-F136 WeakPolarHBondContact CB-O 3.43Å; L17-F136 HydrophobicContact CD2-CB 4.38Å; L17-F136 WeakPolarHBondContact O-CD2 3.38Å; L17-F136 PolarHBondContact O-N 3.16Å; L17-F138 HydrophobicContact CD2-CD2 3.63Å; L17-F138 HydrophobicContact CD2-CE2 3.7Å
18C81.5Confident73Confident24 Ų2453.3 Ų53.316%0.16231%0.305CS..EExtended strand (participates in β ladder)trans-76.5133.8170.8-170.90000110.3I12 G13 D15 L134I12-C18 CarbonylContact C-O 3.53Å; I12-C18 WeakPolarHBondContact CA-O 3.47Å; G13-C18 PolarHBondContact N-O 2.97Å; D15-C18 PolarHBondContact OD1-N 2.9Å; C18-L134 CarbonylContact C-O 3.51Å
19C81.6Confident73.9Confident0 Ų048.3 Ų48.30%027%0.271CS..EExtended strand (participates in β ladder)trans-134.5132.5-177.2-71.10000109.9M1 F10 A11 L129 E133 L134 F136M1-C19 VanDerWaalsContact CG-SG 3.52Å; F10-C19 HydrophobicContact CE1-CB 3.68Å; F10-C19 HydrophobicContact CZ-CB 3.72Å; A11-C19 WeakPolarHBondContact O-CA 3.46Å; C19-L129 HydrophobicContact CB-CD1 4.09Å; C19-L129 WeakPolarHBondContact O-CD1 3.47Å; C19-E133 CarbonylContact O-C 3.58Å; C19-E133 WeakPolarHBondContact O-CA 3.18Å; C19-L134 PolarHBondContact N-O 3.49Å; C19-L134 PolarHBondContact O-N 3.18Å; C19-F136 HydrophobicContact CB-CE2 4.23Å
20Q81.7Confident74.9Confident47 Ų4746.2 Ų46.222%0.2225%0.253CS..EExtended strand (participates in β ladder)trans-141.5149178.962175-45.100112.5A11 A132 E133A11-Q20 HydrophobicContact CB-CG 3.85Å; A11-Q20 PolarHBondContact N-O 2.93Å; A11-Q20 PolarHBondContact O-N 2.94Å; Q20-A132 WeakPolarHBondContact CA-O 3.44Å; Q20-E133 HydrophobicContact CB-CB 4.04Å; Q20-E133 HydrophobicContact CB-CG 4.02Å
21S76.9Confident75.7Confident1 Ų146.6 Ų46.61%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-133.6128.9163174.20000107.3L129 N131 A132S21-L129 VanDerWaalsContact CB-CB 3.47Å; S21-L129 WeakPolarHBondContact CB-O 3.42Å; S21-L129 PolarHBondContact OG-O 3.08Å; S21-N131 CarbonylContact O-C 3.55Å; S21-N131 VanDerWaalsContact O-C 3.27Å; S21-N131 WeakPolarHBondContact O-CA 3.29Å; S21-N131 PolarHBondContact O-N 3.25Å; S21-A132 PolarHBondContact N-O 3Å; S21-A132 PolarHBondContact O-N 2.97Å
22R65.8Low76.8Confident59 Ų5946 Ų4622%0.22325%0.25CC..  trans-103.87.7178.4-56.2-59.4-179.9169-0.6112.4D49 E133 F321R22-D49 IonicContact CZ-OD2 3.92Å; R22-D49 IonicContact NH1-OD2 2.99Å; R22-D49 PolarHBondContact NH1-OD2 2.88Å; R22-D49 IonicContact NH2-OD2 3.09Å; R22-D49 PolarHBondContact NH2-OD2 3.18Å; R22-E133 IonicContact NH2-OE2 3.35Å; R22-E133 PolarHBondContact NH2-OE2 3.05Å; R22-F321 HydrophobicContact CB-CE2 4.04Å; R22-F321 HydrophobicContact CB-CZ 4.1Å; R22-F321 HydrophobicContact CG-CE2 3.91Å; R22-F321 HydrophobicContact CG-CZ 4.14Å
23E73.3Confident77.5Confident68 Ų6848 Ų4832%0.31826%0.263SS..  trans-74.6129.6177.4-174.243.5-122.100110.5A9 K25 E26 K130 N131A9-E23 HydrophobicContact CB-CB 4.36Å; E23-K25 PolarHBondContact OE1-N 2.91Å; E23-E26 HydrophobicContact CG-CB 4Å; E23-K130 CarbonylContact O-C 3.57Å; E23-N131 PolarHBondContact O-N 3.39Å
24V72Confident78.8Confident95 Ų9551 Ų5158%0.57627%0.268SS*.SBendtrans-96.8-17-171.6-170.60000111.3K130 N131V24-K130 VanDerWaalsContact C-CE 3.44Å; V24-K130 WeakPolarHBondContact O-CE 3.39Å; V24-K130 PolarHBondContact O-NZ 2.81Å; V24-N131 HydrophobicContact CG2-CB 4.39Å
25K71.1Confident80.4Confident170 Ų17044.8 Ų44.874%0.73923%0.225SC*.SBendtrans-103.2-48.2-178.5-65.9-178.7-1791760112.6E23 K130E23-K25 PolarHBondContact OE1-N 2.91Å; K25-K130 WeakPolarHBondContact O-CE 3.38Å; K25-K130 PolarHBondContact O-NZ 2.86Å
26E74.2Confident81.5Confident115 Ų11541.1 Ų41.154%0.53721%0.205SC..SBendtrans-101.3159.5-172.1-60.9-175.3166.200112.9E23 H28E23-E26 HydrophobicContact CG-CB 4Å; E26-H28 IonicContact OE2-CE1 3.56Å
27W80.4Confident82.3Confident36 Ų3642.8 Ų42.814%0.13621%0.207CC..  trans-95.7138172.2-72.589000108.9L52 R54 D65 V128 K130W27-L52 HydrophobicContact CH2-CB 3.49Å; W27-L52 VanDerWaalsContact CH2-CB 3.49Å; W27-L52 HydrophobicContact CZ2-CB 3.95Å; W27-L52 HydrophobicContact CZ2-CD1 4.18Å; W27-L52 HydrophobicContact CZ3-CB 4.24Å; W27-L52 WeakPolarHBondContact CZ3-O 3.24Å; W27-R54 HydrophobicContact CH2-CG 4.43Å; W27-R54 HydrophobicContact CZ3-CG 4.41Å; W27-D65 VanDerWaalsContact O-OD1 3.09Å; W27-V128 HydrophobicContact CE3-CB 3.92Å; W27-V128 HydrophobicContact CE3-CG2 4.07Å; W27-V128 HydrophobicContact CZ3-CB 4.47Å; W27-V128 HydrophobicContact CZ3-CG2 4.26Å; W27-K130 HydrophobicContact CD2-CB 3.86Å; W27-K130 HydrophobicContact CD2-CD 4.33Å; W27-K130 HydrophobicContact CE3-CB 3.78Å; W27-K130 HydrophobicContact CG-CB 4.48Å; W27-K130 HydrophobicContact CH2-CB 4.29Å; W27-K130 HydrophobicContact CZ2-CB 4.29Å; W27-K130 HydrophobicContact CZ2-CD 4.3Å; W27-K130 HydrophobicContact CZ3-CB 4.02Å
28H78.1Confident82.6Confident14 Ų1446.7 Ų46.77%0.06522%0.223CC..EExtended strand (participates in β ladder)trans-126.5137.1169.6-60.8-74.1000109.2F10 E26 V128 L129F10-H28 HydrophobicContact CB-CB 4Å; F10-H28 VanDerWaalsContact CD2-C 3.45Å; F10-H28 HydrophobicContact CD2-CB 4.02Å; F10-H28 WeakPolarHBondContact CD2-O 3.5Å; F10-H28 VanDerWaalsContact CE2-O 3.31Å; F10-H28 WeakPolarHBondContact CE2-O 3.29Å; E26-H28 IonicContact OE2-CE1 3.56Å; H28-V128 CarbonylContact O-C 3.58Å; H28-V128 WeakPolarHBondContact O-CA 3.4Å; H28-L129 PolarHBondContact N-O 3.15Å; H28-L129 VanDerWaalsContact N-O 3.11Å; H28-L129 PolarHBondContact O-N 3.45Å
29G87.4Confident83.1Confident0 Ų045.8 Ų45.80%022%0.218CC..EExtended strand (participates in β ladder)trans-118.5168-178.600000114.2R6 G7 L64 C127R6-G29 CarbonylContact C-O 3.5Å; R6-G29 WeakPolarHBondContact CA-O 3.24Å; G7-G29 PolarHBondContact N-O 2.92Å; G29-L64 WeakPolarHBondContact CA-O 3.47Å; G29-L64 PolarHBondContact N-O 3.49Å; G29-C127 CarbonylContact C-O 3.55Å; G29-C127 WeakPolarHBondContact CA-O 3.31Å
30C88.3Confident83.6Confident0 Ų048.6 Ų48.60%023%0.23CC..EExtended strand (participates in β ladder)trans-147.6145.8172-175.40000110.3M1 N2 D5 R6 F10 I12 A126 C127M1-C30 HydrophobicContact CE-CB 3.98Å; N2-C30 PolarHBondContact O-SG 2.85Å; D5-C30 VanDerWaalsContact O-CA 3.28Å; D5-C30 WeakPolarHBondContact O-CA 3.33Å; R6-C30 HydrophobicContact CB-CB 4.05Å; F10-C30 HydrophobicContact CD1-CB 3.57Å; F10-C30 HydrophobicContact CD2-CB 4.39Å; F10-C30 HydrophobicContact CE1-CB 3.26Å; F10-C30 HydrophobicContact CE2-CB 4.1Å; F10-C30 HydrophobicContact CG-CB 4.13Å; F10-C30 HydrophobicContact CZ-CB 3.54Å; I12-C30 VanDerWaalsContact CD1-SG 3.57Å; C30-A126 WeakPolarHBondContact O-CA 3.46Å; C30-C127 PolarHBondContact N-O 3.27Å; C30-C127 PolarHBondContact O-N 3.01Å
31R91.9Very high84.3Confident9 Ų946.4 Ų46.43%0.03422%0.22CC..EExtended strand (participates in β ladder)trans-105.5161.4168.2-75.2177.8-74.3-124.5-8.7111.5N2 D5 T59 M60 A62 L64 F124 P125 A126N2-R31 WeakPolarHBondContact CB-O 3.42Å; N2-R31 PolarHBondContact N-O 3.2Å; D5-R31 VanDerWaalsContact CG-NE 3.31Å; D5-R31 PolarHBondContact O-N 2.73Å; D5-R31 VanDerWaalsContact O-N 3.1Å; D5-R31 IonicContact OD1-CZ 3.68Å; D5-R31 IonicContact OD1-NE 3.42Å; D5-R31 PolarHBondContact OD1-NE 2.78Å; D5-R31 VanDerWaalsContact OD1-NE 3.14Å; D5-R31 IonicContact OD1-NH2 3.76Å; D5-R31 PolarHBondContact OD1-NH2 3.13Å; D5-R31 IonicContact OD2-CZ 3.72Å; D5-R31 IonicContact OD2-NE 3.78Å; D5-R31 PolarHBondContact OD2-NE 3.18Å; D5-R31 IonicContact OD2-NH2 2.66Å; R31-T59 PolarHBondContact NH1-O 3.18Å; R31-M60 PolarHBondContact NH1-O 3.1Å; R31-M60 VanDerWaalsContact NH1-O 3.16Å; R31-A62 PolarHBondContact NH1-O 2.7Å; R31-L64 HydrophobicContact CG-CD2 4.05Å; R31-F124 HydrophobicContact CB-CB 4.33Å; R31-F124 HydrophobicContact CG-CB 4.45Å; R31-P125 CarbonylContact C-O 3.25Å; R31-P125 WeakPolarHBondContact CA-O 3.49Å; R31-A126 HydrophobicContact CG-CB 3.95Å
32A91.5Very high85.1Confident5 Ų546.4 Ų46.44%0.04122%0.219CC..  trans-77.8165.7171.900000112.2M1 K34 F124 P125 F138M1-A32 HydrophobicContact SD-CB 3.99Å; A32-K34 VanDerWaalsContact C-N 3.32Å; A32-F124 WeakPolarHBondContact O-CD1 3.46Å; A32-P125 HydrophobicContact CB-CB 3.91Å; A32-P125 HydrophobicContact CB-CG 4.04Å; A32-P125 PolarHBondContact N-O 2.63Å; A32-F138 HydrophobicContact CB-CZ 4.32Å
33T88.1Confident86.6Confident68 Ų6843.6 Ų43.642%0.41721%0.209SC..SBendtrans-76.8-20.3179.649.80000113.2N2 S165N2-T33 HydrophobicContact CB-CG2 3.69Å; T33-S165 PolarHBondContact O-N 3.35Å
34K90.1Very high87.7Confident91 Ų9140.6 Ų40.640%0.39620%0.195SC..EExtended strand (participates in β ladder)trans-125132.9-179.2-67.3179.3177.9-175.80109.5A32 F124 P125 I162A32-K34 VanDerWaalsContact C-N 3.32Å; K34-F124 VanDerWaalsContact C-CD1 3.44Å; K34-P125 WeakPolarHBondContact O-CD 3.5Å; K34-I162 HydrophobicContact CB-CG2 3.85Å; K34-I162 HydrophobicContact CD-CD1 4.41Å; K34-I162 HydrophobicContact CD-CG2 4.04Å; K34-I162 HydrophobicContact CG-CG2 3.87Å
35G90.4Very high88.8Confident0 Ų036 Ų360%017%0.167CC..EExtended strand (participates in β ladder)trans-117.8171171.700000110.8L123 F124 I162 V163G35-L123 CarbonylContact C-O 3.51Å; G35-L123 WeakPolarHBondContact CA-O 3.24Å; G35-F124 VanDerWaalsContact CA-CD1 3.47Å; G35-F124 VanDerWaalsContact N-CD1 3.25Å; G35-I162 CarbonylContact O-C 3.27Å; G35-I162 WeakPolarHBondContact O-CA 3.08Å; G35-V163 PolarHBondContact N-O 2.8Å; G35-V163 PolarHBondContact O-N 3.14Å
36L91.5Very high89.8Confident2 Ų229.4 Ų29.41%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-118.4144.9-174.4-66.4168.7000111.5H41 W57 L92 I94 A122 L123 L154 A157 Y161 I162L36-H41 HydrophobicContact CD1-CB 3.33Å; L36-H41 VanDerWaalsContact CD1-CG 3.42Å; L36-W57 HydrophobicContact CD1-CH2 3.81Å; L36-W57 HydrophobicContact CD1-CZ3 3.82Å; L36-L92 HydrophobicContact CB-CD2 4.26Å; L36-L92 HydrophobicContact CD1-CD2 4.18Å; L36-I94 VanDerWaalsContact C-CD1 3.43Å; L36-I94 HydrophobicContact CB-CD1 3.6Å; L36-I94 WeakPolarHBondContact O-CD1 3.48Å; L36-A122 WeakPolarHBondContact O-CA 3.47Å; L36-L123 PolarHBondContact N-O 2.92Å; L36-L123 PolarHBondContact O-N 2.97Å; L36-L154 HydrophobicContact CD1-CD1 3.93Å; L36-L154 HydrophobicContact CD1-CG 4.33Å; L36-L154 HydrophobicContact CG-CD1 4.41Å; L36-A157 HydrophobicContact CD2-CB 3.68Å; L36-Y161 WeakPolarHBondContact CA-O 3.27Å; L36-I162 HydrophobicContact CD2-CG1 4.4Å
37M89.6Confident90.3Very high57 Ų5724.2 Ų24.228%0.28112%0.119SC..SBendtrans-120.4-16.6178.4-79.2-70.3-61.300114.2I94 N120 A122 Y161 V163M37-I94 VanDerWaalsContact C-CD1 3.47Å; M37-I94 WeakPolarHBondContact O-CG2 3.48Å; M37-N120 WeakPolarHBondContact CE-O 3.41Å; M37-A122 HydrophobicContact CG-CB 3.92Å; M37-A122 WeakPolarHBondContact SD-CA 3.46Å; M37-A122 HydrophobicContact SD-CB 3.76Å; M37-A122 PolarHBondContact SD-N 3.05Å; M37-Y161 PolarHBondContact N-O 3.28Å; M37-V163 HydrophobicContact CB-CG2 4.41Å; M37-V163 HydrophobicContact CG-CB 4.46Å; M37-V163 HydrophobicContact CG-CG2 3.31Å; M37-V163 HydrophobicContact SD-CG2 4.42Å
38K89.6Confident90Very high119 Ų11926 Ų2652%0.51713%0.128SC..SBendtrans-149.5163.4-179.3-66.9-171.5178.5-179.20111.7H41 Y161K38-H41 PolarHBondContact O-CE1 3.34Å; K38-H41 PolarHBondContact O-ND1 3.27Å; K38-Y161 HydrophobicContact CB-CD1 3.83Å; K38-Y161 HydrophobicContact CB-CD2 4.09Å; K38-Y161 HydrophobicContact CB-CE1 4.01Å; K38-Y161 HydrophobicContact CB-CE2 4.23Å; K38-Y161 HydrophobicContact CB-CG 3.88Å; K38-Y161 HydrophobicContact CD-CD1 4.35Å; K38-Y161 HydrophobicContact CD-CE1 4.19Å; K38-Y161 WeakPolarHBondContact O-CD2 3.36Å
39G90.8Very high89.7Confident5 Ų528 Ų285%0.05214%0.139CC..SBendtrans80.7-173.9169.900000115.1I94 D95G39-I94 PolarHBondContact O-N 2.85Å; G39-I94 VanDerWaalsContact O-N 3.08Å; G39-D95 WeakPolarHBondContact CA-OD2 3.37Å; G39-D95 PolarHBondContact N-OD1 2.79Å
40K93.6Very high88.7Confident59 Ų5934.8 Ų34.826%0.25717%0.171SC..EExtended strand (participates in β ladder)trans-114.9111.7-174.8-54.4-168.2-173.4-147.90111.6L92 D93 F151 V152K40-L92 CarbonylContact C-O 3.11Å; K40-L92 WeakPolarHBondContact CA-O 3.15Å; K40-D93 WeakPolarHBondContact CD-OD2 3.39Å; K40-D93 WeakPolarHBondContact CE-OD2 3.26Å; K40-D93 HydrophobicContact CG-CB 4.22Å; K40-D93 IonicContact NZ-OD2 2.74Å; K40-D93 PolarHBondContact NZ-OD2 2.82Å; K40-F151 HydrophobicContact CB-CD1 3.86Å; K40-F151 HydrophobicContact CB-CE1 4.05Å; K40-F151 HydrophobicContact CB-CG 4.12Å; K40-F151 HydrophobicContact CD-CE2 4.47Å; K40-V152 WeakPolarHBondContact O-CG2 3.11Å; K40-V152 PolarHBondContact O-N 2.91Å
41H94.9Very high88.1Confident2 Ų236.6 Ų36.61%0.00919%0.19CC..EExtended strand (participates in β ladder)trans-131.5156.9-171.5-59.482.9000113.6L36 K38 L92 F151 V152 A157 Y161L36-H41 HydrophobicContact CD1-CB 3.33Å; L36-H41 VanDerWaalsContact CD1-CG 3.42Å; K38-H41 PolarHBondContact O-CE1 3.34Å; K38-H41 PolarHBondContact O-ND1 3.27Å; H41-L92 PolarHBondContact N-O 2.89Å; H41-L92 PolarHBondContact O-N 3.27Å; H41-F151 WeakPolarHBondContact O-CD1 3.47Å; H41-V152 CarbonylContact C-O 3.4Å; H41-V152 VanDerWaalsContact CA-O 3.24Å; H41-V152 WeakPolarHBondContact CA-O 3.31Å; H41-A157 VanDerWaalsContact NE2-CB 3.29Å; H41-A157 WeakPolarHBondContact NE2-CB 3.38Å; H41-Y161 AromaticContact CE1-CD2 3.89Å
42Y95.4Very high87.5Confident0 Ų041 Ų410%021%0.214CC..EExtended strand (participates in β ladder)trans-140.5145.8-172.3176.6-102.5000111.9E44 G89 C90 Y91 F143 F145 P147 V152 L154Y42-E44 HydrophobicContact CE1-CG 3.59Å; Y42-E44 WeakPolarHBondContact OH-CG 3.43Å; Y42-E44 PolarHBondContact OH-OE1 3.42Å; Y42-G89 WeakPolarHBondContact OH-CA 3.43Å; Y42-C90 WeakPolarHBondContact CA-O 3.29Å; Y42-Y91 AromaticContact CD2-CD1 3.71Å; Y42-Y91 HydrophobicContact CD2-CD1 3.71Å; Y42-Y91 AromaticContact CD2-CD2 3.98Å; Y42-Y91 HydrophobicContact CD2-CD2 3.98Å; Y42-Y91 AromaticContact CD2-CE1 3.57Å; Y42-Y91 HydrophobicContact CD2-CE1 3.57Å; Y42-Y91 AromaticContact CD2-CE2 3.85Å; Y42-Y91 HydrophobicContact CD2-CE2 3.85Å; Y42-Y91 AromaticContact CD2-CG 3.89Å; Y42-Y91 HydrophobicContact CD2-CG 3.89Å; Y42-Y91 AromaticContact CD2-CZ 3.63Å; Y42-Y91 HydrophobicContact CE2-CD1 4.31Å; Y42-Y91 HydrophobicContact CE2-CD2 4.02Å; Y42-Y91 AromaticContact CE2-CE1 3.84Å; Y42-Y91 HydrophobicContact CE2-CE1 3.84Å; Y42-Y91 AromaticContact CE2-CE2 3.5Å; Y42-Y91 HydrophobicContact CE2-CE2 3.5Å; Y42-Y91 VanDerWaalsContact CE2-CE2 3.5Å; Y42-Y91 HydrophobicContact CE2-CG 4.39Å; Y42-Y91 AromaticContact CE2-CZ 3.38Å; Y42-Y91 HydrophobicContact CG-CE1 4.48Å; Y42-F143 HydrophobicContact CD1-CD1 4.36Å; Y42-F143 HydrophobicContact CD1-CD2 4.01Å; Y42-F143 HydrophobicContact CD1-CE1 4.09Å; Y42-F143 AromaticContact CD1-CE2 3.7Å; Y42-F143 HydrophobicContact CD1-CE2 3.7Å; Y42-F143 HydrophobicContact CD1-CG 4.33Å; Y42-F143 AromaticContact CD1-CZ 3.75Å; Y42-F143 HydrophobicContact CD1-CZ 3.75Å; Y42-F143 HydrophobicContact CE1-CB 4.44Å; Y42-F143 AromaticContact CE1-CD1 3.89Å; Y42-F143 HydrophobicContact CE1-CD1 3.89Å; Y42-F143 AromaticContact CE1-CD2 3.94Å; Y42-F143 HydrophobicContact CE1-CD2 3.94Å; Y42-F143 HydrophobicContact CE1-CE1 4.05Å; Y42-F143 HydrophobicContact CE1-CE2 4.08Å; Y42-F143 AromaticContact CE1-CG 3.84Å; Y42-F143 HydrophobicContact CE1-CG 3.84Å; Y42-F143 HydrophobicContact CE1-CZ 4.13Å; Y42-F145 PolarHBondContact OH-O 2.88Å; Y42-P147 HydrophobicContact CD1-CB 3.73Å; Y42-P147 HydrophobicContact CD1-CG 3.54Å; Y42-P147 HydrophobicContact CD2-CB 3.9Å; Y42-P147 HydrophobicContact CE1-CB 4.19Å; Y42-P147 HydrophobicContact CE1-CG 4.15Å; Y42-P147 HydrophobicContact CE2-CB 4.34Å; Y42-P147 HydrophobicContact CG-CB 3.54Å; Y42-P147 HydrophobicContact CG-CG 3.78Å; Y42-V152 PolarHBondContact N-O 3.24Å; Y42-L154 PolarHBondContact O-N 2.87Å
43Y96.3Very high87.3Confident0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-147.2160.8165.672.4-91.3000110.9V45 G56 W57 C90 P125 F136 N137 F138 L154Y43-V45 HydrophobicContact CD2-CG2 3.77Å; Y43-V45 HydrophobicContact CE2-CG2 3.35Å; Y43-G56 WeakPolarHBondContact OH-CA 3.34Å; Y43-G56 PolarHBondContact OH-N 3.35Å; Y43-G56 PolarHBondContact OH-O 3.02Å; Y43-W57 AromaticContact CD1-CH2 3.64Å; Y43-W57 HydrophobicContact CD1-CH2 3.64Å; Y43-W57 AromaticContact CD1-CZ2 3.51Å; Y43-W57 HydrophobicContact CD1-CZ2 3.51Å; Y43-W57 HydrophobicContact CD1-CZ3 4.41Å; Y43-W57 HydrophobicContact CE1-CD2 4.12Å; Y43-W57 AromaticContact CE1-CE2 3.58Å; Y43-W57 HydrophobicContact CE1-CE3 4.34Å; Y43-W57 AromaticContact CE1-CH2 3.7Å; Y43-W57 HydrophobicContact CE1-CH2 3.7Å; Y43-W57 AromaticContact CE1-CZ2 3.37Å; Y43-W57 HydrophobicContact CE1-CZ2 3.37Å; Y43-W57 HydrophobicContact CE1-CZ3 4.16Å; Y43-C90 HydrophobicContact CD1-CB 3.77Å; Y43-C90 HydrophobicContact CD2-CB 4.12Å; Y43-C90 HydrophobicContact CE1-CB 3.39Å; Y43-C90 HydrophobicContact CE2-CB 3.76Å; Y43-C90 HydrophobicContact CG-CB 4.12Å; Y43-C90 PolarHBondContact N-O 3.25Å; Y43-C90 PolarHBondContact O-N 3.36Å; Y43-P125 HydrophobicContact CD1-CB 4.29Å; Y43-P125 HydrophobicContact CD1-CG 4.21Å; Y43-P125 HydrophobicContact CE1-CB 3.75Å; Y43-P125 HydrophobicContact CE1-CG 4.01Å; Y43-P125 HydrophobicContact CE2-CB 4.4Å; Y43-F136 AromaticContact CD2-CD1 3.96Å; Y43-F136 HydrophobicContact CD2-CD1 3.96Å; Y43-F136 HydrophobicContact CD2-CE1 4.35Å; Y43-F136 AromaticContact CE2-CD1 3.73Å; Y43-F136 HydrophobicContact CE2-CD1 3.73Å; Y43-F136 AromaticContact CE2-CE1 3.64Å; Y43-F136 HydrophobicContact CE2-CE1 3.64Å; Y43-N137 WeakPolarHBondContact CB-O 3.39Å; Y43-F138 HydrophobicContact CD2-CD1 4.34Å; Y43-F138 HydrophobicContact CD2-CE1 4.05Å; Y43-F138 HydrophobicContact CG-CD1 4.02Å; Y43-F138 HydrophobicContact CG-CE1 4.04Å; Y43-L154 HydrophobicContact CD1-CD1 4.48Å
44E96.3Very high87.1Confident5 Ų542 Ų422%0.02321%0.212CC..EExtended strand (participates in β ladder)trans-109.9151176.8-75.4-174.7161.300112.5Y42 T87 I88 F136 N137 F143 K144 F145Y42-E44 HydrophobicContact CE1-CG 3.59Å; Y42-E44 WeakPolarHBondContact OH-CG 3.43Å; Y42-E44 PolarHBondContact OH-OE1 3.42Å; E44-T87 HydrophobicContact CB-CG2 4.11Å; E44-T87 HydrophobicContact CG-CG2 4.17Å; E44-I88 CarbonylContact C-O 3.52Å; E44-I88 WeakPolarHBondContact CA-O 3.49Å; E44-F136 WeakPolarHBondContact O-CA 3.45Å; E44-N137 HydrophobicContact CB-CB 4.3Å; E44-N137 PolarHBondContact N-O 3.41Å; E44-N137 PolarHBondContact O-N 3.19Å; E44-F143 HydrophobicContact CB-CD1 4.12Å; E44-F143 HydrophobicContact CB-CE1 4.49Å; E44-F143 HydrophobicContact CG-CD1 3.73Å; E44-F143 HydrophobicContact CG-CE1 4.34Å; E44-F143 HydrophobicContact CG-CG 4.42Å; E44-F143 WeakPolarHBondContact OE2-CA 3.32Å; E44-K144 PolarHBondContact OE1-N 2.91Å; E44-K144 PolarHBondContact OE2-N 2.85Å; E44-F145 VanDerWaalsContact OE1-C 3.3Å; E44-F145 VanDerWaalsContact OE1-CA 3.28Å; E44-F145 WeakPolarHBondContact OE1-CA 3.41Å; E44-F145 WeakPolarHBondContact OE1-CB 3.5Å; E44-F145 PolarHBondContact OE1-N 3.12Å
45V94.4Very high87.1Confident0 Ų038.6 Ų38.60%020%0.2CC..EExtended strand (participates in β ladder)trans-134.3126170.5-168.30000109.9Y43 V55 T87 I88 L134 K135 F136Y43-V45 HydrophobicContact CD2-CG2 3.77Å; Y43-V45 HydrophobicContact CE2-CG2 3.35Å; V45-V55 HydrophobicContact CB-CG1 4.18Å; V45-V55 HydrophobicContact CG1-CG1 3.88Å; V45-V55 HydrophobicContact CG2-CB 4.28Å; V45-V55 HydrophobicContact CG2-CG1 4.09Å; V45-T87 CarbonylContact O-C 3.5Å; V45-T87 WeakPolarHBondContact O-CA 3.08Å; V45-I88 PolarHBondContact N-O 3.12Å; V45-I88 PolarHBondContact O-N 3.43Å; V45-L134 HydrophobicContact CG1-CB 3.72Å; V45-L134 HydrophobicContact CG1-CD1 3.78Å; V45-L134 HydrophobicContact CG1-CD2 4.11Å; V45-L134 HydrophobicContact CG1-CG 4.1Å; V45-K135 CarbonylContact C-O 3.18Å; V45-K135 WeakPolarHBondContact CA-O 3.28Å; V45-F136 HydrophobicContact CG1-CD2 4.43Å; V45-F136 HydrophobicContact CG1-CE2 4.32Å; V45-F136 HydrophobicContact CG1-CZ 4.41Å; V45-F136 HydrophobicContact CG2-CD1 3.67Å; V45-F136 HydrophobicContact CG2-CE1 3.63Å; V45-F136 HydrophobicContact CG2-CG 4.27Å; V45-F136 HydrophobicContact CG2-CZ 4.19Å
46S92.2Very high87.1Confident31 Ų3138.9 Ų38.922%0.21720%0.203CC..EExtended strand (participates in β ladder)trans-103.3131.6176.6-59.90000110.7D86 T87 L134 K135S46-D86 WeakPolarHBondContact CA-O 3.37Å; S46-T87 PolarHBondContact OG-OG1 2.96Å; S46-L134 CarbonylContact O-C 3.56Å; S46-L134 WeakPolarHBondContact O-CA 3.42Å; S46-K135 PolarHBondContact N-O 3.15Å; S46-K135 PolarHBondContact O-N 3.16Å
47C85.1Confident87Confident5 Ų540.6 Ų40.63%0.03421%0.209CC..EExtended strand (participates in β ladder)trans-83.4119.1175.5-65.70000110.4T83 H85 D86 I88 L134C47-T83 WeakPolarHBondContact CB-O 3.41Å; C47-H85 WeakPolarHBondContact O-CA 3.28Å; C47-H85 PolarHBondContact O-N 3.15Å; C47-D86 PolarHBondContact N-O 3.48Å; C47-I88 VanDerWaalsContact SG-CD1 3.5Å; C47-L134 HydrophobicContact CB-CD2 4.19Å; C47-L134 VanDerWaalsContact SG-CD2 3.54Å
48H74.5Confident87Confident74 Ų7438.9 Ų38.934%0.34320%0.202SC..  trans-104.9-12.2-175.8-73.8-169.1000113.9E133H48-E133 HydrophobicContact CB-CB 4.48Å; H48-E133 HydrophobicContact CB-CG 4.25Å; H48-E133 PolarHBondContact N-O 3.33Å; H48-E133 IonicContact ND1-OE1 3.33Å
49D72.4Confident86.9Confident55 Ų5533.8 Ų33.829%0.29418%0.182SC..SBendtrans-145.4161.9-174.6-148.4-26.8000112.7R22 G51 E133R22-D49 IonicContact CZ-OD2 3.92Å; R22-D49 IonicContact NH1-OD2 2.99Å; R22-D49 PolarHBondContact NH1-OD2 2.88Å; R22-D49 IonicContact NH2-OD2 3.09Å; R22-D49 PolarHBondContact NH2-OD2 3.18Å; D49-G51 PolarHBondContact O-N 3.41Å; D49-E133 HydrophobicContact CB-CB 3.9Å
50Q66Low86.5Confident143 Ų14335.3 Ų35.367%0.66819%0.188SC*.SBendtrans-78.5115.3176.2-63.7-171.1-2.700110.3M84Q50-M84 HydrophobicContact CG-CB 4.5Å; Q50-M84 HydrophobicContact CG-SD 3.99Å
51G74.9Confident85.6Confident39 Ų3940.3 Ų40.340%0.40221%0.212SC..SBendtrans176.5-176.6-178.300000113D49 N131D49-G51 PolarHBondContact O-N 3.41Å; G51-N131 WeakPolarHBondContact CA-O 3.39Å
52L80.8Confident84.7Confident102 Ų10241.8 Ų41.853%0.53422%0.224SC..EExtended strand (participates in β ladder)trans-99.8125.2176.3-61.6177.3000109.9W27 K130W27-L52 HydrophobicContact CH2-CB 3.49Å; W27-L52 VanDerWaalsContact CH2-CB 3.49Å; W27-L52 HydrophobicContact CZ2-CB 3.95Å; W27-L52 HydrophobicContact CZ2-CD1 4.18Å; W27-L52 HydrophobicContact CZ3-CB 4.24Å; W27-L52 WeakPolarHBondContact CZ3-O 3.24Å; L52-K130 HydrophobicContact CB-CB 4.25Å; L52-K130 HydrophobicContact CD1-CD 4.43Å; L52-K130 PolarHBondContact N-O 3.34Å; L52-K130 PolarHBondContact O-N 3.43Å
53C85.5Confident83.5Confident26 Ų2645.1 Ų45.118%0.17625%0.248CC..EExtended strand (participates in β ladder)trans-132.6157.2177690000111.3V128 L129 A132 L134C53-V128 CarbonylContact C-O 3.56Å; C53-V128 WeakPolarHBondContact CA-O 3.16Å; C53-L129 HydrophobicContact CB-CD2 3.54Å; C53-A132 HydrophobicContact CB-CB 4.22Å; C53-L134 HydrophobicContact CB-CD1 4Å; C53-L134 HydrophobicContact CB-CD2 4.12Å; C53-L134 HydrophobicContact CB-CG 4.26Å
54R85.9Confident82.1Confident66 Ų6646.8 Ų46.825%0.24926%0.257CS..EExtended strand (participates in β ladder)trans-137.6144.4160.9-50.5-170-164.2116.234.4109.7W27 L66 K68 C127 V128W27-R54 HydrophobicContact CH2-CG 4.43Å; W27-R54 HydrophobicContact CZ3-CG 4.41Å; R54-L66 PolarHBondContact NH1-O 2.9Å; R54-K68 VanDerWaalsContact NH1-C 3.34Å; R54-K68 VanDerWaalsContact NH1-CA 3.26Å; R54-K68 PolarHBondContact NH1-O 2.94Å; R54-C127 CarbonylContact O-C 3.58Å; R54-C127 WeakPolarHBondContact O-CA 3.45Å; R54-C127 WeakPolarHBondContact O-CB 3.35Å; R54-V128 HydrophobicContact CB-CG2 3.7Å; R54-V128 HydrophobicContact CG-CG2 4.06Å; R54-V128 PolarHBondContact N-O 3.01Å; R54-V128 PolarHBondContact O-N 3.06Å
55V88.9Confident80Confident21 Ų2150.9 Ų50.913%0.12728%0.279CS..EExtended strand (participates in β ladder)trans-130.7152.8-179-620000109.2V45 I88 A126 C127 L134V45-V55 HydrophobicContact CB-CG1 4.18Å; V45-V55 HydrophobicContact CG1-CG1 3.88Å; V45-V55 HydrophobicContact CG2-CB 4.28Å; V45-V55 HydrophobicContact CG2-CG1 4.09Å; V55-I88 HydrophobicContact CG2-CB 4.19Å; V55-I88 HydrophobicContact CG2-CG1 4.47Å; V55-I88 HydrophobicContact CG2-CG2 3.83Å; V55-A126 WeakPolarHBondContact CA-O 3.44Å; V55-C127 HydrophobicContact CG1-CB 4.11Å; V55-L134 HydrophobicContact CG1-CD1 3.36Å
56G90Very high77.8Confident6 Ų654.8 Ų54.86%0.06230%0.299CS..EExtended strand (participates in β ladder)trans157.3-140.7175.900000112.8Y43 P125 A126Y43-G56 WeakPolarHBondContact OH-CA 3.34Å; Y43-G56 PolarHBondContact OH-N 3.35Å; Y43-G56 PolarHBondContact OH-O 3.02Å; G56-P125 WeakPolarHBondContact O-CA 3.44Å; G56-A126 PolarHBondContact N-O 3.33Å; G56-A126 PolarHBondContact O-N 3.15Å
57W90.4Very high75.4Confident37 Ų3755.3 Ų55.314%0.1431%0.309CS..EExtended strand (participates in β ladder)trans-124.3138.1-172-56.393.4000110.1L36 Y43 L92 L123 F124 P125 L154L36-W57 HydrophobicContact CD1-CH2 3.81Å; L36-W57 HydrophobicContact CD1-CZ3 3.82Å; Y43-W57 AromaticContact CD1-CH2 3.64Å; Y43-W57 HydrophobicContact CD1-CH2 3.64Å; Y43-W57 AromaticContact CD1-CZ2 3.51Å; Y43-W57 HydrophobicContact CD1-CZ2 3.51Å; Y43-W57 HydrophobicContact CD1-CZ3 4.41Å; Y43-W57 HydrophobicContact CE1-CD2 4.12Å; Y43-W57 AromaticContact CE1-CE2 3.58Å; Y43-W57 HydrophobicContact CE1-CE3 4.34Å; Y43-W57 AromaticContact CE1-CH2 3.7Å; Y43-W57 HydrophobicContact CE1-CH2 3.7Å; Y43-W57 AromaticContact CE1-CZ2 3.37Å; Y43-W57 HydrophobicContact CE1-CZ2 3.37Å; Y43-W57 HydrophobicContact CE1-CZ3 4.16Å; W57-L92 HydrophobicContact CD2-CB 4.05Å; W57-L92 HydrophobicContact CD2-CD2 3.77Å; W57-L92 HydrophobicContact CD2-CG 4.37Å; W57-L92 VanDerWaalsContact CE2-CB 3.45Å; W57-L92 HydrophobicContact CE3-CD2 3.6Å; W57-L92 HydrophobicContact CG-CD2 4.42Å; W57-L92 HydrophobicContact CH2-CB 3.92Å; W57-L92 HydrophobicContact CH2-CD2 3.93Å; W57-L92 HydrophobicContact CZ2-CB 3.38Å; W57-L92 HydrophobicContact CZ2-CD2 4.12Å; W57-L92 HydrophobicContact CZ2-CG 4.37Å; W57-L92 HydrophobicContact CZ3-CB 4.47Å; W57-L92 HydrophobicContact CZ3-CD2 3.68Å; W57-L123 HydrophobicContact CB-CB 4.28Å; W57-L123 HydrophobicContact CB-CD2 4.36Å; W57-L123 HydrophobicContact CE3-CB 4.42Å; W57-F124 CarbonylContact C-O 3.5Å; W57-F124 WeakPolarHBondContact CA-O 3.46Å; W57-P125 HydrophobicContact CE3-CG 4.13Å; W57-P125 HydrophobicContact CH2-CG 4.28Å; W57-P125 HydrophobicContact CZ3-CG 3.66Å; W57-L154 HydrophobicContact CH2-CD1 3.7Å; W57-L154 HydrophobicContact CZ3-CD1 3.78Å
58S88.9Confident73.3Confident21 Ų2162.7 Ų62.715%0.14734%0.341CS..EExtended strand (participates in β ladder)trans-139.7144.9-176.2-174.80000110.8A62 F124S58-A62 WeakPolarHBondContact OG-CB 3.38Å; S58-F124 PolarHBondContact N-O 2.82Å; S58-F124 PolarHBondContact O-N 3.07Å
59T88.1Confident71.8Confident13 Ų1362 Ų628%0.0834%0.337CS..  trans-82.6164.4170.263.50000110.1R31 Q61 A62 M118 Q121 L123R31-T59 PolarHBondContact NH1-O 3.18Å; T59-Q61 PolarHBondContact O-N 3.39Å; T59-A62 PolarHBondContact O-N 3.49Å; T59-M118 HydrophobicContact CG2-CE 3.3Å; T59-Q121 HydrophobicContact CG2-CB 4.16Å; T59-L123 HydrophobicContact CG2-CD2 3.67Å
60M81.4Confident70.2Confident37 Ų3762.6 Ų62.618%0.18235%0.345CS..THydrogen-bonded Turntrans-65.1-26.2178.4-74.1-166.158.600114.2R31 A62 F124 Q166R31-M60 PolarHBondContact NH1-O 3.1Å; R31-M60 VanDerWaalsContact NH1-O 3.16Å; M60-A62 VanDerWaalsContact C-N 3.34Å; M60-F124 HydrophobicContact CG-CD2 4.02Å; M60-F124 HydrophobicContact CG-CE2 3.44Å; M60-F124 VanDerWaalsContact CG-CE2 3.44Å; M60-F124 HydrophobicContact CG-CZ 3.92Å; M60-F124 HydrophobicContact SD-CE2 4.03Å; M60-F124 HydrophobicContact SD-CZ 3.93Å; M60-Q166 HydrophobicContact CE-CB 3.39Å; M60-Q166 HydrophobicContact CE-CG 3.61Å; M60-Q166 HydrophobicContact SD-CB 4.21Å; M60-Q166 HydrophobicContact SD-CG 3.79Å
61Q75.9Confident69.1Low163 Ų16359.8 Ų59.876%0.76233%0.332SS*.THydrogen-bonded Turntrans-82.9-13.1-177-66.2166.4-8.300112.8T59T59-Q61 PolarHBondContact O-N 3.39Å
62A75.8Confident67.5Low33 Ų3365 Ų6527%0.27335%0.351SS..SBendtrans-71.7146.4179.900000111.8R31 S58 T59 M60R31-A62 PolarHBondContact NH1-O 2.7Å; S58-A62 WeakPolarHBondContact OG-CB 3.38Å; T59-A62 PolarHBondContact O-N 3.49Å; M60-A62 VanDerWaalsContact C-N 3.34Å
63S70.4Confident65.7Low71 Ų7168.7 Ų68.750%0.49736%0.363SS..  trans-71.2145.5172.1175.80000111.2D65S63-D65 VanDerWaalsContact C-N 3.27Å; S63-D65 PolarHBondContact OG-N 2.96Å
64L66.5Low63.5Low34 Ų3474.6 Ų74.618%0.17839%0.388CS..SBendtrans-84.85.9175.6-63.2177000113.4D5 G29 R31 V128D5-L64 WeakPolarHBondContact OD1-CD1 3.44Å; G29-L64 WeakPolarHBondContact CA-O 3.47Å; G29-L64 PolarHBondContact N-O 3.49Å; R31-L64 HydrophobicContact CG-CD2 4.05Å; L64-V128 WeakPolarHBondContact O-CG1 3.47Å
65D52.4Low62.1Low91 Ų9178.9 Ų78.949%0.48741%0.408SS..  trans-124.430.6-174.3-173.120000113.3W27 S63 G67W27-D65 VanDerWaalsContact O-OD1 3.09Å; S63-D65 VanDerWaalsContact C-N 3.27Å; S63-D65 PolarHBondContact OG-N 2.96Å; D65-G67 PolarHBondContact O-N 3.08Å
66L48Very low60.3Low82 Ų8283.7 Ų83.743%0.42943%0.433SS..  trans-87.1100.4-178.8-71.9168.1000111.6R54R54-L66 PolarHBondContact NH1-O 2.9Å
67G41.6Very low58.6Low42 Ų4291.6 Ų91.643%0.43347%0.474SS..  trans-66.3139.9161.600000113.2D65D65-G67 PolarHBondContact O-N 3.08Å
68K40.3Very low57.1Low160 Ų16092.8 Ų92.870%0.69648%0.479SS*.SBendtrans42.1163.9-166.7-71.6-175.7177.6-177.90117.7R54 S70R54-K68 VanDerWaalsContact NH1-C 3.34Å; R54-K68 VanDerWaalsContact NH1-CA 3.26Å; R54-K68 PolarHBondContact NH1-O 2.94Å; K68-S70 PolarHBondContact O-N 3.48Å; K68-S70 VanDerWaalsContact O-N 3.15Å
69K44.5Very low55.8Low60 Ų6094.1 Ų94.126%0.26150%0.496SS..  trans-38.8116.4-177.3-114.5173.1166.8173.80111.2D76K69-D76 WeakPolarHBondContact CD-O 3.49Å; K69-D76 VanDerWaalsContact CE-O 3.25Å; K69-D76 WeakPolarHBondContact CE-O 3.16Å; K69-D76 PolarHBondContact NZ-O 3Å
70S38.5Very low54.8Low67 Ų6798.1 Ų98.147%0.46951%0.514SS..  trans-131.994.8175.5-172.80000109.3K68K68-S70 PolarHBondContact O-N 3.48Å; K68-S70 VanDerWaalsContact O-N 3.15Å
71H42.5Very low54.5Low85 Ų85104.8 Ų104.839%0.39454%0.544SS..BIsolated β-bridgetrans-109.3105.7146.1-16472.7000105.7K73 Q74 P115H71-K73 VanDerWaalsContact C-N 3.31Å; H71-K73 PolarHBondContact O-N 3.19Å; H71-K73 VanDerWaalsContact O-N 3.12Å; H71-Q74 PolarHBondContact O-N 3.19Å; H71-P115 WeakPolarHBondContact CE1-CG 3.36Å; H71-P115 WeakPolarHBondContact NE2-CG 3.32Å
72N41.9Very low54.6Low149 Ų149100.3 Ų100.380%0.79752%0.522SS*.THydrogen-bonded Turntrans51.939.6176.6-152.925.6000115.6Q74N72-Q74 PolarHBondContact O-N 3.05Å
73K42Very low54.8Low179 Ų179102.7 Ų102.778%0.77853%0.534SS*.THydrogen-bonded Turntrans64.919.8-179.8-54.9-179.8177.2178.50117H71H71-K73 VanDerWaalsContact C-N 3.31Å; H71-K73 PolarHBondContact O-N 3.19Å; H71-K73 VanDerWaalsContact O-N 3.12Å
74Q40.5Very low55.1Low150 Ų150102.7 Ų102.770%0.70153%0.527SS*.BIsolated β-bridgetrans-104.2141.3171.9-77.2-176.2-18.500113.1H71 N72H71-Q74 PolarHBondContact O-N 3.19Å; N72-Q74 PolarHBondContact O-N 3.05Å
75F56.6Low55.8Low155 Ų155107.2 Ų107.268%0.6855%0.547SS*.  trans-115110.3-172.9-48.3-80.6000111.1
76D50.4Low57.6Low123 Ų123103.6 Ų103.666%0.65853%0.527SS*.  trans-115.9170.6168.7-82-44.4000111.3K69K69-D76 WeakPolarHBondContact CD-O 3.49Å; K69-D76 VanDerWaalsContact CE-O 3.25Å; K69-D76 WeakPolarHBondContact CE-O 3.16Å; K69-D76 PolarHBondContact NZ-O 3Å
77N54.8Low59.7Low172 Ų17299.8 Ų99.892%0.9251%0.507SS*.  trans-102.3127.4167.3-77.2-21.7000109.3
78Y58.5Low62.2Low62 Ų6297.8 Ų97.824%0.24349%0.487CS..  trans-139.5124.7-179.4170.4-89.3000107.5F101 L108 G109 L110 A111Y78-F101 HydrophobicContact CE1-CB 4.36Å; Y78-F101 AromaticContact CE1-CD2 3.77Å; Y78-F101 HydrophobicContact CE1-CD2 3.77Å; Y78-F101 PolarHBondContact OH-N 2.74Å; Y78-L108 HydrophobicContact CE1-CB 4.18Å; Y78-L108 WeakPolarHBondContact CE2-O 3.48Å; Y78-L108 WeakPolarHBondContact OH-CB 3.5Å; Y78-L108 PolarHBondContact OH-O 2.85Å; Y78-G109 PolarHBondContact OH-O 3.31Å; Y78-L110 VanDerWaalsContact CE2-C 3.49Å; Y78-L110 WeakPolarHBondContact CE2-O 3.2Å; Y78-A111 HydrophobicContact CD1-CB 4Å; Y78-A111 HydrophobicContact CD2-CB 4.25Å; Y78-A111 HydrophobicContact CE1-CB 3.52Å; Y78-A111 HydrophobicContact CE2-CB 3.8Å; Y78-A111 HydrophobicContact CG-CB 4.34Å
79G62Low64.8Low48 Ų4890.2 Ų90.250%0.49545%0.454SS..SBendtrans74.3-172.7-179.100000115
80E67Low67.2Low98 Ų9887.3 Ų87.346%0.45844%0.442SS..PPolyproline II helixtrans-101.7157.7176.8-62.6169.2-161.200109.9K106E80-K106 IonicContact OE1-NZ 3.37Å; E80-K106 PolarHBondContact OE1-NZ 2.92Å
81E73.7Confident69.8Low176 Ų17684.8 Ų84.882%0.82242%0.422SS*.PPolyproline II helixtrans-64.4142.5173.8-64.5-176.4168.400111.3K103E81-K103 PolarHBondContact O-NZ 2.94Å
82F78.6Confident72.3Confident69 Ų6980.8 Ų80.830%0.30340%0.403SS..PPolyproline II helixtrans-90.5138.8176-50.8-59.6000110.4I88 K103 L108F82-I88 HydrophobicContact CB-CD1 4.36Å; F82-I88 HydrophobicContact CD1-CD1 4.16Å; F82-I88 HydrophobicContact CD1-CG1 3.6Å; F82-I88 HydrophobicContact CD2-CD1 4.43Å; F82-I88 HydrophobicContact CD2-CG1 4.11Å; F82-I88 HydrophobicContact CE1-CG1 3.61Å; F82-I88 HydrophobicContact CE1-CG2 4.38Å; F82-I88 HydrophobicContact CE2-CG1 4.11Å; F82-I88 HydrophobicContact CG-CD1 4.07Å; F82-I88 HydrophobicContact CG-CG1 3.87Å; F82-I88 HydrophobicContact CZ-CG1 3.87Å; F82-I88 HydrophobicContact CZ-CG2 4.15Å; F82-K103 HydrophobicContact CD1-CD 4.12Å; F82-K103 HydrophobicContact CD1-CG 4.17Å; F82-K103 HydrophobicContact CE1-CB 4.26Å; F82-K103 HydrophobicContact CE1-CD 4.44Å; F82-K103 HydrophobicContact CE1-CG 4.34Å; F82-L108 HydrophobicContact CE1-CD1 4.4Å
83T81.2Confident74.7Confident84 Ų8474.1 Ų74.152%0.51537%0.368SS..  trans-117.8169.7178.857.80000111.5C47 H85 D86C47-T83 WeakPolarHBondContact CB-O 3.41Å; T83-H85 PolarHBondContact O-N 2.91Å; T83-D86 WeakPolarHBondContact CA-OD2 3.39Å; T83-D86 PolarHBondContact N-OD2 2.67Å; T83-D86 VanDerWaalsContact O-CB 3.3Å; T83-D86 WeakPolarHBondContact O-CB 3.47Å; T83-D86 PolarHBondContact O-N 3.32Å; T83-D86 VanDerWaalsContact O-N 3.13Å; T83-D86 PolarHBondContact OG1-OD2 2.96Å
84M75.4Confident76.9Confident71 Ų7166.7 Ų66.735%0.3534%0.336SS..THydrogen-bonded Turntrans-53.4136.9173.7-171.1177.6174.100110.3Q50 D86Q50-M84 HydrophobicContact CG-CB 4.5Å; Q50-M84 HydrophobicContact CG-SD 3.99Å; M84-D86 VanDerWaalsContact C-N 3.28Å; M84-D86 PolarHBondContact O-N 3.19Å
85H81.8Confident79.1Confident129 Ų12964.6 Ų64.660%0.59733%0.33SS*.THydrogen-bonded Turntrans75.2-4-174.8-48-61.3000117.2C47 T83C47-H85 WeakPolarHBondContact O-CA 3.28Å; C47-H85 PolarHBondContact O-N 3.15Å; T83-H85 PolarHBondContact O-N 2.91Å
86D89.9Confident80.7Confident14 Ų1463.6 Ų63.68%0.07533%0.325CS..  trans-67.6146.7170.8-71.8-37.3000111.4S46 C47 T83 M84 K103 N104S46-D86 WeakPolarHBondContact CA-O 3.37Å; C47-D86 PolarHBondContact N-O 3.48Å; T83-D86 WeakPolarHBondContact CA-OD2 3.39Å; T83-D86 PolarHBondContact N-OD2 2.67Å; T83-D86 VanDerWaalsContact O-CB 3.3Å; T83-D86 WeakPolarHBondContact O-CB 3.47Å; T83-D86 PolarHBondContact O-N 3.32Å; T83-D86 VanDerWaalsContact O-N 3.13Å; T83-D86 PolarHBondContact OG1-OD2 2.96Å; M84-D86 VanDerWaalsContact C-N 3.28Å; M84-D86 PolarHBondContact O-N 3.19Å; D86-K103 WeakPolarHBondContact OD1-CE 3.45Å; D86-K103 WeakPolarHBondContact OD2-CE 3.49Å; D86-K103 IonicContact OD2-NZ 2.76Å; D86-K103 PolarHBondContact OD2-NZ 3.06Å; D86-N104 WeakPolarHBondContact CA-OD1 3.33Å; D86-N104 PolarHBondContact OD1-ND2 3.38Å
87T92.4Very high82.4Confident2 Ų257.9 Ų57.91%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-116.3122.1171.9-53.90000109.3E44 V45 S46 N104 F145E44-T87 HydrophobicContact CB-CG2 4.11Å; E44-T87 HydrophobicContact CG-CG2 4.17Å; V45-T87 CarbonylContact O-C 3.5Å; V45-T87 WeakPolarHBondContact O-CA 3.08Å; S46-T87 PolarHBondContact OG-OG1 2.96Å; T87-N104 PolarHBondContact N-OD1 2.87Å; T87-N104 PolarHBondContact O-N 3.04Å; T87-F145 HydrophobicContact CG2-CD2 4.05Å; T87-F145 HydrophobicContact CG2-CE2 4.36Å
88I93.8Very high84.2Confident0 Ų052.7 Ų52.70%027%0.265CS..EExtended strand (participates in β ladder)trans-98.7120.7-180-56.385.8000108.4E44 V45 C47 V55 F82 F101 S102E44-I88 CarbonylContact C-O 3.52Å; E44-I88 WeakPolarHBondContact CA-O 3.49Å; V45-I88 PolarHBondContact N-O 3.12Å; V45-I88 PolarHBondContact O-N 3.43Å; C47-I88 VanDerWaalsContact SG-CD1 3.5Å; V55-I88 HydrophobicContact CG2-CB 4.19Å; V55-I88 HydrophobicContact CG2-CG1 4.47Å; V55-I88 HydrophobicContact CG2-CG2 3.83Å; F82-I88 HydrophobicContact CB-CD1 4.36Å; F82-I88 HydrophobicContact CD1-CD1 4.16Å; F82-I88 HydrophobicContact CD1-CG1 3.6Å; F82-I88 HydrophobicContact CD2-CD1 4.43Å; F82-I88 HydrophobicContact CD2-CG1 4.11Å; F82-I88 HydrophobicContact CE1-CG1 3.61Å; F82-I88 HydrophobicContact CE1-CG2 4.38Å; F82-I88 HydrophobicContact CE2-CG1 4.11Å; F82-I88 HydrophobicContact CG-CD1 4.07Å; F82-I88 HydrophobicContact CG-CG1 3.87Å; F82-I88 HydrophobicContact CZ-CG1 3.87Å; F82-I88 HydrophobicContact CZ-CG2 4.15Å; I88-F101 HydrophobicContact CG2-CD1 4.18Å; I88-S102 CarbonylContact C-O 3.55Å; I88-S102 WeakPolarHBondContact CA-O 3.38Å
89G94.8Very high85.7Confident1 Ų150.2 Ų50.21%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-88.5122.7169.300000110Y42 F101 S102Y42-G89 WeakPolarHBondContact OH-CA 3.43Å; G89-F101 CarbonylContact O-C 3.49Å; G89-F101 VanDerWaalsContact O-CA 3.23Å; G89-F101 WeakPolarHBondContact O-CA 3.46Å; G89-S102 WeakPolarHBondContact CA-OG 3.48Å; G89-S102 PolarHBondContact N-O 3.03Å; G89-S102 PolarHBondContact O-N 3.45Å
90C94.5Very high87.1Confident0 Ų049.5 Ų49.50%024%0.24CC..EExtended strand (participates in β ladder)trans-108.5112.7-176.9-63.50000110Y42 Y43 F101Y42-C90 WeakPolarHBondContact CA-O 3.29Å; Y43-C90 HydrophobicContact CD1-CB 3.77Å; Y43-C90 HydrophobicContact CD2-CB 4.12Å; Y43-C90 HydrophobicContact CE1-CB 3.39Å; Y43-C90 HydrophobicContact CE2-CB 3.76Å; Y43-C90 HydrophobicContact CG-CB 4.12Å; Y43-C90 PolarHBondContact N-O 3.25Å; Y43-C90 PolarHBondContact O-N 3.36Å; C90-F101 HydrophobicContact CB-CD1 4.31Å; C90-F101 HydrophobicContact CB-CE1 4.26Å
91Y94.4Very high88.2Confident14 Ų1445.8 Ų45.86%0.05522%0.222CC..EExtended strand (participates in β ladder)trans-108.9139.5-175.5-60.6-103.9000111Y42 K100 S102 P147 F151Y42-Y91 AromaticContact CD2-CD1 3.71Å; Y42-Y91 HydrophobicContact CD2-CD1 3.71Å; Y42-Y91 AromaticContact CD2-CD2 3.98Å; Y42-Y91 HydrophobicContact CD2-CD2 3.98Å; Y42-Y91 AromaticContact CD2-CE1 3.57Å; Y42-Y91 HydrophobicContact CD2-CE1 3.57Å; Y42-Y91 AromaticContact CD2-CE2 3.85Å; Y42-Y91 HydrophobicContact CD2-CE2 3.85Å; Y42-Y91 AromaticContact CD2-CG 3.89Å; Y42-Y91 HydrophobicContact CD2-CG 3.89Å; Y42-Y91 AromaticContact CD2-CZ 3.63Å; Y42-Y91 HydrophobicContact CE2-CD1 4.31Å; Y42-Y91 HydrophobicContact CE2-CD2 4.02Å; Y42-Y91 AromaticContact CE2-CE1 3.84Å; Y42-Y91 HydrophobicContact CE2-CE1 3.84Å; Y42-Y91 AromaticContact CE2-CE2 3.5Å; Y42-Y91 HydrophobicContact CE2-CE2 3.5Å; Y42-Y91 VanDerWaalsContact CE2-CE2 3.5Å; Y42-Y91 HydrophobicContact CE2-CG 4.39Å; Y42-Y91 AromaticContact CE2-CZ 3.38Å; Y42-Y91 HydrophobicContact CG-CE1 4.48Å; Y91-K100 WeakPolarHBondContact CB-O 3.33Å; Y91-K100 HydrophobicContact CD1-CG 4.46Å; Y91-K100 HydrophobicContact CD2-CG 3.88Å; Y91-K100 HydrophobicContact CG-CD 4.29Å; Y91-K100 HydrophobicContact CG-CG 3.67Å; Y91-K100 PolarHBondContact N-O 3.01Å; Y91-K100 PolarHBondContact O-N 3.41Å; Y91-S102 WeakPolarHBondContact CE2-OG 3.31Å; Y91-P147 HydrophobicContact CE1-CB 3.82Å; Y91-F151 HydrophobicContact CD1-CB 4.46Å; Y91-F151 AromaticContact CD1-CD1 3.81Å; Y91-F151 HydrophobicContact CD1-CD1 3.81Å; Y91-F151 HydrophobicContact CD1-CD2 4.09Å; Y91-F151 AromaticContact CD1-CE1 3.97Å; Y91-F151 HydrophobicContact CD1-CE1 3.97Å; Y91-F151 HydrophobicContact CD1-CE2 4.22Å; Y91-F151 AromaticContact CD1-CG 3.87Å; Y91-F151 HydrophobicContact CD1-CG 3.87Å; Y91-F151 HydrophobicContact CD1-CZ 4.16Å; Y91-F151 HydrophobicContact CE1-CG 4.49Å; Y91-F151 HydrophobicContact CG-CE1 4.38Å
92L93.3Very high89.1Confident0 Ų037.4 Ų37.40%018%0.184CC..EExtended strand (participates in β ladder)trans-136.2114.7175177.666.2000110.5L36 K40 H41 W57 I94 V99 I114 L123L36-L92 HydrophobicContact CB-CD2 4.26Å; L36-L92 HydrophobicContact CD1-CD2 4.18Å; K40-L92 CarbonylContact C-O 3.11Å; K40-L92 WeakPolarHBondContact CA-O 3.15Å; H41-L92 PolarHBondContact N-O 2.89Å; H41-L92 PolarHBondContact O-N 3.27Å; W57-L92 HydrophobicContact CD2-CB 4.05Å; W57-L92 HydrophobicContact CD2-CD2 3.77Å; W57-L92 HydrophobicContact CD2-CG 4.37Å; W57-L92 VanDerWaalsContact CE2-CB 3.45Å; W57-L92 HydrophobicContact CE3-CD2 3.6Å; W57-L92 HydrophobicContact CG-CD2 4.42Å; W57-L92 HydrophobicContact CH2-CB 3.92Å; W57-L92 HydrophobicContact CH2-CD2 3.93Å; W57-L92 HydrophobicContact CZ2-CB 3.38Å; W57-L92 HydrophobicContact CZ2-CD2 4.12Å; W57-L92 HydrophobicContact CZ2-CG 4.37Å; W57-L92 HydrophobicContact CZ3-CB 4.47Å; W57-L92 HydrophobicContact CZ3-CD2 3.68Å; L92-I94 HydrophobicContact CD1-CG1 4.02Å; L92-I94 HydrophobicContact CD2-CD1 3.77Å; L92-I94 HydrophobicContact CD2-CG1 3.71Å; L92-I94 HydrophobicContact CG-CD1 4.25Å; L92-I94 HydrophobicContact CG-CG1 3.61Å; L92-V99 HydrophobicContact CD1-CG2 3.76Å; L92-I114 HydrophobicContact CD1-CD1 3.72Å; L92-L123 HydrophobicContact CD1-CD1 3.75Å; L92-L123 HydrophobicContact CD2-CB 4Å; L92-L123 HydrophobicContact CD2-CD1 4.26Å
93D92.9Very high89.8Confident9 Ų935.6 Ų35.65%0.04818%0.176CC..EExtended strand (participates in β ladder)trans-107.691.4171-176-20.7000107.6K40 D95 K96 G97 H98 F151K40-D93 WeakPolarHBondContact CD-OD2 3.39Å; K40-D93 WeakPolarHBondContact CE-OD2 3.26Å; K40-D93 HydrophobicContact CG-CB 4.22Å; K40-D93 IonicContact NZ-OD2 2.74Å; K40-D93 PolarHBondContact NZ-OD2 2.82Å; D93-D95 VanDerWaalsContact C-N 3.26Å; D93-D95 PolarHBondContact O-N 3.47Å; D93-D95 PolarHBondContact OD1-N 3.49Å; D93-K96 PolarHBondContact OD1-N 3.34Å; D93-G97 CarbonylContact O-C 3.53Å; D93-G97 WeakPolarHBondContact O-CA 3.17Å; D93-G97 PolarHBondContact O-N 3.04Å; D93-H98 HydrophobicContact CB-CB 4.33Å; D93-H98 PolarHBondContact N-O 2.85Å; D93-H98 PolarHBondContact O-N 3.16Å; D93-F151 HydrophobicContact CB-CE1 4.2Å; D93-F151 HydrophobicContact CB-CZ 3.95Å
94I88.4Confident90.3Very high24 Ų2434.6 Ų34.612%0.12317%0.167CC..THydrogen-bonded Turntrans-68.1-33-176.6-59.1-179.6000110.7L36 M37 G39 L92 K96 G97L36-I94 VanDerWaalsContact C-CD1 3.43Å; L36-I94 HydrophobicContact CB-CD1 3.6Å; L36-I94 WeakPolarHBondContact O-CD1 3.48Å; M37-I94 VanDerWaalsContact C-CD1 3.47Å; M37-I94 WeakPolarHBondContact O-CG2 3.48Å; G39-I94 PolarHBondContact O-N 2.85Å; G39-I94 VanDerWaalsContact O-N 3.08Å; L92-I94 HydrophobicContact CD1-CG1 4.02Å; L92-I94 HydrophobicContact CD2-CD1 3.77Å; L92-I94 HydrophobicContact CD2-CG1 3.71Å; L92-I94 HydrophobicContact CG-CD1 4.25Å; L92-I94 HydrophobicContact CG-CG1 3.61Å; I94-K96 VanDerWaalsContact C-N 3.31Å; I94-K96 PolarHBondContact O-N 2.88Å; I94-G97 PolarHBondContact O-N 3.26Å
95D87.5Confident91Very high106 Ų10632.9 Ų32.957%0.56717%0.168SC*.THydrogen-bonded Turntrans-64.5-39-176-54.2-30.5000111G39 D93G39-D95 WeakPolarHBondContact CA-OD2 3.37Å; G39-D95 PolarHBondContact N-OD1 2.79Å; D93-D95 VanDerWaalsContact C-N 3.26Å; D93-D95 PolarHBondContact O-N 3.47Å; D93-D95 PolarHBondContact OD1-N 3.49Å
96K88.8Confident91.4Very high133 Ų13332.6 Ų32.658%0.57817%0.165SC*.THydrogen-bonded Turntrans-88.3-15.1171-64.8-169.8177.5-174.10113.6D93 I94 H98D93-K96 PolarHBondContact OD1-N 3.34Å; I94-K96 VanDerWaalsContact C-N 3.31Å; I94-K96 PolarHBondContact O-N 2.88Å; K96-H98 PolarHBondContact O-CD2 2.97Å
97G87.8Confident91.4Very high3 Ų335.6 Ų35.63%0.03118%0.181CC..THydrogen-bonded Turntrans7335.1-173.400000112.5D93 I94 E113 I114D93-G97 CarbonylContact O-C 3.53Å; D93-G97 WeakPolarHBondContact O-CA 3.17Å; D93-G97 PolarHBondContact O-N 3.04Å; I94-G97 PolarHBondContact O-N 3.26Å; G97-E113 CarbonylContact O-C 3.55Å; G97-E113 VanDerWaalsContact O-CA 3.31Å; G97-E113 WeakPolarHBondContact O-CA 3.43Å; G97-I114 PolarHBondContact O-N 3.25Å
98H91.4Very high91.2Very high63 Ų6337 Ų3729%0.29219%0.188SC..EExtended strand (participates in β ladder)trans-112.2136.6-175.4-69.1179.1000112D93 K96 L110D93-H98 HydrophobicContact CB-CB 4.33Å; D93-H98 PolarHBondContact N-O 2.85Å; D93-H98 PolarHBondContact O-N 3.16Å; K96-H98 PolarHBondContact O-CD2 2.97Å; H98-L110 HydrophobicContact CB-CD1 3.56Å
99V90.1Very high90.9Very high11 Ų1138.6 Ų38.67%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-115.7131.3168.7-179.80000108.4L92 F101 A111 F112 I114L92-V99 HydrophobicContact CD1-CG2 3.76Å; V99-F101 HydrophobicContact CG1-CE2 3.84Å; V99-F101 HydrophobicContact CG1-CZ 3.81Å; V99-A111 WeakPolarHBondContact O-CA 3.48Å; V99-A111 VanDerWaalsContact O-CB 3.28Å; V99-A111 WeakPolarHBondContact O-CB 3.22Å; V99-A111 PolarHBondContact O-N 3.34Å; V99-F112 HydrophobicContact CB-CB 4.33Å; V99-F112 HydrophobicContact CB-CD2 4.41Å; V99-F112 HydrophobicContact CG1-CD2 4.34Å; V99-F112 PolarHBondContact N-O 3.08Å; V99-F112 PolarHBondContact O-N 3.44Å; V99-F112 VanDerWaalsContact O-N 3.14Å; V99-I114 HydrophobicContact CG2-CD1 4.31Å; V99-I114 HydrophobicContact CG2-CG1 4.2Å
100K90.8Very high90.4Very high33 Ų3342.5 Ų42.514%0.14323%0.225CC..EExtended strand (participates in β ladder)trans-137.6162.4174.469.2173.1-170166.90111.5Y91 D107 G109 D149Y91-K100 WeakPolarHBondContact CB-O 3.33Å; Y91-K100 HydrophobicContact CD1-CG 4.46Å; Y91-K100 HydrophobicContact CD2-CG 3.88Å; Y91-K100 HydrophobicContact CG-CD 4.29Å; Y91-K100 HydrophobicContact CG-CG 3.67Å; Y91-K100 PolarHBondContact N-O 3.01Å; Y91-K100 PolarHBondContact O-N 3.41Å; K100-D107 IonicContact NZ-OD2 2.73Å; K100-D107 PolarHBondContact NZ-OD2 3.04Å; K100-G109 VanDerWaalsContact CB-O 3.23Å; K100-G109 WeakPolarHBondContact CB-O 3.35Å; K100-D149 IonicContact NZ-OD2 3.53Å
101F91.8Very high89.9Confident19 Ų1943.2 Ų43.28%0.08323%0.231CC..EExtended strand (participates in β ladder)trans-130.7154.1178.2-59.1-83.9000111.4Y78 I88 G89 C90 V99 L108 A111 F112Y78-F101 HydrophobicContact CE1-CB 4.36Å; Y78-F101 AromaticContact CE1-CD2 3.77Å; Y78-F101 HydrophobicContact CE1-CD2 3.77Å; Y78-F101 PolarHBondContact OH-N 2.74Å; I88-F101 HydrophobicContact CG2-CD1 4.18Å; G89-F101 CarbonylContact O-C 3.49Å; G89-F101 VanDerWaalsContact O-CA 3.23Å; G89-F101 WeakPolarHBondContact O-CA 3.46Å; C90-F101 HydrophobicContact CB-CD1 4.31Å; C90-F101 HydrophobicContact CB-CE1 4.26Å; V99-F101 HydrophobicContact CG1-CE2 3.84Å; V99-F101 HydrophobicContact CG1-CZ 3.81Å; F101-L108 HydrophobicContact CB-CD1 4.38Å; F101-L108 WeakPolarHBondContact O-CB 3.48Å; F101-L108 PolarHBondContact O-N 3.45Å; F101-A111 HydrophobicContact CD2-CB 3.55Å; F101-A111 HydrophobicContact CE2-CB 3.6Å; F101-F112 HydrophobicContact CE2-CD2 4.31Å; F101-F112 AromaticContact CE2-CE2 4Å; F101-F112 HydrophobicContact CE2-CE2 4Å
102S92.3Very high89.1Confident1 Ų146.2 Ų46.21%0.00725%0.245CC..EExtended strand (participates in β ladder)trans-125.2147.3166.263.20000110.7I88 G89 Y91 K106I88-S102 CarbonylContact C-O 3.55Å; I88-S102 WeakPolarHBondContact CA-O 3.38Å; G89-S102 WeakPolarHBondContact CA-OG 3.48Å; G89-S102 PolarHBondContact N-O 3.03Å; G89-S102 PolarHBondContact O-N 3.45Å; Y91-S102 WeakPolarHBondContact CE2-OG 3.31Å; S102-K106 CarbonylContact C-O 3.54Å; S102-K106 WeakPolarHBondContact CA-O 3.21Å; S102-K106 VanDerWaalsContact CB-O 3.25Å; S102-K106 WeakPolarHBondContact CB-O 3.23Å
103K92.1Very high88.7Confident31 Ų3152.5 Ų52.514%0.13527%0.274CS..EExtended strand (participates in β ladder)trans-110.9118.7170.9-176.9-177.7-178.9-179.80108.9E81 F82 D86 G105 K106 L108E81-K103 PolarHBondContact O-NZ 2.94Å; F82-K103 HydrophobicContact CD1-CD 4.12Å; F82-K103 HydrophobicContact CD1-CG 4.17Å; F82-K103 HydrophobicContact CE1-CB 4.26Å; F82-K103 HydrophobicContact CE1-CD 4.44Å; F82-K103 HydrophobicContact CE1-CG 4.34Å; D86-K103 WeakPolarHBondContact OD1-CE 3.45Å; D86-K103 WeakPolarHBondContact OD2-CE 3.49Å; D86-K103 IonicContact OD2-NZ 2.76Å; D86-K103 PolarHBondContact OD2-NZ 3.06Å; K103-G105 PolarHBondContact O-N 3.41Å; K103-K106 PolarHBondContact N-O 3.36Å; K103-K106 VanDerWaalsContact O-CB 3.31Å; K103-K106 WeakPolarHBondContact O-CB 3.18Å; K103-K106 PolarHBondContact O-N 2.89Å; K103-L108 HydrophobicContact CB-CD1 4.22Å; K103-L108 HydrophobicContact CB-CD2 4.38Å
104N92.8Very high88.2Confident62 Ų6253 Ų5333%0.33228%0.276SS..THydrogen-bonded Turntrans49.242.5-177.9-57.6-33.4000113D86 T87 K106 F145D86-N104 WeakPolarHBondContact CA-OD1 3.33Å; D86-N104 PolarHBondContact OD1-ND2 3.38Å; T87-N104 PolarHBondContact N-OD1 2.87Å; T87-N104 PolarHBondContact O-N 3.04Å; N104-K106 VanDerWaalsContact C-N 3.27Å; N104-K106 PolarHBondContact O-N 3.4Å; N104-F145 VanDerWaalsContact C-CE1 3.47Å; N104-F145 VanDerWaalsContact CA-CE2 3.45Å; N104-F145 HydrophobicContact CB-CE1 4.47Å; N104-F145 HydrophobicContact CB-CE2 4.07Å; N104-F145 HydrophobicContact CB-CZ 3.83Å; N104-F145 VanDerWaalsContact O-CE1 3.29Å; N104-F145 WeakPolarHBondContact O-CE1 3.37Å
105G89.8Confident87.8Confident36 Ų3652.7 Ų52.737%0.37128%0.276SS..THydrogen-bonded Turntrans79-8.6-177.800000116.2K103 D107K103-G105 PolarHBondContact O-N 3.41Å; G105-D107 PolarHBondContact O-N 3.36Å
106K90.9Very high87.3Confident122 Ų12252.8 Ų52.853%0.5328%0.282SS..EExtended strand (participates in β ladder)trans-79.7114.7172.7-175.4-174.2173.5-167.30109.6E80 S102 K103 N104 L108E80-K106 IonicContact OE1-NZ 3.37Å; E80-K106 PolarHBondContact OE1-NZ 2.92Å; S102-K106 CarbonylContact C-O 3.54Å; S102-K106 WeakPolarHBondContact CA-O 3.21Å; S102-K106 VanDerWaalsContact CB-O 3.25Å; S102-K106 WeakPolarHBondContact CB-O 3.23Å; K103-K106 PolarHBondContact N-O 3.36Å; K103-K106 VanDerWaalsContact O-CB 3.31Å; K103-K106 WeakPolarHBondContact O-CB 3.18Å; K103-K106 PolarHBondContact O-N 2.89Å; N104-K106 VanDerWaalsContact C-N 3.27Å; N104-K106 PolarHBondContact O-N 3.4Å; K106-L108 PolarHBondContact O-N 3.04Å
107D89.9Confident86.9Confident77 Ų7753.3 Ų53.341%0.41229%0.286SS..EExtended strand (participates in β ladder)trans-63.4129.8176.3-163.5-23.3000110K100 G105 G109K100-D107 IonicContact NZ-OD2 2.73Å; K100-D107 PolarHBondContact NZ-OD2 3.04Å; G105-D107 PolarHBondContact O-N 3.36Å; D107-G109 PolarHBondContact OD1-N 3.08Å
108L87.3Confident86.3Confident31 Ų3155 Ų5516%0.16229%0.294CS..EExtended strand (participates in β ladder)trans-95.44.5179.6-58.2177.7000112.4Y78 F82 F101 K103 K106Y78-L108 HydrophobicContact CE1-CB 4.18Å; Y78-L108 WeakPolarHBondContact CE2-O 3.48Å; Y78-L108 WeakPolarHBondContact OH-CB 3.5Å; Y78-L108 PolarHBondContact OH-O 2.85Å; F82-L108 HydrophobicContact CE1-CD1 4.4Å; F101-L108 HydrophobicContact CB-CD1 4.38Å; F101-L108 WeakPolarHBondContact O-CB 3.48Å; F101-L108 PolarHBondContact O-N 3.45Å; K103-L108 HydrophobicContact CB-CD1 4.22Å; K103-L108 HydrophobicContact CB-CD2 4.38Å; K106-L108 PolarHBondContact O-N 3.04Å
109G86.9Confident85.4Confident34 Ų3457.1 Ų57.135%0.35130%0.303SS..EExtended strand (participates in β ladder)trans85.2-171.1179.300000113Y78 K100 D107 A111Y78-G109 PolarHBondContact OH-O 3.31Å; K100-G109 VanDerWaalsContact CB-O 3.23Å; K100-G109 WeakPolarHBondContact CB-O 3.35Å; D107-G109 PolarHBondContact OD1-N 3.08Å; G109-A111 PolarHBondContact O-N 2.88Å
110L85.6Confident84.8Confident83 Ų8363.5 Ų63.544%0.43534%0.336SS..EExtended strand (participates in β ladder)trans-69.9123179.1-176.667.2000110.5Y78 H98 E113Y78-L110 VanDerWaalsContact CE2-C 3.49Å; Y78-L110 WeakPolarHBondContact CE2-O 3.2Å; H98-L110 HydrophobicContact CB-CD1 3.56Å; L110-E113 HydrophobicContact CD2-CG 4.01Å
111A82.1Confident84.6Confident16 Ų1664.7 Ų64.713%0.13234%0.342CS..EExtended strand (participates in β ladder)trans-87.2-50.7179.100000111.8Y78 V99 F101 G109Y78-A111 HydrophobicContact CD1-CB 4Å; Y78-A111 HydrophobicContact CD2-CB 4.25Å; Y78-A111 HydrophobicContact CE1-CB 3.52Å; Y78-A111 HydrophobicContact CE2-CB 3.8Å; Y78-A111 HydrophobicContact CG-CB 4.34Å; V99-A111 WeakPolarHBondContact O-CA 3.48Å; V99-A111 VanDerWaalsContact O-CB 3.28Å; V99-A111 WeakPolarHBondContact O-CB 3.22Å; V99-A111 PolarHBondContact O-N 3.34Å; F101-A111 HydrophobicContact CD2-CB 3.55Å; F101-A111 HydrophobicContact CE2-CB 3.6Å; G109-A111 PolarHBondContact O-N 2.88Å
112F78.6Confident84.5Confident77 Ų7764.5 Ų64.534%0.33834%0.344SS..EExtended strand (participates in β ladder)trans-148.9146.4-174.9-51.1-76.7000111.3V99 F101V99-F112 HydrophobicContact CB-CB 4.33Å; V99-F112 HydrophobicContact CB-CD2 4.41Å; V99-F112 HydrophobicContact CG1-CD2 4.34Å; V99-F112 PolarHBondContact N-O 3.08Å; V99-F112 PolarHBondContact O-N 3.44Å; V99-F112 VanDerWaalsContact O-N 3.14Å; F101-F112 HydrophobicContact CE2-CD2 4.31Å; F101-F112 AromaticContact CE2-CE2 4Å; F101-F112 HydrophobicContact CE2-CE2 4Å
113E85Confident84.4Confident131 Ų13165 Ų6561%0.61235%0.347SS*.EExtended strand (participates in β ladder)trans-96.1133.3161.9-65.5-17417800109.5G97 L110 P115G97-E113 CarbonylContact O-C 3.55Å; G97-E113 VanDerWaalsContact O-CA 3.31Å; G97-E113 WeakPolarHBondContact O-CA 3.43Å; L110-E113 HydrophobicContact CD2-CG 4.01Å; E113-P115 WeakPolarHBondContact O-CD 3.48Å
114I83.4Confident84.5Confident20 Ų2063.5 Ų63.510%0.10334%0.34CS..PPolyproline II helixtrans-72.8119.4179-62.5171.5000107.8L92 G97 V99 M118 K119 L123L92-I114 HydrophobicContact CD1-CD1 3.72Å; G97-I114 PolarHBondContact O-N 3.25Å; V99-I114 HydrophobicContact CG2-CD1 4.31Å; V99-I114 HydrophobicContact CG2-CG1 4.2Å; I114-M118 HydrophobicContact CG2-CB 3.87Å; I114-K119 HydrophobicContact CG2-CG 4.47Å; I114-L123 HydrophobicContact CD1-CD1 3.47Å; I114-L123 VanDerWaalsContact CD1-CD1 3.47Å; I114-L123 HydrophobicContact CG1-CD1 4.21Å
115P78.9Confident84.5Confident18 Ų1860.6 Ų60.612%0.11732%0.324CS..PPolyproline II helixtrans-57.6149.2-178.6-27.835.6000112.6H71 E113 H117 M118 K119H71-P115 WeakPolarHBondContact CE1-CG 3.36Å; H71-P115 WeakPolarHBondContact NE2-CG 3.32Å; E113-P115 WeakPolarHBondContact O-CD 3.48Å; P115-H117 WeakPolarHBondContact CB-CE1 3.4Å; P115-H117 WeakPolarHBondContact CB-ND1 3.29Å; P115-H117 PolarHBondContact O-N 3.2Å; P115-H117 VanDerWaalsContact O-N 3.08Å; P115-M118 HydrophobicContact CG-SD 4.05Å; P115-M118 PolarHBondContact O-N 3.17Å; P115-K119 PolarHBondContact O-N 3.28Å
116P77.9Confident84.7Confident108 Ų10859.4 Ų59.470%0.70131%0.311SS*.G310 helixtrans-52.1-36.9179.8-28.334.9000114.2M118 K119P116-M118 VanDerWaalsContact C-N 3.27Å; P116-M118 PolarHBondContact O-N 3.02Å; P116-K119 PolarHBondContact O-N 2.94Å
117H78.6Confident84.7Confident143 Ų14353.9 Ų53.966%0.66229%0.288SS*.G310 helixtrans-72.3-16.2179.968.7-88.5000114.1P115P115-H117 WeakPolarHBondContact CB-CE1 3.4Å; P115-H117 WeakPolarHBondContact CB-ND1 3.29Å; P115-H117 PolarHBondContact O-N 3.2Å; P115-H117 VanDerWaalsContact O-N 3.08Å
118M75.4Confident84.7Confident38 Ų3851.1 Ų51.119%0.18727%0.274CS..G310 helixtrans-100.2-7.3178.3-65178.773.300113.1T59 I114 P115 P116 N120 Q121T59-M118 HydrophobicContact CG2-CE 3.3Å; I114-M118 HydrophobicContact CG2-CB 3.87Å; P115-M118 HydrophobicContact CG-SD 4.05Å; P115-M118 PolarHBondContact O-N 3.17Å; P116-M118 VanDerWaalsContact C-N 3.27Å; P116-M118 PolarHBondContact O-N 3.02Å; M118-N120 PolarHBondContact O-N 3.16Å; M118-Q121 PolarHBondContact O-N 3.38Å
119K72.5Confident84.5Confident109 Ų10949.7 Ų49.747%0.47427%0.266SS..THydrogen-bonded Turntrans-59.5-22.6-176.8-72.3-171.7176.7-171.20114.2I114 P115 P116I114-K119 HydrophobicContact CG2-CG 4.47Å; P115-K119 PolarHBondContact O-N 3.28Å; P116-K119 PolarHBondContact O-N 2.94Å
120N78.9Confident84.4Confident145 Ų14550.4 Ų50.478%0.77526%0.26SS*.THydrogen-bonded Turntrans-101.611.7177.7-64.6-24.3000113.4M37 M118M37-N120 WeakPolarHBondContact CE-O 3.41Å; M118-N120 PolarHBondContact O-N 3.16Å
121Q85.8Confident84.1Confident58 Ų5849.2 Ų49.227%0.27125%0.254SS..SBendtrans-106.3143.5177.1-61.7-16811.800111.1T59 M118T59-Q121 HydrophobicContact CG2-CB 4.16Å; M118-Q121 PolarHBondContact O-N 3.38Å
122A89.2Confident84.1Confident14 Ų1448.6 Ų48.612%0.11625%0.248CC..  trans-73.1134.4176.800000110.5L36 M37 F124 V163L36-A122 WeakPolarHBondContact O-CA 3.47Å; M37-A122 HydrophobicContact CG-CB 3.92Å; M37-A122 WeakPolarHBondContact SD-CA 3.46Å; M37-A122 HydrophobicContact SD-CB 3.76Å; M37-A122 PolarHBondContact SD-N 3.05Å; A122-F124 HydrophobicContact CB-CE2 3.7Å; A122-F124 HydrophobicContact CB-CZ 4.19Å; A122-V163 HydrophobicContact CB-CB 3.69Å; A122-V163 HydrophobicContact CB-CG1 3.99Å; A122-V163 HydrophobicContact CB-CG2 3.91Å
123L91.1Very high84.4Confident12 Ų1246.9 Ų46.96%0.06324%0.242CC..BIsolated β-bridgetrans-104.7123.1176.3-75.2172.5000110.4G35 L36 W57 T59 L92 I114G35-L123 CarbonylContact C-O 3.51Å; G35-L123 WeakPolarHBondContact CA-O 3.24Å; L36-L123 PolarHBondContact N-O 2.92Å; L36-L123 PolarHBondContact O-N 2.97Å; W57-L123 HydrophobicContact CB-CB 4.28Å; W57-L123 HydrophobicContact CB-CD2 4.36Å; W57-L123 HydrophobicContact CE3-CB 4.42Å; T59-L123 HydrophobicContact CG2-CD2 3.67Å; L92-L123 HydrophobicContact CD1-CD1 3.75Å; L92-L123 HydrophobicContact CD2-CB 4Å; L92-L123 HydrophobicContact CD2-CD1 4.26Å; I114-L123 HydrophobicContact CD1-CD1 3.47Å; I114-L123 VanDerWaalsContact CD1-CD1 3.47Å; I114-L123 HydrophobicContact CG1-CD1 4.21Å
124F93.1Very high84.5Confident0 Ų040.7 Ų40.70%021%0.213CC..EExtended strand (participates in β ladder)trans-103.1137.4-177.8-65.1-101.5000109.6R31 A32 K34 G35 W57 S58 M60 A122 A126 V163R31-F124 HydrophobicContact CB-CB 4.33Å; R31-F124 HydrophobicContact CG-CB 4.45Å; A32-F124 WeakPolarHBondContact O-CD1 3.46Å; K34-F124 VanDerWaalsContact C-CD1 3.44Å; G35-F124 VanDerWaalsContact CA-CD1 3.47Å; G35-F124 VanDerWaalsContact N-CD1 3.25Å; W57-F124 CarbonylContact C-O 3.5Å; W57-F124 WeakPolarHBondContact CA-O 3.46Å; S58-F124 PolarHBondContact N-O 2.82Å; S58-F124 PolarHBondContact O-N 3.07Å; M60-F124 HydrophobicContact CG-CD2 4.02Å; M60-F124 HydrophobicContact CG-CE2 3.44Å; M60-F124 VanDerWaalsContact CG-CE2 3.44Å; M60-F124 HydrophobicContact CG-CZ 3.92Å; M60-F124 HydrophobicContact SD-CE2 4.03Å; M60-F124 HydrophobicContact SD-CZ 3.93Å; A122-F124 HydrophobicContact CB-CE2 3.7Å; A122-F124 HydrophobicContact CB-CZ 4.19Å; F124-A126 PolarHBondContact O-N 2.78Å; F124-V163 HydrophobicContact CZ-CG1 4.34Å
125P94.4Very high84.9Confident0 Ų042.2 Ų42.20%022%0.219CC..EExtended strand (participates in β ladder)trans-52133.7163.2-2431.5000110.2R31 A32 K34 Y43 G56 W57 F138 L154R31-P125 CarbonylContact C-O 3.25Å; R31-P125 WeakPolarHBondContact CA-O 3.49Å; A32-P125 HydrophobicContact CB-CB 3.91Å; A32-P125 HydrophobicContact CB-CG 4.04Å; A32-P125 PolarHBondContact N-O 2.63Å; K34-P125 WeakPolarHBondContact O-CD 3.5Å; Y43-P125 HydrophobicContact CD1-CB 4.29Å; Y43-P125 HydrophobicContact CD1-CG 4.21Å; Y43-P125 HydrophobicContact CE1-CB 3.75Å; Y43-P125 HydrophobicContact CE1-CG 4.01Å; Y43-P125 HydrophobicContact CE2-CB 4.4Å; G56-P125 WeakPolarHBondContact O-CA 3.44Å; W57-P125 HydrophobicContact CE3-CG 4.13Å; W57-P125 HydrophobicContact CH2-CG 4.28Å; W57-P125 HydrophobicContact CZ3-CG 3.66Å; P125-F138 HydrophobicContact CB-CE1 3.61Å; P125-F138 HydrophobicContact CB-CZ 4.15Å; P125-F138 HydrophobicContact CG-CD1 4.38Å; P125-F138 HydrophobicContact CG-CE1 3.72Å; P125-L154 HydrophobicContact CG-CD1 3.33Å
126A92.8Very high85.6Confident11 Ų1141.3 Ų41.39%0.09121%0.213CC..EExtended strand (participates in β ladder)trans-147.5152.9-173.400000111.2C30 R31 V55 G56 F124C30-A126 WeakPolarHBondContact O-CA 3.46Å; R31-A126 HydrophobicContact CG-CB 3.95Å; V55-A126 WeakPolarHBondContact CA-O 3.44Å; G56-A126 PolarHBondContact N-O 3.33Å; G56-A126 PolarHBondContact O-N 3.15Å; F124-A126 PolarHBondContact O-N 2.78Å
127C91.4Very high86.4Confident6 Ų636.9 Ų36.94%0.04118%0.183CC..EExtended strand (participates in β ladder)trans-142.3162165.359.70000112.5F10 G29 C30 R54 V55 L134 F136F10-C127 VanDerWaalsContact CZ-SG 3.51Å; G29-C127 CarbonylContact C-O 3.55Å; G29-C127 WeakPolarHBondContact CA-O 3.31Å; C30-C127 PolarHBondContact N-O 3.27Å; C30-C127 PolarHBondContact O-N 3.01Å; R54-C127 CarbonylContact O-C 3.58Å; R54-C127 WeakPolarHBondContact O-CA 3.45Å; R54-C127 WeakPolarHBondContact O-CB 3.35Å; V55-C127 HydrophobicContact CG1-CB 4.11Å; C127-L134 HydrophobicContact CB-CD1 4.13Å; C127-F136 HydrophobicContact CB-CE2 4.34Å; C127-F136 HydrophobicContact CB-CZ 3.76Å; C127-F136 VanDerWaalsContact SG-CZ 3.53Å
128V89.1Confident87.1Confident20 Ų2031.2 Ų31.212%0.12116%0.157CC..EExtended strand (participates in β ladder)trans-130.8135.3167.6-79.80000108.7W27 H28 C53 R54 L64W27-V128 HydrophobicContact CE3-CB 3.92Å; W27-V128 HydrophobicContact CE3-CG2 4.07Å; W27-V128 HydrophobicContact CZ3-CB 4.47Å; W27-V128 HydrophobicContact CZ3-CG2 4.26Å; H28-V128 CarbonylContact O-C 3.58Å; H28-V128 WeakPolarHBondContact O-CA 3.4Å; C53-V128 CarbonylContact C-O 3.56Å; C53-V128 WeakPolarHBondContact CA-O 3.16Å; R54-V128 HydrophobicContact CB-CG2 3.7Å; R54-V128 HydrophobicContact CG-CG2 4.06Å; R54-V128 PolarHBondContact N-O 3.01Å; R54-V128 PolarHBondContact O-N 3.06Å; L64-V128 WeakPolarHBondContact O-CG1 3.47Å
129L84.5Confident87.8Confident0 Ų030 Ų300%015%0.154CC..EExtended strand (participates in β ladder)trans-128.1142.5-171.5-59.1180000110.6F10 C19 S21 H28 C53 A132 L134F10-L129 HydrophobicContact CD2-CD1 4.46Å; F10-L129 HydrophobicContact CE2-CB 4.01Å; F10-L129 HydrophobicContact CE2-CD1 3.56Å; F10-L129 HydrophobicContact CE2-CG 3.62Å; F10-L129 HydrophobicContact CZ-CD1 3.59Å; F10-L129 HydrophobicContact CZ-CG 4.05Å; C19-L129 HydrophobicContact CB-CD1 4.09Å; C19-L129 WeakPolarHBondContact O-CD1 3.47Å; S21-L129 VanDerWaalsContact CB-CB 3.47Å; S21-L129 WeakPolarHBondContact CB-O 3.42Å; S21-L129 PolarHBondContact OG-O 3.08Å; H28-L129 PolarHBondContact N-O 3.15Å; H28-L129 VanDerWaalsContact N-O 3.11Å; H28-L129 PolarHBondContact O-N 3.45Å; C53-L129 HydrophobicContact CB-CD2 3.54Å; L129-A132 HydrophobicContact CB-CB 4.46Å; L129-A132 HydrophobicContact CD2-CB 4.12Å; L129-L134 HydrophobicContact CD2-CD1 3.5Å; L129-L134 HydrophobicContact CD2-CG 3.63Å
130K83.7Confident88.4Confident50 Ų5032.3 Ų32.322%0.21717%0.167CC..EExtended strand (participates in β ladder)trans-141.4107.6173.6177.4172.6179.9168.80108.2E23 V24 K25 W27 L52 A132E23-K130 CarbonylContact O-C 3.57Å; V24-K130 VanDerWaalsContact C-CE 3.44Å; V24-K130 WeakPolarHBondContact O-CE 3.39Å; V24-K130 PolarHBondContact O-NZ 2.81Å; K25-K130 WeakPolarHBondContact O-CE 3.38Å; K25-K130 PolarHBondContact O-NZ 2.86Å; W27-K130 HydrophobicContact CD2-CB 3.86Å; W27-K130 HydrophobicContact CD2-CD 4.33Å; W27-K130 HydrophobicContact CE3-CB 3.78Å; W27-K130 HydrophobicContact CG-CB 4.48Å; W27-K130 HydrophobicContact CH2-CB 4.29Å; W27-K130 HydrophobicContact CZ2-CB 4.29Å; W27-K130 HydrophobicContact CZ2-CD 4.3Å; W27-K130 HydrophobicContact CZ3-CB 4.02Å; L52-K130 HydrophobicContact CB-CB 4.25Å; L52-K130 HydrophobicContact CD1-CD 4.43Å; L52-K130 PolarHBondContact N-O 3.34Å; L52-K130 PolarHBondContact O-N 3.43Å; K130-A132 VanDerWaalsContact C-N 3.29Å; K130-A132 PolarHBondContact O-N 2.95Å
131N79.3Confident88.8Confident57 Ų5730.2 Ų30.231%0.30515%0.152SC..SBendtrans46.945.9-169.5-166.344.4000113.9S21 E23 V24 G51S21-N131 CarbonylContact O-C 3.55Å; S21-N131 VanDerWaalsContact O-C 3.27Å; S21-N131 WeakPolarHBondContact O-CA 3.29Å; S21-N131 PolarHBondContact O-N 3.25Å; E23-N131 PolarHBondContact O-N 3.39Å; V24-N131 HydrophobicContact CG2-CB 4.39Å; G51-N131 WeakPolarHBondContact CA-O 3.39Å
132A82.1Confident89Confident3 Ų336.2 Ų36.23%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-139159.5-172.900000112.3Q20 S21 C53 L129 K130Q20-A132 WeakPolarHBondContact CA-O 3.44Å; S21-A132 PolarHBondContact N-O 3Å; S21-A132 PolarHBondContact O-N 2.97Å; C53-A132 HydrophobicContact CB-CB 4.22Å; L129-A132 HydrophobicContact CB-CB 4.46Å; L129-A132 HydrophobicContact CD2-CB 4.12Å; K130-A132 VanDerWaalsContact C-N 3.29Å; K130-A132 PolarHBondContact O-N 2.95Å
133E84.8Confident89.2Confident41 Ų4136.9 Ų36.919%0.19218%0.18CC..EExtended strand (participates in β ladder)trans-133.1136.4174.8-177174.4122.700111.4C19 Q20 R22 H48 D49C19-E133 CarbonylContact O-C 3.58Å; C19-E133 WeakPolarHBondContact O-CA 3.18Å; Q20-E133 HydrophobicContact CB-CB 4.04Å; Q20-E133 HydrophobicContact CB-CG 4.02Å; R22-E133 IonicContact NH2-OE2 3.35Å; R22-E133 PolarHBondContact NH2-OE2 3.05Å; H48-E133 HydrophobicContact CB-CB 4.48Å; H48-E133 HydrophobicContact CB-CG 4.25Å; H48-E133 PolarHBondContact N-O 3.33Å; H48-E133 IonicContact ND1-OE1 3.33Å; D49-E133 HydrophobicContact CB-CB 3.9Å
134L87.9Confident89.2Confident1 Ų142.4 Ų42.41%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-132.8144.1-179.5-62.4-176.3000110.9C18 C19 V45 S46 C47 C53 V55 C127 L129 F136C18-L134 CarbonylContact C-O 3.51Å; C19-L134 PolarHBondContact N-O 3.49Å; C19-L134 PolarHBondContact O-N 3.18Å; V45-L134 HydrophobicContact CG1-CB 3.72Å; V45-L134 HydrophobicContact CG1-CD1 3.78Å; V45-L134 HydrophobicContact CG1-CD2 4.11Å; V45-L134 HydrophobicContact CG1-CG 4.1Å; S46-L134 CarbonylContact O-C 3.56Å; S46-L134 WeakPolarHBondContact O-CA 3.42Å; C47-L134 HydrophobicContact CB-CD2 4.19Å; C47-L134 VanDerWaalsContact SG-CD2 3.54Å; C53-L134 HydrophobicContact CB-CD1 4Å; C53-L134 HydrophobicContact CB-CD2 4.12Å; C53-L134 HydrophobicContact CB-CG 4.26Å; V55-L134 HydrophobicContact CG1-CD1 3.36Å; C127-L134 HydrophobicContact CB-CD1 4.13Å; L129-L134 HydrophobicContact CD2-CD1 3.5Å; L129-L134 HydrophobicContact CD2-CG 3.63Å; L134-F136 HydrophobicContact CB-CE2 4.36Å
135K90.6Very high89.3Confident52 Ų5245 Ų4523%0.22622%0.215CC..EExtended strand (participates in β ladder)trans-111.3127.7166.9-171-175.8-179.9-157.40110.2V45 S46 E141V45-K135 CarbonylContact C-O 3.18Å; V45-K135 WeakPolarHBondContact CA-O 3.28Å; S46-K135 PolarHBondContact N-O 3.15Å; S46-K135 PolarHBondContact O-N 3.16Å; K135-E141 IonicContact NZ-OE1 2.93Å; K135-E141 PolarHBondContact NZ-OE1 2.89Å; K135-E141 IonicContact NZ-OE2 3.63Å; K135-E141 PolarHBondContact NZ-OE2 2.9Å
136F93.8Very high89.1Confident0 Ų049 Ų490%024%0.241CC..EExtended strand (participates in β ladder)trans-91.3140.7175.9-74.1-104.7000111.3M1 L17 C19 Y43 E44 V45 C127 L134 F138M1-F136 HydrophobicContact CE-CE1 4.33Å; M1-F136 HydrophobicContact CE-CE2 4.05Å; M1-F136 HydrophobicContact CE-CZ 3.86Å; M1-F136 HydrophobicContact CG-CD2 4.13Å; M1-F136 HydrophobicContact CG-CE2 4.37Å; M1-F136 HydrophobicContact CG-CG 4.39Å; M1-F136 HydrophobicContact SD-CD1 4.24Å; M1-F136 HydrophobicContact SD-CD2 4.36Å; M1-F136 HydrophobicContact SD-CE1 4.15Å; M1-F136 HydrophobicContact SD-CE2 4.28Å; M1-F136 HydrophobicContact SD-CG 4.34Å; M1-F136 HydrophobicContact SD-CZ 4.17Å; L17-F136 WeakPolarHBondContact CB-O 3.43Å; L17-F136 HydrophobicContact CD2-CB 4.38Å; L17-F136 WeakPolarHBondContact O-CD2 3.38Å; L17-F136 PolarHBondContact O-N 3.16Å; C19-F136 HydrophobicContact CB-CE2 4.23Å; Y43-F136 AromaticContact CD2-CD1 3.96Å; Y43-F136 HydrophobicContact CD2-CD1 3.96Å; Y43-F136 HydrophobicContact CD2-CE1 4.35Å; Y43-F136 AromaticContact CE2-CD1 3.73Å; Y43-F136 HydrophobicContact CE2-CD1 3.73Å; Y43-F136 AromaticContact CE2-CE1 3.64Å; Y43-F136 HydrophobicContact CE2-CE1 3.64Å; E44-F136 WeakPolarHBondContact O-CA 3.45Å; V45-F136 HydrophobicContact CG1-CD2 4.43Å; V45-F136 HydrophobicContact CG1-CE2 4.32Å; V45-F136 HydrophobicContact CG1-CZ 4.41Å; V45-F136 HydrophobicContact CG2-CD1 3.67Å; V45-F136 HydrophobicContact CG2-CE1 3.63Å; V45-F136 HydrophobicContact CG2-CG 4.27Å; V45-F136 HydrophobicContact CG2-CZ 4.19Å; C127-F136 HydrophobicContact CB-CE2 4.34Å; C127-F136 HydrophobicContact CB-CZ 3.76Å; C127-F136 VanDerWaalsContact SG-CZ 3.53Å; L134-F136 HydrophobicContact CB-CE2 4.36Å; F136-F138 HydrophobicContact CB-CE2 3.88Å; F136-F138 HydrophobicContact CB-CZ 3.9Å; F136-F138 AromaticContact CD1-CE1 3.93Å; F136-F138 HydrophobicContact CD1-CE1 3.93Å; F136-F138 HydrophobicContact CD1-CE2 4.43Å; F136-F138 AromaticContact CD1-CZ 3.6Å; F136-F138 HydrophobicContact CD1-CZ 3.6Å; F136-F138 HydrophobicContact CE1-CZ 4.44Å; F136-F138 HydrophobicContact CG-CE2 4.43Å; F136-F138 HydrophobicContact CG-CZ 4.01Å
137N94.9Very high88.8Confident14 Ų1450 Ų508%0.07525%0.247CC..EExtended strand (participates in β ladder)trans-124.1113.7164.2-179.46.2000108.6Y43 E44 G139 E141 E142 F143Y43-N137 WeakPolarHBondContact CB-O 3.39Å; E44-N137 HydrophobicContact CB-CB 4.3Å; E44-N137 PolarHBondContact N-O 3.41Å; E44-N137 PolarHBondContact O-N 3.19Å; N137-G139 VanDerWaalsContact C-N 3.34Å; N137-G139 WeakPolarHBondContact OD1-CA 3.49Å; N137-G139 PolarHBondContact OD1-N 2.68Å; N137-E141 PolarHBondContact ND2-O 2.95Å; N137-E141 PolarHBondContact OD1-N 3.16Å; N137-E141 PolarHBondContact OD1-O 3.3Å; N137-E142 PolarHBondContact ND2-O 2.86Å; N137-F143 HydrophobicContact CB-CE1 4.47Å; N137-F143 WeakPolarHBondContact O-CE1 3.42Å
138F94.6Very high88.4Confident25 Ų2557 Ų5711%0.1128%0.277CS..SBendtrans-89.1-0.8177.3-63.2-65.5000113.4M1 L17 A32 Y43 P125 F136 L154 S155M1-F138 HydrophobicContact SD-CE2 4.44Å; M1-F138 HydrophobicContact SD-CZ 3.87Å; L17-F138 HydrophobicContact CD2-CD2 3.63Å; L17-F138 HydrophobicContact CD2-CE2 3.7Å; A32-F138 HydrophobicContact CB-CZ 4.32Å; Y43-F138 HydrophobicContact CD2-CD1 4.34Å; Y43-F138 HydrophobicContact CD2-CE1 4.05Å; Y43-F138 HydrophobicContact CG-CD1 4.02Å; Y43-F138 HydrophobicContact CG-CE1 4.04Å; P125-F138 HydrophobicContact CB-CE1 3.61Å; P125-F138 HydrophobicContact CB-CZ 4.15Å; P125-F138 HydrophobicContact CG-CD1 4.38Å; P125-F138 HydrophobicContact CG-CE1 3.72Å; F136-F138 HydrophobicContact CB-CE2 3.88Å; F136-F138 HydrophobicContact CB-CZ 3.9Å; F136-F138 AromaticContact CD1-CE1 3.93Å; F136-F138 HydrophobicContact CD1-CE1 3.93Å; F136-F138 HydrophobicContact CD1-CE2 4.43Å; F136-F138 AromaticContact CD1-CZ 3.6Å; F136-F138 HydrophobicContact CD1-CZ 3.6Å; F136-F138 HydrophobicContact CE1-CZ 4.44Å; F136-F138 HydrophobicContact CG-CE2 4.43Å; F136-F138 HydrophobicContact CG-CZ 4.01Å; F138-L154 HydrophobicContact CB-CB 4.41Å; F138-L154 HydrophobicContact CB-CD2 4.2Å; F138-L154 HydrophobicContact CD1-CB 4.36Å; F138-L154 HydrophobicContact CD1-CD1 4.31Å; F138-L154 HydrophobicContact CD1-CD2 3.93Å; F138-L154 HydrophobicContact CD1-CG 4.44Å; F138-L154 HydrophobicContact CG-CD2 4.2Å; F138-L154 PolarHBondContact O-N 2.78Å; F138-S155 WeakPolarHBondContact O-CB 3.34Å; F138-S155 PolarHBondContact O-N 3.42Å; F138-S155 PolarHBondContact O-OG 2.7Å
139G89.6Confident88.1Confident13 Ų1361.7 Ų61.713%0.13430%0.301CS..SBendtrans106.822.3-179.900000115N137 S155N137-G139 VanDerWaalsContact C-N 3.34Å; N137-G139 WeakPolarHBondContact OD1-CA 3.49Å; N137-G139 PolarHBondContact OD1-N 2.68Å; G139-S155 WeakPolarHBondContact CA-OG 3.36Å; G139-S155 PolarHBondContact O-OG 3.1Å; G139-S155 VanDerWaalsContact O-OG 3.05Å
140E84.3Confident88.2Confident157 Ų15764.8 Ų64.873%0.73433%0.333SS*.SBendtrans-82.2-34.1165.5-63.1-64.215600110.8S155E140-S155 VanDerWaalsContact OE1-CB 3.29Å; E140-S155 WeakPolarHBondContact OE1-CB 3.28Å
141E87.3Confident88.6Confident100 Ų10063.4 Ų63.447%0.46733%0.327SS..SBendtrans-96.9156.4168.4-65.8176.7-178.100109.3K135 N137 F143K135-E141 IonicContact NZ-OE1 2.93Å; K135-E141 PolarHBondContact NZ-OE1 2.89Å; K135-E141 IonicContact NZ-OE2 3.63Å; K135-E141 PolarHBondContact NZ-OE2 2.9Å; N137-E141 PolarHBondContact ND2-O 2.95Å; N137-E141 PolarHBondContact OD1-N 3.16Å; N137-E141 PolarHBondContact OD1-O 3.3Å; E141-F143 PolarHBondContact O-N 3.27Å
142E89.8Confident89.2Confident185 Ų18563.9 Ų63.986%0.86433%0.331SS*.PPolyproline II helixtrans-60.6134.3173.7-168.2173.9-173.800110.7N137N137-E142 PolarHBondContact ND2-O 2.86Å
143F94.1Very high89.7Confident27 Ų2764.1 Ų64.112%0.11833%0.333CS..PPolyproline II helixtrans-71.8137.1177.8-67.5-53.1000110.5Y42 E44 N137 E141 F145 P146 A153Y42-F143 HydrophobicContact CD1-CD1 4.36Å; Y42-F143 HydrophobicContact CD1-CD2 4.01Å; Y42-F143 HydrophobicContact CD1-CE1 4.09Å; Y42-F143 AromaticContact CD1-CE2 3.7Å; Y42-F143 HydrophobicContact CD1-CE2 3.7Å; Y42-F143 HydrophobicContact CD1-CG 4.33Å; Y42-F143 AromaticContact CD1-CZ 3.75Å; Y42-F143 HydrophobicContact CD1-CZ 3.75Å; Y42-F143 HydrophobicContact CE1-CB 4.44Å; Y42-F143 AromaticContact CE1-CD1 3.89Å; Y42-F143 HydrophobicContact CE1-CD1 3.89Å; Y42-F143 AromaticContact CE1-CD2 3.94Å; Y42-F143 HydrophobicContact CE1-CD2 3.94Å; Y42-F143 HydrophobicContact CE1-CE1 4.05Å; Y42-F143 HydrophobicContact CE1-CE2 4.08Å; Y42-F143 AromaticContact CE1-CG 3.84Å; Y42-F143 HydrophobicContact CE1-CG 3.84Å; Y42-F143 HydrophobicContact CE1-CZ 4.13Å; E44-F143 HydrophobicContact CB-CD1 4.12Å; E44-F143 HydrophobicContact CB-CE1 4.49Å; E44-F143 HydrophobicContact CG-CD1 3.73Å; E44-F143 HydrophobicContact CG-CE1 4.34Å; E44-F143 HydrophobicContact CG-CG 4.42Å; E44-F143 WeakPolarHBondContact OE2-CA 3.32Å; N137-F143 HydrophobicContact CB-CE1 4.47Å; N137-F143 WeakPolarHBondContact O-CE1 3.42Å; E141-F143 PolarHBondContact O-N 3.27Å; F143-F145 PolarHBondContact O-N 2.66Å; F143-P146 HydrophobicContact CB-CG 4.39Å; F143-A153 HydrophobicContact CE2-CB 3.78Å; F143-A153 HydrophobicContact CZ-CB 3.86Å
144K92.1Very high90Very high128 Ų12862.8 Ų62.856%0.55733%0.328SS*.SBendtrans-66.4-33.6174.3-169.7176.6176.9-177.40111E44E44-K144 PolarHBondContact OE1-N 2.91Å; E44-K144 PolarHBondContact OE2-N 2.85Å
145F93.9Very high90.1Very high55 Ų5564.3 Ų64.324%0.24134%0.339CS..SBendtrans-131.785.5176.6-56.8-75.6000109.7Y42 E44 T87 N104 F143Y42-F145 PolarHBondContact OH-O 2.88Å; E44-F145 VanDerWaalsContact OE1-C 3.3Å; E44-F145 VanDerWaalsContact OE1-CA 3.28Å; E44-F145 WeakPolarHBondContact OE1-CA 3.41Å; E44-F145 WeakPolarHBondContact OE1-CB 3.5Å; E44-F145 PolarHBondContact OE1-N 3.12Å; T87-F145 HydrophobicContact CG2-CD2 4.05Å; T87-F145 HydrophobicContact CG2-CE2 4.36Å; N104-F145 VanDerWaalsContact C-CE1 3.47Å; N104-F145 VanDerWaalsContact CA-CE2 3.45Å; N104-F145 HydrophobicContact CB-CE1 4.47Å; N104-F145 HydrophobicContact CB-CE2 4.07Å; N104-F145 HydrophobicContact CB-CZ 3.83Å; N104-F145 VanDerWaalsContact O-CE1 3.29Å; N104-F145 WeakPolarHBondContact O-CE1 3.37Å; F143-F145 PolarHBondContact O-N 2.66Å
146P90.2Very high90Very high83 Ų8369.3 Ų69.354%0.53936%0.36SS..  trans-57.1143.5-176.9-25.134000113F143F143-P146 HydrophobicContact CB-CG 4.39Å
147P87.2Confident89.8Confident32 Ų3269.7 Ų69.721%0.20836%0.364CS..  trans-72.4146.4-177.231.4-35.9000112Y42 Y91 F151Y42-P147 HydrophobicContact CD1-CB 3.73Å; Y42-P147 HydrophobicContact CD1-CG 3.54Å; Y42-P147 HydrophobicContact CD2-CB 3.9Å; Y42-P147 HydrophobicContact CE1-CB 4.19Å; Y42-P147 HydrophobicContact CE1-CG 4.15Å; Y42-P147 HydrophobicContact CE2-CB 4.34Å; Y42-P147 HydrophobicContact CG-CB 3.54Å; Y42-P147 HydrophobicContact CG-CG 3.78Å; Y91-P147 HydrophobicContact CE1-CB 3.82Å; P147-F151 HydrophobicContact CB-CB 3.82Å; P147-F151 HydrophobicContact CG-CB 4.36Å
148K83.1Confident89.6Confident155 Ų15572.4 Ų72.467%0.67438%0.382SS*.  trans-98.9179.3174.5-61.6179.3-177.2175.60110.7G150 F151K148-G150 VanDerWaalsContact C-N 3.35Å; K148-G150 PolarHBondContact O-N 2.83Å; K148-F151 VanDerWaalsContact O-CD2 3.29Å; K148-F151 WeakPolarHBondContact O-CD2 3.37Å; K148-F151 PolarHBondContact O-N 2.66Å
149D83.4Confident89.1Confident117 Ų11778 Ų7863%0.62641%0.413SS*.THydrogen-bonded Turntrans61.831.3168.7-47.5-39.1000116.4K100 F151K100-D149 IonicContact NZ-OD2 3.53Å; D149-F151 VanDerWaalsContact C-N 3.3Å; D149-F151 HydrophobicContact CB-CD2 4.28Å; D149-F151 HydrophobicContact CB-CE2 4.43Å; D149-F151 PolarHBondContact O-N 2.91Å
150G86.4Confident89Confident65 Ų6580.9 Ų80.967%0.6744%0.443SS*.THydrogen-bonded Turntrans75.914.2174.300000114.9K148K148-G150 VanDerWaalsContact C-N 3.35Å; K148-G150 PolarHBondContact O-N 2.83Å
151F91.9Very high89.2Confident22 Ų2277.6 Ų77.610%0.09642%0.424CS..  trans-71.5136.1169.7-78.9-99.6000110.7K40 H41 Y91 D93 P147 K148 D149K40-F151 HydrophobicContact CB-CD1 3.86Å; K40-F151 HydrophobicContact CB-CE1 4.05Å; K40-F151 HydrophobicContact CB-CG 4.12Å; K40-F151 HydrophobicContact CD-CE2 4.47Å; H41-F151 WeakPolarHBondContact O-CD1 3.47Å; Y91-F151 HydrophobicContact CD1-CB 4.46Å; Y91-F151 AromaticContact CD1-CD1 3.81Å; Y91-F151 HydrophobicContact CD1-CD1 3.81Å; Y91-F151 HydrophobicContact CD1-CD2 4.09Å; Y91-F151 AromaticContact CD1-CE1 3.97Å; Y91-F151 HydrophobicContact CD1-CE1 3.97Å; Y91-F151 HydrophobicContact CD1-CE2 4.22Å; Y91-F151 AromaticContact CD1-CG 3.87Å; Y91-F151 HydrophobicContact CD1-CG 3.87Å; Y91-F151 HydrophobicContact CD1-CZ 4.16Å; Y91-F151 HydrophobicContact CE1-CG 4.49Å; Y91-F151 HydrophobicContact CG-CE1 4.38Å; D93-F151 HydrophobicContact CB-CE1 4.2Å; D93-F151 HydrophobicContact CB-CZ 3.95Å; P147-F151 HydrophobicContact CB-CB 3.82Å; P147-F151 HydrophobicContact CG-CB 4.36Å; K148-F151 VanDerWaalsContact O-CD2 3.29Å; K148-F151 WeakPolarHBondContact O-CD2 3.37Å; K148-F151 PolarHBondContact O-N 2.66Å; D149-F151 VanDerWaalsContact C-N 3.3Å; D149-F151 HydrophobicContact CB-CD2 4.28Å; D149-F151 HydrophobicContact CB-CE2 4.43Å; D149-F151 PolarHBondContact O-N 2.91Å
152V92.1Very high89.3Confident66 Ų6674.3 Ų74.340%0.441%0.41SS..EExtended strand (participates in β ladder)trans-108.8154.5178.8-65.10000111.6K40 H41 Y42 L154K40-V152 WeakPolarHBondContact O-CG2 3.11Å; K40-V152 PolarHBondContact O-N 2.91Å; H41-V152 CarbonylContact C-O 3.4Å; H41-V152 VanDerWaalsContact CA-O 3.24Å; H41-V152 WeakPolarHBondContact CA-O 3.31Å; Y42-V152 PolarHBondContact N-O 3.24Å; V152-L154 PolarHBondContact O-N 3.45Å
153A92.5Very high89.3Confident8 Ų868 Ų687%0.06638%0.383CS..EExtended strand (participates in β ladder)trans-53.9138.5171.800000111.2F143 S155 K156 A157F143-A153 HydrophobicContact CE2-CB 3.78Å; F143-A153 HydrophobicContact CZ-CB 3.86Å; A153-S155 PolarHBondContact O-N 3.13Å; A153-K156 HydrophobicContact CB-CB 4.29Å; A153-K156 HydrophobicContact CB-CD 4.2Å; A153-K156 HydrophobicContact CB-CG 4.07Å; A153-K156 PolarHBondContact O-N 2.89Å; A153-A157 PolarHBondContact O-N 2.81Å
154L90.5Very high88.9Confident14 Ų1474.6 Ų74.67%0.07341%0.412CS..G310 helixtrans-59.6-35.5176-175.7146.2000112.5L36 Y42 Y43 W57 P125 F138 V152 K156 A157L36-L154 HydrophobicContact CD1-CD1 3.93Å; L36-L154 HydrophobicContact CD1-CG 4.33Å; L36-L154 HydrophobicContact CG-CD1 4.41Å; Y42-L154 PolarHBondContact O-N 2.87Å; Y43-L154 HydrophobicContact CD1-CD1 4.48Å; W57-L154 HydrophobicContact CH2-CD1 3.7Å; W57-L154 HydrophobicContact CZ3-CD1 3.78Å; P125-L154 HydrophobicContact CG-CD1 3.33Å; F138-L154 HydrophobicContact CB-CB 4.41Å; F138-L154 HydrophobicContact CB-CD2 4.2Å; F138-L154 HydrophobicContact CD1-CB 4.36Å; F138-L154 HydrophobicContact CD1-CD1 4.31Å; F138-L154 HydrophobicContact CD1-CD2 3.93Å; F138-L154 HydrophobicContact CD1-CG 4.44Å; F138-L154 HydrophobicContact CG-CD2 4.2Å; F138-L154 PolarHBondContact O-N 2.78Å; V152-L154 PolarHBondContact O-N 3.45Å; L154-K156 PolarHBondContact O-N 3.12Å; L154-A157 VanDerWaalsContact O-CB 3.28Å; L154-A157 WeakPolarHBondContact O-CB 3.21Å; L154-A157 PolarHBondContact O-N 3.18Å
155S89Confident88.4Confident33 Ų3368.9 Ų68.923%0.23139%0.388CS..G310 helixtrans-60.3-26.8174.957.40000113.2F138 G139 E140 A153F138-S155 WeakPolarHBondContact O-CB 3.34Å; F138-S155 PolarHBondContact O-N 3.42Å; F138-S155 PolarHBondContact O-OG 2.7Å; G139-S155 WeakPolarHBondContact CA-OG 3.36Å; G139-S155 PolarHBondContact O-OG 3.1Å; G139-S155 VanDerWaalsContact O-OG 3.05Å; E140-S155 VanDerWaalsContact OE1-CB 3.29Å; E140-S155 WeakPolarHBondContact OE1-CB 3.28Å; A153-S155 PolarHBondContact O-N 3.13Å
156K90.3Very high87.7Confident156 Ų15673.9 Ų73.968%0.67841%0.412SS*.G310 helixtrans-968.3-179.3-60.4-177.1-178.6177.90113.4A153 L154A153-K156 HydrophobicContact CB-CB 4.29Å; A153-K156 HydrophobicContact CB-CD 4.2Å; A153-K156 HydrophobicContact CB-CG 4.07Å; A153-K156 PolarHBondContact O-N 2.89Å; L154-K156 PolarHBondContact O-N 3.12Å
157A89.4Confident86.7Confident9 Ų973.6 Ų73.67%0.07440%0.404CS..  trans-61.5133.9176.700000110.7L36 H41 A153 L154 I162L36-A157 HydrophobicContact CD2-CB 3.68Å; H41-A157 VanDerWaalsContact NE2-CB 3.29Å; H41-A157 WeakPolarHBondContact NE2-CB 3.38Å; A153-A157 PolarHBondContact O-N 2.81Å; L154-A157 VanDerWaalsContact O-CB 3.28Å; L154-A157 WeakPolarHBondContact O-CB 3.21Å; L154-A157 PolarHBondContact O-N 3.18Å; A157-I162 HydrophobicContact CB-CD1 3.97Å; A157-I162 HydrophobicContact CB-CG1 3.86Å; A157-I162 WeakPolarHBondContact O-CD1 3.4Å
158P89.8Confident85.3Confident70 Ų7075.7 Ų75.746%0.45542%0.419SS..  trans-59.4145.2175.4-23.433000112G160 Y161P158-G160 PolarHBondContact O-N 3.28Å; P158-G160 VanDerWaalsContact O-N 3.11Å; P158-Y161 HydrophobicContact CB-CG 4.39Å; P158-Y161 HydrophobicContact CG-CD2 4.1Å; P158-Y161 HydrophobicContact CG-CE2 4.3Å; P158-Y161 HydrophobicContact CG-CG 4.41Å; P158-Y161 WeakPolarHBondContact O-CB 3.12Å; P158-Y161 PolarHBondContact O-N 3.1Å
159D84.8Confident83.5Confident143 Ų14369.5 Ų69.577%0.76540%0.399SS*.G310 helixtrans-55.1-35.7-178.3-76.9-36000113.2Y161 I162D159-Y161 PolarHBondContact O-N 3.16Å; D159-I162 PolarHBondContact O-N 2.96Å
160G86.8Confident81.2Confident74 Ų7471.8 Ų71.876%0.76341%0.411SS*.G310 helixtrans-67.9-11.4176.800000114.9P158P158-G160 PolarHBondContact O-N 3.28Å; P158-G160 VanDerWaalsContact O-N 3.11Å
161Y89.4Confident78.7Confident88 Ų8870.9 Ų70.935%0.34540%0.398SS..G310 helixtrans-100-13178-68.57.5000112.1L36 M37 K38 H41 P158 D159L36-Y161 WeakPolarHBondContact CA-O 3.27Å; M37-Y161 PolarHBondContact N-O 3.28Å; K38-Y161 HydrophobicContact CB-CD1 3.83Å; K38-Y161 HydrophobicContact CB-CD2 4.09Å; K38-Y161 HydrophobicContact CB-CE1 4.01Å; K38-Y161 HydrophobicContact CB-CE2 4.23Å; K38-Y161 HydrophobicContact CB-CG 3.88Å; K38-Y161 HydrophobicContact CD-CD1 4.35Å; K38-Y161 HydrophobicContact CD-CE1 4.19Å; K38-Y161 WeakPolarHBondContact O-CD2 3.36Å; H41-Y161 AromaticContact CE1-CD2 3.89Å; P158-Y161 HydrophobicContact CB-CG 4.39Å; P158-Y161 HydrophobicContact CG-CD2 4.1Å; P158-Y161 HydrophobicContact CG-CE2 4.3Å; P158-Y161 HydrophobicContact CG-CG 4.41Å; P158-Y161 WeakPolarHBondContact O-CB 3.12Å; P158-Y161 PolarHBondContact O-N 3.1Å; D159-Y161 PolarHBondContact O-N 3.16Å
162I89.3Confident75.6Confident31 Ų3177.1 Ų77.116%0.15943%0.427CS..EExtended strand (participates in β ladder)trans-94.6137-174.2-64168.3000110.4K34 G35 L36 A157 D159K34-I162 HydrophobicContact CB-CG2 3.85Å; K34-I162 HydrophobicContact CD-CD1 4.41Å; K34-I162 HydrophobicContact CD-CG2 4.04Å; K34-I162 HydrophobicContact CG-CG2 3.87Å; G35-I162 CarbonylContact O-C 3.27Å; G35-I162 WeakPolarHBondContact O-CA 3.08Å; L36-I162 HydrophobicContact CD2-CG1 4.4Å; A157-I162 HydrophobicContact CB-CD1 3.97Å; A157-I162 HydrophobicContact CB-CG1 3.86Å; A157-I162 WeakPolarHBondContact O-CD1 3.4Å; D159-I162 PolarHBondContact O-N 2.96Å
163V89.5Confident72.8Confident51 Ų5181 Ų8131%0.30945%0.451SS..EExtended strand (participates in β ladder)trans-115.2127.5166.21770000108.8G35 M37 A122 F124G35-V163 PolarHBondContact N-O 2.8Å; G35-V163 PolarHBondContact O-N 3.14Å; M37-V163 HydrophobicContact CB-CG2 4.41Å; M37-V163 HydrophobicContact CG-CB 4.46Å; M37-V163 HydrophobicContact CG-CG2 3.31Å; M37-V163 HydrophobicContact SD-CG2 4.42Å; A122-V163 HydrophobicContact CB-CB 3.69Å; A122-V163 HydrophobicContact CB-CG1 3.99Å; A122-V163 HydrophobicContact CB-CG2 3.91Å; F124-V163 HydrophobicContact CZ-CG1 4.34Å
164K86.2Confident69.9Low166 Ų16684.9 Ų84.972%0.72247%0.474SS*.EExtended strand (participates in β ladder)trans-77142.3174.5-65.9-178.7-178.8176.80109.8Q166K164-Q166 PolarHBondContact O-N 2.88Å
165S81.7Confident67.3Low9 Ų992.5 Ų92.56%0.06351%0.509CS..  trans-61.4135.8175.9-177.60000110.7N2 T33 H167N2-S165 PolarHBondContact ND2-OG 3.11Å; T33-S165 PolarHBondContact O-N 3.35Å; S165-H167 VanDerWaalsContact C-N 3.27Å; S165-H167 PolarHBondContact OG-N 2.91Å
166Q77.6Confident65.2Low159 Ų15995.1 Ų95.174%0.74352%0.524SS*.SBendtrans-75.8-16.7172.5-48.4171.4-11.500112.3M60 K164 S168M60-Q166 HydrophobicContact CE-CB 3.39Å; M60-Q166 HydrophobicContact CE-CG 3.61Å; M60-Q166 HydrophobicContact SD-CB 4.21Å; M60-Q166 HydrophobicContact SD-CG 3.79Å; K164-Q166 PolarHBondContact O-N 2.88Å; Q166-S168 PolarHBondContact O-N 3.16Å
167H69.9Low63.4Low77 Ų7796.4 Ų96.436%0.35653%0.529SS..  trans-76.956.4166.4-59120.1000109.5N2 Y4 D5 S165N2-H167 PolarHBondContact ND2-O 2.7Å; Y4-H167 WeakPolarHBondContact CB-O 3.49Å; D5-H167 HydrophobicContact CB-CB 3.79Å; D5-H167 IonicContact OD1-CE1 3.92Å; D5-H167 IonicContact OD1-ND1 3.49Å; D5-H167 PolarHBondContact OD1-ND1 3.14Å; D5-H167 IonicContact OD2-CE1 3.8Å; D5-H167 IonicContact OD2-CG 3.76Å; D5-H167 IonicContact OD2-ND1 2.88Å; D5-H167 PolarHBondContact OD2-ND1 2.75Å; S165-H167 VanDerWaalsContact C-N 3.27Å; S165-H167 PolarHBondContact OG-N 2.91Å
168S56.8Low62.2Low77 Ų77101.4 Ų101.454%0.53855%0.55SS..  trans-88.7119.8169.552.80000107.4Q166 N170Q166-S168 PolarHBondContact O-N 3.16Å; S168-N170 PolarHBondContact O-N 2.79Å; S168-N170 VanDerWaalsContact O-N 3.08Å
169G46.8Very low61.7Low24 Ų24101 Ų10125%0.24754%0.543CS..  trans-58.8118.3159.400000107.8Y4 A171Y4-G169 VanDerWaalsContact CD2-N 3.28Å; G169-A171 PolarHBondContact O-N 2.82Å
170N34.4Very low61.7Low165 Ų16596.3 Ų96.388%0.88252%0.521SS*.  trans-66.318.5155.8-96.1-7.9000111.9S168 Q172S168-N170 PolarHBondContact O-N 2.79Å; S168-N170 VanDerWaalsContact O-N 3.08Å; N170-Q172 PolarHBondContact O-N 2.86Å
171A33.8Very low61.7Low47 Ų4794.7 Ų94.739%0.38849%0.494SS..  trans-65.896.9150.400000106.1Y4 G169Y4-A171 HydrophobicContact CE1-CB 4.46Å; Y4-A171 WeakPolarHBondContact OH-CB 3.46Å; G169-A171 PolarHBondContact O-N 2.82Å
172Q27.6Very low61.8Low152 Ų15290.6 Ų90.671%0.7148%0.479SS*.  -37.8151.9127.4-73.7-171.7-23.700106.9N170 T174N170-Q172 PolarHBondContact O-N 2.86Å; Q172-T174 HydrophobicContact CB-CG2 4.18Å; Q172-T174 PolarHBondContact O-N 2.82Å; Q172-T174 PolarHBondContact O-OG1 3.19Å
173V33.7Very low62.1Low149 Ų14989.1 Ų89.190%0.90347%0.471SS*.  trans-63.765.1148.1-172.60000105.9Q175V173-Q175 PolarHBondContact O-N 2.87Å
174T30.4Very low62.2Low89 Ų8992.3 Ų92.355%0.54648%0.481SS..  trans-56.5104.2156.120.70000101Q172 T176Q172-T174 HydrophobicContact CB-CG2 4.18Å; Q172-T174 PolarHBondContact O-N 2.82Å; Q172-T174 PolarHBondContact O-OG1 3.19Å; T174-T176 PolarHBondContact O-N 2.82Å
175Q35.6Very low62.7Low173 Ų17385.1 Ų85.181%0.80845%0.453SS*.  trans-29.1116.5155.9-72.3176.6-17.400106.3V173 K177V173-Q175 PolarHBondContact O-N 2.87Å; Q175-K177 WeakPolarHBondContact O-CA 3.46Å; Q175-K177 PolarHBondContact O-N 2.88Å
176T45.8Very low63.4Low89 Ų8984.8 Ų84.855%0.54645%0.45SS..  trans-47.7109.6-178.2-27.50000105.3T174 F178T174-T176 PolarHBondContact O-N 2.82Å; T176-F178 PolarHBondContact O-N 3.32Å
177K51.7Low64.4Low182 Ų18278.3 Ų78.379%0.79142%0.42SS*.  trans-55.8120.8-168.4-162177.8-175.7-178.80105.5Q175 L179 Q259Q175-K177 WeakPolarHBondContact O-CA 3.46Å; Q175-K177 PolarHBondContact O-N 2.88Å; K177-L179 PolarHBondContact O-N 2.72Å; K177-Q259 PolarHBondContact O-NE2 3.36Å
178F64.6Low65.8Low114 Ų11474.7 Ų74.750%0.540%0.403SS..  trans-55.5114.8-177.8175.5-96000107.3T176 P180T176-F178 PolarHBondContact O-N 3.32Å; F178-P180 HydrophobicContact CD1-CG 4.39Å; F178-P180 HydrophobicContact CE1-CB 4.3Å; F178-P180 HydrophobicContact CE1-CG 4.19Å
179L79.4Confident67.6Low62 Ų6271 Ų7133%0.32538%0.378SS..  trans-99.8113.8177-75.1175.7000105.6K177 N181 A182K177-L179 PolarHBondContact O-N 2.72Å; L179-N181 PolarHBondContact O-N 3.44Å; L179-N181 VanDerWaalsContact O-N 3.08Å; L179-A182 HydrophobicContact CB-CB 3.6Å; L179-A182 HydrophobicContact CD1-CB 4.37Å; L179-A182 PolarHBondContact O-N 2.6Å
180P84.1Confident69.6Low45 Ų4570.2 Ų70.229%0.29237%0.368SS..THydrogen-bonded Turntrans-55.2-33.7-173.7-28.535.3000113.5F178 L232 E233 G235 V236F178-P180 HydrophobicContact CD1-CG 4.39Å; F178-P180 HydrophobicContact CE1-CB 4.3Å; F178-P180 HydrophobicContact CE1-CG 4.19Å; P180-L232 CarbonylContact C-O 3.59Å; P180-L232 VanDerWaalsContact CB-O 3.24Å; P180-L232 WeakPolarHBondContact CB-O 3.47Å; P180-L232 VanDerWaalsContact O-O 3.08Å; P180-E233 WeakPolarHBondContact CB-O 3.1Å; P180-G235 CarbonylContact O-C 3.52Å; P180-G235 WeakPolarHBondContact O-CA 3.44Å; P180-V236 PolarHBondContact O-N 2.87Å
181N88.4Confident72.1Confident39 Ų3962.8 Ų62.821%0.20933%0.329CS..THydrogen-bonded Turntrans-94.217.8-179.371.6-30.4000114.2L179 L232 K254 N256L179-N181 PolarHBondContact O-N 3.44Å; L179-N181 VanDerWaalsContact O-N 3.08Å; N181-L232 HydrophobicContact CB-CB 4.18Å; N181-L232 HydrophobicContact CB-CD2 4.44Å; N181-L232 PolarHBondContact N-O 3.31Å; N181-K254 WeakPolarHBondContact CB-O 3.44Å; N181-K254 PolarHBondContact ND2-O 2.99Å; N181-N256 PolarHBondContact O-N 3.08Å
182A90.6Very high74.5Confident2 Ų264.4 Ų64.42%0.01733%0.325CS..  trans-119.691.8-179.500000111.8L179 N256 Q259L179-A182 HydrophobicContact CB-CB 3.6Å; L179-A182 HydrophobicContact CD1-CB 4.37Å; L179-A182 PolarHBondContact O-N 2.6Å; A182-N256 VanDerWaalsContact CA-O 3.26Å; A182-N256 WeakPolarHBondContact CA-O 3.39Å; A182-N256 HydrophobicContact CB-CB 4.07Å; A182-Q259 HydrophobicContact CB-CB 3.79Å; A182-Q259 HydrophobicContact CB-CG 3.68Å; A182-Q259 PolarHBondContact O-OE1 2.91Å
183P94.9Very high77.2Confident0 Ų058.6 Ų58.60%030%0.298CS..  trans-68.5156-178.629.4-36.2000112.6V236 D237 V239 L255 Q259 V260P183-V236 WeakPolarHBondContact CA-O 3.45Å; P183-V236 HydrophobicContact CB-CG1 4.16Å; P183-D237 WeakPolarHBondContact CB-O 3.46Å; P183-V239 HydrophobicContact CB-CB 4.33Å; P183-V239 HydrophobicContact CB-CG2 3.87Å; P183-V239 HydrophobicContact CG-CB 4.16Å; P183-V239 HydrophobicContact CG-CG2 3.76Å; P183-L255 HydrophobicContact CG-CD1 4.02Å; P183-Q259 CarbonylContact O-C 3.56Å; P183-V260 HydrophobicContact CG-CG2 4.27Å; P183-V260 WeakPolarHBondContact O-CA 3.43Å; P183-V260 WeakPolarHBondContact O-CG2 3.45Å; P183-V260 PolarHBondContact O-N 3.32Å; P183-V260 VanDerWaalsContact O-N 3.16Å
184K92.6Very high79.6Confident119 Ų11952 Ų5252%0.51726%0.258SS..SBendtrans-82.2-31.7170-71.5-177.7-178.6-76.10112.5D237 R261 F262K184-D237 PolarHBondContact N-O 2.88Å; K184-R261 PolarHBondContact O-N 2.96Å; K184-F262 PolarHBondContact O-N 3.32Å; K184-F262 VanDerWaalsContact O-N 3.15Å
185A96.1Very high82.6Confident15 Ų1547.8 Ų47.812%0.12423%0.232CC..EExtended strand (participates in β ladder)trans-124.8135.9178.100000111.1D237 I238 V239 F262A185-D237 PolarHBondContact N-O 2.76Å; A185-D237 VanDerWaalsContact N-O 3.07Å; A185-I238 HydrophobicContact CB-CG1 4.25Å; A185-I238 HydrophobicContact CB-CG2 4.22Å; A185-V239 PolarHBondContact O-N 3.45Å; A185-F262 WeakPolarHBondContact CA-O 3.18Å; A185-F262 HydrophobicContact CB-CB 4.03Å
186L97.9Very high85.2Confident1 Ų142.8 Ų42.81%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-123.5119.4173.9179.360000109.2V188 V239 L246 L257 V260 F262 L263 V264 M283L186-V188 HydrophobicContact CG-CG2 4.21Å; L186-V239 WeakPolarHBondContact CA-O 3.37Å; L186-V239 HydrophobicContact CD1-CB 3.92Å; L186-V239 HydrophobicContact CD1-CG1 3.58Å; L186-L246 HydrophobicContact CD1-CD1 4.28Å; L186-L246 HydrophobicContact CD1-CD2 3.93Å; L186-L257 HydrophobicContact CD2-CD2 3.84Å; L186-V260 HydrophobicContact CB-CG1 4.25Å; L186-V260 HydrophobicContact CB-CG2 4.32Å; L186-F262 PolarHBondContact N-O 2.66Å; L186-L263 HydrophobicContact CB-CD1 4.36Å; L186-L263 HydrophobicContact CD2-CD1 4.23Å; L186-L263 HydrophobicContact CG-CD1 4.28Å; L186-L263 WeakPolarHBondContact O-CA 3.48Å; L186-V264 PolarHBondContact O-N 2.78Å; L186-M283 HydrophobicContact CD2-CG 4.11Å; L186-M283 HydrophobicContact CD2-SD 3.36Å; L186-M283 WeakPolarHBondContact CD2-SD 3.38Å; L186-M283 HydrophobicContact CG-SD 4.37Å
187I98.4Very high87.2Confident24 Ų2441.3 Ų41.312%0.12320%0.196CC..EExtended strand (participates in β ladder)trans-112.5122.2178.4-54.1172.8000108.1E189 T198 I202 I238 V239 V240 G241 V264I187-E189 HydrophobicContact CG2-CG 4.23Å; I187-T198 HydrophobicContact CD1-CG2 4.25Å; I187-T198 HydrophobicContact CG2-CG2 4.14Å; I187-I202 HydrophobicContact CD1-CD1 3.82Å; I187-I238 HydrophobicContact CD1-CG2 4.2Å; I187-V239 PolarHBondContact N-O 3.32Å; I187-V240 HydrophobicContact CB-CG1 4.41Å; I187-V240 HydrophobicContact CB-CG2 4.3Å; I187-V240 HydrophobicContact CD1-CG2 4.2Å; I187-V240 HydrophobicContact CG2-CG1 4.44Å; I187-V240 WeakPolarHBondContact O-CA 3.28Å; I187-G241 PolarHBondContact O-N 2.91Å; I187-V264 HydrophobicContact CB-CB 4.29Å; I187-V264 HydrophobicContact CG1-CB 3.99Å; I187-V264 HydrophobicContact CG1-CG2 4.06Å; I187-V264 HydrophobicContact CG2-CB 4.1Å; I187-V264 HydrophobicContact CG2-CG1 4.23Å
188V97.8Very high89.2Confident0 Ų033.8 Ų33.80%017%0.165CC..EExtended strand (participates in β ladder)trans-109.8126.4-176.9-176.20000109.6L186 G241 P243 L246 L263 V264 L265 D266 L271 F279 M283L186-V188 HydrophobicContact CG-CG2 4.21Å; V188-G241 WeakPolarHBondContact CA-O 3.29Å; V188-P243 HydrophobicContact CG1-CG 3.89Å; V188-L246 HydrophobicContact CG1-CD1 4.34Å; V188-L246 HydrophobicContact CG2-CD1 3.93Å; V188-L263 HydrophobicContact CG2-CD1 4.41Å; V188-V264 PolarHBondContact N-O 3.41Å; V188-L265 HydrophobicContact CB-CD2 3.87Å; V188-L265 HydrophobicContact CG2-CD2 4.03Å; V188-D266 PolarHBondContact O-N 2.96Å; V188-L271 HydrophobicContact CG1-CD1 4.09Å; V188-L271 HydrophobicContact CG1-CD2 4.04Å; V188-F279 HydrophobicContact CG1-CE1 4.01Å; V188-M283 HydrophobicContact CG2-CE 3.87Å; V188-M283 HydrophobicContact CG2-SD 3.94Å
189E95.3Very high90.6Very high0 Ų028.8 Ų28.80%014%0.143CC..  trans-125.3136.8-170.4-63.4-76.2-169.400109.8I187 S191 L194 A195 T198 V240 G241 T242 P243 D266I187-E189 HydrophobicContact CG2-CG 4.23Å; E189-S191 VanDerWaalsContact C-N 3.32Å; E189-S191 PolarHBondContact O-N 3.36Å; E189-L194 WeakPolarHBondContact OE2-CD2 3.03Å; E189-L194 WeakPolarHBondContact OE2-CG 3.43Å; E189-A195 HydrophobicContact CB-CB 3.82Å; E189-A195 HydrophobicContact CG-CB 4.02Å; E189-T198 VanDerWaalsContact OE1-CB 3.27Å; E189-T198 WeakPolarHBondContact OE1-CB 3.43Å; E189-T198 WeakPolarHBondContact OE1-CG2 3.36Å; E189-T198 PolarHBondContact OE1-OG1 3.42Å; E189-V240 HydrophobicContact CG-CG1 3.87Å; E189-G241 PolarHBondContact N-O 2.78Å; E189-T242 WeakPolarHBondContact O-CA 3.24Å; E189-P243 WeakPolarHBondContact O-CD 3.38Å; E189-D266 WeakPolarHBondContact OE2-CB 3.41Å
190P89.6Confident91.3Very high7 Ų729.7 Ų29.75%0.04515%0.148CC..SBendtrans-69.9-25.5-177.128.5-38.4000114L194 D266 E267 L271 Q274P190-L194 HydrophobicContact CG-CD2 4.23Å; P190-D266 WeakPolarHBondContact CD-O 3.5Å; P190-E267 HydrophobicContact CG-CB 3.6Å; P190-E267 HydrophobicContact CG-CG 4.41Å; P190-E267 WeakPolarHBondContact CG-OE2 3.5Å; P190-L271 HydrophobicContact CB-CD2 3.99Å; P190-L271 HydrophobicContact CB-CG 4.16Å; P190-Q274 PolarHBondContact O-NE2 3.05Å
191S85.5Confident91.7Very high9 Ų930.6 Ų30.66%0.06315%0.151CC..SBendtrans-128.8158.3-176.183.60000111.8E189 E193 L194 A195 T242 R473E189-S191 VanDerWaalsContact C-N 3.32Å; E189-S191 PolarHBondContact O-N 3.36Å; S191-E193 VanDerWaalsContact C-N 3.3Å; S191-L194 WeakPolarHBondContact OG-CB 3.31Å; S191-L194 PolarHBondContact OG-N 2.72Å; S191-A195 PolarHBondContact O-N 3.25Å; S191-T242 VanDerWaalsContact C-CG2 3.49Å; S191-T242 WeakPolarHBondContact O-CG2 3.17Å; S191-R473 PolarHBondContact OG-O 3.14Å
192R85.4Confident92Very high81 Ų8129.9 Ų29.931%0.30615%0.147SC..Hα-helixtrans-68.5-36.6178.8-64.1-175.5179156.6-1.4111.1A195 E196 I220 G221 T242R192-A195 PolarHBondContact O-N 2.78Å; R192-E196 WeakPolarHBondContact O-CG 3.48Å; R192-E196 PolarHBondContact O-N 3.1Å; R192-I220 HydrophobicContact CB-CD1 4.18Å; R192-I220 HydrophobicContact CB-CG2 4.45Å; R192-I220 HydrophobicContact CG-CB 4.09Å; R192-I220 HydrophobicContact CG-CD1 4.4Å; R192-I220 HydrophobicContact CG-CG2 4.32Å; R192-G221 VanDerWaalsContact CZ-C 3.42Å; R192-G221 PolarHBondContact NE-O 3.11Å; R192-G221 VanDerWaalsContact NH2-C 3.29Å; R192-G221 PolarHBondContact NH2-O 3.34Å; R192-T242 HydrophobicContact CG-CG2 4.15Å
193E82.8Confident92.1Very high30 Ų3033.8 Ų33.814%0.1416%0.163CC..Hα-helixtrans-66.3-44.1-177.3-69.160.8-142.600110.5S191 E196 Q197 R450S191-E193 VanDerWaalsContact C-N 3.3Å; E193-E196 PolarHBondContact O-N 2.93Å; E193-Q197 PolarHBondContact O-N 3.44Å; E193-R450 VanDerWaalsContact CD-NH1 3.3Å; E193-R450 IonicContact OE1-CZ 3.72Å; E193-R450 IonicContact OE1-NE 2.7Å; E193-R450 IonicContact OE1-NH1 3.6Å; E193-R450 PolarHBondContact OE1-NH1 3.2Å; E193-R450 IonicContact OE1-NH2 3.63Å; E193-R450 PolarHBondContact OE1-NH2 3.45Å; E193-R450 IonicContact OE2-CZ 2.99Å; E193-R450 VanDerWaalsContact OE2-CZ 3.31Å; E193-R450 IonicContact OE2-NH1 3.62Å; E193-R450 PolarHBondContact OE2-NH1 2.73Å; E193-R450 IonicContact OE2-NH2 2.68Å; E193-R450 PolarHBondContact OE2-NH2 3.44Å
194L85.8Confident92Very high12 Ų1239.1 Ų39.16%0.06319%0.188CC..Hα-helixtrans-65.1-44.1175.5-163.751.5000111.1E189 P190 S191 E196 Q197 T198 E267E189-L194 WeakPolarHBondContact OE2-CD2 3.03Å; E189-L194 WeakPolarHBondContact OE2-CG 3.43Å; P190-L194 HydrophobicContact CG-CD2 4.23Å; S191-L194 WeakPolarHBondContact OG-CB 3.31Å; S191-L194 PolarHBondContact OG-N 2.72Å; L194-E196 VanDerWaalsContact C-N 3.31Å; L194-E196 PolarHBondContact O-N 3.24Å; L194-Q197 WeakPolarHBondContact O-CB 3.38Å; L194-Q197 PolarHBondContact O-N 3.09Å; L194-T198 PolarHBondContact O-N 3Å; L194-T198 PolarHBondContact O-OG1 3.4Å; L194-E267 HydrophobicContact CD2-CB 4.35Å; L194-E267 HydrophobicContact CD2-CG 3.8Å
195A91.9Very high91.8Very high0 Ų040.4 Ų40.40%019%0.194CC..Hα-helixtrans-58.4-41.1175.100000113.2E189 S191 R192 L199 L218 I220 V240 T242E189-A195 HydrophobicContact CB-CB 3.82Å; E189-A195 HydrophobicContact CG-CB 4.02Å; S191-A195 PolarHBondContact O-N 3.25Å; R192-A195 PolarHBondContact O-N 2.78Å; A195-L199 VanDerWaalsContact O-CB 3.31Å; A195-L199 WeakPolarHBondContact O-CB 3.47Å; A195-L199 PolarHBondContact O-N 2.79Å; A195-L218 HydrophobicContact CB-CD1 3.72Å; A195-L218 WeakPolarHBondContact O-CD1 3.35Å; A195-I220 HydrophobicContact CB-CG2 3.91Å; A195-V240 HydrophobicContact CB-CG1 4.01Å; A195-V240 WeakPolarHBondContact O-CG1 3.23Å; A195-T242 HydrophobicContact CB-CG2 4.43Å
196E90.4Very high91.6Very high68 Ų6842.7 Ų42.732%0.31820%0.201SC..Hα-helixtrans-64.3-41.8173.9-77.5-178.3-175.500111.9R192 E193 L194 N200 L218 I220R192-E196 WeakPolarHBondContact O-CG 3.48Å; R192-E196 PolarHBondContact O-N 3.1Å; E193-E196 PolarHBondContact O-N 2.93Å; L194-E196 VanDerWaalsContact C-N 3.31Å; L194-E196 PolarHBondContact O-N 3.24Å; E196-N200 WeakPolarHBondContact O-CB 3.41Å; E196-N200 PolarHBondContact O-N 2.93Å; E196-N200 PolarHBondContact O-ND2 3.41Å; E196-N200 VanDerWaalsContact O-ND2 3.1Å; E196-L218 HydrophobicContact CG-CD2 3.59Å; E196-I220 HydrophobicContact CG-CD1 4.3Å
197Q87.5Confident91.3Very high58 Ų5849.7 Ų49.727%0.27123%0.232SC..Hα-helixtrans-63.1-50.6176.8178.4176.6-12.600111.7E193 L194 L199 N200 N201 G474E193-Q197 PolarHBondContact O-N 3.44Å; L194-Q197 WeakPolarHBondContact O-CB 3.38Å; L194-Q197 PolarHBondContact O-N 3.09Å; Q197-L199 VanDerWaalsContact C-N 3.33Å; Q197-L199 PolarHBondContact O-N 3.34Å; Q197-N200 WeakPolarHBondContact O-CB 3.34Å; Q197-N200 PolarHBondContact O-N 3.48Å; Q197-N200 VanDerWaalsContact O-N 3.09Å; Q197-N201 PolarHBondContact O-N 2.95Å; Q197-G474 PolarHBondContact OE1-O 2.97Å
198T94Very high90.8Very high23 Ų2358 Ų5814%0.14126%0.263CS..Hα-helixtrans-58.3-44.9177.5-62.60000111.2I187 E189 L194 N200 N201 I202 V240I187-T198 HydrophobicContact CD1-CG2 4.25Å; I187-T198 HydrophobicContact CG2-CG2 4.14Å; E189-T198 VanDerWaalsContact OE1-CB 3.27Å; E189-T198 WeakPolarHBondContact OE1-CB 3.43Å; E189-T198 WeakPolarHBondContact OE1-CG2 3.36Å; E189-T198 PolarHBondContact OE1-OG1 3.42Å; L194-T198 PolarHBondContact O-N 3Å; L194-T198 PolarHBondContact O-OG1 3.4Å; T198-N200 VanDerWaalsContact C-N 3.35Å; T198-N200 PolarHBondContact O-N 3.01Å; T198-N201 WeakPolarHBondContact O-CB 3.47Å; T198-N201 PolarHBondContact O-N 2.8Å; T198-I202 HydrophobicContact CG2-CD1 4.09Å; T198-I202 WeakPolarHBondContact O-CG1 3.39Å; T198-I202 PolarHBondContact O-N 3.39Å; T198-V240 HydrophobicContact CG2-CG1 4.07Å; T198-V240 HydrophobicContact CG2-CG2 4.25Å
199L95.2Very high90.3Very high9 Ų961.2 Ų61.25%0.04728%0.279CS..Hα-helixtrans-63.4-39.1175.3-167.892.9000112.5A195 Q197 N201 I202 K203 E216 L218 V240A195-L199 VanDerWaalsContact O-CB 3.31Å; A195-L199 WeakPolarHBondContact O-CB 3.47Å; A195-L199 PolarHBondContact O-N 2.79Å; Q197-L199 VanDerWaalsContact C-N 3.33Å; Q197-L199 PolarHBondContact O-N 3.34Å; L199-N201 VanDerWaalsContact C-N 3.31Å; L199-I202 PolarHBondContact O-N 3.01Å; L199-K203 HydrophobicContact CD2-CD 4.41Å; L199-K203 WeakPolarHBondContact O-CB 3.32Å; L199-K203 WeakPolarHBondContact O-CG 3.48Å; L199-K203 PolarHBondContact O-N 2.83Å; L199-E216 HydrophobicContact CD1-CB 4.03Å; L199-E216 HydrophobicContact CD1-CG 3.68Å; L199-E216 HydrophobicContact CG-CG 4.15Å; L199-L218 HydrophobicContact CB-CD1 4.28Å; L199-L218 HydrophobicContact CD1-CB 4.15Å; L199-L218 HydrophobicContact CD2-CB 3.71Å; L199-L218 HydrophobicContact CD2-CD2 4.35Å; L199-L218 HydrophobicContact CD2-CG 4.42Å; L199-L218 HydrophobicContact CG-CB 4.41Å; L199-V240 HydrophobicContact CB-CG2 4.39Å; L199-V240 HydrophobicContact CD1-CB 4.14Å; L199-V240 HydrophobicContact CD1-CG2 3.89Å
200N92.8Very high89.7Confident81 Ų8168 Ų6843%0.43332%0.315SS..Hα-helixtrans-64.4-38176.3-74.4-29.8000111.6E196 Q197 T198 K203 Q204E196-N200 WeakPolarHBondContact O-CB 3.41Å; E196-N200 PolarHBondContact O-N 2.93Å; E196-N200 PolarHBondContact O-ND2 3.41Å; E196-N200 VanDerWaalsContact O-ND2 3.1Å; Q197-N200 WeakPolarHBondContact O-CB 3.34Å; Q197-N200 PolarHBondContact O-N 3.48Å; Q197-N200 VanDerWaalsContact O-N 3.09Å; T198-N200 VanDerWaalsContact C-N 3.35Å; T198-N200 PolarHBondContact O-N 3.01Å; N200-K203 WeakPolarHBondContact O-CB 3.49Å; N200-K203 PolarHBondContact O-N 2.9Å; N200-Q204 WeakPolarHBondContact O-CG 3.07Å; N200-Q204 PolarHBondContact O-N 2.87Å
201N92.9Very high89.2Confident65 Ų6575 Ų7535%0.34835%0.353SS..Hα-helixtrans-63-48.7173.1-70.9-16.2000110.7Q197 T198 L199 K203 Q204 F205Q197-N201 PolarHBondContact O-N 2.95Å; T198-N201 WeakPolarHBondContact O-CB 3.47Å; T198-N201 PolarHBondContact O-N 2.8Å; L199-N201 VanDerWaalsContact C-N 3.31Å; N201-K203 PolarHBondContact O-N 2.89Å; N201-Q204 WeakPolarHBondContact O-CA 3.42Å; N201-Q204 WeakPolarHBondContact O-CB 3.28Å; N201-Q204 PolarHBondContact O-N 2.92Å; N201-F205 HydrophobicContact CB-CE2 4.35Å; N201-F205 WeakPolarHBondContact O-CD2 3.16Å; N201-F205 PolarHBondContact O-N 3.44Å
202I94.5Very high88.9Confident24 Ų2478.5 Ų78.512%0.12338%0.375CS..Hα-helixtrans-55.5-42.1174.9-68.1160.2000111.1I187 T198 L199 Q204 F205 K206 E216 I238 V240I187-I202 HydrophobicContact CD1-CD1 3.82Å; T198-I202 HydrophobicContact CG2-CD1 4.09Å; T198-I202 WeakPolarHBondContact O-CG1 3.39Å; T198-I202 PolarHBondContact O-N 3.39Å; L199-I202 PolarHBondContact O-N 3.01Å; I202-Q204 VanDerWaalsContact C-N 3.27Å; I202-Q204 PolarHBondContact O-N 3.4Å; I202-F205 PolarHBondContact O-N 3.1Å; I202-K206 WeakPolarHBondContact O-CB 3.27Å; I202-K206 PolarHBondContact O-N 3.2Å; I202-E216 HydrophobicContact CG2-CB 4.13Å; I202-E216 HydrophobicContact CG2-CG 4.34Å; I202-I238 HydrophobicContact CD1-CG2 4.03Å; I202-I238 HydrophobicContact CG2-CD1 4.15Å; I202-V240 HydrophobicContact CD1-CG2 3.47Å; I202-V240 VanDerWaalsContact CD1-CG2 3.47Å
203K93.8Very high89Confident83 Ų8383 Ų8336%0.36140%0.397SS..Hα-helixtrans-63.4-29175.3-79.3175.1179.7178.40113.9L199 N200 N201 K207 E216L199-K203 HydrophobicContact CD2-CD 4.41Å; L199-K203 WeakPolarHBondContact O-CB 3.32Å; L199-K203 WeakPolarHBondContact O-CG 3.48Å; L199-K203 PolarHBondContact O-N 2.83Å; N200-K203 WeakPolarHBondContact O-CB 3.49Å; N200-K203 PolarHBondContact O-N 2.9Å; N201-K203 PolarHBondContact O-N 2.89Å; K203-K207 WeakPolarHBondContact O-CG 3.33Å; K203-E216 WeakPolarHBondContact CE-OE1 3.3Å; K203-E216 HydrophobicContact CG-CG 4.24Å; K203-E216 WeakPolarHBondContact CG-OE1 3.42Å
204Q92.1Very high89.4Confident112 Ų11283.5 Ų83.552%0.52340%0.4SS..Hα-helixtrans-76-46.5174.4-68.9175.930.100110.7N200 N201 I202 K207N200-Q204 WeakPolarHBondContact O-CG 3.07Å; N200-Q204 PolarHBondContact O-N 2.87Å; N201-Q204 WeakPolarHBondContact O-CA 3.42Å; N201-Q204 WeakPolarHBondContact O-CB 3.28Å; N201-Q204 PolarHBondContact O-N 2.92Å; I202-Q204 VanDerWaalsContact C-N 3.27Å; I202-Q204 PolarHBondContact O-N 3.4Å; Q204-K207 WeakPolarHBondContact O-CB 3.39Å; Q204-K207 PolarHBondContact O-N 2.94Å
205F89.1Confident89.8Confident146 Ų14687.8 Ų87.864%0.6442%0.416SS*.Hα-helixtrans-64.2-43.8179-73-68.4000112.7N201 I202 K207 Y208N201-F205 HydrophobicContact CB-CE2 4.35Å; N201-F205 WeakPolarHBondContact O-CD2 3.16Å; N201-F205 PolarHBondContact O-N 3.44Å; I202-F205 PolarHBondContact O-N 3.1Å; F205-K207 PolarHBondContact O-N 2.86Å; F205-Y208 PolarHBondContact O-N 2.92Å; F205-Y208 VanDerWaalsContact O-N 3.08Å
206K91.6Very high89.9Confident64 Ų6489.1 Ų89.128%0.27842%0.422SS..G310 helixtrans-62.1-19.6-176.581.6178.7-163171.40113.9I202 Y208 I209 L214 E216I202-K206 WeakPolarHBondContact O-CB 3.27Å; I202-K206 PolarHBondContact O-N 3.2Å; K206-Y208 PolarHBondContact O-N 2.99Å; K206-I209 PolarHBondContact O-N 2.95Å; K206-I209 VanDerWaalsContact O-N 3.1Å; K206-L214 HydrophobicContact CB-CB 4.31Å; K206-L214 HydrophobicContact CB-CD1 4.45Å; K206-E216 WeakPolarHBondContact CD-OE2 3.41Å; K206-E216 WeakPolarHBondContact CE-OE2 3.42Å; K206-E216 IonicContact NZ-OE1 2.7Å; K206-E216 PolarHBondContact NZ-OE1 2.76Å; K206-E216 IonicContact NZ-OE2 2.63Å; K206-E216 PolarHBondContact NZ-OE2 2.76Å
207K90.5Very high90.2Very high148 Ų14886.6 Ų86.664%0.64341%0.411SS*.G310 helixtrans-61.5-20.7176.8-69.7173.9-176.3179.40112.6K203 Q204 F205K203-K207 WeakPolarHBondContact O-CG 3.33Å; Q204-K207 WeakPolarHBondContact O-CB 3.39Å; Q204-K207 PolarHBondContact O-N 2.94Å; F205-K207 PolarHBondContact O-N 2.86Å
208Y88.7Confident90.6Very high198 Ų19885.3 Ų85.378%0.77641%0.405SS*.G310 helixtrans-102.89.8-179.7-53.9-74.4000112.4F205 K206F205-Y208 PolarHBondContact O-N 2.92Å; F205-Y208 VanDerWaalsContact O-N 3.08Å; K206-Y208 PolarHBondContact O-N 2.99Å
209I86.1Confident90.7Very high67 Ų6784.2 Ų84.234%0.34440%0.399SS..  trans-122.699.1-178.8-54.6176.6000108.8K206 P212 L214K206-I209 PolarHBondContact O-N 2.95Å; K206-I209 VanDerWaalsContact O-N 3.1Å; I209-P212 WeakPolarHBondContact CG2-O 3.35Å; I209-L214 HydrophobicContact CB-CD1 4.47Å; I209-L214 HydrophobicContact CD1-CD1 3.69Å; I209-L214 HydrophobicContact CG2-CD1 4.31Å; I209-L214 HydrophobicContact CG2-CG 4.34Å
210D82.9Confident90.6Very high142 Ų14284 Ų8476%0.75940%0.397SS*.THydrogen-bonded Turntrans-92.7-22.9-177-65.7-35.7000113.2
211N79.4Confident90.2Very high155 Ų15581 Ų8183%0.82939%0.386SS*.THydrogen-bonded Turntrans-144.2106.9-178.7-170.823000112.3
212P79.4Confident89.4Confident82 Ų8281.1 Ų81.153%0.53240%0.402SS..THydrogen-bonded Turncis-75.9149.5-1.331.8-35000112.3I209 L214I209-P212 WeakPolarHBondContact CG2-O 3.35Å; P212-L214 HydrophobicContact CG-CD2 4.43Å; P212-L214 PolarHBondContact O-N 2.81Å; P212-L214 VanDerWaalsContact O-N 3.14Å
213K87.1Confident88.8Confident176 Ų17683 Ų8377%0.76541%0.414SS*.THydrogen-bonded Turntrans-71.9106.8172.1-172.8171-172.5169.80110.1
214L91.7Very high88.2Confident40 Ų4081.7 Ų81.721%0.20942%0.419CS..  trans-71136.9-175.8-62.9175.4000112.5K206 I209 P212 D237 I238K206-L214 HydrophobicContact CB-CB 4.31Å; K206-L214 HydrophobicContact CB-CD1 4.45Å; I209-L214 HydrophobicContact CB-CD1 4.47Å; I209-L214 HydrophobicContact CD1-CD1 3.69Å; I209-L214 HydrophobicContact CG2-CD1 4.31Å; I209-L214 HydrophobicContact CG2-CG 4.34Å; P212-L214 HydrophobicContact CG-CD2 4.43Å; P212-L214 PolarHBondContact O-N 2.81Å; P212-L214 VanDerWaalsContact O-N 3.14Å; L214-D237 HydrophobicContact CD2-CB 4.42Å; L214-I238 HydrophobicContact CD1-CD1 4.45Å
215R93.3Very high87.7Confident102 Ų10278.3 Ų78.339%0.38541%0.41SS..  trans-115.3126.5173.8-61.3175.758.3125.15.1110.1N234 G235 D237 I238R215-N234 PolarHBondContact NH1-O 3.19Å; R215-N234 VanDerWaalsContact NH1-O 3.12Å; R215-N234 VanDerWaalsContact NH2-C 3.3Å; R215-N234 PolarHBondContact NH2-O 3.24Å; R215-N234 VanDerWaalsContact NH2-O 3.08Å; R215-G235 VanDerWaalsContact CZ-O 3.24Å; R215-G235 PolarHBondContact NE-O 2.85Å; R215-G235 PolarHBondContact NH2-O 3.37Å; R215-D237 WeakPolarHBondContact CB-OD2 3.38Å; R215-D237 PolarHBondContact N-OD2 3.5Å; R215-D237 WeakPolarHBondContact O-CA 3.35Å; R215-D237 WeakPolarHBondContact O-CB 3.43Å; R215-D237 PolarHBondContact O-N 2.92Å; R215-I238 PolarHBondContact O-N 2.75Å
216E95.3Very high87.6Confident29 Ų2981.3 Ų81.314%0.13642%0.417CS..EExtended strand (participates in β ladder)trans-120149.4-178.276.1-66.4171.900111.8L199 I202 K203 K206 I238L199-E216 HydrophobicContact CD1-CB 4.03Å; L199-E216 HydrophobicContact CD1-CG 3.68Å; L199-E216 HydrophobicContact CG-CG 4.15Å; I202-E216 HydrophobicContact CG2-CB 4.13Å; I202-E216 HydrophobicContact CG2-CG 4.34Å; K203-E216 WeakPolarHBondContact CE-OE1 3.3Å; K203-E216 HydrophobicContact CG-CG 4.24Å; K203-E216 WeakPolarHBondContact CG-OE1 3.42Å; K206-E216 WeakPolarHBondContact CD-OE2 3.41Å; K206-E216 WeakPolarHBondContact CE-OE2 3.42Å; K206-E216 IonicContact NZ-OE1 2.7Å; K206-E216 PolarHBondContact NZ-OE1 2.76Å; K206-E216 IonicContact NZ-OE2 2.63Å; K206-E216 PolarHBondContact NZ-OE2 2.76Å; E216-I238 CarbonylContact C-O 3.51Å; E216-I238 WeakPolarHBondContact CA-O 3.45Å; E216-I238 HydrophobicContact CB-CB 4.39Å
217L96.3Very high87.4Confident15 Ų1582.7 Ų82.78%0.07943%0.428CS..EExtended strand (participates in β ladder)trans-135.9140.2174.2175.762.6000111.4I219 V231 L232 V236 I238 V240L217-I219 HydrophobicContact CD2-CD1 3.99Å; L217-I219 HydrophobicContact CD2-CG1 3.88Å; L217-I219 HydrophobicContact CG-CD1 4.48Å; L217-I219 HydrophobicContact CG-CG1 3.92Å; L217-V231 HydrophobicContact CB-CG1 4.18Å; L217-V231 HydrophobicContact CD1-CB 3.92Å; L217-V231 HydrophobicContact CD1-CG1 3.82Å; L217-V231 HydrophobicContact CD1-CG2 4.28Å; L217-V231 HydrophobicContact CD2-CB 4.4Å; L217-V231 HydrophobicContact CD2-CG1 4.31Å; L217-V231 HydrophobicContact CG-CG1 4.31Å; L217-L232 HydrophobicContact CD2-CD1 4.31Å; L217-L232 HydrophobicContact CD2-CD2 3.66Å; L217-L232 HydrophobicContact CD2-CG 3.58Å; L217-V236 HydrophobicContact CB-CG2 3.74Å; L217-I238 PolarHBondContact N-O 2.68Å; L217-V240 PolarHBondContact O-N 2.87Å
218L96.5Very high87.3Confident31 Ų3175.9 Ų75.916%0.16240%0.398CS..EExtended strand (participates in β ladder)trans-96.9121.1171.5-173.567.1000111.2A195 E196 L199 I220 Q228 V240A195-L218 HydrophobicContact CB-CD1 3.72Å; A195-L218 WeakPolarHBondContact O-CD1 3.35Å; E196-L218 HydrophobicContact CG-CD2 3.59Å; L199-L218 HydrophobicContact CB-CD1 4.28Å; L199-L218 HydrophobicContact CD1-CB 4.15Å; L199-L218 HydrophobicContact CD2-CB 3.71Å; L199-L218 HydrophobicContact CD2-CD2 4.35Å; L199-L218 HydrophobicContact CD2-CG 4.42Å; L199-L218 HydrophobicContact CG-CB 4.41Å; L218-I220 HydrophobicContact CD1-CG2 3.91Å; L218-I220 HydrophobicContact CD2-CD1 3.76Å; L218-I220 HydrophobicContact CD2-CG1 4.07Å; L218-I220 HydrophobicContact CG-CD1 4.29Å; L218-I220 HydrophobicContact CG-CG1 4.09Å; L218-I220 HydrophobicContact CG-CG2 4.02Å; L218-Q228 PolarHBondContact O-NE2 2.83Å; L218-V240 CarbonylContact C-O 3.6Å; L218-V240 WeakPolarHBondContact CA-O 3.44Å; L218-V240 HydrophobicContact CD1-CB 4.35Å; L218-V240 HydrophobicContact CD1-CG1 4.44Å
219I95.7Very high87.3Confident0 Ų068.1 Ų68.10%037%0.37CS..EExtended strand (participates in β ladder)trans-114.388.3-179.7-59.3-175000109.5L217 V239 V240 G241 T242 R245 L246 L249 L255L217-I219 HydrophobicContact CD2-CD1 3.99Å; L217-I219 HydrophobicContact CD2-CG1 3.88Å; L217-I219 HydrophobicContact CG-CD1 4.48Å; L217-I219 HydrophobicContact CG-CG1 3.92Å; I219-V239 HydrophobicContact CB-CG1 4.36Å; I219-V239 HydrophobicContact CD1-CG1 3.48Å; I219-V239 VanDerWaalsContact CD1-CG1 3.48Å; I219-V239 HydrophobicContact CD1-CG2 4.17Å; I219-V239 HydrophobicContact CG1-CG1 3.91Å; I219-V240 PolarHBondContact N-O 3.35Å; I219-G241 CarbonylContact O-C 3.56Å; I219-G241 WeakPolarHBondContact O-CA 3.46Å; I219-T242 PolarHBondContact O-N 3.21Å; I219-R245 HydrophobicContact CG2-CB 4Å; I219-R245 HydrophobicContact CG2-CG 3.45Å; I219-R245 VanDerWaalsContact CG2-CG 3.45Å; I219-L246 HydrophobicContact CB-CD2 3.91Å; I219-L246 HydrophobicContact CD1-CD2 4.15Å; I219-L246 HydrophobicContact CG2-CD2 3.84Å; I219-L246 HydrophobicContact CG2-CG 4.29Å; I219-L249 HydrophobicContact CD1-CD1 3.96Å; I219-L249 HydrophobicContact CG1-CD1 4.41Å; I219-L249 HydrophobicContact CG2-CD1 3.66Å; I219-L255 HydrophobicContact CD1-CD1 4.4Å; I219-L255 HydrophobicContact CD1-CD2 3.97Å
220I92.4Very high87.4Confident4 Ų467.3 Ų67.32%0.02137%0.37CS..  trans-126.9156.9177.260.9170.5000111.2R192 A195 E196 L218 V223 Q228 T242R192-I220 HydrophobicContact CB-CD1 4.18Å; R192-I220 HydrophobicContact CB-CG2 4.45Å; R192-I220 HydrophobicContact CG-CB 4.09Å; R192-I220 HydrophobicContact CG-CD1 4.4Å; R192-I220 HydrophobicContact CG-CG2 4.32Å; A195-I220 HydrophobicContact CB-CG2 3.91Å; E196-I220 HydrophobicContact CG-CD1 4.3Å; L218-I220 HydrophobicContact CD1-CG2 3.91Å; L218-I220 HydrophobicContact CD2-CD1 3.76Å; L218-I220 HydrophobicContact CD2-CG1 4.07Å; L218-I220 HydrophobicContact CG-CD1 4.29Å; L218-I220 HydrophobicContact CG-CG1 4.09Å; L218-I220 HydrophobicContact CG-CG2 4.02Å; I220-V223 HydrophobicContact CD1-CG2 4.26Å; I220-V223 HydrophobicContact CG1-CG2 3.92Å; I220-Q228 PolarHBondContact O-NE2 2.86Å; I220-T242 HydrophobicContact CG2-CG2 3.88Å
221G84.4Confident87.7Confident18 Ų1863 Ų6319%0.18635%0.349CS..THydrogen-bonded Turntrans-69.3158.4171.500000112.4R192 V223R192-G221 VanDerWaalsContact CZ-C 3.42Å; R192-G221 PolarHBondContact NE-O 3.11Å; R192-G221 VanDerWaalsContact NH2-C 3.29Å; R192-G221 PolarHBondContact NH2-O 3.34Å; G221-V223 VanDerWaalsContact C-N 3.29Å; G221-V223 PolarHBondContact O-N 3.07Å
222G77.3Confident88.3Confident67 Ų6755.7 Ų55.769%0.69131%0.31SS*.THydrogen-bonded Turntrans84.9-5.4-179.900000115
223V81.6Confident88.7Confident63 Ų6358.6 Ų58.638%0.38232%0.317SS..SBendtrans-97.7144.2168.6179.90000109I220 G221 A225 Q228I220-V223 HydrophobicContact CD1-CG2 4.26Å; I220-V223 HydrophobicContact CG1-CG2 3.92Å; G221-V223 VanDerWaalsContact C-N 3.29Å; G221-V223 PolarHBondContact O-N 3.07Å; V223-A225 PolarHBondContact O-N 3.15Å; V223-Q228 HydrophobicContact CG1-CG 4.26Å
224A81.1Confident88.7Confident56 Ų5655.4 Ų55.446%0.46331%0.308SS..  trans-61.1128.6178.900000110.6R226 D227A224-R226 PolarHBondContact O-N 3.14Å; A224-D227 PolarHBondContact O-N 3.5Å; A224-D227 VanDerWaalsContact O-N 3.15Å
225A81.1Confident88.6Confident41 Ų4153.5 Ų53.534%0.33930%0.298SS..Hα-helixtrans-58.1-34.6-177.300000112.8V223 D227 Q228 L229 R245V223-A225 PolarHBondContact O-N 3.15Å; A225-D227 VanDerWaalsContact C-N 3.31Å; A225-D227 PolarHBondContact O-N 2.71Å; A225-Q228 PolarHBondContact O-N 2.87Å; A225-L229 VanDerWaalsContact O-CG 3.24Å; A225-L229 WeakPolarHBondContact O-CG 3.06Å; A225-L229 PolarHBondContact O-N 2.83Å; A225-R245 VanDerWaalsContact CA-NH2 3.32Å
226R86.6Confident88.6Confident209 Ų20948.7 Ų48.779%0.78928%0.28SS*.Hα-helixtrans-59.3-40.7179.5-174.8178.4177.3174.7-1.1112.3A224 L229 S230A224-R226 PolarHBondContact O-N 3.14Å; R226-L229 PolarHBondContact O-N 3.24Å; R226-S230 WeakPolarHBondContact O-CB 3.32Å; R226-S230 PolarHBondContact O-N 3.35Å
227D87.4Confident88.6Confident94 Ų9448.7 Ų48.750%0.50328%0.281SS..Hα-helixtrans-67.5-45.2-177.5-58.8-16.3000110.1A224 A225 L229 S230 V231A224-D227 PolarHBondContact O-N 3.5Å; A224-D227 VanDerWaalsContact O-N 3.15Å; A225-D227 VanDerWaalsContact C-N 3.31Å; A225-D227 PolarHBondContact O-N 2.71Å; D227-L229 VanDerWaalsContact C-N 3.34Å; D227-L229 PolarHBondContact O-N 2.91Å; D227-S230 PolarHBondContact O-N 2.83Å; D227-S230 PolarHBondContact O-OG 3.07Å; D227-V231 WeakPolarHBondContact O-CG2 3.43Å; D227-V231 PolarHBondContact O-N 2.83Å
228Q88.3Confident88.6Confident4 Ų449.3 Ų49.32%0.01928%0.284CS..Hα-helixtrans-60.8-42.2175.7-69.1172.7-23.700111.9L218 I220 V223 A225 V231 L232L218-Q228 PolarHBondContact O-NE2 2.83Å; I220-Q228 PolarHBondContact O-NE2 2.86Å; V223-Q228 HydrophobicContact CG1-CG 4.26Å; A225-Q228 PolarHBondContact O-N 2.87Å; Q228-V231 PolarHBondContact O-N 3.04Å; Q228-L232 WeakPolarHBondContact O-CG 3.12Å; Q228-L232 PolarHBondContact O-N 2.96Å; Q228-L232 VanDerWaalsContact O-N 3.12Å
229L88.9Confident88.6Confident36 Ų3647.9 Ų47.919%0.18828%0.276CS..Hα-helixtrans-67.3-41.2179.7-68.9168.5000112.3A225 R226 D227 V231 L232 E233 L249 K254A225-L229 VanDerWaalsContact O-CG 3.24Å; A225-L229 WeakPolarHBondContact O-CG 3.06Å; A225-L229 PolarHBondContact O-N 2.83Å; R226-L229 PolarHBondContact O-N 3.24Å; D227-L229 VanDerWaalsContact C-N 3.34Å; D227-L229 PolarHBondContact O-N 2.91Å; L229-V231 PolarHBondContact O-N 2.9Å; L229-L232 HydrophobicContact CD2-CD1 4.18Å; L229-L232 WeakPolarHBondContact O-CB 3.31Å; L229-L232 PolarHBondContact O-N 2.67Å; L229-L232 VanDerWaalsContact O-N 3.12Å; L229-E233 WeakPolarHBondContact O-CG 3.05Å; L229-E233 PolarHBondContact O-N 3.43Å; L229-L249 HydrophobicContact CD2-CD2 4.33Å; L229-K254 HydrophobicContact CD1-CD 4.16Å; L229-K254 HydrophobicContact CD2-CB 3.76Å; L229-K254 HydrophobicContact CD2-CD 3.61Å; L229-K254 HydrophobicContact CD2-CG 3.89Å
230S89.2Confident88.8Confident49 Ų4947.9 Ų47.934%0.34328%0.276SS..Hα-helixtrans-60.2-33176.674.30000112.5R226 D227 N234R226-S230 WeakPolarHBondContact O-CB 3.32Å; R226-S230 PolarHBondContact O-N 3.35Å; D227-S230 PolarHBondContact O-N 2.83Å; D227-S230 PolarHBondContact O-OG 3.07Å; S230-N234 PolarHBondContact O-ND2 2.85Å
231V89.7Confident89Confident51 Ų5147.7 Ų47.731%0.30928%0.275SS..Hα-helixtrans-73.4-42.7175.7177.40000110.9L217 D227 Q228 L229 E233 N234 G235L217-V231 HydrophobicContact CB-CG1 4.18Å; L217-V231 HydrophobicContact CD1-CB 3.92Å; L217-V231 HydrophobicContact CD1-CG1 3.82Å; L217-V231 HydrophobicContact CD1-CG2 4.28Å; L217-V231 HydrophobicContact CD2-CB 4.4Å; L217-V231 HydrophobicContact CD2-CG1 4.31Å; L217-V231 HydrophobicContact CG-CG1 4.31Å; D227-V231 WeakPolarHBondContact O-CG2 3.43Å; D227-V231 PolarHBondContact O-N 2.83Å; Q228-V231 PolarHBondContact O-N 3.04Å; L229-V231 PolarHBondContact O-N 2.9Å; V231-E233 VanDerWaalsContact C-N 3.31Å; V231-E233 PolarHBondContact O-N 3.02Å; V231-N234 PolarHBondContact O-N 2.93Å; V231-N234 VanDerWaalsContact O-N 3.13Å; V231-G235 PolarHBondContact O-N 3.23Å
232L90.4Very high89.4Confident3 Ų347.5 Ų47.52%0.01627%0.271CS..Hα-helixtrans-59.2-41175.9-73.3170.5000112.1P180 N181 L217 Q228 L229 N234 G235 V236 L249 L255P180-L232 CarbonylContact C-O 3.59Å; P180-L232 VanDerWaalsContact CB-O 3.24Å; P180-L232 WeakPolarHBondContact CB-O 3.47Å; P180-L232 VanDerWaalsContact O-O 3.08Å; N181-L232 HydrophobicContact CB-CB 4.18Å; N181-L232 HydrophobicContact CB-CD2 4.44Å; N181-L232 PolarHBondContact N-O 3.31Å; L217-L232 HydrophobicContact CD2-CD1 4.31Å; L217-L232 HydrophobicContact CD2-CD2 3.66Å; L217-L232 HydrophobicContact CD2-CG 3.58Å; Q228-L232 WeakPolarHBondContact O-CG 3.12Å; Q228-L232 PolarHBondContact O-N 2.96Å; Q228-L232 VanDerWaalsContact O-N 3.12Å; L229-L232 HydrophobicContact CD2-CD1 4.18Å; L229-L232 WeakPolarHBondContact O-CB 3.31Å; L229-L232 PolarHBondContact O-N 2.67Å; L229-L232 VanDerWaalsContact O-N 3.12Å; L232-N234 PolarHBondContact O-N 2.9Å; L232-G235 PolarHBondContact O-N 3.14Å; L232-G235 VanDerWaalsContact O-N 3.16Å; L232-V236 HydrophobicContact CD2-CG1 3.67Å; L232-L249 HydrophobicContact CD1-CD1 4.42Å; L232-L255 HydrophobicContact CD2-CD1 3.88Å
233E87.8Confident90.2Very high143 Ų14344.3 Ų44.367%0.66824%0.238SC*.Hα-helixtrans-60.1-29.4177.3-74.2169.3-175.600112.7P180 L229 V231P180-E233 WeakPolarHBondContact CB-O 3.1Å; L229-E233 WeakPolarHBondContact O-CG 3.05Å; L229-E233 PolarHBondContact O-N 3.43Å; V231-E233 VanDerWaalsContact C-N 3.31Å; V231-E233 PolarHBondContact O-N 3.02Å
234N87.8Confident90.7Very high109 Ų10943.6 Ų43.658%0.58324%0.243SC*.THydrogen-bonded Turntrans-90.6-4.8-179.2-72.4-60.9000114.1R215 S230 V231 L232R215-N234 PolarHBondContact NH1-O 3.19Å; R215-N234 VanDerWaalsContact NH1-O 3.12Å; R215-N234 VanDerWaalsContact NH2-C 3.3Å; R215-N234 PolarHBondContact NH2-O 3.24Å; R215-N234 VanDerWaalsContact NH2-O 3.08Å; S230-N234 PolarHBondContact O-ND2 2.85Å; V231-N234 PolarHBondContact O-N 2.93Å; V231-N234 VanDerWaalsContact O-N 3.13Å; L232-N234 PolarHBondContact O-N 2.9Å
235G89.7Confident91.2Very high0 Ų042.7 Ų42.70%023%0.227CC..  trans107.2137.2-178.600000113.5P180 R215 V231 L232P180-G235 CarbonylContact O-C 3.52Å; P180-G235 WeakPolarHBondContact O-CA 3.44Å; R215-G235 VanDerWaalsContact CZ-O 3.24Å; R215-G235 PolarHBondContact NE-O 2.85Å; R215-G235 PolarHBondContact NH2-O 3.37Å; V231-G235 PolarHBondContact O-N 3.23Å; L232-G235 PolarHBondContact O-N 3.14Å; L232-G235 VanDerWaalsContact O-N 3.16Å
236V94Very high91.9Very high1 Ų140.8 Ų40.81%0.00621%0.212CC..  trans-141.9140170.767.30000110.8P180 P183 L217 L232 I238 V239P180-V236 PolarHBondContact O-N 2.87Å; P183-V236 WeakPolarHBondContact CA-O 3.45Å; P183-V236 HydrophobicContact CB-CG1 4.16Å; L217-V236 HydrophobicContact CB-CG2 3.74Å; L232-V236 HydrophobicContact CD2-CG1 3.67Å; V236-I238 VanDerWaalsContact CG2-O 3.23Å; V236-I238 WeakPolarHBondContact CG2-O 3.23Å; V236-V239 HydrophobicContact CG1-CG2 3.94Å; V236-V239 HydrophobicContact CG2-CG2 3.92Å
237D93.7Very high92.2Very high28 Ų2833 Ų3315%0.1519%0.185CC..SBendtrans-100.5-38.7175.7-57.6-67.2000111.6P183 K184 A185 L214 R215P183-D237 WeakPolarHBondContact CB-O 3.46Å; K184-D237 PolarHBondContact N-O 2.88Å; A185-D237 PolarHBondContact N-O 2.76Å; A185-D237 VanDerWaalsContact N-O 3.07Å; L214-D237 HydrophobicContact CD2-CB 4.42Å; R215-D237 WeakPolarHBondContact CB-OD2 3.38Å; R215-D237 PolarHBondContact N-OD2 3.5Å; R215-D237 WeakPolarHBondContact O-CA 3.35Å; R215-D237 WeakPolarHBondContact O-CB 3.43Å; R215-D237 PolarHBondContact O-N 2.92Å
238I96.6Very high92.3Very high29 Ų2931.5 Ų31.515%0.14918%0.178CC..EExtended strand (participates in β ladder)trans-126.5124.7-177.2-52.1177.8000109.9A185 I187 I202 L214 R215 E216 L217 V236 V240A185-I238 HydrophobicContact CB-CG1 4.25Å; A185-I238 HydrophobicContact CB-CG2 4.22Å; I187-I238 HydrophobicContact CD1-CG2 4.2Å; I202-I238 HydrophobicContact CD1-CG2 4.03Å; I202-I238 HydrophobicContact CG2-CD1 4.15Å; L214-I238 HydrophobicContact CD1-CD1 4.45Å; R215-I238 PolarHBondContact O-N 2.75Å; E216-I238 CarbonylContact C-O 3.51Å; E216-I238 WeakPolarHBondContact CA-O 3.45Å; E216-I238 HydrophobicContact CB-CB 4.39Å; L217-I238 PolarHBondContact N-O 2.68Å; V236-I238 VanDerWaalsContact CG2-O 3.23Å; V236-I238 WeakPolarHBondContact CG2-O 3.23Å; I238-V240 HydrophobicContact CG2-CG2 4.5Å
239V97.9Very high92.5Very high0 Ų031.3 Ų31.30%018%0.177CC..EExtended strand (participates in β ladder)trans-109.3128.4171.1167.10000109.2P183 A185 L186 I187 I219 V236 L246 L255P183-V239 HydrophobicContact CB-CB 4.33Å; P183-V239 HydrophobicContact CB-CG2 3.87Å; P183-V239 HydrophobicContact CG-CB 4.16Å; P183-V239 HydrophobicContact CG-CG2 3.76Å; A185-V239 PolarHBondContact O-N 3.45Å; L186-V239 WeakPolarHBondContact CA-O 3.37Å; L186-V239 HydrophobicContact CD1-CB 3.92Å; L186-V239 HydrophobicContact CD1-CG1 3.58Å; I187-V239 PolarHBondContact N-O 3.32Å; I219-V239 HydrophobicContact CB-CG1 4.36Å; I219-V239 HydrophobicContact CD1-CG1 3.48Å; I219-V239 VanDerWaalsContact CD1-CG1 3.48Å; I219-V239 HydrophobicContact CD1-CG2 4.17Å; I219-V239 HydrophobicContact CG1-CG1 3.91Å; V236-V239 HydrophobicContact CG1-CG2 3.94Å; V236-V239 HydrophobicContact CG2-CG2 3.92Å; V239-L246 HydrophobicContact CG1-CD2 3.83Å; V239-L255 HydrophobicContact CG1-CD2 4.37Å; V239-L255 HydrophobicContact CG2-CD1 4.1Å
240V98.1Very high92.5Very high0 Ų030.1 Ų30.10%017%0.171CC..EExtended strand (participates in β ladder)trans-111.7131.6167.4-1720000107.5I187 E189 A195 T198 L199 I202 L217 L218 I219 I238I187-V240 HydrophobicContact CB-CG1 4.41Å; I187-V240 HydrophobicContact CB-CG2 4.3Å; I187-V240 HydrophobicContact CD1-CG2 4.2Å; I187-V240 HydrophobicContact CG2-CG1 4.44Å; I187-V240 WeakPolarHBondContact O-CA 3.28Å; E189-V240 HydrophobicContact CG-CG1 3.87Å; A195-V240 HydrophobicContact CB-CG1 4.01Å; A195-V240 WeakPolarHBondContact O-CG1 3.23Å; T198-V240 HydrophobicContact CG2-CG1 4.07Å; T198-V240 HydrophobicContact CG2-CG2 4.25Å; L199-V240 HydrophobicContact CB-CG2 4.39Å; L199-V240 HydrophobicContact CD1-CB 4.14Å; L199-V240 HydrophobicContact CD1-CG2 3.89Å; I202-V240 HydrophobicContact CD1-CG2 3.47Å; I202-V240 VanDerWaalsContact CD1-CG2 3.47Å; L217-V240 PolarHBondContact O-N 2.87Å; L218-V240 CarbonylContact C-O 3.6Å; L218-V240 WeakPolarHBondContact CA-O 3.44Å; L218-V240 HydrophobicContact CD1-CB 4.35Å; L218-V240 HydrophobicContact CD1-CG1 4.44Å; I219-V240 PolarHBondContact N-O 3.35Å; I238-V240 HydrophobicContact CG2-CG2 4.5Å
241G96.5Very high92.4Very high0 Ų031.8 Ų31.80%018%0.182CC..EExtended strand (participates in β ladder)trans-165.5168.5-179.400000116.3I187 V188 E189 I219 L246I187-G241 PolarHBondContact O-N 2.91Å; V188-G241 WeakPolarHBondContact CA-O 3.29Å; E189-G241 PolarHBondContact N-O 2.78Å; I219-G241 CarbonylContact O-C 3.56Å; I219-G241 WeakPolarHBondContact O-CA 3.46Å; G241-L246 WeakPolarHBondContact O-CD1 3.28Å
242T94.7Very high92.1Very high14 Ų1432.6 Ų32.69%0.08619%0.188CC..  trans-95.5142.2176.954.70000111.2E189 S191 R192 A195 I219 I220 G244 R245 L246E189-T242 WeakPolarHBondContact O-CA 3.24Å; S191-T242 VanDerWaalsContact C-CG2 3.49Å; S191-T242 WeakPolarHBondContact O-CG2 3.17Å; R192-T242 HydrophobicContact CG-CG2 4.15Å; A195-T242 HydrophobicContact CB-CG2 4.43Å; I219-T242 PolarHBondContact O-N 3.21Å; I220-T242 HydrophobicContact CG2-CG2 3.88Å; T242-G244 PolarHBondContact O-N 3.15Å; T242-R245 PolarHBondContact O-N 3.48Å; T242-R245 VanDerWaalsContact O-N 3.13Å; T242-L246 PolarHBondContact O-N 3.31Å; T242-L246 VanDerWaalsContact O-N 3.1Å
243P94.1Very high91.8Very high1 Ų134.9 Ų34.91%0.00621%0.212CC..Hα-helixtrans-44.1-53.3-174.2-35.336.2000115.6V188 E189 R245 L246 D247 L271 Y276 F279V188-P243 HydrophobicContact CG1-CG 3.89Å; E189-P243 WeakPolarHBondContact O-CD 3.38Å; P243-R245 VanDerWaalsContact C-N 3.31Å; P243-R245 PolarHBondContact O-N 2.91Å; P243-L246 PolarHBondContact O-N 2.8Å; P243-D247 WeakPolarHBondContact O-CB 3.29Å; P243-D247 PolarHBondContact O-N 2.92Å; P243-L271 HydrophobicContact CG-CD2 3.47Å; P243-L271 VanDerWaalsContact CG-CD2 3.47Å; P243-Y276 HydrophobicContact CB-CD1 3.44Å; P243-Y276 VanDerWaalsContact CB-CD1 3.44Å; P243-Y276 HydrophobicContact CB-CD2 3.96Å; P243-Y276 HydrophobicContact CB-CE1 3.65Å; P243-Y276 HydrophobicContact CB-CE2 4.12Å; P243-Y276 HydrophobicContact CB-CG 3.61Å; P243-Y276 HydrophobicContact CG-CD1 4.12Å; P243-Y276 HydrophobicContact CG-CD2 3.7Å; P243-Y276 HydrophobicContact CG-CE1 4.41Å; P243-Y276 HydrophobicContact CG-CE2 4Å; P243-Y276 HydrophobicContact CG-CG 3.76Å; P243-F279 HydrophobicContact CB-CD1 3.59Å; P243-F279 HydrophobicContact CB-CE1 3.66Å; P243-F279 HydrophobicContact CB-CG 4.22Å; P243-F279 HydrophobicContact CB-CZ 4.34Å; P243-F279 HydrophobicContact CG-CD1 4.13Å; P243-F279 HydrophobicContact CG-CE1 4.01Å
244G90.4Very high91.9Very high47 Ų4732.3 Ų32.349%0.48520%0.198SC..Hα-helixtrans-61.1-35.4-174.300000114.2T242T242-G244 PolarHBondContact O-N 3.15Å
245R92.1Very high92.2Very high37 Ų3727.2 Ų27.214%0.1417%0.171CC..Hα-helixtrans-81.9-35.3178-171.468.7-179.5138.113.6111.9I219 A225 T242 P243 D248 L249I219-R245 HydrophobicContact CG2-CB 4Å; I219-R245 HydrophobicContact CG2-CG 3.45Å; I219-R245 VanDerWaalsContact CG2-CG 3.45Å; A225-R245 VanDerWaalsContact CA-NH2 3.32Å; T242-R245 PolarHBondContact O-N 3.48Å; T242-R245 VanDerWaalsContact O-N 3.13Å; P243-R245 VanDerWaalsContact C-N 3.31Å; P243-R245 PolarHBondContact O-N 2.91Å; R245-D248 IonicContact CZ-OD2 3.06Å; R245-D248 IonicContact NH1-OD2 3.01Å; R245-D248 PolarHBondContact NH1-OD2 2.84Å; R245-L249 PolarHBondContact O-N 3.33Å
246L95.5Very high92.1Very high1 Ų129.9 Ų29.91%0.00519%0.185CC..Hα-helixtrans-62.3-46.7173.8-72.2172.2000110.9L186 V188 I219 V239 G241 T242 P243 D248 L249 V250 L255 F279L186-L246 HydrophobicContact CD1-CD1 4.28Å; L186-L246 HydrophobicContact CD1-CD2 3.93Å; V188-L246 HydrophobicContact CG1-CD1 4.34Å; V188-L246 HydrophobicContact CG2-CD1 3.93Å; I219-L246 HydrophobicContact CB-CD2 3.91Å; I219-L246 HydrophobicContact CD1-CD2 4.15Å; I219-L246 HydrophobicContact CG2-CD2 3.84Å; I219-L246 HydrophobicContact CG2-CG 4.29Å; V239-L246 HydrophobicContact CG1-CD2 3.83Å; G241-L246 WeakPolarHBondContact O-CD1 3.28Å; T242-L246 PolarHBondContact O-N 3.31Å; T242-L246 VanDerWaalsContact O-N 3.1Å; P243-L246 PolarHBondContact O-N 2.8Å; L246-D248 VanDerWaalsContact C-N 3.33Å; L246-D248 PolarHBondContact O-N 2.93Å; L246-L249 PolarHBondContact O-N 3.43Å; L246-V250 WeakPolarHBondContact O-CB 3.3Å; L246-V250 VanDerWaalsContact O-CG2 3.27Å; L246-V250 WeakPolarHBondContact O-CG2 3.35Å; L246-V250 PolarHBondContact O-N 3.39Å; L246-L255 HydrophobicContact CD2-CD2 3.93Å; L246-F279 HydrophobicContact CB-CE2 4.1Å; L246-F279 HydrophobicContact CB-CZ 3.76Å; L246-F279 HydrophobicContact CD1-CZ 4.24Å
247D93.2Very high91.8Very high45 Ų4530 Ų3024%0.24119%0.186CC..Hα-helixtrans-58.7-42.9-179.9-158.127.5000111.7P243 S251 F279 R282P243-D247 WeakPolarHBondContact O-CB 3.29Å; P243-D247 PolarHBondContact O-N 2.92Å; D247-S251 WeakPolarHBondContact O-CB 3.05Å; D247-S251 PolarHBondContact O-N 3.29Å; D247-S251 PolarHBondContact O-OG 3.25Å; D247-F279 HydrophobicContact CB-CD2 3.52Å; D247-F279 HydrophobicContact CB-CE2 3.71Å; D247-R282 IonicContact OD1-NE 3.5Å; D247-R282 IonicContact OD1-NH2 3.14Å; D247-R282 PolarHBondContact OD1-NH2 2.91Å; D247-R282 IonicContact OD2-CZ 3.25Å; D247-R282 IonicContact OD2-NH2 2.7Å; D247-R282 PolarHBondContact OD2-NH2 3.18Å
248D90.4Very high91.2Very high64 Ų6430.9 Ų30.934%0.34219%0.194SC..Hα-helixtrans-60-49174.9176.646.5000112.2R245 L246 S251 T252R245-D248 IonicContact CZ-OD2 3.06Å; R245-D248 IonicContact NH1-OD2 3.01Å; R245-D248 PolarHBondContact NH1-OD2 2.84Å; L246-D248 VanDerWaalsContact C-N 3.33Å; L246-D248 PolarHBondContact O-N 2.93Å; D248-S251 PolarHBondContact O-OG 3.01Å; D248-S251 VanDerWaalsContact O-OG 3.13Å; D248-T252 WeakPolarHBondContact O-CB 3.48Å; D248-T252 VanDerWaalsContact O-CG2 3.31Å; D248-T252 WeakPolarHBondContact O-CG2 3.4Å; D248-T252 PolarHBondContact O-N 3.43Å; D248-T252 VanDerWaalsContact O-N 3.1Å; D248-T252 PolarHBondContact O-OG1 3.41Å
249L90.9Very high90.6Very high0 Ų030.4 Ų30.40%019%0.191CC..Hα-helixtrans-72.2-32.6-177.7-66.3-174.9000113.2I219 L229 L232 R245 L246 T252 G253 K254 L255I219-L249 HydrophobicContact CD1-CD1 3.96Å; I219-L249 HydrophobicContact CG1-CD1 4.41Å; I219-L249 HydrophobicContact CG2-CD1 3.66Å; L229-L249 HydrophobicContact CD2-CD2 4.33Å; L232-L249 HydrophobicContact CD1-CD1 4.42Å; R245-L249 PolarHBondContact O-N 3.33Å; L246-L249 PolarHBondContact O-N 3.43Å; L249-T252 PolarHBondContact O-OG1 3.38Å; L249-G253 PolarHBondContact O-N 3.16Å; L249-K254 HydrophobicContact CB-CB 4.43Å; L249-K254 HydrophobicContact CD2-CB 4.04Å; L249-K254 HydrophobicContact CD2-CD 3.86Å; L249-K254 WeakPolarHBondContact O-CA 3.42Å; L249-K254 PolarHBondContact O-N 2.98Å; L249-L255 HydrophobicContact CB-CB 3.95Å; L249-L255 PolarHBondContact O-N 2.68Å
250V90.8Very high90.2Very high11 Ų1130.4 Ų30.47%0.06719%0.191CC..Hα-helixtrans-71.5-49.9175.4171.60000110.4L246 T252 G253 L255 L257L246-V250 WeakPolarHBondContact O-CB 3.3Å; L246-V250 VanDerWaalsContact O-CG2 3.27Å; L246-V250 WeakPolarHBondContact O-CG2 3.35Å; L246-V250 PolarHBondContact O-N 3.39Å; V250-T252 VanDerWaalsContact C-N 3.26Å; V250-T252 PolarHBondContact O-N 2.94Å; V250-G253 PolarHBondContact O-N 3.48Å; V250-L255 HydrophobicContact CG2-CB 4.21Å; V250-L255 HydrophobicContact CG2-CD2 3.9Å; V250-L255 HydrophobicContact CG2-CG 4.26Å; V250-L257 HydrophobicContact CG1-CD1 3.74Å; V250-L257 HydrophobicContact CG1-CG 4.2Å; V250-L257 HydrophobicContact CG2-CD1 3.99Å; V250-L257 HydrophobicContact CG2-CD2 4.01Å; V250-L257 HydrophobicContact CG2-CG 4.07Å
251S85.3Confident89.8Confident83 Ų8332.6 Ų32.658%0.5820%0.2SC*.Hα-helixtrans-63.4-30.7-178.660.30000113.2D247 D248 G253D247-S251 WeakPolarHBondContact O-CB 3.05Å; D247-S251 PolarHBondContact O-N 3.29Å; D247-S251 PolarHBondContact O-OG 3.25Å; D248-S251 PolarHBondContact O-OG 3.01Å; D248-S251 VanDerWaalsContact O-OG 3.13Å; S251-G253 VanDerWaalsContact C-N 3.3Å
252T85.3Confident89.7Confident69 Ų6937.1 Ų37.142%0.42322%0.219SC..THydrogen-bonded Turntrans-85.12.2174.657.30000113.9D248 L249 V250 K254D248-T252 WeakPolarHBondContact O-CB 3.48Å; D248-T252 VanDerWaalsContact O-CG2 3.31Å; D248-T252 WeakPolarHBondContact O-CG2 3.4Å; D248-T252 PolarHBondContact O-N 3.43Å; D248-T252 VanDerWaalsContact O-N 3.1Å; D248-T252 PolarHBondContact O-OG1 3.41Å; L249-T252 PolarHBondContact O-OG1 3.38Å; V250-T252 VanDerWaalsContact C-N 3.26Å; V250-T252 PolarHBondContact O-N 2.94Å; T252-K254 PolarHBondContact O-N 3.21Å; T252-K254 WeakPolarHBondContact OG1-CD 3.33Å
253G83.9Confident89.8Confident50 Ų5036.4 Ų36.452%0.51522%0.215SC..THydrogen-bonded Turntrans70.67.9-179.800000114.9L249 V250 S251L249-G253 PolarHBondContact O-N 3.16Å; V250-G253 PolarHBondContact O-N 3.48Å; S251-G253 VanDerWaalsContact C-N 3.3Å
254K89.4Confident90Very high89 Ų8937.6 Ų37.639%0.38722%0.222SC..SBendtrans-74-33.4179.7-70.1173.2177.5178.50111.8N181 L229 L249 T252N181-K254 WeakPolarHBondContact CB-O 3.44Å; N181-K254 PolarHBondContact ND2-O 2.99Å; L229-K254 HydrophobicContact CD1-CD 4.16Å; L229-K254 HydrophobicContact CD2-CB 3.76Å; L229-K254 HydrophobicContact CD2-CD 3.61Å; L229-K254 HydrophobicContact CD2-CG 3.89Å; L249-K254 HydrophobicContact CB-CB 4.43Å; L249-K254 HydrophobicContact CD2-CB 4.04Å; L249-K254 HydrophobicContact CD2-CD 3.86Å; L249-K254 WeakPolarHBondContact O-CA 3.42Å; L249-K254 PolarHBondContact O-N 2.98Å; T252-K254 PolarHBondContact O-N 3.21Å; T252-K254 WeakPolarHBondContact OG1-CD 3.33Å
255L93Very high90.4Very high3 Ų335.3 Ų35.32%0.01620%0.199CC..SBendtrans-109.2120.1169.3-178.966.3000109.1P183 I219 L232 V239 L246 L249 V250 L257P183-L255 HydrophobicContact CG-CD1 4.02Å; I219-L255 HydrophobicContact CD1-CD1 4.4Å; I219-L255 HydrophobicContact CD1-CD2 3.97Å; L232-L255 HydrophobicContact CD2-CD1 3.88Å; V239-L255 HydrophobicContact CG1-CD2 4.37Å; V239-L255 HydrophobicContact CG2-CD1 4.1Å; L246-L255 HydrophobicContact CD2-CD2 3.93Å; L249-L255 HydrophobicContact CB-CB 3.95Å; L249-L255 PolarHBondContact O-N 2.68Å; V250-L255 HydrophobicContact CG2-CB 4.21Å; V250-L255 HydrophobicContact CG2-CD2 3.9Å; V250-L255 HydrophobicContact CG2-CG 4.26Å; L255-L257 HydrophobicContact CD2-CD2 4.37Å; L255-L257 HydrophobicContact CG-CD2 4.33Å
256N87.8Confident90.5Very high55 Ų5535.6 Ų35.629%0.29420%0.204SC..  trans-101.2124.6-176.4-173.4-31.8000110.8N181 A182 S258N181-N256 PolarHBondContact O-N 3.08Å; A182-N256 VanDerWaalsContact CA-O 3.26Å; A182-N256 WeakPolarHBondContact CA-O 3.39Å; A182-N256 HydrophobicContact CB-CB 4.07Å; N256-S258 WeakPolarHBondContact OD1-CB 3.27Å; N256-S258 PolarHBondContact OD1-N 2.95Å; N256-S258 PolarHBondContact OD1-OG 3.07Å
257L88.5Confident90.2Very high5 Ų537.6 Ų37.63%0.02621%0.213CC..  trans-90.4-0.7-175.7-57.6-175.9000114.4L186 V250 L255 Q259 V260 M283 Q286 I287 P288L186-L257 HydrophobicContact CD2-CD2 3.84Å; V250-L257 HydrophobicContact CG1-CD1 3.74Å; V250-L257 HydrophobicContact CG1-CG 4.2Å; V250-L257 HydrophobicContact CG2-CD1 3.99Å; V250-L257 HydrophobicContact CG2-CD2 4.01Å; V250-L257 HydrophobicContact CG2-CG 4.07Å; L255-L257 HydrophobicContact CD2-CD2 4.37Å; L255-L257 HydrophobicContact CG-CD2 4.33Å; L257-Q259 PolarHBondContact O-N 3.32Å; L257-Q259 VanDerWaalsContact O-N 3.16Å; L257-V260 HydrophobicContact CB-CG2 4.39Å; L257-V260 HydrophobicContact CD2-CG2 4.14Å; L257-V260 WeakPolarHBondContact O-CB 3.36Å; L257-V260 PolarHBondContact O-N 3.18Å; L257-V260 VanDerWaalsContact O-N 3.15Å; L257-M283 HydrophobicContact CD1-CB 4.45Å; L257-M283 HydrophobicContact CD1-CG 3.73Å; L257-Q286 HydrophobicContact CD1-CB 4.15Å; L257-I287 HydrophobicContact CB-CG1 3.89Å; L257-I287 HydrophobicContact CD1-CG1 4.1Å; L257-P288 WeakPolarHBondContact O-CD 3.49Å
258S81.1Confident90.1Very high46 Ų4635.5 Ų35.532%0.32220%0.201SC..THydrogen-bonded Turntrans-62.9-22.9-174.960.50000114.9N256 R261 P288N256-S258 WeakPolarHBondContact OD1-CB 3.27Å; N256-S258 PolarHBondContact OD1-N 2.95Å; N256-S258 PolarHBondContact OD1-OG 3.07Å; S258-R261 PolarHBondContact O-NH1 3.2Å; S258-P288 WeakPolarHBondContact O-CG 3.14Å
259Q84.2Confident89.9Confident18 Ų1833.5 Ų33.58%0.08419%0.191CC..THydrogen-bonded Turntrans-101.4-0.3179.9-60.9-166.1-3.200113.7K177 A182 P183 L257 R261K177-Q259 PolarHBondContact O-NE2 3.36Å; A182-Q259 HydrophobicContact CB-CB 3.79Å; A182-Q259 HydrophobicContact CB-CG 3.68Å; A182-Q259 PolarHBondContact O-OE1 2.91Å; P183-Q259 CarbonylContact O-C 3.56Å; L257-Q259 PolarHBondContact O-N 3.32Å; L257-Q259 VanDerWaalsContact O-N 3.16Å; Q259-R261 PolarHBondContact O-N 3.39Å
260V89.7Confident89.6Confident0 Ų033.5 Ų33.50%019%0.191CC..  trans-65.2132.3178.4176.60000109.7P183 L186 L257 F262 I287 L297P183-V260 HydrophobicContact CG-CG2 4.27Å; P183-V260 WeakPolarHBondContact O-CA 3.43Å; P183-V260 WeakPolarHBondContact O-CG2 3.45Å; P183-V260 PolarHBondContact O-N 3.32Å; P183-V260 VanDerWaalsContact O-N 3.16Å; L186-V260 HydrophobicContact CB-CG1 4.25Å; L186-V260 HydrophobicContact CB-CG2 4.32Å; L257-V260 HydrophobicContact CB-CG2 4.39Å; L257-V260 HydrophobicContact CD2-CG2 4.14Å; L257-V260 WeakPolarHBondContact O-CB 3.36Å; L257-V260 PolarHBondContact O-N 3.18Å; L257-V260 VanDerWaalsContact O-N 3.15Å; V260-F262 WeakPolarHBondContact CG1-O 3.46Å; V260-I287 HydrophobicContact CB-CG1 4.25Å; V260-I287 HydrophobicContact CB-CG2 3.94Å; V260-I287 HydrophobicContact CG1-CD1 4.08Å; V260-I287 HydrophobicContact CG1-CG1 4.34Å; V260-I287 HydrophobicContact CG1-CG2 4.05Å; V260-L297 HydrophobicContact CG1-CD1 4.22Å
261R89.4Confident89.6Confident47 Ų4733 Ų3318%0.17719%0.188CC..  trans-124.5-22.2177.3-59.7-59.8175.5-107.87.4112.5K184 S258 Q259 Q298K184-R261 PolarHBondContact O-N 2.96Å; S258-R261 PolarHBondContact O-NH1 3.2Å; Q259-R261 PolarHBondContact O-N 3.39Å; R261-Q298 PolarHBondContact O-N 3.45Å
262F95Very high89.8Confident94 Ų9430.1 Ų30.141%0.41217%0.166SC..EExtended strand (participates in β ladder)trans-124.7118.8176-55.6-88.8000108.6K184 A185 L186 V260 Q298K184-F262 PolarHBondContact O-N 3.32Å; K184-F262 VanDerWaalsContact O-N 3.15Å; A185-F262 WeakPolarHBondContact CA-O 3.18Å; A185-F262 HydrophobicContact CB-CB 4.03Å; L186-F262 PolarHBondContact N-O 2.66Å; V260-F262 WeakPolarHBondContact CG1-O 3.46Å; F262-Q298 WeakPolarHBondContact CA-O 3.47Å; F262-Q298 HydrophobicContact CD1-CB 4Å; F262-Q298 HydrophobicContact CD1-CG 4.47Å; F262-Q298 HydrophobicContact CE1-CB 4.34Å
263L97Very high89.6Confident0 Ų028.9 Ų28.90%016%0.16CC..EExtended strand (participates in β ladder)trans-111.1120.1170.2176.164000108.2L186 V188 L265 M283 I287 L297 Q298 V299 I300L186-L263 HydrophobicContact CB-CD1 4.36Å; L186-L263 HydrophobicContact CD2-CD1 4.23Å; L186-L263 HydrophobicContact CG-CD1 4.28Å; L186-L263 WeakPolarHBondContact O-CA 3.48Å; V188-L263 HydrophobicContact CG2-CD1 4.41Å; L263-L265 HydrophobicContact CD1-CD2 4.18Å; L263-L265 HydrophobicContact CG-CD2 4.32Å; L263-M283 HydrophobicContact CD1-CE 4.03Å; L263-M283 HydrophobicContact CD1-SD 4.16Å; L263-I287 HydrophobicContact CB-CD1 4.45Å; L263-I287 HydrophobicContact CD1-CD1 4.17Å; L263-I287 HydrophobicContact CD2-CD1 4.01Å; L263-I287 HydrophobicContact CG-CD1 4.45Å; L263-L297 HydrophobicContact CB-CD1 4.27Å; L263-Q298 PolarHBondContact N-O 2.82Å; L263-V299 HydrophobicContact CB-CG2 4.4Å; L263-V299 HydrophobicContact CD2-CG1 4.42Å; L263-V299 CarbonylContact O-C 3.47Å; L263-V299 VanDerWaalsContact O-CA 3.29Å; L263-V299 WeakPolarHBondContact O-CA 3.37Å; L263-I300 PolarHBondContact O-N 3.21Å
264V98Very high89.6Confident25 Ų2529 Ų2915%0.15215%0.147CC..EExtended strand (participates in β ladder)trans-114.6125.3176.8-173.80000108.5L186 I187 V188 I300L186-V264 PolarHBondContact O-N 2.78Å; I187-V264 HydrophobicContact CB-CB 4.29Å; I187-V264 HydrophobicContact CG1-CB 3.99Å; I187-V264 HydrophobicContact CG1-CG2 4.06Å; I187-V264 HydrophobicContact CG2-CB 4.1Å; I187-V264 HydrophobicContact CG2-CG1 4.23Å; V188-V264 PolarHBondContact N-O 3.41Å; V264-I300 CarbonylContact C-O 3.55Å; V264-I300 WeakPolarHBondContact CA-O 3.29Å; V264-I300 HydrophobicContact CG1-CB 4.29Å; V264-I300 HydrophobicContact CG1-CG2 4.41Å; V264-I300 HydrophobicContact CG2-CB 4.25Å; V264-I300 HydrophobicContact CG2-CD1 4.29Å
265L97.4Very high89.4Confident0 Ų027.4 Ų27.40%016%0.156CC..EExtended strand (participates in β ladder)trans-109.1103.7169.7-53.8-176.4000107.2V188 L263 L271 I280 M283 I300 V301 C302 L314 I318V188-L265 HydrophobicContact CB-CD2 3.87Å; V188-L265 HydrophobicContact CG2-CD2 4.03Å; L263-L265 HydrophobicContact CD1-CD2 4.18Å; L263-L265 HydrophobicContact CG-CD2 4.32Å; L265-L271 HydrophobicContact CB-CD1 4.24Å; L265-I280 HydrophobicContact CD1-CD1 4.35Å; L265-I280 HydrophobicContact CD1-CG2 3.65Å; L265-I280 HydrophobicContact CD2-CG2 4.42Å; L265-M283 HydrophobicContact CD2-CE 4.22Å; L265-I300 PolarHBondContact N-O 3.26Å; L265-V301 HydrophobicContact CB-CG2 4.41Å; L265-V301 HydrophobicContact CD1-CG2 4.29Å; L265-V301 WeakPolarHBondContact O-CA 3.36Å; L265-C302 PolarHBondContact O-N 3.29Å; L265-L314 HydrophobicContact CD1-CD2 3.95Å; L265-I318 HydrophobicContact CD1-CD1 3.44Å; L265-I318 VanDerWaalsContact CD1-CD1 3.44Å
266D94.3Very high89.4Confident43 Ų4330.6 Ų30.623%0.2317%0.168CC..SBendtrans-93.8150.7176.8-162.18.2000110.6V188 E189 P190 A268 L271 C302V188-D266 PolarHBondContact O-N 2.96Å; E189-D266 WeakPolarHBondContact OE2-CB 3.41Å; P190-D266 WeakPolarHBondContact CD-O 3.5Å; D266-A268 VanDerWaalsContact C-N 3.3Å; D266-A268 PolarHBondContact O-N 2.97Å; D266-L271 WeakPolarHBondContact O-CD1 3.27Å; D266-C302 WeakPolarHBondContact OD1-CB 3.33Å
267E89.8Confident89.5Confident43 Ų4330 Ų3020%0.20117%0.169CC..SBendtrans41.255.9-170.1-75.6-168.4-171.300111.9P190 L194 D269 G270 L271 C302 G474P190-E267 HydrophobicContact CG-CB 3.6Å; P190-E267 HydrophobicContact CG-CG 4.41Å; P190-E267 WeakPolarHBondContact CG-OE2 3.5Å; L194-E267 HydrophobicContact CD2-CB 4.35Å; L194-E267 HydrophobicContact CD2-CG 3.8Å; E267-D269 VanDerWaalsContact C-N 3.3Å; E267-D269 VanDerWaalsContact C-OD1 3.25Å; E267-D269 PolarHBondContact O-N 2.85Å; E267-G270 CarbonylContact O-C 3.48Å; E267-G270 VanDerWaalsContact O-CA 3.25Å; E267-G270 WeakPolarHBondContact O-CA 3.29Å; E267-G270 PolarHBondContact O-N 2.87Å; E267-L271 PolarHBondContact O-N 3.04Å; E267-C302 PolarHBondContact N-O 3.4Å; E267-G474 PolarHBondContact OE1-N 2.85Å; E267-G474 VanDerWaalsContact OE1-N 3.15Å
268A91.8Very high89.6Confident0 Ų035 Ų350%020%0.195CC..Hα-helixtrans-62.4-32.9-170.800000113.8D266 G270 L271 L272 V301 C302D266-A268 VanDerWaalsContact C-N 3.3Å; D266-A268 PolarHBondContact O-N 2.97Å; A268-G270 VanDerWaalsContact C-N 3.34Å; A268-L271 WeakPolarHBondContact O-CB 3.36Å; A268-L271 PolarHBondContact O-N 3.24Å; A268-L272 WeakPolarHBondContact O-CB 3.27Å; A268-L272 WeakPolarHBondContact O-CG 3.33Å; A268-L272 PolarHBondContact O-N 2.99Å; A268-V301 HydrophobicContact CB-CG1 3.59Å; A268-C302 PolarHBondContact N-O 2.84Å
269D86.3Confident90.1Very high22 Ų2233.2 Ų33.212%0.11818%0.182CC..Hα-helixtrans-58.6-43166.856.3-18000112.5E267 L271 L272 S273 S303 T305 V311 H497E267-D269 VanDerWaalsContact C-N 3.3Å; E267-D269 VanDerWaalsContact C-OD1 3.25Å; E267-D269 PolarHBondContact O-N 2.85Å; D269-L271 VanDerWaalsContact C-N 3.34Å; D269-L271 PolarHBondContact O-N 3.13Å; D269-L272 PolarHBondContact O-N 3.05Å; D269-S273 WeakPolarHBondContact O-CB 3.35Å; D269-S273 PolarHBondContact O-N 2.93Å; D269-S273 PolarHBondContact O-OG 3.46Å; D269-S303 WeakPolarHBondContact CB-OG 3.4Å; D269-T305 WeakPolarHBondContact CB-OG1 3.38Å; D269-V311 HydrophobicContact CB-CG2 4.11Å; D269-H497 IonicContact OD2-CE1 2.73Å; D269-H497 PolarHBondContact OD2-CE1 2.75Å
270G83.6Confident90.6Very high0 Ų032.3 Ų32.30%018%0.178CC..Hα-helixtrans-62-36.2172.100000113.6E267 A268 S273 Q274E267-G270 CarbonylContact O-C 3.48Å; E267-G270 VanDerWaalsContact O-CA 3.25Å; E267-G270 WeakPolarHBondContact O-CA 3.29Å; E267-G270 PolarHBondContact O-N 2.87Å; A268-G270 VanDerWaalsContact C-N 3.34Å; G270-S273 WeakPolarHBondContact CA-OG 3.4Å; G270-S273 PolarHBondContact O-OG 2.83Å; G270-Q274 VanDerWaalsContact O-CG 3.31Å; G270-Q274 WeakPolarHBondContact O-CG 3.33Å; G270-Q274 PolarHBondContact O-NE2 3.22Å
271L90.3Very high90.6Very high0 Ų033.6 Ų33.60%019%0.185CC..Hα-helixtrans-70.4-43174.6-71.6170.3000112.2V188 P190 P243 L265 D266 E267 A268 D269 Q274 Y276 I280V188-L271 HydrophobicContact CG1-CD1 4.09Å; V188-L271 HydrophobicContact CG1-CD2 4.04Å; P190-L271 HydrophobicContact CB-CD2 3.99Å; P190-L271 HydrophobicContact CB-CG 4.16Å; P243-L271 HydrophobicContact CG-CD2 3.47Å; P243-L271 VanDerWaalsContact CG-CD2 3.47Å; L265-L271 HydrophobicContact CB-CD1 4.24Å; D266-L271 WeakPolarHBondContact O-CD1 3.27Å; E267-L271 PolarHBondContact O-N 3.04Å; A268-L271 WeakPolarHBondContact O-CB 3.36Å; A268-L271 PolarHBondContact O-N 3.24Å; D269-L271 VanDerWaalsContact C-N 3.34Å; D269-L271 PolarHBondContact O-N 3.13Å; L271-Q274 PolarHBondContact O-N 3.29Å; L271-Y276 HydrophobicContact CD2-CD2 4.27Å; L271-Y276 WeakPolarHBondContact O-CB 3.42Å; L271-Y276 WeakPolarHBondContact O-CD2 3.33Å; L271-Y276 PolarHBondContact O-N 3.18Å; L271-Y276 VanDerWaalsContact O-N 3.15Å; L271-I280 HydrophobicContact CB-CD1 4.21Å; L271-I280 HydrophobicContact CD1-CD1 4.44Å
272L90.3Very high90.4Very high23 Ų2336.5 Ų36.512%0.1220%0.196CC..Hα-helixtrans-70.4-44.9-178.1-68.8170.6000111.9A268 D269 Q274 G275 S277 D310 V311 L314A268-L272 WeakPolarHBondContact O-CB 3.27Å; A268-L272 WeakPolarHBondContact O-CG 3.33Å; A268-L272 PolarHBondContact O-N 2.99Å; D269-L272 PolarHBondContact O-N 3.05Å; L272-Q274 PolarHBondContact O-N 3.36Å; L272-G275 WeakPolarHBondContact O-CA 3.4Å; L272-G275 PolarHBondContact O-N 2.93Å; L272-S277 WeakPolarHBondContact CD2-OG 3.25Å; L272-D310 HydrophobicContact CD1-CB 4.01Å; L272-V311 HydrophobicContact CD1-CG2 3.88Å; L272-L314 HydrophobicContact CD1-CB 4.36Å; L272-L314 HydrophobicContact CD1-CD2 4.15Å; L272-L314 HydrophobicContact CD2-CD2 4.19Å; L272-L314 HydrophobicContact CG-CD2 4.38Å
273S81.6Confident90.3Very high44 Ų4432.1 Ų32.131%0.30818%0.176SC..Hα-helixtrans-59.3-3017654.40000112.9D269 G270 G275 R473 E491D269-S273 WeakPolarHBondContact O-CB 3.35Å; D269-S273 PolarHBondContact O-N 2.93Å; D269-S273 PolarHBondContact O-OG 3.46Å; G270-S273 WeakPolarHBondContact CA-OG 3.4Å; G270-S273 PolarHBondContact O-OG 2.83Å; S273-G275 VanDerWaalsContact C-N 3.26Å; S273-G275 PolarHBondContact O-N 3.39Å; S273-R473 PolarHBondContact OG-NH1 2.84Å; S273-R473 PolarHBondContact OG-NH2 3.32Å; S273-E491 WeakPolarHBondContact CB-OE1 3.41Å
274Q82.2Confident89.9Confident52 Ų5232.9 Ų32.924%0.24318%0.18CC..THydrogen-bonded Turntrans-81.3-1.2174.8-70.7-179.567.700114.1P190 G270 L271 L272 Y276P190-Q274 PolarHBondContact O-NE2 3.05Å; G270-Q274 VanDerWaalsContact O-CG 3.31Å; G270-Q274 WeakPolarHBondContact O-CG 3.33Å; G270-Q274 PolarHBondContact O-NE2 3.22Å; L271-Q274 PolarHBondContact O-N 3.29Å; L272-Q274 PolarHBondContact O-N 3.36Å; Q274-Y276 HydrophobicContact CB-CD2 3.61Å; Q274-Y276 HydrophobicContact CB-CE2 3.48Å; Q274-Y276 VanDerWaalsContact CB-CE2 3.48Å; Q274-Y276 HydrophobicContact CG-CE2 4.34Å
275G86.6Confident89.1Confident56 Ų5637.6 Ų37.658%0.57720%0.204SC*.THydrogen-bonded Turntrans81.125.1177.100000114.6L272 S273 S277L272-G275 WeakPolarHBondContact O-CA 3.4Å; L272-G275 PolarHBondContact O-N 2.93Å; S273-G275 VanDerWaalsContact C-N 3.26Å; S273-G275 PolarHBondContact O-N 3.39Å; G275-S277 VanDerWaalsContact C-N 3.31Å; G275-S277 PolarHBondContact O-N 3.04Å
276Y92.1Very high88.3Confident69 Ų6942.5 Ų42.527%0.27123%0.227SC..  trans-87.29.4-179.6-64-60.5000114.9P243 L271 Q274 D278 F279 I280P243-Y276 HydrophobicContact CB-CD1 3.44Å; P243-Y276 VanDerWaalsContact CB-CD1 3.44Å; P243-Y276 HydrophobicContact CB-CD2 3.96Å; P243-Y276 HydrophobicContact CB-CE1 3.65Å; P243-Y276 HydrophobicContact CB-CE2 4.12Å; P243-Y276 HydrophobicContact CB-CG 3.61Å; P243-Y276 HydrophobicContact CG-CD1 4.12Å; P243-Y276 HydrophobicContact CG-CD2 3.7Å; P243-Y276 HydrophobicContact CG-CE1 4.41Å; P243-Y276 HydrophobicContact CG-CE2 4Å; P243-Y276 HydrophobicContact CG-CG 3.76Å; L271-Y276 HydrophobicContact CD2-CD2 4.27Å; L271-Y276 WeakPolarHBondContact O-CB 3.42Å; L271-Y276 WeakPolarHBondContact O-CD2 3.33Å; L271-Y276 PolarHBondContact O-N 3.18Å; L271-Y276 VanDerWaalsContact O-N 3.15Å; Q274-Y276 HydrophobicContact CB-CD2 3.61Å; Q274-Y276 HydrophobicContact CB-CE2 3.48Å; Q274-Y276 VanDerWaalsContact CB-CE2 3.48Å; Q274-Y276 HydrophobicContact CG-CE2 4.34Å; Y276-D278 VanDerWaalsContact C-N 3.3Å; Y276-D278 PolarHBondContact O-N 2.89Å; Y276-F279 WeakPolarHBondContact O-CB 3.12Å; Y276-F279 PolarHBondContact O-N 3.18Å; Y276-F279 VanDerWaalsContact O-N 3.11Å; Y276-I280 WeakPolarHBondContact O-CG1 3.31Å; Y276-I280 PolarHBondContact O-N 2.97Å
277S90.9Very high87.8Confident43 Ų4340.6 Ų40.630%0.30122%0.217SC..Hα-helixtrans-53.3-44.1-180-47.20000113.1L272 G275 I280 N281L272-S277 WeakPolarHBondContact CD2-OG 3.25Å; G275-S277 VanDerWaalsContact C-N 3.31Å; G275-S277 PolarHBondContact O-N 3.04Å; S277-I280 PolarHBondContact O-N 2.81Å; S277-N281 VanDerWaalsContact O-CG 3.26Å; S277-N281 PolarHBondContact O-N 3.45Å; S277-N281 PolarHBondContact O-ND2 3.24Å
278D89.6Confident87.1Confident110 Ų11040.6 Ų40.659%0.58822%0.221SC*.Hα-helixtrans-68.7-37.3-179.9-70.3-24.7000112.4Y276 N281 R282Y276-D278 VanDerWaalsContact C-N 3.3Å; Y276-D278 PolarHBondContact O-N 2.89Å; D278-N281 PolarHBondContact O-N 2.77Å; D278-R282 WeakPolarHBondContact O-CG 3.46Å; D278-R282 PolarHBondContact O-N 2.91Å; D278-R282 PolarHBondContact O-NH1 3.47Å
279F92.4Very high86.3Confident8 Ų843.2 Ų43.24%0.03523%0.233CC..Hα-helixtrans-61.5-48.8173.9159.5-102.2000110.8V188 P243 L246 D247 Y276 N281 R282 M283V188-F279 HydrophobicContact CG1-CE1 4.01Å; P243-F279 HydrophobicContact CB-CD1 3.59Å; P243-F279 HydrophobicContact CB-CE1 3.66Å; P243-F279 HydrophobicContact CB-CG 4.22Å; P243-F279 HydrophobicContact CB-CZ 4.34Å; P243-F279 HydrophobicContact CG-CD1 4.13Å; P243-F279 HydrophobicContact CG-CE1 4.01Å; L246-F279 HydrophobicContact CB-CE2 4.1Å; L246-F279 HydrophobicContact CB-CZ 3.76Å; L246-F279 HydrophobicContact CD1-CZ 4.24Å; D247-F279 HydrophobicContact CB-CD2 3.52Å; D247-F279 HydrophobicContact CB-CE2 3.71Å; Y276-F279 WeakPolarHBondContact O-CB 3.12Å; Y276-F279 PolarHBondContact O-N 3.18Å; Y276-F279 VanDerWaalsContact O-N 3.11Å; F279-N281 VanDerWaalsContact C-N 3.3Å; F279-N281 PolarHBondContact O-N 3.24Å; F279-R282 PolarHBondContact O-N 2.95Å; F279-M283 HydrophobicContact CE1-CE 3.84Å; F279-M283 HydrophobicContact CE1-SD 4.21Å; F279-M283 HydrophobicContact CE2-CB 4.43Å; F279-M283 HydrophobicContact CE2-SD 4.46Å; F279-M283 HydrophobicContact CZ-CE 4.02Å; F279-M283 HydrophobicContact CZ-SD 3.77Å; F279-M283 WeakPolarHBondContact O-CB 3.38Å; F279-M283 PolarHBondContact O-N 3.26Å
280I95.1Very high85.2Confident0 Ų044.6 Ų44.60%024%0.242CC..Hα-helixtrans-57.6-46.1179-65.3163.6000110.5L265 L271 Y276 S277 M283 H284 L314 I318L265-I280 HydrophobicContact CD1-CD1 4.35Å; L265-I280 HydrophobicContact CD1-CG2 3.65Å; L265-I280 HydrophobicContact CD2-CG2 4.42Å; L271-I280 HydrophobicContact CB-CD1 4.21Å; L271-I280 HydrophobicContact CD1-CD1 4.44Å; Y276-I280 WeakPolarHBondContact O-CG1 3.31Å; Y276-I280 PolarHBondContact O-N 2.97Å; S277-I280 PolarHBondContact O-N 2.81Å; I280-M283 PolarHBondContact O-N 2.76Å; I280-H284 VanDerWaalsContact O-CB 3.27Å; I280-H284 WeakPolarHBondContact O-CB 3.34Å; I280-H284 PolarHBondContact O-N 3.35Å; I280-L314 HydrophobicContact CD1-CD2 4.39Å; I280-L314 HydrophobicContact CG2-CD1 3.96Å; I280-I318 HydrophobicContact CG2-CD1 4.29Å
281N89.2Confident83.9Confident27 Ų2745 Ų4514%0.14425%0.245CC..Hα-helixtrans-61.7-46.2178-72.2-47.8000112.7S277 D278 F279 N285 K317S277-N281 VanDerWaalsContact O-CG 3.26Å; S277-N281 PolarHBondContact O-N 3.45Å; S277-N281 PolarHBondContact O-ND2 3.24Å; D278-N281 PolarHBondContact O-N 2.77Å; F279-N281 VanDerWaalsContact C-N 3.3Å; F279-N281 PolarHBondContact O-N 3.24Å; N281-N285 WeakPolarHBondContact O-CB 3.33Å; N281-N285 PolarHBondContact O-N 3.48Å; N281-N285 PolarHBondContact O-ND2 3.4Å; N281-N285 PolarHBondContact O-OD1 2.84Å; N281-K317 PolarHBondContact ND2-NZ 2.94Å; N281-K317 VanDerWaalsContact ND2-NZ 3.13Å; N281-K317 WeakPolarHBondContact OD1-CD 3.36Å; N281-K317 WeakPolarHBondContact OD1-CE 3.43Å; N281-K317 PolarHBondContact OD1-NZ 3.47Å
282R85.8Confident81.9Confident108 Ų10849.6 Ų49.641%0.40828%0.277SS..Hα-helixtrans-61.9-46.8178.3-75.9-167.1-56-86.65.9111.7D247 D278 F279 N285 Q286D247-R282 IonicContact OD1-NE 3.5Å; D247-R282 IonicContact OD1-NH2 3.14Å; D247-R282 PolarHBondContact OD1-NH2 2.91Å; D247-R282 IonicContact OD2-CZ 3.25Å; D247-R282 IonicContact OD2-NH2 2.7Å; D247-R282 PolarHBondContact OD2-NH2 3.18Å; D278-R282 WeakPolarHBondContact O-CG 3.46Å; D278-R282 PolarHBondContact O-N 2.91Å; D278-R282 PolarHBondContact O-NH1 3.47Å; F279-R282 PolarHBondContact O-N 2.95Å; R282-N285 PolarHBondContact O-N 3.11Å; R282-Q286 WeakPolarHBondContact O-CG 3.47Å; R282-Q286 PolarHBondContact O-N 2.81Å
283M91.1Very high80Confident2 Ų252.7 Ų52.71%0.0129%0.293CS..Hα-helixtrans-61.4-49.8178.8174.2-174.950.200110.9L186 V188 L257 L263 L265 F279 I280 N285 Q286 I287L186-M283 HydrophobicContact CD2-CG 4.11Å; L186-M283 HydrophobicContact CD2-SD 3.36Å; L186-M283 WeakPolarHBondContact CD2-SD 3.38Å; L186-M283 HydrophobicContact CG-SD 4.37Å; V188-M283 HydrophobicContact CG2-CE 3.87Å; V188-M283 HydrophobicContact CG2-SD 3.94Å; L257-M283 HydrophobicContact CD1-CB 4.45Å; L257-M283 HydrophobicContact CD1-CG 3.73Å; L263-M283 HydrophobicContact CD1-CE 4.03Å; L263-M283 HydrophobicContact CD1-SD 4.16Å; L265-M283 HydrophobicContact CD2-CE 4.22Å; F279-M283 HydrophobicContact CE1-CE 3.84Å; F279-M283 HydrophobicContact CE1-SD 4.21Å; F279-M283 HydrophobicContact CE2-CB 4.43Å; F279-M283 HydrophobicContact CE2-SD 4.46Å; F279-M283 HydrophobicContact CZ-CE 4.02Å; F279-M283 HydrophobicContact CZ-SD 3.77Å; F279-M283 WeakPolarHBondContact O-CB 3.38Å; F279-M283 PolarHBondContact O-N 3.26Å; I280-M283 PolarHBondContact O-N 2.76Å; M283-N285 VanDerWaalsContact C-N 3.31Å; M283-N285 PolarHBondContact O-N 3.37Å; M283-Q286 PolarHBondContact O-N 3.48Å; M283-I287 HydrophobicContact CG-CD1 4.13Å; M283-I287 WeakPolarHBondContact O-CG1 3.33Å; M283-I287 PolarHBondContact O-N 2.87Å
284H89.9Confident78.5Confident16 Ų1652.3 Ų52.37%0.07430%0.297CS..Hα-helixtrans-55.1-45176.8176.7-94.8000112.1I280 Q286 I287 Q289 I318I280-H284 VanDerWaalsContact O-CB 3.27Å; I280-H284 WeakPolarHBondContact O-CB 3.34Å; I280-H284 PolarHBondContact O-N 3.35Å; H284-Q286 PolarHBondContact O-N 2.97Å; H284-I287 PolarHBondContact O-N 2.96Å; H284-I287 VanDerWaalsContact O-N 3.11Å; H284-Q289 PolarHBondContact CE1-NE2 3.25Å; H284-Q289 PolarHBondContact NE2-NE2 3.34Å; H284-Q289 VanDerWaalsContact NE2-NE2 3.18Å; H284-Q289 PolarHBondContact NE2-OE1 2.57Å; H284-Q289 PolarHBondContact O-NE2 2.71Å; H284-I318 HydrophobicContact CB-CG2 4.45Å; H284-I318 PolarHBondContact NE2-O 3.17Å
285N81.8Confident77.5Confident124 Ų12456.5 Ų56.566%0.66331%0.314SS*.Hα-helixtrans-65.7-23.1179.4-69.9-11.8000113.9N281 R282 M283N281-N285 WeakPolarHBondContact O-CB 3.33Å; N281-N285 PolarHBondContact O-N 3.48Å; N281-N285 PolarHBondContact O-ND2 3.4Å; N281-N285 PolarHBondContact O-OD1 2.84Å; R282-N285 PolarHBondContact O-N 3.11Å; M283-N285 VanDerWaalsContact C-N 3.31Å; M283-N285 PolarHBondContact O-N 3.37Å
286Q80.6Confident76.9Confident102 Ų10258.5 Ų58.548%0.47730%0.304SS..Hα-helixtrans-86.6-17.3175.6-69.8179.836.700113L257 R282 M283 H284L257-Q286 HydrophobicContact CD1-CB 4.15Å; R282-Q286 WeakPolarHBondContact O-CG 3.47Å; R282-Q286 PolarHBondContact O-N 2.81Å; M283-Q286 PolarHBondContact O-N 3.48Å; H284-Q286 PolarHBondContact O-N 2.97Å
287I82.8Confident76.5Confident3 Ų355.9 Ų55.92%0.01530%0.295CS..SBendtrans-80.6132.2176.9-64162.4000109.2L257 V260 L263 M283 H284 Q289 L297L257-I287 HydrophobicContact CB-CG1 3.89Å; L257-I287 HydrophobicContact CD1-CG1 4.1Å; V260-I287 HydrophobicContact CB-CG1 4.25Å; V260-I287 HydrophobicContact CB-CG2 3.94Å; V260-I287 HydrophobicContact CG1-CD1 4.08Å; V260-I287 HydrophobicContact CG1-CG1 4.34Å; V260-I287 HydrophobicContact CG1-CG2 4.05Å; L263-I287 HydrophobicContact CB-CD1 4.45Å; L263-I287 HydrophobicContact CD1-CD1 4.17Å; L263-I287 HydrophobicContact CD2-CD1 4.01Å; L263-I287 HydrophobicContact CG-CD1 4.45Å; M283-I287 HydrophobicContact CG-CD1 4.13Å; M283-I287 WeakPolarHBondContact O-CG1 3.33Å; M283-I287 PolarHBondContact O-N 2.87Å; H284-I287 PolarHBondContact O-N 2.96Å; H284-I287 VanDerWaalsContact O-N 3.11Å; I287-Q289 PolarHBondContact O-N 2.92Å; I287-Q289 VanDerWaalsContact O-N 3.14Å; I287-Q289 PolarHBondContact O-NE2 2.88Å; I287-Q289 VanDerWaalsContact O-NE2 3.15Å; I287-L297 HydrophobicContact CB-CD2 4.21Å; I287-L297 HydrophobicContact CG2-CD1 3.64Å; I287-L297 HydrophobicContact CG2-CD2 3.65Å; I287-L297 HydrophobicContact CG2-CG 4.18Å
288P74.7Confident76.5Confident43 Ų4358.6 Ų58.628%0.27930%0.303SS..  trans-61.2116.8173.1-26.738.1000111.9L257 S258 V290L257-P288 WeakPolarHBondContact O-CD 3.49Å; S258-P288 WeakPolarHBondContact O-CG 3.14Å; P288-V290 VanDerWaalsContact C-N 3.34Å
289Q75.6Confident76.7Confident55 Ų5554.2 Ų54.226%0.25728%0.28SS..SBendtrans-71.5-31.2-178.8-59.9-58.3-39.700112.7H284 I287 R296 L297H284-Q289 PolarHBondContact CE1-NE2 3.25Å; H284-Q289 PolarHBondContact NE2-NE2 3.34Å; H284-Q289 VanDerWaalsContact NE2-NE2 3.18Å; H284-Q289 PolarHBondContact NE2-OE1 2.57Å; H284-Q289 PolarHBondContact O-NE2 2.71Å; I287-Q289 PolarHBondContact O-N 2.92Å; I287-Q289 VanDerWaalsContact O-N 3.14Å; I287-Q289 PolarHBondContact O-NE2 2.88Å; I287-Q289 VanDerWaalsContact O-NE2 3.15Å; Q289-R296 WeakPolarHBondContact O-CA 3.22Å; Q289-L297 PolarHBondContact O-N 2.85Å
290V63.6Low76.9Confident51 Ų5157.4 Ų57.431%0.30930%0.296SS..BIsolated β-bridgetrans-137.5141.8174.9-173.80000108.4P288 R296P288-V290 VanDerWaalsContact C-N 3.34Å; V290-R296 HydrophobicContact CG2-CG 4.4Å
291T56Low76.9Confident10 Ų1058.2 Ų58.26%0.06130%0.302CS..  trans-108165.5-169.358.70000110.2D293 G294 K295T291-D293 WeakPolarHBondContact CB-OD1 3.31Å; T291-D293 PolarHBondContact O-N 3.12Å; T291-D293 PolarHBondContact OG1-OD1 3.18Å; T291-G294 PolarHBondContact O-N 3.4Å; T291-K295 WeakPolarHBondContact CB-O 3.24Å; T291-K295 WeakPolarHBondContact CG2-O 3.12Å; T291-K295 PolarHBondContact N-O 3.36Å; T291-K295 WeakPolarHBondContact OG1-CA 3.4Å; T291-K295 WeakPolarHBondContact OG1-CB 3.45Å; T291-K295 PolarHBondContact OG1-N 3.21Å; T291-K295 VanDerWaalsContact OG1-N 3.16Å; T291-K295 PolarHBondContact OG1-O 3.15Å
292S48.5Very low77Confident96 Ų9659.4 Ų59.467%0.67131%0.311SS*.THydrogen-bonded Turntrans-62.1-24.6-176.349.30000113.4G294S292-G294 VanDerWaalsContact C-N 3.3Å
293D50.8Low77.1Confident87 Ų8755.3 Ų55.347%0.46530%0.299SS..THydrogen-bonded Turntrans-88.610.917359.8-42.9000113.3T291 K295T291-D293 WeakPolarHBondContact CB-OD1 3.31Å; T291-D293 PolarHBondContact O-N 3.12Å; T291-D293 PolarHBondContact OG1-OD1 3.18Å; D293-K295 VanDerWaalsContact C-N 3.25Å; D293-K295 PolarHBondContact O-N 3.39Å; D293-K295 VanDerWaalsContact OD2-CD 3.29Å; D293-K295 WeakPolarHBondContact OD2-CD 3.38Å; D293-K295 WeakPolarHBondContact OD2-CE 3.3Å; D293-K295 IonicContact OD2-NZ 3.89Å
294G49.6Very low76.6Confident37 Ų3758 Ų5838%0.38132%0.321SS..SBendtrans79.5-1.4174.800000114.9T291 S292T291-G294 PolarHBondContact O-N 3.4Å; S292-G294 VanDerWaalsContact C-N 3.3Å
295K61.6Low75.9Confident139 Ų13957.5 Ų57.560%0.60432%0.32SS*.PPolyproline II helixtrans-76.1140.2178.3-63.9-176.5-174.7172.30111.1T291 D293T291-K295 WeakPolarHBondContact CB-O 3.24Å; T291-K295 WeakPolarHBondContact CG2-O 3.12Å; T291-K295 PolarHBondContact N-O 3.36Å; T291-K295 WeakPolarHBondContact OG1-CA 3.4Å; T291-K295 WeakPolarHBondContact OG1-CB 3.45Å; T291-K295 PolarHBondContact OG1-N 3.21Å; T291-K295 VanDerWaalsContact OG1-N 3.16Å; T291-K295 PolarHBondContact OG1-O 3.15Å; D293-K295 VanDerWaalsContact C-N 3.25Å; D293-K295 PolarHBondContact O-N 3.39Å; D293-K295 VanDerWaalsContact OD2-CD 3.29Å; D293-K295 WeakPolarHBondContact OD2-CD 3.38Å; D293-K295 WeakPolarHBondContact OD2-CE 3.3Å; D293-K295 IonicContact OD2-NZ 3.89Å
296R73.7Confident75.8Confident98 Ų9853 Ų5337%0.3730%0.296SS..BIsolated β-bridgetrans-86.4155.5177.2-59.8-173.3-178.2-165.14.2110.9Q289 V290 Q298Q289-R296 WeakPolarHBondContact O-CA 3.22Å; V290-R296 HydrophobicContact CG2-CG 4.4Å; R296-Q298 PolarHBondContact O-N 2.85Å
297L83.2Confident75.6Confident14 Ų1454.1 Ų54.17%0.07330%0.3CS..PPolyproline II helixtrans-59.5127.2164.4176.563.4000109V260 L263 I287 Q289 V299V260-L297 HydrophobicContact CG1-CD1 4.22Å; L263-L297 HydrophobicContact CB-CD1 4.27Å; I287-L297 HydrophobicContact CB-CD2 4.21Å; I287-L297 HydrophobicContact CG2-CD1 3.64Å; I287-L297 HydrophobicContact CG2-CD2 3.65Å; I287-L297 HydrophobicContact CG2-CG 4.18Å; Q289-L297 PolarHBondContact O-N 2.85Å; L297-V299 HydrophobicContact CD2-CG2 3.87Å; L297-V299 HydrophobicContact CG-CG2 3.88Å
298Q90.3Very high75.5Confident101 Ų10155.3 Ų55.347%0.47231%0.309SS..EExtended strand (participates in β ladder)trans-92.2124.9169-170.7166.515.200108.9R261 F262 L263 R296R261-Q298 PolarHBondContact O-N 3.45Å; F262-Q298 WeakPolarHBondContact CA-O 3.47Å; F262-Q298 HydrophobicContact CD1-CB 4Å; F262-Q298 HydrophobicContact CD1-CG 4.47Å; F262-Q298 HydrophobicContact CE1-CB 4.34Å; L263-Q298 PolarHBondContact N-O 2.82Å; R296-Q298 PolarHBondContact O-N 2.85Å
299V94.5Very high75.9Confident18 Ų1860.4 Ų60.411%0.10933%0.327CS..EExtended strand (participates in β ladder)trans-113.1131.5177.4-173.30000108.7L263 L297 V301 I318 M319L263-V299 HydrophobicContact CB-CG2 4.4Å; L263-V299 HydrophobicContact CD2-CG1 4.42Å; L263-V299 CarbonylContact O-C 3.47Å; L263-V299 VanDerWaalsContact O-CA 3.29Å; L263-V299 WeakPolarHBondContact O-CA 3.37Å; L297-V299 HydrophobicContact CD2-CG2 3.87Å; L297-V299 HydrophobicContact CG-CG2 3.88Å; V299-V301 HydrophobicContact CG1-CG2 4.22Å; V299-I318 HydrophobicContact CG1-CD1 4.04Å; V299-I318 HydrophobicContact CG1-CG1 4.2Å; V299-M319 HydrophobicContact CB-CG 4.18Å; V299-M319 HydrophobicContact CG1-CG 4.02Å; V299-M319 VanDerWaalsContact O-CE 3.27Å; V299-M319 WeakPolarHBondContact O-CE 3.38Å
300I95.9Very high76.5Confident74 Ų7462.3 Ų62.338%0.37934%0.339SS..EExtended strand (participates in β ladder)trans-119.7128174.5-57174.3000107.1L263 V264 L265L263-I300 PolarHBondContact O-N 3.21Å; V264-I300 CarbonylContact C-O 3.55Å; V264-I300 WeakPolarHBondContact CA-O 3.29Å; V264-I300 HydrophobicContact CG1-CB 4.29Å; V264-I300 HydrophobicContact CG1-CG2 4.41Å; V264-I300 HydrophobicContact CG2-CB 4.25Å; V264-I300 HydrophobicContact CG2-CD1 4.29Å; L265-I300 PolarHBondContact N-O 3.26Å
301V94.9Very high77.7Confident18 Ų1860 Ų6011%0.10933%0.325CS..EExtended strand (participates in β ladder)trans-120.2116.8176177.70000107.4L265 A268 V299 V311 I318 M319L265-V301 HydrophobicContact CB-CG2 4.41Å; L265-V301 HydrophobicContact CD1-CG2 4.29Å; L265-V301 WeakPolarHBondContact O-CA 3.36Å; A268-V301 HydrophobicContact CB-CG1 3.59Å; V299-V301 HydrophobicContact CG1-CG2 4.22Å; V301-V311 HydrophobicContact CG1-CG1 4.49Å; V301-I318 HydrophobicContact CG2-CD1 4.3Å; V301-M319 HydrophobicContact CB-CE 4.43Å; V301-M319 HydrophobicContact CB-SD 4.05Å; V301-M319 HydrophobicContact CG2-CE 4.19Å; V301-M319 HydrophobicContact CG2-CG 4.28Å; V301-M319 HydrophobicContact CG2-SD 3.58Å; V301-M319 VanDerWaalsContact CG2-SD 3.58Å
302C92.8Very high79.2Confident52 Ų5264.3 Ų64.335%0.35134%0.343SS..  trans-106.1130.5174-620000108.2L265 D266 E267 A268L265-C302 PolarHBondContact O-N 3.29Å; D266-C302 WeakPolarHBondContact OD1-CB 3.33Å; E267-C302 PolarHBondContact N-O 3.4Å; A268-C302 PolarHBondContact N-O 2.84Å
303S87.9Confident81.2Confident21 Ų2165.6 Ų65.615%0.14734%0.337CS..  trans-155.2143.2-179.3-1760000109.1D269 T305D269-S303 WeakPolarHBondContact CB-OG 3.4Å; S303-T305 VanDerWaalsContact C-N 3.28Å; S303-T305 PolarHBondContact OG-N 2.86Å
304A79.1Confident83.2Confident58 Ų5862 Ų6248%0.47932%0.317SS..SBendtrans-69.8-3217100000111H497A304-H497 WeakPolarHBondContact CB-NE2 3.07Å
305T76.7Confident85.1Confident7 Ų760.4 Ų60.44%0.04330%0.3CS..  trans-11064.7-175.270.90000110.3D269 S303 H307 S308 Q493D269-T305 WeakPolarHBondContact CB-OG1 3.38Å; S303-T305 VanDerWaalsContact C-N 3.28Å; S303-T305 PolarHBondContact OG-N 2.86Å; T305-H307 PolarHBondContact O-N 2.78Å; T305-H307 VanDerWaalsContact O-N 3.17Å; T305-S308 WeakPolarHBondContact O-CB 3.3Å; T305-S308 PolarHBondContact O-N 2.84Å; T305-S308 VanDerWaalsContact O-N 3.09Å; T305-S308 PolarHBondContact O-OG 2.86Å; T305-S308 PolarHBondContact OG1-OG 3.5Å; T305-Q493 HydrophobicContact CG2-CB 3.8Å; T305-Q493 HydrophobicContact CG2-CG 3.41Å; T305-Q493 VanDerWaalsContact CG2-CG 3.41Å
306L79.6Confident86.2Confident29 Ų2960 Ų6015%0.15230%0.301CS..THydrogen-bonded Turntrans-56.4-32.1-176.5-74.8173.7000113.1W324 D326L306-W324 HydrophobicContact CB-CE3 4.38Å; L306-W324 HydrophobicContact CB-CZ3 4.1Å; L306-W324 HydrophobicContact CD2-CZ3 4.33Å; L306-W324 WeakPolarHBondContact O-CZ3 3.11Å; L306-D326 HydrophobicContact CD1-CB 4.41Å
307H75.6Confident86.8Confident125 Ų12561.2 Ų61.258%0.57931%0.309SS*.THydrogen-bonded Turntrans-88.4-0.2-178.2-57.9-60.2000114.4T305 D326T305-H307 PolarHBondContact O-N 2.78Å; T305-H307 VanDerWaalsContact O-N 3.17Å; H307-D326 IonicContact CD2-OD2 2.62Å; H307-D326 IonicContact CE1-OD2 3.78Å; H307-D326 IonicContact NE2-OD2 3.51Å; H307-D326 PolarHBondContact NE2-OD2 3.47Å
308S81.1Confident87Confident29 Ų2960.6 Ų60.620%0.20331%0.305CS..SBendtrans-63.5142.5175.980.20000110.1T305 D310 V311 K312T305-S308 WeakPolarHBondContact O-CB 3.3Å; T305-S308 PolarHBondContact O-N 2.84Å; T305-S308 VanDerWaalsContact O-N 3.09Å; T305-S308 PolarHBondContact O-OG 2.86Å; T305-S308 PolarHBondContact OG1-OG 3.5Å; S308-D310 PolarHBondContact O-N 2.89Å; S308-V311 PolarHBondContact O-N 3.26Å; S308-V311 WeakPolarHBondContact OG-CB 3.45Å; S308-V311 WeakPolarHBondContact OG-CG2 3.28Å; S308-V311 PolarHBondContact OG-N 3.44Å; S308-K312 WeakPolarHBondContact O-CB 3.26Å; S308-K312 PolarHBondContact O-N 3.36Å
309F83.5Confident86.8Confident149 Ų14957.1 Ų57.165%0.65429%0.289SS*.Hα-helixtrans-54.4-42.4-176.7176-97.8000111.9K313F309-K313 HydrophobicContact CE1-CD 3.93Å; F309-K313 HydrophobicContact CZ-CD 4.2Å; F309-K313 WeakPolarHBondContact O-CB 3.34Å; F309-K313 PolarHBondContact O-N 2.69Å
310D87.3Confident85.7Confident96 Ų9661.8 Ų61.851%0.51331%0.31SS..Hα-helixtrans-70.6-40.5-177.6-66.1-44.9000112.8L272 S308 L314L272-D310 HydrophobicContact CD1-CB 4.01Å; S308-D310 PolarHBondContact O-N 2.89Å; D310-L314 WeakPolarHBondContact O-CB 3.25Å; D310-L314 PolarHBondContact O-N 3.02Å
311V89.1Confident84.4Confident1 Ų165.4 Ų65.41%0.00632%0.323CS..Hα-helixtrans-66.5-45.5176.3173.20000110D269 L272 V301 S308 K313 L314 S315D269-V311 HydrophobicContact CB-CG2 4.11Å; L272-V311 HydrophobicContact CD1-CG2 3.88Å; V301-V311 HydrophobicContact CG1-CG1 4.49Å; S308-V311 PolarHBondContact O-N 3.26Å; S308-V311 WeakPolarHBondContact OG-CB 3.45Å; S308-V311 WeakPolarHBondContact OG-CG2 3.28Å; S308-V311 PolarHBondContact OG-N 3.44Å; V311-K313 PolarHBondContact O-N 3.38Å; V311-L314 WeakPolarHBondContact O-CB 3.38Å; V311-L314 PolarHBondContact O-N 2.81Å; V311-S315 PolarHBondContact O-N 2.62Å; V311-S315 PolarHBondContact O-OG 2.73Å; V311-S315 VanDerWaalsContact O-OG 3.1Å
312K88.4Confident83.8Confident102 Ų10266.6 Ų66.644%0.44333%0.331SS..Hα-helixtrans-60-46.9177.1-174.7174.2180175.30112.1S308 L314 S315 E316 W324S308-K312 WeakPolarHBondContact O-CB 3.26Å; S308-K312 PolarHBondContact O-N 3.36Å; K312-L314 VanDerWaalsContact C-N 3.31Å; K312-L314 PolarHBondContact O-N 2.92Å; K312-S315 PolarHBondContact O-N 2.9Å; K312-E316 WeakPolarHBondContact CE-OE1 3.16Å; K312-E316 WeakPolarHBondContact O-CG 3.46Å; K312-E316 PolarHBondContact O-N 3.03Å; K312-W324 HydrophobicContact CB-CH2 4.42Å; K312-W324 HydrophobicContact CG-CH2 4.27Å; K312-W324 HydrophobicContact CG-CZ2 4.48Å
313K89.8Confident83.4Confident123 Ų12370.2 Ų70.254%0.53535%0.351SS..Hα-helixtrans-61.7-37.7176.6-177.9179.3178.8-177.70112.4F309 V311 K317F309-K313 HydrophobicContact CE1-CD 3.93Å; F309-K313 HydrophobicContact CZ-CD 4.2Å; F309-K313 WeakPolarHBondContact O-CB 3.34Å; F309-K313 PolarHBondContact O-N 2.69Å; V311-K313 PolarHBondContact O-N 3.38Å; K313-K317 WeakPolarHBondContact O-CB 3.3Å; K313-K317 PolarHBondContact O-N 2.91Å
314L91.8Very high83.2Confident10 Ų1074.5 Ų74.55%0.05237%0.365CS..Hα-helixtrans-63.9-51.8173.7179.769000110.5L265 L272 I280 D310 V311 K312 E316 K317 I318L265-L314 HydrophobicContact CD1-CD2 3.95Å; L272-L314 HydrophobicContact CD1-CB 4.36Å; L272-L314 HydrophobicContact CD1-CD2 4.15Å; L272-L314 HydrophobicContact CD2-CD2 4.19Å; L272-L314 HydrophobicContact CG-CD2 4.38Å; I280-L314 HydrophobicContact CD1-CD2 4.39Å; I280-L314 HydrophobicContact CG2-CD1 3.96Å; D310-L314 WeakPolarHBondContact O-CB 3.25Å; D310-L314 PolarHBondContact O-N 3.02Å; V311-L314 WeakPolarHBondContact O-CB 3.38Å; V311-L314 PolarHBondContact O-N 2.81Å; K312-L314 VanDerWaalsContact C-N 3.31Å; K312-L314 PolarHBondContact O-N 2.92Å; L314-E316 PolarHBondContact O-N 3.29Å; L314-K317 WeakPolarHBondContact O-CB 3.5Å; L314-K317 PolarHBondContact O-N 3.31Å; L314-I318 HydrophobicContact CD1-CD1 4.05Å; L314-I318 HydrophobicContact CD1-CG2 4.18Å; L314-I318 HydrophobicContact CD2-CD1 4.38Å; L314-I318 HydrophobicContact CG-CD1 3.93Å; L314-I318 HydrophobicContact CG-CG1 4.46Å; L314-I318 WeakPolarHBondContact O-CG1 3.39Å; L314-I318 PolarHBondContact O-N 3.31Å
315S89.3Confident83.5Confident4 Ų476.7 Ų76.73%0.02837%0.372CS..Hα-helixtrans-57.4-46.6-179.4-63.20000112V311 K312 K317 I318 M319V311-S315 PolarHBondContact O-N 2.62Å; V311-S315 PolarHBondContact O-OG 2.73Å; V311-S315 VanDerWaalsContact O-OG 3.1Å; K312-S315 PolarHBondContact O-N 2.9Å; S315-K317 PolarHBondContact O-N 3.42Å; S315-I318 PolarHBondContact O-N 3.34Å; S315-M319 WeakPolarHBondContact O-CA 3.45Å; S315-M319 WeakPolarHBondContact O-CB 3.28Å; S315-M319 WeakPolarHBondContact O-CG 3.4Å; S315-M319 PolarHBondContact O-N 3.43Å
316E85.8Confident83.8Confident132 Ų13279.5 Ų79.562%0.61739%0.386SS*.Hα-helixtrans-60.9-27.3176.1-73.2174.2-179.600113.2K312 L314K312-E316 WeakPolarHBondContact CE-OE1 3.16Å; K312-E316 WeakPolarHBondContact O-CG 3.46Å; K312-E316 PolarHBondContact O-N 3.03Å; L314-E316 PolarHBondContact O-N 3.29Å
317K86.4Confident83.3Confident123 Ų12385.8 Ų85.854%0.53542%0.419SS..Hα-helixtrans-84.9-39.2-177.7-175.3179.2-179.4-175.60113.4N281 K313 L314 S315N281-K317 PolarHBondContact ND2-NZ 2.94Å; N281-K317 VanDerWaalsContact ND2-NZ 3.13Å; N281-K317 WeakPolarHBondContact OD1-CD 3.36Å; N281-K317 WeakPolarHBondContact OD1-CE 3.43Å; N281-K317 PolarHBondContact OD1-NZ 3.47Å; K313-K317 WeakPolarHBondContact O-CB 3.3Å; K313-K317 PolarHBondContact O-N 2.91Å; L314-K317 WeakPolarHBondContact O-CB 3.5Å; L314-K317 PolarHBondContact O-N 3.31Å; S315-K317 PolarHBondContact O-N 3.42Å
318I87.2Confident82.5Confident1 Ų186.1 Ų86.11%0.00542%0.419CS..Hα-helixtrans-109.3-13.3-171.272.7177.2000113.6L265 I280 H284 V299 V301 L314 S315L265-I318 HydrophobicContact CD1-CD1 3.44Å; L265-I318 VanDerWaalsContact CD1-CD1 3.44Å; I280-I318 HydrophobicContact CG2-CD1 4.29Å; H284-I318 HydrophobicContact CB-CG2 4.45Å; H284-I318 PolarHBondContact NE2-O 3.17Å; V299-I318 HydrophobicContact CG1-CD1 4.04Å; V299-I318 HydrophobicContact CG1-CG1 4.2Å; V301-I318 HydrophobicContact CG2-CD1 4.3Å; L314-I318 HydrophobicContact CD1-CD1 4.05Å; L314-I318 HydrophobicContact CD1-CG2 4.18Å; L314-I318 HydrophobicContact CD2-CD1 4.38Å; L314-I318 HydrophobicContact CG-CD1 3.93Å; L314-I318 HydrophobicContact CG-CG1 4.46Å; L314-I318 WeakPolarHBondContact O-CG1 3.39Å; L314-I318 PolarHBondContact O-N 3.31Å; S315-I318 PolarHBondContact O-N 3.34Å
319M85.6Confident81.6Confident28 Ų2886.5 Ų86.514%0.13843%0.428CS..  trans-108.8143.2-179.2-48.1177.479.600110.1V299 V301 S315 P322V299-M319 HydrophobicContact CB-CG 4.18Å; V299-M319 HydrophobicContact CG1-CG 4.02Å; V299-M319 VanDerWaalsContact O-CE 3.27Å; V299-M319 WeakPolarHBondContact O-CE 3.38Å; V301-M319 HydrophobicContact CB-CE 4.43Å; V301-M319 HydrophobicContact CB-SD 4.05Å; V301-M319 HydrophobicContact CG2-CE 4.19Å; V301-M319 HydrophobicContact CG2-CG 4.28Å; V301-M319 HydrophobicContact CG2-SD 3.58Å; V301-M319 VanDerWaalsContact CG2-SD 3.58Å; S315-M319 WeakPolarHBondContact O-CA 3.45Å; S315-M319 WeakPolarHBondContact O-CB 3.28Å; S315-M319 WeakPolarHBondContact O-CG 3.4Å; S315-M319 PolarHBondContact O-N 3.43Å; M319-P322 HydrophobicContact CB-CB 4.02Å; M319-P322 HydrophobicContact CB-CG 4.18Å; M319-P322 HydrophobicContact CE-CB 3.81Å; M319-P322 HydrophobicContact SD-CB 3.93Å
320H72.8Confident80.5Confident115 Ų11587.2 Ų87.253%0.53243%0.433SS..SBendtrans-107.2110.7176-64.9-61000109.7
321F67.7Low79.4Confident151 Ų15184.5 Ų84.566%0.66242%0.418SS*.SBendtrans52.560.1-176.4-57.7-81.5000113.4R22R22-F321 HydrophobicContact CB-CE2 4.04Å; R22-F321 HydrophobicContact CB-CZ 4.1Å; R22-F321 HydrophobicContact CG-CE2 3.91Å; R22-F321 HydrophobicContact CG-CZ 4.14Å
322P81.8Confident78.3Confident42 Ų4287.5 Ų87.527%0.27344%0.44SS..PPolyproline II helixtrans-66.2136.6-178.428.8-34.5000111.6M319M319-P322 HydrophobicContact CB-CB 4.02Å; M319-P322 HydrophobicContact CB-CG 4.18Å; M319-P322 HydrophobicContact CE-CB 3.81Å; M319-P322 HydrophobicContact SD-CB 3.93Å
323T84.5Confident77.7Confident128 Ų12884 Ų8479%0.78543%0.427SS*.PPolyproline II helixtrans-79.4122.5163.3-55.40000108.5V325T323-V325 HydrophobicContact CG2-CG2 4.36Å
324W83.9Confident77Confident112 Ų11280.6 Ų80.642%0.42442%0.417SS..PPolyproline II helixtrans-87.2119.8176-66.382.4000109.3L306 K312L306-W324 HydrophobicContact CB-CE3 4.38Å; L306-W324 HydrophobicContact CB-CZ3 4.1Å; L306-W324 HydrophobicContact CD2-CZ3 4.33Å; L306-W324 WeakPolarHBondContact O-CZ3 3.11Å; K312-W324 HydrophobicContact CB-CH2 4.42Å; K312-W324 HydrophobicContact CG-CH2 4.27Å; K312-W324 HydrophobicContact CG-CZ2 4.48Å
325V85.9Confident76.2Confident103 Ų10387.7 Ų87.762%0.62446%0.455SS*.  trans-112.795.5173.4-175.60000107.2T323 L327T323-V325 HydrophobicContact CG2-CG2 4.36Å; V325-L327 HydrophobicContact CG1-CD2 4.17Å; V325-L327 HydrophobicContact CG1-CG 4.5Å
326D82.4Confident75.7Confident66 Ų6689.3 Ų89.335%0.35347%0.465SS..  trans-102.3113.3177.4-175.8-4.3000109.3L306 H307 K328 G329L306-D326 HydrophobicContact CD1-CB 4.41Å; H307-D326 IonicContact CD2-OD2 2.62Å; H307-D326 IonicContact CE1-OD2 3.78Å; H307-D326 IonicContact NE2-OD2 3.51Å; H307-D326 PolarHBondContact NE2-OD2 3.47Å; D326-K328 PolarHBondContact OD1-N 3.42Å; D326-G329 PolarHBondContact OD1-N 2.96Å
327L69.9Low75.7Confident161 Ų16183.4 Ų83.484%0.84344%0.438SS*.SBendtrans-90.9-15.4-177-62.5177.2000113.3V325V325-L327 HydrophobicContact CG1-CD2 4.17Å; V325-L327 HydrophobicContact CG1-CG 4.5Å
328K58Low75.8Confident132 Ų13278.9 Ų78.957%0.57442%0.419SS*.SBendtrans-116.4-27.2-171.5-88-164.5171-165.40113.9D326D326-K328 PolarHBondContact OD1-N 3.42Å
329G62.9Low76Confident37 Ų3780 Ų8038%0.38142%0.424SS..SBendtrans71.4-136.1-165.900000110.6D326D326-G329 PolarHBondContact OD1-N 2.96Å
330E60.4Low76.4Confident165 Ų16578.7 Ų78.777%0.77142%0.417SS*.SBendtrans-66.8147.7177.4-68-177169.500112.2S332E330-S332 PolarHBondContact O-N 3.36Å
331D63.3Low77.6Confident38 Ų3873.4 Ų73.420%0.20339%0.393CS..  trans-58.6106.9178.3-77.9-50.6000110.4H561D331-H561 IonicContact OD2-CE1 3.19Å; D331-H561 PolarHBondContact OD2-CE1 3.41Å; D331-H561 IonicContact OD2-NE2 2.9Å; D331-H561 PolarHBondContact OD2-NE2 2.81Å
332S67.5Low79Confident65 Ų6566.2 Ų66.246%0.45536%0.361SS..  trans-118.2144.4-179.348.80000111.9E330E330-S332 PolarHBondContact O-N 3.36Å
333V75.5Confident79.7Confident29 Ų2965.7 Ų65.718%0.17636%0.358CS..  trans-73.8127.2171-176.20000108.1V337 I499 L562V333-V337 HydrophobicContact CG1-CB 3.8Å; V333-V337 HydrophobicContact CG1-CG1 3.92Å; V333-I499 HydrophobicContact CB-CD1 4.43Å; V333-I499 HydrophobicContact CG1-CD1 3.84Å; V333-I499 HydrophobicContact CG2-CD1 3.82Å; V333-L562 HydrophobicContact CG2-CD1 3.81Å; V333-L562 HydrophobicContact CG2-CD2 3.8Å; V333-L562 HydrophobicContact CG2-CG 4.38Å
334P74.4Confident80.3Confident50 Ų5059.6 Ų59.633%0.32532%0.321SS..  trans-61.3141.5176.7-18.229.4000111T336 V337P334-T336 PolarHBondContact O-N 2.86Å; P334-V337 HydrophobicContact CB-CG2 4.13Å; P334-V337 HydrophobicContact CG-CG2 4.12Å; P334-V337 WeakPolarHBondContact O-CB 3.14Å; P334-V337 PolarHBondContact O-N 2.78Å
335D74.1Confident80.9Confident159 Ų15956 Ų5685%0.8531%0.31SS*.THydrogen-bonded Turntrans-55.7-22.8179-59.4-25.8000113.7V337 M508D335-V337 PolarHBondContact O-N 3.36Å; D335-M508 WeakPolarHBondContact O-CE 3.21Å
336T79.2Confident81.3Confident38 Ų3851.1 Ų51.123%0.23328%0.28CS..THydrogen-bonded Turntrans-78.1-0.7176.662.30000114.2P334 M508 G509P334-T336 PolarHBondContact O-N 2.86Å; T336-M508 CarbonylContact O-C 3.57Å; T336-M508 WeakPolarHBondContact O-CA 3.26Å; T336-G509 PolarHBondContact O-N 3.27Å
337V86.2Confident81.9Confident9 Ų952.3 Ų52.36%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-113.4107.2-177.5178.50000109.3V333 P334 D335 I499 V502V333-V337 HydrophobicContact CG1-CB 3.8Å; V333-V337 HydrophobicContact CG1-CG1 3.92Å; P334-V337 HydrophobicContact CB-CG2 4.13Å; P334-V337 HydrophobicContact CG-CG2 4.12Å; P334-V337 WeakPolarHBondContact O-CB 3.14Å; P334-V337 PolarHBondContact O-N 2.78Å; D335-V337 PolarHBondContact O-N 3.36Å; V337-I499 HydrophobicContact CG1-CB 4.11Å; V337-I499 HydrophobicContact CG1-CD1 4.3Å; V337-I499 HydrophobicContact CG1-CG1 4.35Å; V337-V502 HydrophobicContact CB-CG2 4.22Å; V337-V502 HydrophobicContact CG1-CG2 3.56Å; V337-V502 HydrophobicContact CG2-CG2 3.95Å; V337-V502 WeakPolarHBondContact CG2-O 3.36Å
338H88.4Confident83Confident28 Ų2849.7 Ų49.713%0.1327%0.273CS..EExtended strand (participates in β ladder)trans-86.8125.9164.3-175-168.5000108.5V340 M508 G509 L510 A511 V575 Y586H338-V340 WeakPolarHBondContact NE2-CG1 3.47Å; H338-M508 HydrophobicContact CB-CE 4.16Å; H338-G509 PolarHBondContact N-O 3.16Å; H338-L510 HydrophobicContact CB-CD1 4.42Å; H338-L510 CarbonylContact O-C 3.56Å; H338-L510 VanDerWaalsContact O-CA 3.29Å; H338-L510 WeakPolarHBondContact O-CA 3Å; H338-A511 PolarHBondContact O-N 3.37Å; H338-V575 VanDerWaalsContact CE1-CG1 3.46Å; H338-V575 WeakPolarHBondContact CE1-CG1 3.39Å; H338-Y586 HydrophobicContact CB-CE1 4.13Å; H338-Y586 AromaticContact ND1-CZ 3.68Å; H338-Y586 PolarHBondContact ND1-OH 3.29Å
339H92.1Very high84.7Confident24 Ų2444.6 Ų44.611%0.11125%0.252CS..EExtended strand (participates in β ladder)trans-127.6139.6178.267.5153.7000111.4Y495 A511H339-Y495 AromaticContact ND1-CE1 3.63Å; H339-Y495 AromaticContact ND1-CZ 3.77Å; H339-Y495 PolarHBondContact ND1-OH 3.35Å; H339-A511 CarbonylContact C-O 3.54Å; H339-A511 VanDerWaalsContact CA-O 3.25Å; H339-A511 WeakPolarHBondContact CA-O 3.16Å; H339-A511 HydrophobicContact CB-CB 3.98Å
340V94.3Very high86.1Confident1 Ų148.7 Ų48.71%0.00626%0.256CS..EExtended strand (participates in β ladder)trans-137.3156.4-176.7-62.30000111.2H338 L510 A511 I512 S513 S567 V569 V575H338-V340 WeakPolarHBondContact NE2-CG1 3.47Å; V340-L510 HydrophobicContact CG2-CD1 4.29Å; V340-A511 PolarHBondContact N-O 2.86Å; V340-I512 HydrophobicContact CG2-CB 4.39Å; V340-I512 HydrophobicContact CG2-CG1 4Å; V340-I512 HydrophobicContact CG2-CG2 4.4Å; V340-S513 PolarHBondContact O-N 3.05Å; V340-S567 CarbonylContact C-O 3.55Å; V340-S567 VanDerWaalsContact CA-O 3.31Å; V340-S567 WeakPolarHBondContact CA-O 3.36Å; V340-V569 HydrophobicContact CB-CG2 3.75Å; V340-V569 HydrophobicContact CG1-CG2 3.86Å; V340-V569 HydrophobicContact CG2-CG2 4.09Å; V340-V575 HydrophobicContact CG1-CG1 4.08Å; V340-V575 HydrophobicContact CG2-CG2 3.98Å
341V96.5Very high87.6Confident3 Ų343.1 Ų43.12%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-109.6135.1173.1165.40000109.9S513 V515 L555 I566 S567 Q568 V569V341-S513 CarbonylContact C-O 3.58Å; V341-S513 WeakPolarHBondContact CA-O 3.41Å; V341-V515 HydrophobicContact CB-CG2 4.39Å; V341-V515 HydrophobicContact CG1-CB 3.83Å; V341-V515 HydrophobicContact CG1-CG2 3.53Å; V341-V515 HydrophobicContact CG2-CG2 4.09Å; V341-L555 HydrophobicContact CG1-CD2 4.09Å; V341-L555 HydrophobicContact CG2-CD1 3.72Å; V341-L555 HydrophobicContact CG2-CD2 4.21Å; V341-I566 HydrophobicContact CB-CG2 4.48Å; V341-I566 HydrophobicContact CG2-CB 4.16Å; V341-I566 HydrophobicContact CG2-CG2 3.81Å; V341-S567 PolarHBondContact N-O 3.44Å; V341-Q568 HydrophobicContact CB-CG 4.42Å; V341-Q568 HydrophobicContact CG1-CG 4.43Å; V341-Q568 CarbonylContact O-C 3.53Å; V341-Q568 VanDerWaalsContact O-CA 3.31Å; V341-Q568 WeakPolarHBondContact O-CA 3.32Å; V341-V569 PolarHBondContact O-N 3.15Å
342V97.4Very high89.1Confident0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-113.7113.1170.6-177.10000107.8V344 Y392 I512 S513 L514 V515 V569 I573V342-V344 PolarHBondContact O-N 2.94Å; V342-Y392 HydrophobicContact CG1-CD2 3.73Å; V342-Y392 HydrophobicContact CG1-CE2 3.75Å; V342-I512 HydrophobicContact CG2-CG2 3.77Å; V342-S513 PolarHBondContact N-O 3.46Å; V342-L514 HydrophobicContact CB-CD2 4Å; V342-L514 HydrophobicContact CG1-CD2 4.5Å; V342-L514 HydrophobicContact CG2-CD2 4.42Å; V342-V515 PolarHBondContact O-N 3.41Å; V342-V569 HydrophobicContact CG2-CB 4.26Å; V342-I573 HydrophobicContact CG1-CD1 4.46Å; V342-I573 HydrophobicContact CG1-CG1 4.01Å; V342-I573 HydrophobicContact CG2-CG1 4.14Å; V342-I573 HydrophobicContact CG2-CG2 4.32Å
343P96.9Very high90.3Very high32 Ų3241.8 Ų41.821%0.20822%0.216CC..EExtended strand (participates in β ladder)trans-69.8127.1177.227.7-30.4000110.6V515 T517 V569P343-V515 CarbonylContact C-O 3.54Å; P343-V515 WeakPolarHBondContact CA-O 3.4Å; P343-T517 HydrophobicContact CB-CG2 3.81Å; P343-V569 VanDerWaalsContact CD-O 3.24Å; P343-V569 WeakPolarHBondContact CD-O 3.41Å
344V97.6Very high91Very high0 Ų049.8 Ų49.80%024%0.243CC..EExtended strand (participates in β ladder)trans-101.998.6174.8-174.20000107.8V342 I385 L388 K389 Y392 L514 V515 T517V342-V344 PolarHBondContact O-N 2.94Å; V344-I385 HydrophobicContact CG1-CG2 4.26Å; V344-L388 HydrophobicContact CG1-CB 3.65Å; V344-L388 HydrophobicContact CG1-CD1 4.1Å; V344-K389 HydrophobicContact CG1-CG 4.3Å; V344-K389 HydrophobicContact CG2-CG 4.14Å; V344-Y392 HydrophobicContact CB-CE2 4.49Å; V344-Y392 HydrophobicContact CG2-CD2 3.77Å; V344-Y392 HydrophobicContact CG2-CE2 3.9Å; V344-Y392 HydrophobicContact CG2-CG 4.49Å; V344-L514 HydrophobicContact CG2-CB 4Å; V344-V515 PolarHBondContact N-O 3.28Å; V344-T517 PolarHBondContact O-N 3.16Å
345N96.2Very high91.7Very high37 Ų3748.8 Ų48.820%0.19824%0.235CC..  trans-110.6109-178.8-174.8-28.6000110.7K347 T348 D349 T517N345-K347 PolarHBondContact O-N 3.18Å; N345-K347 WeakPolarHBondContact OD1-CA 3.48Å; N345-K347 VanDerWaalsContact OD1-CB 3.3Å; N345-K347 WeakPolarHBondContact OD1-CB 3.46Å; N345-K347 PolarHBondContact OD1-N 3.46Å; N345-T348 VanDerWaalsContact CB-OG1 3.32Å; N345-T348 WeakPolarHBondContact CB-OG1 3.47Å; N345-T348 PolarHBondContact O-N 3.12Å; N345-T348 PolarHBondContact O-OG1 3.17Å; N345-T348 PolarHBondContact OD1-N 2.7Å; N345-D349 PolarHBondContact O-N 3.28Å; N345-T517 VanDerWaalsContact CA-OG1 3.3Å; N345-T517 WeakPolarHBondContact CA-OG1 3.33Å; N345-T517 HydrophobicContact CB-CG2 3.88Å; N345-T517 VanDerWaalsContact CB-OG1 3.26Å; N345-T517 WeakPolarHBondContact CB-OG1 3.14Å; N345-T517 VanDerWaalsContact CG-OG1 3.23Å; N345-T517 PolarHBondContact ND2-OG1 3.07Å
346P94.9Very high92.1Very high0 Ų043.9 Ų43.90%022%0.222CC..THydrogen-bonded Turntrans-74.4-14.3-176.435.4-40.4000113.3W352 W381 A384 I385 L388 E518P346-W352 PolarHBondContact O-NE1 3.48Å; P346-W381 HydrophobicContact CB-CE3 3.9Å; P346-W381 HydrophobicContact CB-CZ3 4.49Å; P346-W381 HydrophobicContact CG-CB 4.16Å; P346-W381 HydrophobicContact CG-CE3 3.92Å; P346-W381 WeakPolarHBondContact O-CZ3 3.41Å; P346-A384 HydrophobicContact CB-CB 3.65Å; P346-I385 HydrophobicContact CB-CG1 4.01Å; P346-I385 HydrophobicContact CG-CD1 3.95Å; P346-I385 HydrophobicContact CG-CG1 3.64Å; P346-L388 HydrophobicContact CB-CD1 4.09Å; P346-E518 HydrophobicContact CG-CG 4.17Å
347K93.4Very high92.2Very high91 Ų9151.7 Ų51.740%0.39625%0.253SS..THydrogen-bonded Turntrans-81.2-33.2177.9-61.2174.6178.7162.90111.4N345 W381 E518N345-K347 PolarHBondContact O-N 3.18Å; N345-K347 WeakPolarHBondContact OD1-CA 3.48Å; N345-K347 VanDerWaalsContact OD1-CB 3.3Å; N345-K347 WeakPolarHBondContact OD1-CB 3.46Å; N345-K347 PolarHBondContact OD1-N 3.46Å; K347-W381 HydrophobicContact CG-CD2 4.14Å; K347-W381 HydrophobicContact CG-CE3 4.07Å; K347-W381 HydrophobicContact CG-CH2 3.99Å; K347-W381 HydrophobicContact CG-CZ2 4.05Å; K347-W381 HydrophobicContact CG-CZ3 3.99Å; K347-E518 VanDerWaalsContact CE-CD 3.48Å; K347-E518 VanDerWaalsContact CE-OE1 3.28Å; K347-E518 WeakPolarHBondContact CE-OE1 3.23Å; K347-E518 IonicContact NZ-OE1 2.66Å; K347-E518 PolarHBondContact NZ-OE1 3.44Å; K347-E518 IonicContact NZ-OE2 2.89Å; K347-E518 PolarHBondContact NZ-OE2 2.81Å
348T93.5Very high92.3Very high105 Ų10555.1 Ų55.164%0.64428%0.277SS*.THydrogen-bonded Turntrans-94.6-45.2179.659.10000112.1N345 R350N345-T348 VanDerWaalsContact CB-OG1 3.32Å; N345-T348 WeakPolarHBondContact CB-OG1 3.47Å; N345-T348 PolarHBondContact O-N 3.12Å; N345-T348 PolarHBondContact O-OG1 3.17Å; N345-T348 PolarHBondContact OD1-N 2.7Å; T348-R350 PolarHBondContact O-N 2.88Å
349D94.1Very high92.5Very high26 Ų2655.8 Ų55.814%0.13928%0.28CS..  trans-85.4103.2173.1-167.6-21000110N345 L351 W352 L388 Y392 R395N345-D349 PolarHBondContact O-N 3.28Å; D349-L351 WeakPolarHBondContact OD1-CB 3.49Å; D349-L351 PolarHBondContact OD1-N 2.67Å; D349-W352 PolarHBondContact O-NE1 2.88Å; D349-L388 HydrophobicContact CB-CD1 4.19Å; D349-L388 HydrophobicContact CB-CD2 4.24Å; D349-Y392 WeakPolarHBondContact OD2-CE1 3.41Å; D349-Y392 PolarHBondContact OD2-OH 2.94Å; D349-Y392 VanDerWaalsContact OD2-OH 3.12Å; D349-R395 IonicContact OD2-NH1 2.65Å
350R92Very high92.6Very high122 Ų12255.3 Ų55.346%0.4628%0.278SS..  trans-93.517.1178.4-68.6-172.8160.6-1384.6113.9T348 W352 E353T348-R350 PolarHBondContact O-N 2.88Å; R350-W352 PolarHBondContact O-N 2.61Å; R350-E353 HydrophobicContact CB-CG 4.38Å; R350-E353 IonicContact CZ-OE1 3.46Å; R350-E353 IonicContact CZ-OE2 3.92Å; R350-E353 IonicContact NE-OE1 3.67Å; R350-E353 IonicContact NH1-OE1 3.23Å; R350-E353 PolarHBondContact NH1-OE1 3.13Å; R350-E353 IonicContact NH1-OE2 3.16Å; R350-E353 PolarHBondContact NH1-OE2 3.46Å; R350-E353 VanDerWaalsContact NH1-OE2 3.16Å; R350-E353 PolarHBondContact O-N 3.41Å
351L92.8Very high92.6Very high49 Ų4962.4 Ų62.426%0.25731%0.305SS..G310 helixtrans-57.3-41.4177.117862.4000111.2D349 E353 R354 L355 L388 E391D349-L351 WeakPolarHBondContact OD1-CB 3.49Å; D349-L351 PolarHBondContact OD1-N 2.67Å; L351-E353 PolarHBondContact O-N 2.9Å; L351-E353 VanDerWaalsContact O-N 3.14Å; L351-R354 PolarHBondContact O-N 3.31Å; L351-L355 HydrophobicContact CD1-CD2 4.03Å; L351-L355 HydrophobicContact CD1-CG 4.35Å; L351-L355 HydrophobicContact CG-CD1 4.15Å; L351-L355 HydrophobicContact CG-CD2 4.11Å; L351-L355 HydrophobicContact CG-CG 4.1Å; L351-L355 WeakPolarHBondContact O-CG 3.44Å; L351-L355 PolarHBondContact O-N 3.47Å; L351-L388 HydrophobicContact CB-CD2 4.1Å; L351-E391 HydrophobicContact CD2-CB 4.21Å; L351-E391 HydrophobicContact CD2-CG 4.05Å
352W93.3Very high92.5Very high15 Ų1563 Ų636%0.05731%0.308CS..G310 helixtrans-56.5-30.2-179.467.4-88.8000113.8P346 D349 R350 R354 P373 M380 W381 A384 I387 L388P346-W352 PolarHBondContact O-NE1 3.48Å; D349-W352 PolarHBondContact O-NE1 2.88Å; R350-W352 PolarHBondContact O-N 2.61Å; W352-R354 PolarHBondContact O-N 2.79Å; W352-P373 HydrophobicContact CH2-CB 4.26Å; W352-P373 HydrophobicContact CH2-CG 4.37Å; W352-P373 HydrophobicContact CZ3-CB 4.25Å; W352-P373 HydrophobicContact CZ3-CG 3.86Å; W352-M380 HydrophobicContact CH2-CE 4.15Å; W352-M380 HydrophobicContact CH2-CG 3.82Å; W352-M380 HydrophobicContact CH2-SD 3.91Å; W352-M380 HydrophobicContact CZ2-CE 4.43Å; W352-M380 HydrophobicContact CZ3-CG 4.3Å; W352-W381 HydrophobicContact CZ2-CE3 4.31Å; W352-W381 AromaticContact CZ2-CZ3 3.83Å; W352-W381 HydrophobicContact CZ2-CZ3 3.83Å; W352-A384 HydrophobicContact CD2-CB 3.37Å; W352-A384 VanDerWaalsContact CE2-CB 3.45Å; W352-A384 HydrophobicContact CE3-CB 3.73Å; W352-A384 HydrophobicContact CG-CB 3.73Å; W352-A384 HydrophobicContact CH2-CB 4.2Å; W352-A384 HydrophobicContact CZ2-CB 3.9Å; W352-A384 HydrophobicContact CZ3-CB 4.12Å; W352-I387 HydrophobicContact CB-CB 4.27Å; W352-I387 HydrophobicContact CB-CG2 3.78Å; W352-L388 HydrophobicContact CB-CD2 4.21Å; W352-L388 HydrophobicContact CB-CG 4.16Å; W352-L388 HydrophobicContact CG-CG 4.46Å
353E92.9Very high92.2Very high59 Ų5963.2 Ų63.228%0.27631%0.309SS..G310 helixtrans-66.3-24.4176.6-59.2-177.516700112.3R350 L351 P373R350-E353 HydrophobicContact CB-CG 4.38Å; R350-E353 IonicContact CZ-OE1 3.46Å; R350-E353 IonicContact CZ-OE2 3.92Å; R350-E353 IonicContact NE-OE1 3.67Å; R350-E353 IonicContact NH1-OE1 3.23Å; R350-E353 PolarHBondContact NH1-OE1 3.13Å; R350-E353 IonicContact NH1-OE2 3.16Å; R350-E353 PolarHBondContact NH1-OE2 3.46Å; R350-E353 VanDerWaalsContact NH1-OE2 3.16Å; R350-E353 PolarHBondContact O-N 3.41Å; L351-E353 PolarHBondContact O-N 2.9Å; L351-E353 VanDerWaalsContact O-N 3.14Å; E353-P373 HydrophobicContact CG-CB 4.23Å
354R90.9Very high92Very high197 Ų19765.1 Ų65.174%0.74332%0.318SS*.THydrogen-bonded Turntrans-106.9-13.2-169.5-51.6-179.4-151.4174.95.7113.8L351 W352 G356L351-R354 PolarHBondContact O-N 3.31Å; W352-R354 PolarHBondContact O-N 2.79Å; R354-G356 PolarHBondContact O-N 2.71Å
355L87.9Confident91.9Very high30 Ų3065.1 Ų65.116%0.15732%0.318CS..  trans-70.2-18.2-177.4-67.6170.2000113.1L351 K357 S358 H359 I387 E391L351-L355 HydrophobicContact CD1-CD2 4.03Å; L351-L355 HydrophobicContact CD1-CG 4.35Å; L351-L355 HydrophobicContact CG-CD1 4.15Å; L351-L355 HydrophobicContact CG-CD2 4.11Å; L351-L355 HydrophobicContact CG-CG 4.1Å; L351-L355 WeakPolarHBondContact O-CG 3.44Å; L351-L355 PolarHBondContact O-N 3.47Å; L355-K357 PolarHBondContact O-N 3.4Å; L355-K357 VanDerWaalsContact O-N 3.16Å; L355-S358 WeakPolarHBondContact O-CB 3.49Å; L355-S358 PolarHBondContact O-N 3Å; L355-H359 HydrophobicContact CB-CB 4.08Å; L355-H359 HydrophobicContact CD1-CB 3.92Å; L355-I387 HydrophobicContact CD1-CG2 3.73Å; L355-E391 HydrophobicContact CD1-CG 3.58Å
356G84.1Confident91.8Very high55 Ų5563.7 Ų63.757%0.56731%0.31SS*.THydrogen-bonded Turntrans60.5-117.8-18000000111.2R354 H359R354-G356 PolarHBondContact O-N 2.71Å; G356-H359 PolarHBondContact O-CD2 2.94Å; G356-H359 PolarHBondContact O-NE2 3.05Å
357K81.3Confident91.6Very high203 Ų20367.3 Ų67.388%0.88334%0.34SS*.THydrogen-bonded Turntrans-98.2-1.6173.3-65.4-175.9179.5-179.80113.5L355 H359L355-K357 PolarHBondContact O-N 3.4Å; L355-K357 VanDerWaalsContact O-N 3.16Å; K357-H359 PolarHBondContact O-N 3.11Å; K357-H359 VanDerWaalsContact O-N 3.16Å
358S86.8Confident91.5Very high80 Ų8069.8 Ų69.856%0.55935%0.35SS*.  trans-90.154.4-175.7-175.30000110.8L355L355-S358 WeakPolarHBondContact O-CB 3.49Å; L355-S358 PolarHBondContact O-N 3Å
359H92.8Very high91.4Very high42 Ų4266.8 Ų66.819%0.19433%0.331CS..SBendtrans-140.9170.2177.364.876.1000110.9L355 G356 K357 I387L355-H359 HydrophobicContact CB-CB 4.08Å; L355-H359 HydrophobicContact CD1-CB 3.92Å; G356-H359 PolarHBondContact O-CD2 2.94Å; G356-H359 PolarHBondContact O-NE2 3.05Å; K357-H359 PolarHBondContact O-N 3.11Å; K357-H359 VanDerWaalsContact O-N 3.16Å; H359-I387 HydrophobicContact CB-CG2 3.85Å
360I95.4Very high91.1Very high15 Ų1570.1 Ų70.18%0.07735%0.348CS..  trans-56.2137174.5-174.1160.7000111.5N417 L418 Y421I360-N417 HydrophobicContact CD1-CB 4.49Å; I360-N417 HydrophobicContact CG1-CB 4.34Å; I360-L418 HydrophobicContact CD1-CB 4.1Å; I360-L418 HydrophobicContact CD1-CD1 3.79Å; I360-Y421 HydrophobicContact CB-CD1 3.91Å; I360-Y421 HydrophobicContact CB-CD2 4.15Å; I360-Y421 HydrophobicContact CB-CE1 4.41Å; I360-Y421 HydrophobicContact CB-CG 3.78Å; I360-Y421 HydrophobicContact CD1-CD1 4.45Å; I360-Y421 HydrophobicContact CG1-CD1 4.46Å; I360-Y421 HydrophobicContact CG1-CG 4.19Å
361R94.9Very high91.1Very high150 Ų15066.1 Ų66.157%0.56634%0.338SS*.  trans-67.7134.1169.2-175.4-177.8174.3-175.9-3.8109.3D364 N417R361-D364 IonicContact CZ-OD2 3.42Å; R361-D364 IonicContact NE-OD2 2.78Å; R361-D364 IonicContact NH2-OD2 3.17Å; R361-D364 PolarHBondContact NH2-OD2 2.87Å; R361-N417 VanDerWaalsContact O-CB 3.25Å; R361-N417 WeakPolarHBondContact O-CB 3.44Å; R361-N417 PolarHBondContact O-ND2 3.26Å
362T93.3Very high90.9Very high14 Ų1472.9 Ų72.99%0.08636%0.36CS..  trans-86.5178177.6580000111.9D364 E383 K386 I387 N417T362-D364 PolarHBondContact O-N 3.47Å; T362-E383 WeakPolarHBondContact CB-OE1 3.37Å; T362-E383 WeakPolarHBondContact CG2-OE1 2.84Å; T362-E383 PolarHBondContact OG1-OE1 3.18Å; T362-E383 PolarHBondContact OG1-OE2 2.8Å; T362-K386 HydrophobicContact CG2-CB 3.68Å; T362-K386 HydrophobicContact CG2-CD 4.28Å; T362-I387 HydrophobicContact CG2-CG1 4.06Å; T362-N417 VanDerWaalsContact C-ND2 3.31Å; T362-N417 PolarHBondContact O-ND2 3.44Å
363D91.5Very high90.6Very high6 Ų676 Ų763%0.03238%0.382CS..  trans-80.213.8-174.261.9-11.7000114.2V365 K386 I413 W523D363-V365 PolarHBondContact O-N 2.75Å; D363-V365 VanDerWaalsContact OD1-CG1 3.26Å; D363-V365 WeakPolarHBondContact OD1-CG1 3.16Å; D363-K386 VanDerWaalsContact CG-NZ 3.28Å; D363-K386 WeakPolarHBondContact OD1-CD 3.43Å; D363-K386 WeakPolarHBondContact OD1-CE 3.44Å; D363-K386 IonicContact OD1-NZ 3.76Å; D363-K386 PolarHBondContact OD1-NZ 3.35Å; D363-K386 VanDerWaalsContact OD1-NZ 3.09Å; D363-K386 IonicContact OD2-NZ 3.79Å; D363-K386 PolarHBondContact OD2-NZ 2.72Å; D363-I413 HydrophobicContact CB-CG2 4.21Å; D363-W523 PolarHBondContact O-NE1 3.24Å
364D93.2Very high90.3Very high72 Ų7276.3 Ų76.339%0.38540%0.401SS..SBendtrans56.313.2-178.8-64.3-39.9000114.5R361 T362 H366 A367R361-D364 IonicContact CZ-OD2 3.42Å; R361-D364 IonicContact NE-OD2 2.78Å; R361-D364 IonicContact NH2-OD2 3.17Å; R361-D364 PolarHBondContact NH2-OD2 2.87Å; T362-D364 PolarHBondContact O-N 3.47Å; D364-H366 PolarHBondContact O-N 3.29Å; D364-A367 HydrophobicContact CB-CB 4.3Å; D364-A367 VanDerWaalsContact O-CB 3.24Å; D364-A367 WeakPolarHBondContact O-CB 3.43Å; D364-A367 PolarHBondContact O-N 2.95Å
365V94.4Very high90.2Very high0 Ų068.8 Ų68.80%038%0.381CS..THydrogen-bonded Turntrans-62.3-28178.578.10000111.8D363 K521 W523 T537 T546D363-V365 PolarHBondContact O-N 2.75Å; D363-V365 VanDerWaalsContact OD1-CG1 3.26Å; D363-V365 WeakPolarHBondContact OD1-CG1 3.16Å; V365-K521 WeakPolarHBondContact CG1-O 3.48Å; V365-K521 HydrophobicContact CG2-CG 4.3Å; V365-W523 HydrophobicContact CB-CZ2 4.31Å; V365-W523 HydrophobicContact CG2-CD2 4.18Å; V365-W523 HydrophobicContact CG2-CZ2 4.26Å; V365-T537 WeakPolarHBondContact O-CB 3.42Å; V365-T537 WeakPolarHBondContact O-CG2 3.45Å; V365-T546 HydrophobicContact CG2-CG2 3.39Å
366H94.8Very high90.2Very high7 Ų772.9 Ų72.93%0.03240%0.403CS..THydrogen-bonded Turntrans-99.312.8178.6-65.9-61.8000113.9D364 K368 D369 T371 S382 E383 K521D364-H366 PolarHBondContact O-N 3.29Å; H366-K368 PolarHBondContact O-N 2.78Å; H366-D369 HydrophobicContact CB-CB 4.19Å; H366-D369 IonicContact CE1-OD2 2.97Å; H366-D369 IonicContact CG-OD2 3.65Å; H366-D369 IonicContact ND1-OD2 2.73Å; H366-D369 PolarHBondContact ND1-OD2 3.13Å; H366-D369 PolarHBondContact O-N 3.34Å; H366-T371 HydrophobicContact CB-CG2 3.67Å; H366-S382 PolarHBondContact CE1-OG 3.48Å; H366-S382 VanDerWaalsContact NE2-CB 3.3Å; H366-S382 WeakPolarHBondContact NE2-CB 3.18Å; H366-S382 PolarHBondContact NE2-OG 3.09Å; H366-E383 IonicContact CD2-OE2 2.92Å; H366-E383 PolarHBondContact CD2-OE2 3.47Å; H366-E383 IonicContact CG-OE2 3.91Å; H366-K521 VanDerWaalsContact CE1-CB 3.49Å; H366-K521 WeakPolarHBondContact CE1-CB 3.41Å
367A90.6Very high90.7Very high76 Ų7671.3 Ų71.363%0.62838%0.384SS*.THydrogen-bonded Turntrans-59-17.9-178.100000114.6D364D364-A367 HydrophobicContact CB-CB 4.3Å; D364-A367 VanDerWaalsContact O-CB 3.24Å; D364-A367 WeakPolarHBondContact O-CB 3.43Å; D364-A367 PolarHBondContact O-N 2.95Å
368K90.7Very high91.4Very high142 Ų14265.3 Ų65.362%0.61737%0.365SS*.THydrogen-bonded Turntrans-109.8-3177.1-62.9177.6-178.8168.10113.6H366 Y535H366-K368 PolarHBondContact O-N 2.78Å; K368-Y535 PolarHBondContact NZ-O 2.81Å
369D91.7Very high91.8Very high42 Ų4263.8 Ų63.823%0.22535%0.349CS..SBendtrans-95.4154.8-175.9-62-27.1000109.9H366 T371 E379 K521H366-D369 HydrophobicContact CB-CB 4.19Å; H366-D369 IonicContact CE1-OD2 2.97Å; H366-D369 IonicContact CG-OD2 3.65Å; H366-D369 IonicContact ND1-OD2 2.73Å; H366-D369 PolarHBondContact ND1-OD2 3.13Å; H366-D369 PolarHBondContact O-N 3.34Å; D369-T371 HydrophobicContact CB-CG2 4.21Å; D369-T371 PolarHBondContact O-N 2.94Å; D369-E379 HydrophobicContact CB-CB 3.83Å; D369-E379 HydrophobicContact CB-CG 3.92Å; D369-E379 WeakPolarHBondContact OD2-CG 3.07Å; D369-K521 IonicContact OD1-NZ 2.75Å; D369-K521 IonicContact OD2-NZ 3.87Å; D369-K521 PolarHBondContact OD2-NZ 2.84Å
370N88.6Confident91.9Very high96 Ų9661.9 Ų61.951%0.51334%0.341SS..  trans-86.695.1172.5-177.921.6000110.1R372 S377N370-R372 WeakPolarHBondContact OD1-CG 3.3Å; N370-S377 PolarHBondContact O-OG 2.88Å
371T91.3Very high92Very high38 Ų3862.4 Ų62.423%0.23334%0.342CS..  trans-10316.8-177.957.40000113.8H366 D369 E379 E383H366-T371 HydrophobicContact CB-CG2 3.67Å; D369-T371 HydrophobicContact CB-CG2 4.21Å; D369-T371 PolarHBondContact O-N 2.94Å; T371-E379 HydrophobicContact CG2-CB 4.48Å; T371-E383 HydrophobicContact CG2-CB 3.76Å; T371-E383 HydrophobicContact CG2-CG 4.15Å
372R88Confident92.1Very high191 Ų19155.2 Ų55.272%0.72132%0.315SS*.  trans-64.4140.1-179.8-65.7179-177.7-173.61.8110.9N370 G374 A375N370-R372 WeakPolarHBondContact OD1-CG 3.3Å; R372-G374 PolarHBondContact O-N 2.85Å; R372-A375 VanDerWaalsContact O-CB 3.25Å; R372-A375 WeakPolarHBondContact O-CB 3.18Å; R372-A375 PolarHBondContact O-N 2.77Å
373P87.4Confident92.2Very high80 Ų8055.8 Ų55.852%0.51932%0.316SS..THydrogen-bonded Turntrans-49.5129.4173.1-28.134.5000111.9W352 E353W352-P373 HydrophobicContact CH2-CB 4.26Å; W352-P373 HydrophobicContact CH2-CG 4.37Å; W352-P373 HydrophobicContact CZ3-CB 4.25Å; W352-P373 HydrophobicContact CZ3-CG 3.86Å; E353-P373 HydrophobicContact CG-CB 4.23Å
374G86.8Confident92.5Very high67 Ų6755.5 Ų55.569%0.69132%0.315SS*.THydrogen-bonded Turntrans92.8-6.1-17700000115.8R372 N376 M380R372-G374 PolarHBondContact O-N 2.85Å; G374-N376 PolarHBondContact O-N 3.26Å; G374-M380 PolarHBondContact N-SD 2.97Å
375A88.8Confident92.7Very high39 Ų3952.1 Ų52.132%0.32230%0.296SS..  trans-63.5-25.4174.800000113.5R372 S377 M380R372-A375 VanDerWaalsContact O-CB 3.25Å; R372-A375 WeakPolarHBondContact O-CB 3.18Å; R372-A375 PolarHBondContact O-N 2.77Å; A375-S377 PolarHBondContact O-N 2.7Å; A375-S377 VanDerWaalsContact O-N 3.16Å; A375-M380 HydrophobicContact CB-CB 4.34Å; A375-M380 HydrophobicContact CB-CG 4.48Å; A375-M380 HydrophobicContact CB-SD 3.85Å; A375-M380 PolarHBondContact N-SD 2.59Å
376N88.3Confident92.8Very high115 Ų11553 Ų5362%0.61530%0.301SS*.  trans51.634.6179.1-162.726.9000113.9G374 M380 W381G374-N376 PolarHBondContact O-N 3.26Å; N376-M380 PolarHBondContact N-SD 3.46Å; N376-M380 VanDerWaalsContact N-SD 3.38Å; N376-W381 VanDerWaalsContact OD1-CZ2 3.25Å; N376-W381 WeakPolarHBondContact OD1-CZ2 3.44Å; N376-W381 PolarHBondContact OD1-NE1 2.77Å
377S94.2Very high92.9Very high23 Ų2353.2 Ų53.216%0.16130%0.302CS..  trans-98.8154.8176.960.40000111.3N370 A375 E379 M380 W381N370-S377 PolarHBondContact O-OG 2.88Å; A375-S377 PolarHBondContact O-N 2.7Å; A375-S377 VanDerWaalsContact O-N 3.16Å; S377-E379 PolarHBondContact O-N 2.88Å; S377-M380 WeakPolarHBondContact O-CB 3.44Å; S377-M380 PolarHBondContact O-N 3.24Å; S377-M380 VanDerWaalsContact O-N 3.14Å; S377-M380 WeakPolarHBondContact OG-CB 2.89Å; S377-M380 PolarHBondContact OG-N 3.29Å; S377-M380 VanDerWaalsContact OG-N 3.12Å; S377-W381 PolarHBondContact O-N 2.89Å; S377-W381 VanDerWaalsContact O-N 3.1Å
378P95.2Very high93.2Very high76 Ų7649.6 Ų49.649%0.49427%0.272SS..Hα-helixtrans-52.4-38170.3-27.136.4000112.9W381 S382 W548P378-W381 PolarHBondContact O-N 3.38Å; P378-S382 WeakPolarHBondContact O-CB 3.25Å; P378-S382 PolarHBondContact O-N 2.75Å; P378-W548 HydrophobicContact CB-CH2 3.47Å; P378-W548 VanDerWaalsContact CB-CH2 3.47Å; P378-W548 HydrophobicContact CB-CZ2 3.87Å; P378-W548 HydrophobicContact CB-CZ3 4.18Å
379E95.9Very high93.5Very high48 Ų4843 Ų4322%0.22424%0.243CC..Hα-helixtrans-66.6-39.8178.8-66.973.9-165.500112.3D369 T371 S377 S382 E383 W548D369-E379 HydrophobicContact CB-CB 3.83Å; D369-E379 HydrophobicContact CB-CG 3.92Å; D369-E379 WeakPolarHBondContact OD2-CG 3.07Å; T371-E379 HydrophobicContact CG2-CB 4.48Å; S377-E379 PolarHBondContact O-N 2.88Å; E379-S382 PolarHBondContact O-N 3.37Å; E379-E383 PolarHBondContact O-N 3.42Å; E379-W548 HydrophobicContact CG-CH2 4.44Å
380M95.7Very high93.8Very high2 Ų241.1 Ų41.11%0.0123%0.234CC..Hα-helixtrans-63.1-45.9174.1-178.2-165.277.200110.8W352 G374 A375 N376 S377 S382 E383 A384W352-M380 HydrophobicContact CH2-CE 4.15Å; W352-M380 HydrophobicContact CH2-CG 3.82Å; W352-M380 HydrophobicContact CH2-SD 3.91Å; W352-M380 HydrophobicContact CZ2-CE 4.43Å; W352-M380 HydrophobicContact CZ3-CG 4.3Å; G374-M380 PolarHBondContact N-SD 2.97Å; A375-M380 HydrophobicContact CB-CB 4.34Å; A375-M380 HydrophobicContact CB-CG 4.48Å; A375-M380 HydrophobicContact CB-SD 3.85Å; A375-M380 PolarHBondContact N-SD 2.59Å; N376-M380 PolarHBondContact N-SD 3.46Å; N376-M380 VanDerWaalsContact N-SD 3.38Å; S377-M380 WeakPolarHBondContact O-CB 3.44Å; S377-M380 PolarHBondContact O-N 3.24Å; S377-M380 VanDerWaalsContact O-N 3.14Å; S377-M380 WeakPolarHBondContact OG-CB 2.89Å; S377-M380 PolarHBondContact OG-N 3.29Å; S377-M380 VanDerWaalsContact OG-N 3.12Å; M380-S382 VanDerWaalsContact C-N 3.32Å; M380-S382 PolarHBondContact O-N 3.09Å; M380-E383 PolarHBondContact O-N 2.94Å; M380-A384 WeakPolarHBondContact O-CB 3.15Å; M380-A384 PolarHBondContact O-N 3.42Å
381W96.4Very high94.1Very high26 Ų2637.8 Ų37.810%0.09822%0.215CC..Hα-helixtrans-63.5-39.7178.4-62.8127.4000112.1P346 K347 W352 N376 S377 P378 A384 I385P346-W381 HydrophobicContact CB-CE3 3.9Å; P346-W381 HydrophobicContact CB-CZ3 4.49Å; P346-W381 HydrophobicContact CG-CB 4.16Å; P346-W381 HydrophobicContact CG-CE3 3.92Å; P346-W381 WeakPolarHBondContact O-CZ3 3.41Å; K347-W381 HydrophobicContact CG-CD2 4.14Å; K347-W381 HydrophobicContact CG-CE3 4.07Å; K347-W381 HydrophobicContact CG-CH2 3.99Å; K347-W381 HydrophobicContact CG-CZ2 4.05Å; K347-W381 HydrophobicContact CG-CZ3 3.99Å; W352-W381 HydrophobicContact CZ2-CE3 4.31Å; W352-W381 AromaticContact CZ2-CZ3 3.83Å; W352-W381 HydrophobicContact CZ2-CZ3 3.83Å; N376-W381 VanDerWaalsContact OD1-CZ2 3.25Å; N376-W381 WeakPolarHBondContact OD1-CZ2 3.44Å; N376-W381 PolarHBondContact OD1-NE1 2.77Å; S377-W381 PolarHBondContact O-N 2.89Å; S377-W381 VanDerWaalsContact O-N 3.1Å; P378-W381 PolarHBondContact O-N 3.38Å; W381-A384 PolarHBondContact O-N 2.8Å; W381-I385 WeakPolarHBondContact O-CD1 3.48Å; W381-I385 VanDerWaalsContact O-CG1 3.32Å; W381-I385 WeakPolarHBondContact O-CG1 3.36Å; W381-I385 PolarHBondContact O-N 3.09Å
382S97.1Very high94.4Very high0 Ų036 Ų360%020%0.204CC..Hα-helixtrans-61.5-47.8174.1172.90000112.7H366 P378 E379 M380 A384 I385 K386 E520 K521H366-S382 PolarHBondContact CE1-OG 3.48Å; H366-S382 VanDerWaalsContact NE2-CB 3.3Å; H366-S382 WeakPolarHBondContact NE2-CB 3.18Å; H366-S382 PolarHBondContact NE2-OG 3.09Å; P378-S382 WeakPolarHBondContact O-CB 3.25Å; P378-S382 PolarHBondContact O-N 2.75Å; E379-S382 PolarHBondContact O-N 3.37Å; M380-S382 VanDerWaalsContact C-N 3.32Å; M380-S382 PolarHBondContact O-N 3.09Å; S382-A384 VanDerWaalsContact C-N 3.34Å; S382-A384 PolarHBondContact O-N 3Å; S382-I385 PolarHBondContact O-N 3Å; S382-K386 PolarHBondContact O-N 3.19Å; S382-E520 WeakPolarHBondContact OG-CA 3.49Å; S382-K521 PolarHBondContact OG-N 3.27Å
383E96.2Very high94.9Very high26 Ų2626.9 Ų26.912%0.12117%0.169CC..Hα-helixtrans-62.7-41.1176.4-175.367.9-177.900111.8T362 H366 T371 E379 M380 I385 K386 I387T362-E383 WeakPolarHBondContact CB-OE1 3.37Å; T362-E383 WeakPolarHBondContact CG2-OE1 2.84Å; T362-E383 PolarHBondContact OG1-OE1 3.18Å; T362-E383 PolarHBondContact OG1-OE2 2.8Å; H366-E383 IonicContact CD2-OE2 2.92Å; H366-E383 PolarHBondContact CD2-OE2 3.47Å; H366-E383 IonicContact CG-OE2 3.91Å; T371-E383 HydrophobicContact CG2-CB 3.76Å; T371-E383 HydrophobicContact CG2-CG 4.15Å; E379-E383 PolarHBondContact O-N 3.42Å; M380-E383 PolarHBondContact O-N 2.94Å; E383-I385 VanDerWaalsContact C-N 3.32Å; E383-I385 PolarHBondContact O-N 2.86Å; E383-K386 PolarHBondContact O-N 2.99Å; E383-I387 HydrophobicContact CG-CD1 4.35Å; E383-I387 WeakPolarHBondContact O-CG1 3.31Å; E383-I387 PolarHBondContact O-N 3.32Å; E383-I387 VanDerWaalsContact O-N 3.13Å
384A96.5Very high95.3Very high0 Ų023.3 Ų23.30%015%0.146CC..Hα-helixtrans-59.8-40.1175.900000112.4P346 W352 M380 W381 S382 I387 L388P346-A384 HydrophobicContact CB-CB 3.65Å; W352-A384 HydrophobicContact CD2-CB 3.37Å; W352-A384 VanDerWaalsContact CE2-CB 3.45Å; W352-A384 HydrophobicContact CE3-CB 3.73Å; W352-A384 HydrophobicContact CG-CB 3.73Å; W352-A384 HydrophobicContact CH2-CB 4.2Å; W352-A384 HydrophobicContact CZ2-CB 3.9Å; W352-A384 HydrophobicContact CZ3-CB 4.12Å; M380-A384 WeakPolarHBondContact O-CB 3.15Å; M380-A384 PolarHBondContact O-N 3.42Å; W381-A384 PolarHBondContact O-N 2.8Å; S382-A384 VanDerWaalsContact C-N 3.34Å; S382-A384 PolarHBondContact O-N 3Å; A384-I387 PolarHBondContact O-N 2.87Å; A384-L388 WeakPolarHBondContact O-CB 3.1Å; A384-L388 VanDerWaalsContact O-CG 3.32Å; A384-L388 WeakPolarHBondContact O-CG 3.34Å; A384-L388 PolarHBondContact O-N 3.34Å
385I97.4Very high95.8Very high0 Ų023.2 Ų23.20%013%0.125CC..Hα-helixtrans-61.8-46.5175.7-71.8159.1000111.1V344 P346 W381 S382 E383 I387 L388 K389 A516 E518 E520V344-I385 HydrophobicContact CG1-CG2 4.26Å; P346-I385 HydrophobicContact CB-CG1 4.01Å; P346-I385 HydrophobicContact CG-CD1 3.95Å; P346-I385 HydrophobicContact CG-CG1 3.64Å; W381-I385 WeakPolarHBondContact O-CD1 3.48Å; W381-I385 VanDerWaalsContact O-CG1 3.32Å; W381-I385 WeakPolarHBondContact O-CG1 3.36Å; W381-I385 PolarHBondContact O-N 3.09Å; S382-I385 PolarHBondContact O-N 3Å; E383-I385 VanDerWaalsContact C-N 3.32Å; E383-I385 PolarHBondContact O-N 2.86Å; I385-I387 VanDerWaalsContact C-N 3.26Å; I385-I387 PolarHBondContact O-N 3.08Å; I385-L388 PolarHBondContact O-N 3.1Å; I385-K389 HydrophobicContact CG2-CD 3.89Å; I385-K389 HydrophobicContact CG2-CG 4.21Å; I385-K389 WeakPolarHBondContact O-CB 3.39Å; I385-K389 WeakPolarHBondContact O-CG 3.39Å; I385-K389 PolarHBondContact O-N 2.8Å; I385-A516 HydrophobicContact CD1-CB 4Å; I385-A516 HydrophobicContact CG1-CB 4.47Å; I385-A516 HydrophobicContact CG2-CB 3.72Å; I385-E518 HydrophobicContact CD1-CB 3.85Å; I385-E520 HydrophobicContact CB-CG 4.01Å; I385-E520 HydrophobicContact CD1-CG 3.91Å; I385-E520 HydrophobicContact CG2-CG 3.66Å; I385-E520 WeakPolarHBondContact CG2-OE1 3.37Å
386K96.7Very high96.1Very high20 Ų2021.3 Ų21.39%0.08711%0.109CC..Hα-helixtrans-57.8-41.7178.9-65.2172.2-170.7-82.40111.4T362 D363 S382 E383 G390 K521T362-K386 HydrophobicContact CG2-CB 3.68Å; T362-K386 HydrophobicContact CG2-CD 4.28Å; D363-K386 VanDerWaalsContact CG-NZ 3.28Å; D363-K386 WeakPolarHBondContact OD1-CD 3.43Å; D363-K386 WeakPolarHBondContact OD1-CE 3.44Å; D363-K386 IonicContact OD1-NZ 3.76Å; D363-K386 PolarHBondContact OD1-NZ 3.35Å; D363-K386 VanDerWaalsContact OD1-NZ 3.09Å; D363-K386 IonicContact OD2-NZ 3.79Å; D363-K386 PolarHBondContact OD2-NZ 2.72Å; S382-K386 PolarHBondContact O-N 3.19Å; E383-K386 PolarHBondContact O-N 2.99Å; K386-G390 PolarHBondContact O-N 2.73Å; K386-K521 VanDerWaalsContact CE-O 3.31Å; K386-K521 WeakPolarHBondContact CE-O 3.37Å; K386-K521 PolarHBondContact NZ-O 2.97Å
387I96.8Very high96.5Very high11 Ų1115.9 Ų15.96%0.0568%0.08CC..Hα-helixtrans-63.7-51.5175.3-68171.1000110.9W352 L355 H359 T362 E383 A384 I385 K389 G390 E391W352-I387 HydrophobicContact CB-CB 4.27Å; W352-I387 HydrophobicContact CB-CG2 3.78Å; L355-I387 HydrophobicContact CD1-CG2 3.73Å; H359-I387 HydrophobicContact CB-CG2 3.85Å; T362-I387 HydrophobicContact CG2-CG1 4.06Å; E383-I387 HydrophobicContact CG-CD1 4.35Å; E383-I387 WeakPolarHBondContact O-CG1 3.31Å; E383-I387 PolarHBondContact O-N 3.32Å; E383-I387 VanDerWaalsContact O-N 3.13Å; A384-I387 PolarHBondContact O-N 2.87Å; I385-I387 VanDerWaalsContact C-N 3.26Å; I385-I387 PolarHBondContact O-N 3.08Å; I387-K389 VanDerWaalsContact C-N 3.33Å; I387-K389 PolarHBondContact O-N 3.33Å; I387-G390 PolarHBondContact O-N 2.8Å; I387-E391 PolarHBondContact O-N 3.06Å
388L97.4Very high96.5Very high0 Ų019.6 Ų19.60%09%0.094CC..Hα-helixtrans-61.6-38.7-178.9-74.2173.4000112.6V344 P346 D349 L351 W352 A384 I385 G390 E391 Y392V344-L388 HydrophobicContact CG1-CB 3.65Å; V344-L388 HydrophobicContact CG1-CD1 4.1Å; P346-L388 HydrophobicContact CB-CD1 4.09Å; D349-L388 HydrophobicContact CB-CD1 4.19Å; D349-L388 HydrophobicContact CB-CD2 4.24Å; L351-L388 HydrophobicContact CB-CD2 4.1Å; W352-L388 HydrophobicContact CB-CD2 4.21Å; W352-L388 HydrophobicContact CB-CG 4.16Å; W352-L388 HydrophobicContact CG-CG 4.46Å; A384-L388 WeakPolarHBondContact O-CB 3.1Å; A384-L388 VanDerWaalsContact O-CG 3.32Å; A384-L388 WeakPolarHBondContact O-CG 3.34Å; A384-L388 PolarHBondContact O-N 3.34Å; I385-L388 PolarHBondContact O-N 3.1Å; L388-G390 VanDerWaalsContact C-N 3.28Å; L388-G390 PolarHBondContact O-N 3.1Å; L388-E391 WeakPolarHBondContact O-CB 3.28Å; L388-E391 PolarHBondContact O-N 3.02Å; L388-E391 VanDerWaalsContact O-N 3.08Å; L388-Y392 HydrophobicContact CB-CE1 4.46Å; L388-Y392 HydrophobicContact CD2-CE1 4.31Å; L388-Y392 WeakPolarHBondContact O-CB 3.38Å; L388-Y392 WeakPolarHBondContact O-CD1 3.4Å; L388-Y392 PolarHBondContact O-N 3.45Å
389K97.6Very high96.5Very high4 Ų420.2 Ų20.22%0.0179%0.09CC..Hα-helixtrans-59.3-38.3177-81.6179.4163.5-174.80112.5V344 I385 I387 Y392 A393 V486 L514 E520 E551V344-K389 HydrophobicContact CG1-CG 4.3Å; V344-K389 HydrophobicContact CG2-CG 4.14Å; I385-K389 HydrophobicContact CG2-CD 3.89Å; I385-K389 HydrophobicContact CG2-CG 4.21Å; I385-K389 WeakPolarHBondContact O-CB 3.39Å; I385-K389 WeakPolarHBondContact O-CG 3.39Å; I385-K389 PolarHBondContact O-N 2.8Å; I387-K389 VanDerWaalsContact C-N 3.33Å; I387-K389 PolarHBondContact O-N 3.33Å; K389-Y392 PolarHBondContact O-N 3.15Å; K389-A393 WeakPolarHBondContact O-CB 3.41Å; K389-A393 PolarHBondContact O-N 2.65Å; K389-V486 HydrophobicContact CB-CG1 4.11Å; K389-V486 VanDerWaalsContact CD-O 3.23Å; K389-V486 WeakPolarHBondContact CD-O 3.4Å; K389-V486 WeakPolarHBondContact CE-O 3.38Å; K389-V486 PolarHBondContact NZ-O 3.07Å; K389-L514 HydrophobicContact CB-CD1 4.45Å; K389-L514 HydrophobicContact CG-CB 4.4Å; K389-L514 HydrophobicContact CG-CD1 4.48Å; K389-L514 WeakPolarHBondContact O-CD1 3.46Å; K389-E520 WeakPolarHBondContact CE-OE1 3.07Å; K389-E520 IonicContact NZ-OE1 2.61Å; K389-E520 PolarHBondContact NZ-OE1 2.89Å; K389-E551 WeakPolarHBondContact CE-OE2 3.15Å; K389-E551 IonicContact NZ-OE1 3.29Å; K389-E551 PolarHBondContact NZ-OE1 3.26Å; K389-E551 IonicContact NZ-OE2 2.79Å; K389-E551 PolarHBondContact NZ-OE2 3.07Å
390G96.6Very high96.2Very high2 Ų219.4 Ų19.42%0.0219%0.086CC..Hα-helixtrans-61.8-44.4172.100000112.6K386 I387 L388 A393 V394K386-G390 PolarHBondContact O-N 2.73Å; I387-G390 PolarHBondContact O-N 2.8Å; L388-G390 VanDerWaalsContact C-N 3.28Å; L388-G390 PolarHBondContact O-N 3.1Å; G390-A393 PolarHBondContact O-N 2.93Å; G390-V394 PolarHBondContact O-N 3.09Å
391E96.6Very high96Very high25 Ų2527.1 Ų27.112%0.11712%0.119CC..Hα-helixtrans-65.7-40.4176.4-66.4-52.8132.900112.8L351 L355 I387 L388 A393 V394 R395 Y421L351-E391 HydrophobicContact CD2-CB 4.21Å; L351-E391 HydrophobicContact CD2-CG 4.05Å; L355-E391 HydrophobicContact CD1-CG 3.58Å; I387-E391 PolarHBondContact O-N 3.06Å; L388-E391 WeakPolarHBondContact O-CB 3.28Å; L388-E391 PolarHBondContact O-N 3.02Å; L388-E391 VanDerWaalsContact O-N 3.08Å; E391-A393 VanDerWaalsContact C-N 3.34Å; E391-V394 PolarHBondContact O-N 3.29Å; E391-R395 WeakPolarHBondContact O-CB 3.46Å; E391-R395 PolarHBondContact O-N 3.47Å; E391-Y421 PolarHBondContact OE1-OH 3.25Å
392Y97.8Very high95.8Very high0 Ų025.9 Ų25.90%012%0.115CC..Hα-helixtrans-68.3-36.1-179.7-83.340.9000110.9V342 V344 D349 L388 K389 R395 A396 L514 P571 I573V342-Y392 HydrophobicContact CG1-CD2 3.73Å; V342-Y392 HydrophobicContact CG1-CE2 3.75Å; V344-Y392 HydrophobicContact CB-CE2 4.49Å; V344-Y392 HydrophobicContact CG2-CD2 3.77Å; V344-Y392 HydrophobicContact CG2-CE2 3.9Å; V344-Y392 HydrophobicContact CG2-CG 4.49Å; D349-Y392 WeakPolarHBondContact OD2-CE1 3.41Å; D349-Y392 PolarHBondContact OD2-OH 2.94Å; D349-Y392 VanDerWaalsContact OD2-OH 3.12Å; L388-Y392 HydrophobicContact CB-CE1 4.46Å; L388-Y392 HydrophobicContact CD2-CE1 4.31Å; L388-Y392 WeakPolarHBondContact O-CB 3.38Å; L388-Y392 WeakPolarHBondContact O-CD1 3.4Å; L388-Y392 PolarHBondContact O-N 3.45Å; K389-Y392 PolarHBondContact O-N 3.15Å; Y392-R395 PolarHBondContact O-N 3.01Å; Y392-A396 WeakPolarHBondContact O-CB 3.41Å; Y392-A396 PolarHBondContact O-N 3.14Å; Y392-L514 HydrophobicContact CD2-CD2 4.24Å; Y392-P571 HydrophobicContact CE2-CB 4.33Å; Y392-P571 WeakPolarHBondContact OH-CB 3.49Å; Y392-I573 HydrophobicContact CD2-CD1 4.26Å; Y392-I573 HydrophobicContact CG-CD1 4.32Å; Y392-I573 VanDerWaalsContact O-CD1 3.32Å; Y392-I573 WeakPolarHBondContact O-CD1 3.36Å
393A97.6Very high95.4Very high0 Ų029.4 Ų29.40%013%0.134CC..Hα-helixtrans-60.8-44.8171.600000111.6K389 G390 E391 A396 I397 V486K389-A393 WeakPolarHBondContact O-CB 3.41Å; K389-A393 PolarHBondContact O-N 2.65Å; G390-A393 PolarHBondContact O-N 2.93Å; E391-A393 VanDerWaalsContact C-N 3.34Å; A393-A396 PolarHBondContact O-N 3.24Å; A393-I397 WeakPolarHBondContact O-CD1 3.18Å; A393-I397 VanDerWaalsContact O-CG1 3.29Å; A393-I397 WeakPolarHBondContact O-CG1 3.32Å; A393-I397 PolarHBondContact O-N 2.98Å; A393-I397 VanDerWaalsContact O-N 3.09Å; A393-V486 HydrophobicContact CB-CG2 4.45Å
394V96.4Very high95.3Very high5 Ų530.6 Ų30.63%0.0314%0.139CC..Hα-helixtrans-63.3-42.1175171.30000111.5G390 E391 I397 K398 Y421 F422 F436G390-V394 PolarHBondContact O-N 3.09Å; E391-V394 PolarHBondContact O-N 3.29Å; V394-I397 PolarHBondContact O-N 3.49Å; V394-K398 HydrophobicContact CG1-CD 4.04Å; V394-K398 WeakPolarHBondContact O-CG 3.43Å; V394-K398 PolarHBondContact O-N 3.25Å; V394-Y421 HydrophobicContact CG2-CD1 4.2Å; V394-Y421 HydrophobicContact CG2-CE1 3.67Å; V394-F422 HydrophobicContact CG2-CD1 4.42Å; V394-F422 HydrophobicContact CG2-CE1 3.93Å; V394-F436 HydrophobicContact CB-CE1 4.45Å; V394-F436 HydrophobicContact CG1-CE1 4.04Å; V394-F436 HydrophobicContact CG1-CZ 3.86Å; V394-F436 HydrophobicContact CG2-CE1 4.28Å
395R96.1Very high95.2Very high65 Ų6530.6 Ų30.625%0.24514%0.139CC..Hα-helixtrans-61.8-48.3177.9-172.4179.5-61.8166.94.5111.2D349 E391 Y392 I397 K398 E399 P571 I573D349-R395 IonicContact OD2-NH1 2.65Å; E391-R395 WeakPolarHBondContact O-CB 3.46Å; E391-R395 PolarHBondContact O-N 3.47Å; Y392-R395 PolarHBondContact O-N 3.01Å; R395-I397 VanDerWaalsContact C-N 3.33Å; R395-I397 PolarHBondContact O-N 2.88Å; R395-K398 PolarHBondContact O-N 3.29Å; R395-E399 WeakPolarHBondContact O-CB 3.09Å; R395-E399 PolarHBondContact O-N 2.96Å; R395-P571 VanDerWaalsContact CD-O 3.23Å; R395-P571 WeakPolarHBondContact CD-O 3.46Å; R395-P571 PolarHBondContact NH1-O 3.03Å; R395-I573 HydrophobicContact CB-CD1 4.02Å; R395-I573 HydrophobicContact CG-CD1 4.1Å; R395-I573 HydrophobicContact CG-CG1 4.45Å
396A96.1Very high95.1Very high0 Ų030.6 Ų30.60%014%0.139CC..Hα-helixtrans-57.4-45176.600000112Y392 A393 K398 H400 M402 I484 I512 I573Y392-A396 WeakPolarHBondContact O-CB 3.41Å; Y392-A396 PolarHBondContact O-N 3.14Å; A393-A396 PolarHBondContact O-N 3.24Å; A396-K398 VanDerWaalsContact C-N 3.35Å; A396-K398 PolarHBondContact O-N 2.89Å; A396-H400 PolarHBondContact O-CD2 3.49Å; A396-H400 PolarHBondContact O-N 3Å; A396-H400 VanDerWaalsContact O-N 3.14Å; A396-M402 HydrophobicContact CB-CE 4.27Å; A396-I484 HydrophobicContact CB-CD1 4.14Å; A396-I512 HydrophobicContact CB-CD1 4.06Å; A396-I573 HydrophobicContact CB-CD1 4.03Å; A396-I573 HydrophobicContact CB-CG2 4.03Å
397I96.1Very high95.2Very high0 Ų029.7 Ų29.70%014%0.135CC..Hα-helixtrans-60.1-44.5177.2-73.4164.2000111.6A393 V394 R395 K401 M402 I407 F422 Q435 F436 F464 I484A393-I397 WeakPolarHBondContact O-CD1 3.18Å; A393-I397 VanDerWaalsContact O-CG1 3.29Å; A393-I397 WeakPolarHBondContact O-CG1 3.32Å; A393-I397 PolarHBondContact O-N 2.98Å; A393-I397 VanDerWaalsContact O-N 3.09Å; V394-I397 PolarHBondContact O-N 3.49Å; R395-I397 VanDerWaalsContact C-N 3.33Å; R395-I397 PolarHBondContact O-N 2.88Å; I397-K401 WeakPolarHBondContact O-CA 3.15Å; I397-K401 PolarHBondContact O-N 3.14Å; I397-K401 VanDerWaalsContact O-N 3.16Å; I397-M402 HydrophobicContact CG1-SD 4.09Å; I397-M402 PolarHBondContact O-N 3.15Å; I397-M402 VanDerWaalsContact O-N 3.13Å; I397-I407 HydrophobicContact CD1-CD1 4.22Å; I397-F422 HydrophobicContact CD1-CE1 4.15Å; I397-F422 HydrophobicContact CD1-CE2 3.83Å; I397-F422 HydrophobicContact CD1-CZ 3.36Å; I397-Q435 HydrophobicContact CG2-CG 3.97Å; I397-F436 HydrophobicContact CB-CE1 4.1Å; I397-F436 HydrophobicContact CD1-CD1 4.19Å; I397-F436 HydrophobicContact CD1-CE1 4.11Å; I397-F436 HydrophobicContact CG2-CD1 4.18Å; I397-F436 HydrophobicContact CG2-CE1 3.6Å; I397-F436 HydrophobicContact CG2-CZ 4.25Å; I397-F464 HydrophobicContact CB-CZ 4.21Å; I397-F464 HydrophobicContact CD1-CD2 4.17Å; I397-F464 HydrophobicContact CD1-CE1 4.4Å; I397-F464 HydrophobicContact CD1-CE2 3.62Å; I397-F464 HydrophobicContact CD1-CZ 3.81Å; I397-F464 HydrophobicContact CG1-CE1 4.16Å; I397-F464 HydrophobicContact CG1-CE2 4.03Å; I397-F464 HydrophobicContact CG1-CZ 3.66Å; I397-F464 HydrophobicContact CG2-CE2 3.83Å; I397-F464 HydrophobicContact CG2-CZ 3.53Å; I397-I484 HydrophobicContact CD1-CD1 4.45Å; I397-I484 HydrophobicContact CG1-CD1 3.93Å
398K95.3Very high95.2Very high102 Ų10229.3 Ų29.344%0.44313%0.133SC..Hα-helixtrans-70.7-48-178.1-73.1177.3-178.4177.20111.8V394 R395 A396 K401 F436V394-K398 HydrophobicContact CG1-CD 4.04Å; V394-K398 WeakPolarHBondContact O-CG 3.43Å; V394-K398 PolarHBondContact O-N 3.25Å; R395-K398 PolarHBondContact O-N 3.29Å; A396-K398 VanDerWaalsContact C-N 3.35Å; A396-K398 PolarHBondContact O-N 2.89Å; K398-K401 PolarHBondContact O-N 2.88Å; K398-F436 HydrophobicContact CD-CZ 4.43Å; K398-F436 HydrophobicContact CG-CZ 4.06Å
399E93.9Very high95.2Very high89 Ų8929.3 Ų29.342%0.41613%0.133SC..Hα-helixtrans-61.6-49.3-176.1-173.957.6-150.100111.1R395 K401 K574R395-E399 WeakPolarHBondContact O-CB 3.09Å; R395-E399 PolarHBondContact O-N 2.96Å; E399-K401 VanDerWaalsContact C-N 3.29Å; E399-K401 PolarHBondContact O-N 2.92Å; E399-K574 HydrophobicContact CG-CG 4.38Å
400H90.3Very high95Very high30 Ų3030.9 Ų30.914%0.13914%0.139CC..THydrogen-bonded Turntrans-86.62.9-179.4-62.8-64.2000114.2A396 M402 Y482 I512 I573 V575A396-H400 PolarHBondContact O-CD2 3.49Å; A396-H400 PolarHBondContact O-N 3Å; A396-H400 VanDerWaalsContact O-N 3.14Å; H400-M402 HydrophobicContact CB-CE 4.1Å; H400-M402 HydrophobicContact CB-CG 4.03Å; H400-M402 PolarHBondContact O-N 3.47Å; H400-Y482 HydrophobicContact CB-CE1 4.05Å; H400-Y482 PolarHBondContact O-OH 3.48Å; H400-I512 VanDerWaalsContact CD2-CD1 3.46Å; H400-I512 WeakPolarHBondContact CD2-CD1 3.39Å; H400-I573 PolarHBondContact CE1-O 2.88Å; H400-I573 PolarHBondContact NE2-O 3.22Å; H400-V575 VanDerWaalsContact CE1-CG2 3.49Å; H400-V575 WeakPolarHBondContact CE1-CG2 3.29Å; H400-V575 WeakPolarHBondContact NE2-CG2 3.31Å
401K91.8Very high94.8Very high165 Ų16532 Ų3272%0.71715%0.146SC*.THydrogen-bonded Turntrans47.645.7-178.8-60.1178.2-177.1172.90112.5I397 K398 E399 D403I397-K401 WeakPolarHBondContact O-CA 3.15Å; I397-K401 PolarHBondContact O-N 3.14Å; I397-K401 VanDerWaalsContact O-N 3.16Å; K398-K401 PolarHBondContact O-N 2.88Å; E399-K401 VanDerWaalsContact C-N 3.29Å; E399-K401 PolarHBondContact O-N 2.92Å; K401-D403 PolarHBondContact O-N 3.25Å
402M92.2Very high94.5Very high0 Ų034.4 Ų34.40%016%0.156CC..  trans-56.9125.5-170.3-61.9-175.617700111.4A396 I397 H400 A405 R463 F464 Y482 I484 I512A396-M402 HydrophobicContact CB-CE 4.27Å; I397-M402 HydrophobicContact CG1-SD 4.09Å; I397-M402 PolarHBondContact O-N 3.15Å; I397-M402 VanDerWaalsContact O-N 3.13Å; H400-M402 HydrophobicContact CB-CE 4.1Å; H400-M402 HydrophobicContact CB-CG 4.03Å; H400-M402 PolarHBondContact O-N 3.47Å; M402-A405 HydrophobicContact SD-CB 4.1Å; M402-R463 PolarHBondContact O-NH1 3.11Å; M402-F464 HydrophobicContact CB-CE1 3.88Å; M402-F464 HydrophobicContact CB-CZ 4.12Å; M402-Y482 HydrophobicContact CB-CD2 3.8Å; M402-Y482 HydrophobicContact CB-CE2 4.14Å; M402-Y482 HydrophobicContact CB-CG 4.26Å; M402-Y482 HydrophobicContact CE-CD1 3.86Å; M402-Y482 HydrophobicContact CE-CG 4.06Å; M402-Y482 HydrophobicContact CG-CD1 3.97Å; M402-Y482 HydrophobicContact CG-CD2 3.68Å; M402-Y482 HydrophobicContact CG-CE1 4.28Å; M402-Y482 HydrophobicContact CG-CE2 4.05Å; M402-Y482 HydrophobicContact CG-CG 3.67Å; M402-Y482 HydrophobicContact SD-CD1 4.29Å; M402-Y482 HydrophobicContact SD-CD2 4.4Å; M402-Y482 HydrophobicContact SD-CG 3.91Å; M402-I484 HydrophobicContact CE-CD1 4Å; M402-I484 HydrophobicContact CE-CG1 4.05Å; M402-I484 HydrophobicContact SD-CD1 3.78Å; M402-I484 HydrophobicContact SD-CG1 4.19Å; M402-I512 HydrophobicContact CE-CD1 3.73Å
403D89.1Confident94.3Very high74 Ų7437.9 Ų37.940%0.39617%0.173SC..SBendtrans-90.8-35.3178.260.3-15.8000111.3K401 R463 Y482K401-D403 PolarHBondContact O-N 3.25Å; D403-R463 WeakPolarHBondContact O-CB 3.28Å; D403-R463 WeakPolarHBondContact O-CG 3.43Å; D403-Y482 WeakPolarHBondContact OD1-CE2 3.36Å
404Q92.6Very high94.2Very high51 Ų5139.6 Ų39.624%0.23818%0.183CC..SBendtrans-151.4129.6174.2-164.2176.933.200111.3F457 R463 V480 Y482Q404-F457 HydrophobicContact CG-CD2 4.41Å; Q404-F457 HydrophobicContact CG-CE2 3.51Å; Q404-F457 HydrophobicContact CG-CZ 3.59Å; Q404-F457 PolarHBondContact NE2-O 2.77Å; Q404-F457 VanDerWaalsContact NE2-O 3.1Å; Q404-R463 CarbonylContact C-O 3.52Å; Q404-R463 VanDerWaalsContact CA-O 3.23Å; Q404-R463 WeakPolarHBondContact CA-O 3.25Å; Q404-V480 HydrophobicContact CB-CG1 4.45Å; Q404-V480 HydrophobicContact CG-CG1 4.17Å; Q404-V480 WeakPolarHBondContact O-CG1 3.26Å; Q404-Y482 WeakPolarHBondContact O-CD2 3.44Å; Q404-Y482 PolarHBondContact O-N 3.37Å
405A94.8Very high94.2Very high0 Ų039.3 Ų39.30%018%0.181CC..EExtended strand (participates in β ladder)trans-144.4152.5177.200000113.4M402 F457 R463 F464 L465 Y482M402-A405 HydrophobicContact SD-CB 4.1Å; A405-F457 WeakPolarHBondContact O-CE2 3.45Å; A405-R463 PolarHBondContact N-O 3.05Å; A405-F464 HydrophobicContact CB-CD1 3.59Å; A405-F464 HydrophobicContact CB-CE1 3.73Å; A405-F464 WeakPolarHBondContact O-CA 3.48Å; A405-L465 PolarHBondContact O-N 3.14Å; A405-L465 VanDerWaalsContact O-N 3.08Å; A405-Y482 WeakPolarHBondContact CA-O 3.48Å; A405-Y482 WeakPolarHBondContact CB-O 3.25Å
406I96.1Very high94.2Very high0 Ų038.5 Ų38.50%018%0.182CC..EExtended strand (participates in β ladder)trans-99.6130.4163-59.9176.1000108.3F408 F457 L465 C467 I477 V480 Y482 V483 I484 R501I406-F408 HydrophobicContact CB-CE2 4.28Å; I406-F408 HydrophobicContact CG2-CD2 3.98Å; I406-F408 HydrophobicContact CG2-CE1 4.45Å; I406-F408 HydrophobicContact CG2-CE2 3.49Å; I406-F408 VanDerWaalsContact CG2-CE2 3.49Å; I406-F408 HydrophobicContact CG2-CZ 3.76Å; I406-F457 HydrophobicContact CG1-CE1 4.22Å; I406-F457 HydrophobicContact CG1-CZ 3.94Å; I406-L465 WeakPolarHBondContact CA-O 3.43Å; I406-L465 HydrophobicContact CG1-CB 4.43Å; I406-C467 VanDerWaalsContact CG2-SG 3.54Å; I406-I477 HydrophobicContact CD1-CG2 4.18Å; I406-V480 HydrophobicContact CD1-CG2 3.91Å; I406-V480 HydrophobicContact CG1-CG1 4.45Å; I406-V480 HydrophobicContact CG1-CG2 4.09Å; I406-Y482 PolarHBondContact N-O 2.68Å; I406-Y482 VanDerWaalsContact N-O 3.14Å; I406-V483 HydrophobicContact CB-CG2 4.11Å; I406-V483 CarbonylContact O-C 3.51Å; I406-V483 VanDerWaalsContact O-CA 3.28Å; I406-V483 WeakPolarHBondContact O-CA 3.46Å; I406-I484 PolarHBondContact O-N 2.93Å; I406-R501 HydrophobicContact CD1-CB 3.93Å; I406-R501 HydrophobicContact CD1-CG 4.2Å
407I97.9Very high94.2Very high0 Ų039.2 Ų39.20%019%0.185CC..EExtended strand (participates in β ladder)trans-114.5117-179.2-53179.8000108.6I397 L418 F422 F464 L465 I466 C467 I484 V486I397-I407 HydrophobicContact CD1-CD1 4.22Å; I407-L418 HydrophobicContact CG2-CD2 3.63Å; I407-F422 HydrophobicContact CD1-CE2 3.69Å; I407-F422 HydrophobicContact CD1-CZ 3.9Å; I407-F464 HydrophobicContact CD1-CB 4.05Å; I407-F464 HydrophobicContact CD1-CD1 4.31Å; I407-F464 HydrophobicContact CD1-CG 4.09Å; I407-L465 PolarHBondContact N-O 3.03Å; I407-I466 HydrophobicContact CB-CG1 4.26Å; I407-I466 HydrophobicContact CD1-CG1 4.39Å; I407-I466 CarbonylContact O-C 3.43Å; I407-I466 WeakPolarHBondContact O-CA 3.49Å; I407-C467 PolarHBondContact O-N 2.91Å; I407-I484 CarbonylContact C-O 3.51Å; I407-I484 WeakPolarHBondContact CA-O 3.19Å; I407-I484 HydrophobicContact CD1-CD1 4.41Å; I407-I484 HydrophobicContact CG1-CB 4.28Å; I407-I484 HydrophobicContact CG1-CD1 4.39Å; I407-I484 HydrophobicContact CG2-CB 4.21Å; I407-I484 HydrophobicContact CG2-CG2 4.44Å; I407-V486 HydrophobicContact CG2-CG2 3.46Å; I407-V486 VanDerWaalsContact CG2-CG2 3.46Å
408F97.7Very high94.3Very high3 Ų339.3 Ų39.31%0.01319%0.186CC..EExtended strand (participates in β ladder)trans-95.2126.1-179.6-74-83.5000111.5I406 C467 A472 V483 I484 V486 R498 R501I406-F408 HydrophobicContact CB-CE2 4.28Å; I406-F408 HydrophobicContact CG2-CD2 3.98Å; I406-F408 HydrophobicContact CG2-CE1 4.45Å; I406-F408 HydrophobicContact CG2-CE2 3.49Å; I406-F408 VanDerWaalsContact CG2-CE2 3.49Å; I406-F408 HydrophobicContact CG2-CZ 3.76Å; F408-C467 WeakPolarHBondContact CA-O 3.38Å; F408-A472 HydrophobicContact CD1-CB 4.48Å; F408-A472 HydrophobicContact CE1-CB 3.4Å; F408-A472 VanDerWaalsContact CE1-CB 3.4Å; F408-A472 HydrophobicContact CZ-CB 3.9Å; F408-V483 HydrophobicContact CD2-CG1 4.03Å; F408-V483 HydrophobicContact CE2-CG1 4.25Å; F408-V483 HydrophobicContact CE2-CG2 4.31Å; F408-I484 PolarHBondContact N-O 3.2Å; F408-V486 WeakPolarHBondContact O-CB 3.05Å; F408-V486 PolarHBondContact O-N 3.3Å; F408-R498 HydrophobicContact CD1-CG 3.76Å; F408-R498 HydrophobicContact CD2-CB 3.88Å; F408-R498 HydrophobicContact CD2-CG 3.77Å; F408-R498 HydrophobicContact CE1-CG 3.74Å; F408-R498 HydrophobicContact CE2-CB 3.72Å; F408-R498 HydrophobicContact CE2-CG 3.77Å; F408-R498 HydrophobicContact CG-CB 4.39Å; F408-R498 HydrophobicContact CG-CG 3.77Å; F408-R498 HydrophobicContact CZ-CB 4.08Å; F408-R498 HydrophobicContact CZ-CG 3.76Å; F408-R501 HydrophobicContact CE2-CG 4.5Å; F408-R501 HydrophobicContact CZ-CG 4.29Å
409C96.3Very high94.4Very high1 Ų134.9 Ų34.91%0.00717%0.167CC..  trans-118.3152.5170.2-57.30000109.8D414 C467 T468C409-D414 HydrophobicContact CB-CB 3.82Å; C409-C467 PolarHBondContact N-O 3.46Å; C409-T468 WeakPolarHBondContact O-CA 3.36Å
410R93.2Very high94.6Very high36 Ų3635.1 Ų35.114%0.13617%0.168CC..SBendtrans-70.7-42-179.2-175.8174.3178.7-77.7-16.3112.5T487 D490 W523R410-T487 HydrophobicContact CB-CG2 3.79Å; R410-D490 IonicContact CZ-OD1 2.81Å; R410-D490 IonicContact CZ-OD2 3.69Å; R410-D490 IonicContact NE-OD1 3.56Å; R410-D490 PolarHBondContact NE-OD1 3Å; R410-D490 IonicContact NE-OD2 3.28Å; R410-D490 PolarHBondContact NE-OD2 3.1Å; R410-D490 IonicContact NH2-OD1 3.74Å; R410-D490 PolarHBondContact NH2-OD1 3.29Å; R410-D490 IonicContact NH2-OD2 3.33Å; R410-D490 PolarHBondContact NH2-OD2 2.95Å; R410-W523 PolarHBondContact NH1-O 2.9Å
411T92.3Very high94.9Very high26 Ų2633.9 Ų33.916%0.1616%0.162CC..SBendtrans-117.1162.5-177.380.70000113.3I413 D414 C415T411-I413 VanDerWaalsContact C-N 3.3Å; T411-I413 PolarHBondContact OG1-N 3.25Å; T411-D414 WeakPolarHBondContact CB-OD2 3.31Å; T411-D414 WeakPolarHBondContact CG2-OD2 3.45Å; T411-D414 PolarHBondContact N-OD2 3.43Å; T411-D414 PolarHBondContact O-N 3.03Å; T411-D414 PolarHBondContact OG1-N 3.41Å; T411-D414 VanDerWaalsContact OG1-N 3.17Å; T411-D414 PolarHBondContact OG1-OD2 2.91Å; T411-C415 PolarHBondContact O-N 3.07Å; T411-C415 PolarHBondContact O-SG 2.89Å
412K92.1Very high95.2Very high75 Ų7526 Ų2633%0.32613%0.128SC..Hα-helixtrans-63.9-37.7175.4-55.4-178-174.9167.20111.7C415 D416 H442 D444 T468K412-C415 WeakPolarHBondContact O-CB 3.18Å; K412-C415 PolarHBondContact O-N 3.21Å; K412-D416 PolarHBondContact O-N 3.46Å; K412-D416 VanDerWaalsContact O-N 3.09Å; K412-H442 HydrophobicContact CB-CB 4.39Å; K412-H442 HydrophobicContact CG-CB 4.01Å; K412-D444 HydrophobicContact CD-CB 4.04Å; K412-D444 WeakPolarHBondContact CD-OD2 3.19Å; K412-D444 IonicContact NZ-OD1 2.82Å; K412-D444 PolarHBondContact NZ-OD1 3.32Å; K412-D444 IonicContact NZ-OD2 3.37Å; K412-T468 HydrophobicContact CG-CG2 4.29Å
413I93Very high95.4Very high73 Ų7329 Ų2937%0.37414%0.143SC..Hα-helixtrans-65.7-42178.6-63.3170.4000109.8D363 T411 C415 D416 N417D363-I413 HydrophobicContact CB-CG2 4.21Å; T411-I413 VanDerWaalsContact C-N 3.3Å; T411-I413 PolarHBondContact OG1-N 3.25Å; I413-C415 VanDerWaalsContact C-N 3.3Å; I413-C415 PolarHBondContact O-N 3Å; I413-D416 PolarHBondContact O-N 3.31Å; I413-N417 WeakPolarHBondContact O-CB 3.38Å; I413-N417 PolarHBondContact O-N 3.2Å; I413-N417 PolarHBondContact O-ND2 3.01Å
414D95.1Very high95.6Very high36 Ų3631.1 Ų31.119%0.19315%0.151CC..Hα-helixtrans-63.2-38.1176.3-59.2-40.1000111.9C409 T411 N417 L418C409-D414 HydrophobicContact CB-CB 3.82Å; T411-D414 WeakPolarHBondContact CB-OD2 3.31Å; T411-D414 WeakPolarHBondContact CG2-OD2 3.45Å; T411-D414 PolarHBondContact N-OD2 3.43Å; T411-D414 PolarHBondContact O-N 3.03Å; T411-D414 PolarHBondContact OG1-N 3.41Å; T411-D414 VanDerWaalsContact OG1-N 3.17Å; T411-D414 PolarHBondContact OG1-OD2 2.91Å; D414-N417 PolarHBondContact O-N 3.18Å; D414-L418 WeakPolarHBondContact O-CB 3.46Å; D414-L418 PolarHBondContact O-N 2.93Å
415C96.6Very high95.6Very high0 Ų031.7 Ų31.70%015%0.153CC..Hα-helixtrans-58.9-51.2173.6-63.30000110.9T411 K412 I413 N417 L418 E419 C440 I466 C467T411-C415 PolarHBondContact O-N 3.07Å; T411-C415 PolarHBondContact O-SG 2.89Å; K412-C415 WeakPolarHBondContact O-CB 3.18Å; K412-C415 PolarHBondContact O-N 3.21Å; I413-C415 VanDerWaalsContact C-N 3.3Å; I413-C415 PolarHBondContact O-N 3Å; C415-N417 PolarHBondContact O-N 3.05Å; C415-L418 PolarHBondContact O-N 3.43Å; C415-E419 PolarHBondContact O-N 3.21Å; C415-C440 VanDerWaalsContact C-SG 3.59Å; C415-C440 PolarHBondContact O-SG 2.91Å; C415-I466 HydrophobicContact CB-CG2 3.85Å; C415-C467 VanDerWaalsContact SG-C 3.6Å
416D96.3Very high95.6Very high48 Ų4833.4 Ų33.426%0.25717%0.171SC..Hα-helixtrans-62.6-43.4-179.1-69.1-28.2000111.5K412 I413 L418 E419 Q420 H442 R445K412-D416 PolarHBondContact O-N 3.46Å; K412-D416 VanDerWaalsContact O-N 3.09Å; I413-D416 PolarHBondContact O-N 3.31Å; D416-L418 VanDerWaalsContact C-N 3.33Å; D416-L418 PolarHBondContact O-N 3.38Å; D416-E419 PolarHBondContact O-N 3.24Å; D416-Q420 WeakPolarHBondContact O-CG 3.39Å; D416-Q420 PolarHBondContact O-N 2.59Å; D416-H442 IonicContact OD1-CE1 2.86Å; D416-H442 IonicContact OD1-NE2 3.94Å; D416-H442 PolarHBondContact OD1-NE2 2.98Å; D416-H442 IonicContact OD2-CE1 3.52Å; D416-H442 IonicContact OD2-NE2 3.81Å; D416-R445 IonicContact OD1-CZ 2.85Å; D416-R445 IonicContact OD1-NE 2.85Å; D416-R445 PolarHBondContact OD1-NE 3.5Å; D416-R445 IonicContact OD1-NH2 3.92Å; D416-R445 PolarHBondContact OD1-NH2 2.98Å
417N96.8Very high95.6Very high15 Ų1533.6 Ų33.68%0.0817%0.172CC..Hα-helixtrans-61.2-41177.2-80-19.4000112I360 R361 T362 I413 D414 C415 Q420 Y421I360-N417 HydrophobicContact CD1-CB 4.49Å; I360-N417 HydrophobicContact CG1-CB 4.34Å; R361-N417 VanDerWaalsContact O-CB 3.25Å; R361-N417 WeakPolarHBondContact O-CB 3.44Å; R361-N417 PolarHBondContact O-ND2 3.26Å; T362-N417 VanDerWaalsContact C-ND2 3.31Å; T362-N417 PolarHBondContact O-ND2 3.44Å; I413-N417 WeakPolarHBondContact O-CB 3.38Å; I413-N417 PolarHBondContact O-N 3.2Å; I413-N417 PolarHBondContact O-ND2 3.01Å; D414-N417 PolarHBondContact O-N 3.18Å; C415-N417 PolarHBondContact O-N 3.05Å; N417-Q420 PolarHBondContact O-N 2.79Å; N417-Y421 WeakPolarHBondContact O-CB 3.41Å; N417-Y421 PolarHBondContact O-N 2.95Å
418L97.7Very high95.4Very high2 Ų233.6 Ų33.61%0.0117%0.173CC..Hα-helixtrans-69.5-39.6177.2-172.663.5000112.2I360 I407 D414 C415 D416 Y421 F422 I466 V486I360-L418 HydrophobicContact CD1-CB 4.1Å; I360-L418 HydrophobicContact CD1-CD1 3.79Å; I407-L418 HydrophobicContact CG2-CD2 3.63Å; D414-L418 WeakPolarHBondContact O-CB 3.46Å; D414-L418 PolarHBondContact O-N 2.93Å; C415-L418 PolarHBondContact O-N 3.43Å; D416-L418 VanDerWaalsContact C-N 3.33Å; D416-L418 PolarHBondContact O-N 3.38Å; L418-Y421 PolarHBondContact O-N 3.46Å; L418-F422 HydrophobicContact CD1-CD1 4.24Å; L418-F422 HydrophobicContact CD1-CE1 3.67Å; L418-F422 HydrophobicContact CD1-CZ 3.96Å; L418-F422 HydrophobicContact CD2-CZ 4.38Å; L418-F422 HydrophobicContact CG-CE1 4.18Å; L418-F422 HydrophobicContact CG-CE2 4.48Å; L418-F422 HydrophobicContact CG-CZ 4.1Å; L418-F422 PolarHBondContact O-N 3.09Å; L418-I466 HydrophobicContact CB-CD1 4.28Å; L418-I466 HydrophobicContact CD2-CD1 4.17Å; L418-I466 HydrophobicContact CD2-CG1 4.36Å; L418-I466 HydrophobicContact CD2-CG2 4.16Å; L418-I466 HydrophobicContact CG-CD1 4.04Å; L418-V486 HydrophobicContact CD2-CG2 4.16Å
419E97.4Very high95.1Very high9 Ų934.9 Ų34.94%0.04218%0.181CC..Hα-helixtrans-60.6-46.5172.8-177.5-176.2-111.300111.2C415 D416 Y421 F422 I423 C440 R445 I466C415-E419 PolarHBondContact O-N 3.21Å; D416-E419 PolarHBondContact O-N 3.24Å; E419-Y421 VanDerWaalsContact C-N 3.29Å; E419-Y421 PolarHBondContact O-N 3.22Å; E419-F422 PolarHBondContact O-N 3.15Å; E419-I423 HydrophobicContact CG-CD1 4.11Å; E419-I423 VanDerWaalsContact O-CG1 3.32Å; E419-I423 WeakPolarHBondContact O-CG1 3.49Å; E419-I423 PolarHBondContact O-N 3.28Å; E419-C440 VanDerWaalsContact CB-SG 3.51Å; E419-C440 PolarHBondContact OE1-N 3.25Å; E419-C440 VanDerWaalsContact OE1-N 3.07Å; E419-R445 IonicContact OE1-NH2 2.76Å; E419-R445 IonicContact OE2-CZ 3.47Å; E419-R445 IonicContact OE2-NH1 2.82Å; E419-R445 IonicContact OE2-NH2 3.56Å; E419-R445 PolarHBondContact OE2-NH2 2.97Å; E419-I466 HydrophobicContact CB-CD1 4.09Å
420Q97.2Very high94.9Very high93 Ų9340.8 Ų40.844%0.43521%0.213SC..Hα-helixtrans-61.5-38.6175.3-69-52.4-55.800112D416 N417 I423 Q424D416-Q420 WeakPolarHBondContact O-CG 3.39Å; D416-Q420 PolarHBondContact O-N 2.59Å; N417-Q420 PolarHBondContact O-N 2.79Å; Q420-I423 WeakPolarHBondContact O-CB 3.37Å; Q420-I423 PolarHBondContact O-N 3.43Å; Q420-Q424 WeakPolarHBondContact O-CG 3.43Å; Q420-Q424 PolarHBondContact O-N 2.94Å
421Y97Very high94.9Very high5 Ų544.6 Ų44.62%0.0223%0.23CC..Hα-helixtrans-64.3-43.2176.1-170.6-130.5000111.5I360 E391 V394 N417 L418 E419 I423 Q424 Q425I360-Y421 HydrophobicContact CB-CD1 3.91Å; I360-Y421 HydrophobicContact CB-CD2 4.15Å; I360-Y421 HydrophobicContact CB-CE1 4.41Å; I360-Y421 HydrophobicContact CB-CG 3.78Å; I360-Y421 HydrophobicContact CD1-CD1 4.45Å; I360-Y421 HydrophobicContact CG1-CD1 4.46Å; I360-Y421 HydrophobicContact CG1-CG 4.19Å; E391-Y421 PolarHBondContact OE1-OH 3.25Å; V394-Y421 HydrophobicContact CG2-CD1 4.2Å; V394-Y421 HydrophobicContact CG2-CE1 3.67Å; N417-Y421 WeakPolarHBondContact O-CB 3.41Å; N417-Y421 PolarHBondContact O-N 2.95Å; L418-Y421 PolarHBondContact O-N 3.46Å; E419-Y421 VanDerWaalsContact C-N 3.29Å; E419-Y421 PolarHBondContact O-N 3.22Å; Y421-I423 VanDerWaalsContact C-N 3.31Å; Y421-I423 PolarHBondContact O-N 3.42Å; Y421-Q424 WeakPolarHBondContact O-CB 3.5Å; Y421-Q424 PolarHBondContact O-N 3.47Å; Y421-Q424 VanDerWaalsContact O-N 3.15Å; Y421-Q425 WeakPolarHBondContact O-CG 3.38Å; Y421-Q425 PolarHBondContact O-N 2.95Å; Y421-Q425 VanDerWaalsContact O-N 3.08Å; Y421-Q425 PolarHBondContact OH-NE2 3.07Å
422F97.4Very high94.8Very high0 Ų050.5 Ų50.50%025%0.254CS..Hα-helixtrans-64.8-33.7174.6-75.16.6000112.9V394 I397 I407 L418 E419 Q425 G426 G427 F436 C438 F464 I466V394-F422 HydrophobicContact CG2-CD1 4.42Å; V394-F422 HydrophobicContact CG2-CE1 3.93Å; I397-F422 HydrophobicContact CD1-CE1 4.15Å; I397-F422 HydrophobicContact CD1-CE2 3.83Å; I397-F422 HydrophobicContact CD1-CZ 3.36Å; I407-F422 HydrophobicContact CD1-CE2 3.69Å; I407-F422 HydrophobicContact CD1-CZ 3.9Å; L418-F422 HydrophobicContact CD1-CD1 4.24Å; L418-F422 HydrophobicContact CD1-CE1 3.67Å; L418-F422 HydrophobicContact CD1-CZ 3.96Å; L418-F422 HydrophobicContact CD2-CZ 4.38Å; L418-F422 HydrophobicContact CG-CE1 4.18Å; L418-F422 HydrophobicContact CG-CE2 4.48Å; L418-F422 HydrophobicContact CG-CZ 4.1Å; L418-F422 PolarHBondContact O-N 3.09Å; E419-F422 PolarHBondContact O-N 3.15Å; F422-Q425 PolarHBondContact O-N 3.24Å; F422-G426 PolarHBondContact O-N 3.2Å; F422-G427 VanDerWaalsContact O-CA 3.3Å; F422-G427 WeakPolarHBondContact O-CA 3.17Å; F422-G427 PolarHBondContact O-N 2.86Å; F422-F436 HydrophobicContact CB-CB 4.02Å; F422-F436 HydrophobicContact CD1-CD1 4.13Å; F422-F436 HydrophobicContact CD2-CB 4.41Å; F422-F436 HydrophobicContact CE1-CD1 4.24Å; F422-F436 HydrophobicContact CG-CB 4.14Å; F422-F436 HydrophobicContact CG-CD1 4.29Å; F422-C438 HydrophobicContact CD2-CB 3.86Å; F422-F464 HydrophobicContact CD2-CD2 4.24Å; F422-F464 AromaticContact CE2-CD2 3.87Å; F422-F464 HydrophobicContact CE2-CD2 3.87Å; F422-F464 HydrophobicContact CE2-CE2 4.5Å; F422-F464 HydrophobicContact CE2-CG 4.44Å; F422-I466 HydrophobicContact CD2-CD1 4.19Å; F422-I466 HydrophobicContact CE2-CD1 4.28Å
423I96.5Very high94.5Very high61 Ų6149.4 Ų49.431%0.31326%0.264SS..Hα-helixtrans-62.6-44.1171.3-71.6161.9000110.9E419 Q420 Y421 Q425 G426E419-I423 HydrophobicContact CG-CD1 4.11Å; E419-I423 VanDerWaalsContact O-CG1 3.32Å; E419-I423 WeakPolarHBondContact O-CG1 3.49Å; E419-I423 PolarHBondContact O-N 3.28Å; Q420-I423 WeakPolarHBondContact O-CB 3.37Å; Q420-I423 PolarHBondContact O-N 3.43Å; Y421-I423 VanDerWaalsContact C-N 3.31Å; Y421-I423 PolarHBondContact O-N 3.42Å; I423-Q425 PolarHBondContact O-N 2.94Å; I423-G426 WeakPolarHBondContact O-CA 3.48Å; I423-G426 PolarHBondContact O-N 3.39Å
424Q94.3Very high94.6Very high120 Ų12049.1 Ų49.156%0.56126%0.261SS*.Hα-helixtrans-61.8-32.1176.1-68.9170.116.300112.2Q420 Y421 G426Q420-Q424 WeakPolarHBondContact O-CG 3.43Å; Q420-Q424 PolarHBondContact O-N 2.94Å; Y421-Q424 WeakPolarHBondContact O-CB 3.5Å; Y421-Q424 PolarHBondContact O-N 3.47Å; Y421-Q424 VanDerWaalsContact O-N 3.15Å; Q424-G426 PolarHBondContact O-N 3.49Å
425Q93Very high94.6Very high63 Ų6350.3 Ų50.329%0.29427%0.265SS..THydrogen-bonded Turntrans-76.66.5172.7-59.5-62.3-38.900113.5Y421 F422 I423 H434 F436Y421-Q425 WeakPolarHBondContact O-CG 3.38Å; Y421-Q425 PolarHBondContact O-N 2.95Å; Y421-Q425 VanDerWaalsContact O-N 3.08Å; Y421-Q425 PolarHBondContact OH-NE2 3.07Å; F422-Q425 PolarHBondContact O-N 3.24Å; I423-Q425 PolarHBondContact O-N 2.94Å; Q425-H434 PolarHBondContact O-CE1 2.82Å; Q425-H434 VanDerWaalsContact O-CE1 3.28Å; Q425-F436 HydrophobicContact CB-CD2 3.9Å; Q425-F436 HydrophobicContact CB-CE2 4.36Å; Q425-F436 HydrophobicContact CB-CG 4.31Å
426G93.6Very high94.6Very high35 Ų3550.7 Ų50.736%0.36127%0.267SS..THydrogen-bonded Turntrans93.21.9178.400000115.3F422 I423 Q424 K431F422-G426 PolarHBondContact O-N 3.2Å; I423-G426 WeakPolarHBondContact O-CA 3.48Å; I423-G426 PolarHBondContact O-N 3.39Å; Q424-G426 PolarHBondContact O-N 3.49Å; G426-K431 WeakPolarHBondContact O-CG 3.2Å
427G95.4Very high94.7Very high4 Ų448.4 Ų48.44%0.04126%0.255CS..  trans-93.8-143-18000000114.5F422 K431 H434 F436F422-G427 VanDerWaalsContact O-CA 3.3Å; F422-G427 WeakPolarHBondContact O-CA 3.17Å; F422-G427 PolarHBondContact O-N 2.86Å; G427-K431 WeakPolarHBondContact O-CG 3.35Å; G427-H434 VanDerWaalsContact CA-ND1 3.27Å; G427-H434 WeakPolarHBondContact CA-ND1 2.95Å; G427-H434 PolarHBondContact N-CE1 2.93Å; G427-H434 PolarHBondContact N-ND1 3.28Å; G427-F436 WeakPolarHBondContact CA-O 3.23Å
428G93.8Very high94.7Very high1 Ų147.7 Ų47.71%0.0125%0.251CS..SBendtrans101.9-172-178.100000114.9D430 F436 S437 C438G428-D430 PolarHBondContact O-N 3.15Å; G428-F436 PolarHBondContact N-O 2.91Å; G428-S437 WeakPolarHBondContact O-CA 3.49Å; G428-C438 CarbonylContact C-O 3.47Å; G428-C438 VanDerWaalsContact C-O 3.25Å; G428-C438 PolarHBondContact O-N 3.25Å
429P92.9Very high94.7Very high29 Ų2947.6 Ų47.619%0.18825%0.251CS..THydrogen-bonded Turntrans-61.1-48.1-169.819.3-31000112K431 C438 V439 R456 V462P429-K431 VanDerWaalsContact C-N 3.32Å; P429-K431 PolarHBondContact O-N 3.45Å; P429-C438 WeakPolarHBondContact CA-O 3.36Å; P429-V439 HydrophobicContact CB-CG1 4.05Å; P429-R456 VanDerWaalsContact O-CZ 3.31Å; P429-R456 PolarHBondContact O-NH2 3.39Å; P429-V462 VanDerWaalsContact O-CG1 3.28Å; P429-V462 WeakPolarHBondContact O-CG1 2.73Å
430D92.4Very high94.6Very high125 Ų12547.2 Ų47.267%0.66825%0.249SC*.THydrogen-bonded Turntrans-92.514.4-169-53-45.3000114.1G428 R456G428-D430 PolarHBondContact O-N 3.15Å; D430-R456 IonicContact OD1-CZ 3.78Å; D430-R456 IonicContact OD1-NH1 3.74Å; D430-R456 PolarHBondContact OD1-NH1 2.96Å; D430-R456 VanDerWaalsContact OD1-NH1 3.17Å; D430-R456 IonicContact OD1-NH2 3.51Å; D430-R456 PolarHBondContact OD1-NH2 3.42Å
431K92.9Very high94.3Very high116 Ų11642.8 Ų42.850%0.50423%0.228SC..  trans-10455.6-177.9-61.6-59.3-170.5179.10112.1G426 G427 P429 G433 H434 S437G426-K431 WeakPolarHBondContact O-CG 3.2Å; G427-K431 WeakPolarHBondContact O-CG 3.35Å; P429-K431 VanDerWaalsContact C-N 3.32Å; P429-K431 PolarHBondContact O-N 3.45Å; K431-G433 PolarHBondContact O-N 3.4Å; K431-H434 HydrophobicContact CB-CB 3.81Å; K431-H434 WeakPolarHBondContact O-CB 3.35Å; K431-H434 PolarHBondContact O-N 2.9Å; K431-S437 VanDerWaalsContact O-CB 3.28Å; K431-S437 WeakPolarHBondContact O-CB 3.47Å
432K90.5Very high94Very high150 Ų15042.6 Ų42.665%0.65223%0.228SC*.THydrogen-bonded Turntrans-49.4129-179.3-179167.5179.5166.40111.5H434 D461K432-H434 VanDerWaalsContact C-N 3.3Å; K432-H434 PolarHBondContact O-N 3.32Å; K432-D461 WeakPolarHBondContact CA-O 3.27Å; K432-D461 HydrophobicContact CD-CB 4.4Å; K432-D461 VanDerWaalsContact CE-OD1 3.3Å; K432-D461 WeakPolarHBondContact CE-OD1 3.34Å; K432-D461 IonicContact NZ-OD1 3.67Å; K432-D461 PolarHBondContact NZ-OD1 2.93Å
433G85.6Confident93.3Very high53 Ų5344.9 Ų44.955%0.54625%0.251SS..THydrogen-bonded Turntrans85.8-15.8-178.800000115.4K431 R463K431-G433 PolarHBondContact O-N 3.4Å; G433-R463 PolarHBondContact O-NH2 3.27Å
434H95Very high92.8Very high66 Ų6647.3 Ų47.331%0.30627%0.265SS..  trans-66.1146175-167.1-98.3000111.4Q425 G427 K431 K432 F436 S437Q425-H434 PolarHBondContact O-CE1 2.82Å; Q425-H434 VanDerWaalsContact O-CE1 3.28Å; G427-H434 VanDerWaalsContact CA-ND1 3.27Å; G427-H434 WeakPolarHBondContact CA-ND1 2.95Å; G427-H434 PolarHBondContact N-CE1 2.93Å; G427-H434 PolarHBondContact N-ND1 3.28Å; K431-H434 HydrophobicContact CB-CB 3.81Å; K431-H434 WeakPolarHBondContact O-CB 3.35Å; K431-H434 PolarHBondContact O-N 2.9Å; K432-H434 VanDerWaalsContact C-N 3.3Å; K432-H434 PolarHBondContact O-N 3.32Å; H434-F436 AromaticContact CE1-CD2 3.76Å; H434-F436 PolarHBondContact ND1-N 3.02Å; H434-F436 VanDerWaalsContact ND1-N 3.15Å; H434-F436 PolarHBondContact O-N 3.17Å; H434-S437 WeakPolarHBondContact O-CB 3.22Å; H434-S437 PolarHBondContact O-N 3.44Å; H434-S437 VanDerWaalsContact O-N 3.09Å; H434-S437 PolarHBondContact O-OG 3.22Å
435Q94.6Very high92.5Very high61 Ų6143.6 Ų43.629%0.28525%0.246SC..THydrogen-bonded Turntrans-57.8-36.8-178.3-175.317547.300111.7I397 F464I397-Q435 HydrophobicContact CG2-CG 3.97Å; Q435-F464 WeakPolarHBondContact O-CE2 3.42Å
436F96.8Very high92.2Very high8 Ų848 Ų484%0.03526%0.264CS..THydrogen-bonded Turntrans-101.226.3178.8-57.9-71.5000113.9V394 I397 K398 F422 Q425 G427 G428 H434 C438 F464V394-F436 HydrophobicContact CB-CE1 4.45Å; V394-F436 HydrophobicContact CG1-CE1 4.04Å; V394-F436 HydrophobicContact CG1-CZ 3.86Å; V394-F436 HydrophobicContact CG2-CE1 4.28Å; I397-F436 HydrophobicContact CB-CE1 4.1Å; I397-F436 HydrophobicContact CD1-CD1 4.19Å; I397-F436 HydrophobicContact CD1-CE1 4.11Å; I397-F436 HydrophobicContact CG2-CD1 4.18Å; I397-F436 HydrophobicContact CG2-CE1 3.6Å; I397-F436 HydrophobicContact CG2-CZ 4.25Å; K398-F436 HydrophobicContact CD-CZ 4.43Å; K398-F436 HydrophobicContact CG-CZ 4.06Å; F422-F436 HydrophobicContact CB-CB 4.02Å; F422-F436 HydrophobicContact CD1-CD1 4.13Å; F422-F436 HydrophobicContact CD2-CB 4.41Å; F422-F436 HydrophobicContact CE1-CD1 4.24Å; F422-F436 HydrophobicContact CG-CB 4.14Å; F422-F436 HydrophobicContact CG-CD1 4.29Å; Q425-F436 HydrophobicContact CB-CD2 3.9Å; Q425-F436 HydrophobicContact CB-CE2 4.36Å; Q425-F436 HydrophobicContact CB-CG 4.31Å; G427-F436 WeakPolarHBondContact CA-O 3.23Å; G428-F436 PolarHBondContact N-O 2.91Å; H434-F436 AromaticContact CE1-CD2 3.76Å; H434-F436 PolarHBondContact ND1-N 3.02Å; H434-F436 VanDerWaalsContact ND1-N 3.15Å; H434-F436 PolarHBondContact O-N 3.17Å; F436-C438 PolarHBondContact O-N 2.93Å; F436-F464 HydrophobicContact CD1-CE2 4.45Å
437S97.6Very high91.5Very high1 Ų149.6 Ų49.61%0.00727%0.268CS..  trans-67.4123174.4550000110.3G428 K431 H434 R463 F464G428-S437 WeakPolarHBondContact O-CA 3.49Å; K431-S437 VanDerWaalsContact O-CB 3.28Å; K431-S437 WeakPolarHBondContact O-CB 3.47Å; H434-S437 WeakPolarHBondContact O-CB 3.22Å; H434-S437 PolarHBondContact O-N 3.44Å; H434-S437 VanDerWaalsContact O-N 3.09Å; H434-S437 PolarHBondContact O-OG 3.22Å; S437-R463 PolarHBondContact O-N 3.16Å; S437-R463 WeakPolarHBondContact OG-CG 3.39Å; S437-R463 PolarHBondContact OG-N 3.4Å; S437-R463 VanDerWaalsContact OG-N 3.09Å; S437-F464 PolarHBondContact O-N 3.03Å
438C97.5Very high90.9Very high0 Ų056.3 Ų56.30%030%0.298CS..EExtended strand (participates in β ladder)trans-149.8160.7-169.566.20000112.9F422 G428 P429 F436 F464 I466F422-C438 HydrophobicContact CD2-CB 3.86Å; G428-C438 CarbonylContact C-O 3.47Å; G428-C438 VanDerWaalsContact C-O 3.25Å; G428-C438 PolarHBondContact O-N 3.25Å; P429-C438 WeakPolarHBondContact CA-O 3.36Å; F436-C438 PolarHBondContact O-N 2.93Å; C438-F464 CarbonylContact C-O 3.32Å; C438-F464 WeakPolarHBondContact CA-O 3.42Å; C438-F464 HydrophobicContact CB-CB 3.82Å; C438-I466 HydrophobicContact CB-CD1 4.06Å
439V96.9Very high90.7Very high0 Ų058.7 Ų58.70%031%0.309CS..EExtended strand (participates in β ladder)trans-141.3149.1171.5-69.90000110.3P429 N453 F457 V462 F464 L465 I466P429-V439 HydrophobicContact CB-CG1 4.05Å; V439-N453 HydrophobicContact CB-CB 3.76Å; V439-N453 HydrophobicContact CG1-CB 4.2Å; V439-N453 HydrophobicContact CG2-CB 3.83Å; V439-F457 HydrophobicContact CG2-CB 4.48Å; V439-V462 HydrophobicContact CB-CG2 4.48Å; V439-V462 HydrophobicContact CG1-CG1 4.09Å; V439-V462 HydrophobicContact CG1-CG2 4.02Å; V439-V462 HydrophobicContact CG2-CG2 3.8Å; V439-F464 PolarHBondContact N-O 3.4Å; V439-L465 HydrophobicContact CG2-CD1 3.79Å; V439-I466 PolarHBondContact O-N 3.31Å
440C95.4Very high90.5Very high0 Ų058.1 Ų58.10%030%0.303CS..EExtended strand (participates in β ladder)trans-92.9143173-80.40000114.5C415 E419 N453 I466C415-C440 VanDerWaalsContact C-SG 3.59Å; C415-C440 PolarHBondContact O-SG 2.91Å; E419-C440 VanDerWaalsContact CB-SG 3.51Å; E419-C440 PolarHBondContact OE1-N 3.25Å; E419-C440 VanDerWaalsContact OE1-N 3.07Å; C440-N453 PolarHBondContact O-ND2 2.95Å; C440-I466 CarbonylContact C-O 3.43Å; C440-I466 VanDerWaalsContact CA-O 3.31Å; C440-I466 WeakPolarHBondContact CA-O 3.41Å
441L92.2Very high90.1Very high1 Ų158.5 Ų58.51%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-131.6101.4171.8-171.282.4000110R450 L465 I466 C467 A471 I475L441-R450 HydrophobicContact CD1-CB 3.7Å; L441-R450 HydrophobicContact CD1-CG 4.07Å; L441-L465 HydrophobicContact CB-CD1 3.83Å; L441-I466 PolarHBondContact N-O 3.42Å; L441-C467 HydrophobicContact CB-CB 4.13Å; L441-C467 VanDerWaalsContact O-CA 3.29Å; L441-C467 WeakPolarHBondContact O-CA 3.49Å; L441-C467 VanDerWaalsContact O-CB 3.28Å; L441-C467 WeakPolarHBondContact O-CB 3.45Å; L441-A471 HydrophobicContact CD2-CB 4.4Å; L441-A471 VanDerWaalsContact CD2-O 3.28Å; L441-A471 WeakPolarHBondContact CD2-O 3.38Å; L441-A471 HydrophobicContact CG-CB 4.23Å; L441-A471 WeakPolarHBondContact O-CB 3.21Å; L441-I475 HydrophobicContact CD2-CD1 4.38Å; L441-I475 HydrophobicContact CD2-CG2 3.95Å
442H90.6Very high90.1Very high1 Ų157.5 Ų57.51%0.00530%0.295CS..SBendtrans-152.8170.3173.659.690.9000111.7K412 D416 D444 R445 R450 T468K412-H442 HydrophobicContact CB-CB 4.39Å; K412-H442 HydrophobicContact CG-CB 4.01Å; D416-H442 IonicContact OD1-CE1 2.86Å; D416-H442 IonicContact OD1-NE2 3.94Å; D416-H442 PolarHBondContact OD1-NE2 2.98Å; D416-H442 IonicContact OD2-CE1 3.52Å; D416-H442 IonicContact OD2-NE2 3.81Å; H442-D444 PolarHBondContact ND1-N 2.91Å; H442-D444 PolarHBondContact O-N 3.47Å; H442-D444 VanDerWaalsContact O-N 3.12Å; H442-R445 WeakPolarHBondContact NE2-CG 3.43Å; H442-R445 PolarHBondContact NE2-NE 2.89Å; H442-R445 PolarHBondContact O-N 3.3Å; H442-R445 VanDerWaalsContact O-N 3.16Å; H442-R450 WeakPolarHBondContact O-CD 3.44Å; H442-T468 HydrophobicContact CB-CG2 4.09Å
443G82.5Confident90.2Very high48 Ų4850.7 Ų50.750%0.49527%0.266SS..THydrogen-bonded Turntrans-66.9-11.5-17000000117.1
444D85.6Confident90.4Very high111 Ų11149.2 Ų49.259%0.59425%0.246SC*.THydrogen-bonded Turntrans-93-13.8177-70-5.7000112.7K412 H442K412-D444 HydrophobicContact CD-CB 4.04Å; K412-D444 WeakPolarHBondContact CD-OD2 3.19Å; K412-D444 IonicContact NZ-OD1 2.82Å; K412-D444 PolarHBondContact NZ-OD1 3.32Å; K412-D444 IonicContact NZ-OD2 3.37Å; H442-D444 PolarHBondContact ND1-N 2.91Å; H442-D444 PolarHBondContact O-N 3.47Å; H442-D444 VanDerWaalsContact O-N 3.12Å
445R87.5Confident90.2Very high43 Ų4349.7 Ų49.716%0.16225%0.248CC..SBendtrans-69.3147171.1-61.6-52.8-175.8131.8-2.3110.4D416 E419 H442 E449 R450D416-R445 IonicContact OD1-CZ 2.85Å; D416-R445 IonicContact OD1-NE 2.85Å; D416-R445 PolarHBondContact OD1-NE 3.5Å; D416-R445 IonicContact OD1-NH2 3.92Å; D416-R445 PolarHBondContact OD1-NH2 2.98Å; E419-R445 IonicContact OE1-NH2 2.76Å; E419-R445 IonicContact OE2-CZ 3.47Å; E419-R445 IonicContact OE2-NH1 2.82Å; E419-R445 IonicContact OE2-NH2 3.56Å; E419-R445 PolarHBondContact OE2-NH2 2.97Å; H442-R445 WeakPolarHBondContact NE2-CG 3.43Å; H442-R445 PolarHBondContact NE2-NE 2.89Å; H442-R445 PolarHBondContact O-N 3.3Å; H442-R445 VanDerWaalsContact O-N 3.16Å; R445-E449 WeakPolarHBondContact CD-OE1 3.3Å; R445-E449 IonicContact CZ-OE1 3.34Å; R445-E449 IonicContact NE-OE1 3.08Å; R445-E449 IonicContact NH1-OE1 2.68Å; R445-E449 PolarHBondContact NH1-OE1 3.4Å; R445-R450 HydrophobicContact CB-CG 3.63Å
446K86.1Confident90.2Very high156 Ų15648.9 Ų48.968%0.67824%0.242SC*.  trans-64.4145.9-179.9-67.2177-177.4172.20109.8H448 E449 R450K446-H448 VanDerWaalsContact C-N 3.31Å; K446-H448 PolarHBondContact O-N 2.88Å; K446-E449 HydrophobicContact CB-CB 4.12Å; K446-E449 PolarHBondContact N-OE2 2.81Å; K446-E449 WeakPolarHBondContact O-CA 3.45Å; K446-E449 WeakPolarHBondContact O-CB 3.37Å; K446-E449 PolarHBondContact O-N 3.16Å; K446-R450 PolarHBondContact O-N 3.25Å
447P79.2Confident90Very high68 Ų6848.5 Ų48.544%0.44224%0.241SC..Hα-helixtrans-53.1-44.1-178.6-28.635.1000114.2E449 R450 K451P447-E449 PolarHBondContact O-N 3.42Å; P447-R450 PolarHBondContact O-N 3.24Å; P447-K451 PolarHBondContact O-N 2.97Å; P447-K451 VanDerWaalsContact O-N 3.16Å
448H83.9Confident89.7Confident144 Ų14452.8 Ų52.867%0.66726%0.259SS*.Hα-helixtrans-61.2-43.3175.5175.2-75000112.5K446 K451 Q452K446-H448 VanDerWaalsContact C-N 3.31Å; K446-H448 PolarHBondContact O-N 2.88Å; H448-K451 PolarHBondContact O-N 3.49Å; H448-Q452 WeakPolarHBondContact O-CB 3.37Å; H448-Q452 PolarHBondContact O-N 3.18Å
449E89.3Confident89.4Confident52 Ų5259.5 Ų59.524%0.24329%0.289CS..Hα-helixtrans-63.4-43.2179.2-177.1-173179.400111R445 K446 P447 K451 Q452 N453R445-E449 WeakPolarHBondContact CD-OE1 3.3Å; R445-E449 IonicContact CZ-OE1 3.34Å; R445-E449 IonicContact NE-OE1 3.08Å; R445-E449 IonicContact NH1-OE1 2.68Å; R445-E449 PolarHBondContact NH1-OE1 3.4Å; K446-E449 HydrophobicContact CB-CB 4.12Å; K446-E449 PolarHBondContact N-OE2 2.81Å; K446-E449 WeakPolarHBondContact O-CA 3.45Å; K446-E449 WeakPolarHBondContact O-CB 3.37Å; K446-E449 PolarHBondContact O-N 3.16Å; P447-E449 PolarHBondContact O-N 3.42Å; E449-K451 PolarHBondContact O-N 2.85Å; E449-Q452 PolarHBondContact O-N 3.17Å; E449-N453 VanDerWaalsContact O-CB 3.3Å; E449-N453 WeakPolarHBondContact O-CB 3.36Å; E449-N453 PolarHBondContact O-N 3.5Å; E449-N453 PolarHBondContact O-OD1 3.13Å
450R87.7Confident89Confident16 Ų1661.7 Ų61.76%0.0631%0.311CS..Hα-helixtrans-57.3-48.1175.5-68.6-179.467.7-153.50.7111.9E193 L441 H442 R445 K446 P447 N453 L454E193-R450 VanDerWaalsContact CD-NH1 3.3Å; E193-R450 IonicContact OE1-CZ 3.72Å; E193-R450 IonicContact OE1-NE 2.7Å; E193-R450 IonicContact OE1-NH1 3.6Å; E193-R450 PolarHBondContact OE1-NH1 3.2Å; E193-R450 IonicContact OE1-NH2 3.63Å; E193-R450 PolarHBondContact OE1-NH2 3.45Å; E193-R450 IonicContact OE2-CZ 2.99Å; E193-R450 VanDerWaalsContact OE2-CZ 3.31Å; E193-R450 IonicContact OE2-NH1 3.62Å; E193-R450 PolarHBondContact OE2-NH1 2.73Å; E193-R450 IonicContact OE2-NH2 2.68Å; E193-R450 PolarHBondContact OE2-NH2 3.44Å; L441-R450 HydrophobicContact CD1-CB 3.7Å; L441-R450 HydrophobicContact CD1-CG 4.07Å; H442-R450 WeakPolarHBondContact O-CD 3.44Å; R445-R450 HydrophobicContact CB-CG 3.63Å; K446-R450 PolarHBondContact O-N 3.25Å; P447-R450 PolarHBondContact O-N 3.24Å; R450-N453 PolarHBondContact O-N 3.27Å; R450-L454 WeakPolarHBondContact O-CB 3.28Å; R450-L454 PolarHBondContact O-N 2.7Å
451K85.7Confident88.9Confident133 Ų13363.6 Ų63.658%0.57832%0.321SS*.Hα-helixtrans-61.6-46176.8-176.4174.1-177.91700111.6P447 H448 E449 L454 E455P447-K451 PolarHBondContact O-N 2.97Å; P447-K451 VanDerWaalsContact O-N 3.16Å; H448-K451 PolarHBondContact O-N 3.49Å; E449-K451 PolarHBondContact O-N 2.85Å; K451-L454 PolarHBondContact O-N 3.24Å; K451-E455 WeakPolarHBondContact O-CG 3.35Å; K451-E455 PolarHBondContact O-N 3.42Å
452Q91.3Very high89.1Confident95 Ų9563.6 Ų63.644%0.44432%0.321SS..Hα-helixtrans-62.3-44.5178.2-174.8179.518.300111.8H448 E449 E455 R456H448-Q452 WeakPolarHBondContact O-CB 3.37Å; H448-Q452 PolarHBondContact O-N 3.18Å; E449-Q452 PolarHBondContact O-N 3.17Å; Q452-E455 PolarHBondContact O-N 3.39Å; Q452-R456 VanDerWaalsContact O-CG 3.25Å; Q452-R456 WeakPolarHBondContact O-CG 3.42Å; Q452-R456 PolarHBondContact O-N 2.69Å
453N93.2Very high89.4Confident7 Ų767.1 Ų67.14%0.03734%0.335CS..Hα-helixtrans-62.7-44.9178.5-74.4-3.8000111.3V439 C440 E449 R450 E455 R456 F457V439-N453 HydrophobicContact CB-CB 3.76Å; V439-N453 HydrophobicContact CG1-CB 4.2Å; V439-N453 HydrophobicContact CG2-CB 3.83Å; C440-N453 PolarHBondContact O-ND2 2.95Å; E449-N453 VanDerWaalsContact O-CB 3.3Å; E449-N453 WeakPolarHBondContact O-CB 3.36Å; E449-N453 PolarHBondContact O-N 3.5Å; E449-N453 PolarHBondContact O-OD1 3.13Å; R450-N453 PolarHBondContact O-N 3.27Å; N453-E455 VanDerWaalsContact C-N 3.32Å; N453-E455 PolarHBondContact O-N 3.25Å; N453-R456 PolarHBondContact O-N 3.5Å; N453-F457 PolarHBondContact O-N 3.09Å
454L90.3Very high90.1Very high22 Ų2264.9 Ų64.912%0.11531%0.311CS..Hα-helixtrans-58.4-45.4175.1-174.665.8000111.5R450 K451 F457 K458 L465 I475 I477R450-L454 WeakPolarHBondContact O-CB 3.28Å; R450-L454 PolarHBondContact O-N 2.7Å; K451-L454 PolarHBondContact O-N 3.24Å; L454-F457 PolarHBondContact O-N 3.17Å; L454-K458 HydrophobicContact CG-CD 4.41Å; L454-K458 WeakPolarHBondContact O-CB 3.35Å; L454-K458 WeakPolarHBondContact O-CG 3.32Å; L454-K458 PolarHBondContact O-N 3Å; L454-L465 HydrophobicContact CD1-CD2 4.41Å; L454-I475 HydrophobicContact CD1-CB 4.44Å; L454-I477 HydrophobicContact CD1-CD1 3.25Å; L454-I477 HydrophobicContact CD1-CG1 4.12Å; L454-I477 HydrophobicContact CG-CD1 4.48Å
455E90.8Very high90.6Very high76 Ų7659.6 Ų59.636%0.35528%0.283SS..Hα-helixtrans-64.3-41.7177.6-75.5-62.3127.800112.9K451 Q452 N453 F457 K458 K459K451-E455 WeakPolarHBondContact O-CG 3.35Å; K451-E455 PolarHBondContact O-N 3.42Å; Q452-E455 PolarHBondContact O-N 3.39Å; N453-E455 VanDerWaalsContact C-N 3.32Å; N453-E455 PolarHBondContact O-N 3.25Å; E455-F457 VanDerWaalsContact C-N 3.29Å; E455-F457 PolarHBondContact O-N 3.24Å; E455-K458 PolarHBondContact O-N 3.49Å; E455-K459 WeakPolarHBondContact O-CB 3.39Å; E455-K459 VanDerWaalsContact O-CG 3.28Å; E455-K459 WeakPolarHBondContact O-CG 3.11Å; E455-K459 PolarHBondContact O-N 2.63Å
456R93.4Very high91.1Very high44 Ų4457.5 Ų57.517%0.16628%0.275CS..Hα-helixtrans-59.6-42.6175.7-71.7169.578.4150.323.6111.1P429 D430 Q452 N453 G460 D461 V462P429-R456 VanDerWaalsContact O-CZ 3.31Å; P429-R456 PolarHBondContact O-NH2 3.39Å; D430-R456 IonicContact OD1-CZ 3.78Å; D430-R456 IonicContact OD1-NH1 3.74Å; D430-R456 PolarHBondContact OD1-NH1 2.96Å; D430-R456 VanDerWaalsContact OD1-NH1 3.17Å; D430-R456 IonicContact OD1-NH2 3.51Å; D430-R456 PolarHBondContact OD1-NH2 3.42Å; Q452-R456 VanDerWaalsContact O-CG 3.25Å; Q452-R456 WeakPolarHBondContact O-CG 3.42Å; Q452-R456 PolarHBondContact O-N 2.69Å; N453-R456 PolarHBondContact O-N 3.5Å; R456-G460 PolarHBondContact O-N 2.94Å; R456-D461 HydrophobicContact CB-CB 4.22Å; R456-D461 WeakPolarHBondContact O-CB 3.33Å; R456-D461 PolarHBondContact O-N 3.22Å; R456-V462 HydrophobicContact CB-CG2 4.16Å
457F94.1Very high91.5Very high0 Ų050.1 Ų50.10%024%0.243CC..Hα-helixtrans-67.5-46.1176.5179.5-102.5000111.9Q404 A405 I406 V439 N453 L454 E455 K459 G460 V462 R463 L465 I477 V480Q404-F457 HydrophobicContact CG-CD2 4.41Å; Q404-F457 HydrophobicContact CG-CE2 3.51Å; Q404-F457 HydrophobicContact CG-CZ 3.59Å; Q404-F457 PolarHBondContact NE2-O 2.77Å; Q404-F457 VanDerWaalsContact NE2-O 3.1Å; A405-F457 WeakPolarHBondContact O-CE2 3.45Å; I406-F457 HydrophobicContact CG1-CE1 4.22Å; I406-F457 HydrophobicContact CG1-CZ 3.94Å; V439-F457 HydrophobicContact CG2-CB 4.48Å; N453-F457 PolarHBondContact O-N 3.09Å; L454-F457 PolarHBondContact O-N 3.17Å; E455-F457 VanDerWaalsContact C-N 3.29Å; E455-F457 PolarHBondContact O-N 3.24Å; F457-K459 VanDerWaalsContact C-N 3.27Å; F457-K459 PolarHBondContact O-N 3.29Å; F457-G460 PolarHBondContact O-N 3.38Å; F457-V462 HydrophobicContact CB-CG2 4.07Å; F457-V462 HydrophobicContact CD2-CG2 4.45Å; F457-R463 WeakPolarHBondContact CE2-O 3.38Å; F457-L465 HydrophobicContact CB-CB 4.41Å; F457-L465 HydrophobicContact CD1-CB 4.04Å; F457-L465 HydrophobicContact CD1-CD2 4.02Å; F457-L465 HydrophobicContact CD2-CB 3.65Å; F457-L465 HydrophobicContact CE1-CB 4.17Å; F457-L465 HydrophobicContact CE1-CD2 4.28Å; F457-L465 HydrophobicContact CE2-CB 3.77Å; F457-L465 HydrophobicContact CG-CB 3.76Å; F457-L465 HydrophobicContact CG-CD2 4.4Å; F457-L465 HydrophobicContact CZ-CB 4.03Å; F457-I477 HydrophobicContact CD1-CD1 3.61Å; F457-I477 HydrophobicContact CE1-CD1 3.83Å; F457-I477 HydrophobicContact CE1-CG2 3.88Å; F457-V480 HydrophobicContact CE1-CG2 4.34Å; F457-V480 HydrophobicContact CZ-CG1 4.3Å; F457-V480 HydrophobicContact CZ-CG2 4.28Å
458K90.4Very high92.2Very high91 Ų9147.4 Ų47.440%0.39623%0.225SC..Hα-helixtrans-59-36.3177-76.2-174.4173.6-162.60112.8L454 E455 G460 D476 I477L454-K458 HydrophobicContact CG-CD 4.41Å; L454-K458 WeakPolarHBondContact O-CB 3.35Å; L454-K458 WeakPolarHBondContact O-CG 3.32Å; L454-K458 PolarHBondContact O-N 3Å; E455-K458 PolarHBondContact O-N 3.49Å; K458-G460 VanDerWaalsContact C-N 3.3Å; K458-D476 WeakPolarHBondContact CE-O 3.34Å; K458-D476 PolarHBondContact NZ-O 2.98Å; K458-I477 HydrophobicContact CG-CD1 4.29Å; K458-I477 HydrophobicContact CG-CG1 4.3Å
459K90.6Very high92.3Very high142 Ų14241.8 Ų41.862%0.61720%0.2SC*.THydrogen-bonded Turntrans-79.5-8.6177.3-69.7173.5-174.7176.70114E455 F457 D461E455-K459 WeakPolarHBondContact O-CB 3.39Å; E455-K459 VanDerWaalsContact O-CG 3.28Å; E455-K459 WeakPolarHBondContact O-CG 3.11Å; E455-K459 PolarHBondContact O-N 2.63Å; F457-K459 VanDerWaalsContact C-N 3.27Å; F457-K459 PolarHBondContact O-N 3.29Å; K459-D461 VanDerWaalsContact C-N 3.29Å
460G90.1Very high91.6Very high46 Ų4642.8 Ų42.847%0.47421%0.21SC..THydrogen-bonded Turntrans71.720.3-174.500000114R456 F457 K458 V462R456-G460 PolarHBondContact O-N 2.94Å; F457-G460 PolarHBondContact O-N 3.38Å; K458-G460 VanDerWaalsContact C-N 3.3Å; G460-V462 PolarHBondContact O-N 3.23Å
461D93.4Very high91Very high40 Ų4042.1 Ų42.121%0.21421%0.208CC..SBendtrans-67.9-28.5172.9-70.3-33.6000111.5K432 R456 K459K432-D461 WeakPolarHBondContact CA-O 3.27Å; K432-D461 HydrophobicContact CD-CB 4.4Å; K432-D461 VanDerWaalsContact CE-OD1 3.3Å; K432-D461 WeakPolarHBondContact CE-OD1 3.34Å; K432-D461 IonicContact NZ-OD1 3.67Å; K432-D461 PolarHBondContact NZ-OD1 2.93Å; R456-D461 HydrophobicContact CB-CB 4.22Å; R456-D461 WeakPolarHBondContact O-CB 3.33Å; R456-D461 PolarHBondContact O-N 3.22Å; K459-D461 VanDerWaalsContact C-N 3.29Å
462V96.2Very high90.4Very high1 Ų136 Ų361%0.00618%0.182CC..SBendtrans-128147173.4-62.90000109.6P429 V439 R456 F457 G460P429-V462 VanDerWaalsContact O-CG1 3.28Å; P429-V462 WeakPolarHBondContact O-CG1 2.73Å; V439-V462 HydrophobicContact CB-CG2 4.48Å; V439-V462 HydrophobicContact CG1-CG1 4.09Å; V439-V462 HydrophobicContact CG1-CG2 4.02Å; V439-V462 HydrophobicContact CG2-CG2 3.8Å; R456-V462 HydrophobicContact CB-CG2 4.16Å; F457-V462 HydrophobicContact CB-CG2 4.07Å; F457-V462 HydrophobicContact CD2-CG2 4.45Å; G460-V462 PolarHBondContact O-N 3.23Å
463R95.6Very high89.6Confident75 Ų7532.5 Ų32.528%0.28316%0.164SC..SBendtrans-81.9-30.9-178.6-64.1-171.3-176.7-152.61.3113M402 D403 Q404 A405 G433 S437 F457M402-R463 PolarHBondContact O-NH1 3.11Å; D403-R463 WeakPolarHBondContact O-CB 3.28Å; D403-R463 WeakPolarHBondContact O-CG 3.43Å; Q404-R463 CarbonylContact C-O 3.52Å; Q404-R463 VanDerWaalsContact CA-O 3.23Å; Q404-R463 WeakPolarHBondContact CA-O 3.25Å; A405-R463 PolarHBondContact N-O 3.05Å; G433-R463 PolarHBondContact O-NH2 3.27Å; S437-R463 PolarHBondContact O-N 3.16Å; S437-R463 WeakPolarHBondContact OG-CG 3.39Å; S437-R463 PolarHBondContact OG-N 3.4Å; S437-R463 VanDerWaalsContact OG-N 3.09Å; F457-R463 WeakPolarHBondContact CE2-O 3.38Å
464F97.5Very high88.2Confident0 Ų032.3 Ų32.30%016%0.164CC..EExtended strand (participates in β ladder)trans-122.2133.3-171.5-53.7-52.5000113.7I397 M402 A405 I407 F422 Q435 F436 S437 C438 V439I397-F464 HydrophobicContact CB-CZ 4.21Å; I397-F464 HydrophobicContact CD1-CD2 4.17Å; I397-F464 HydrophobicContact CD1-CE1 4.4Å; I397-F464 HydrophobicContact CD1-CE2 3.62Å; I397-F464 HydrophobicContact CD1-CZ 3.81Å; I397-F464 HydrophobicContact CG1-CE1 4.16Å; I397-F464 HydrophobicContact CG1-CE2 4.03Å; I397-F464 HydrophobicContact CG1-CZ 3.66Å; I397-F464 HydrophobicContact CG2-CE2 3.83Å; I397-F464 HydrophobicContact CG2-CZ 3.53Å; M402-F464 HydrophobicContact CB-CE1 3.88Å; M402-F464 HydrophobicContact CB-CZ 4.12Å; A405-F464 HydrophobicContact CB-CD1 3.59Å; A405-F464 HydrophobicContact CB-CE1 3.73Å; A405-F464 WeakPolarHBondContact O-CA 3.48Å; I407-F464 HydrophobicContact CD1-CB 4.05Å; I407-F464 HydrophobicContact CD1-CD1 4.31Å; I407-F464 HydrophobicContact CD1-CG 4.09Å; F422-F464 HydrophobicContact CD2-CD2 4.24Å; F422-F464 AromaticContact CE2-CD2 3.87Å; F422-F464 HydrophobicContact CE2-CD2 3.87Å; F422-F464 HydrophobicContact CE2-CE2 4.5Å; F422-F464 HydrophobicContact CE2-CG 4.44Å; Q435-F464 WeakPolarHBondContact O-CE2 3.42Å; F436-F464 HydrophobicContact CD1-CE2 4.45Å; S437-F464 PolarHBondContact O-N 3.03Å; C438-F464 CarbonylContact C-O 3.32Å; C438-F464 WeakPolarHBondContact CA-O 3.42Å; C438-F464 HydrophobicContact CB-CB 3.82Å; V439-F464 PolarHBondContact N-O 3.4Å
465L96.6Very high87.4Confident0 Ų031.4 Ų31.40%016%0.16CC..EExtended strand (participates in β ladder)trans-106.8112168-178.465.4000108.4A405 I406 I407 V439 L441 L454 F457 I475 I477A405-L465 PolarHBondContact O-N 3.14Å; A405-L465 VanDerWaalsContact O-N 3.08Å; I406-L465 WeakPolarHBondContact CA-O 3.43Å; I406-L465 HydrophobicContact CG1-CB 4.43Å; I407-L465 PolarHBondContact N-O 3.03Å; V439-L465 HydrophobicContact CG2-CD1 3.79Å; L441-L465 HydrophobicContact CB-CD1 3.83Å; L454-L465 HydrophobicContact CD1-CD2 4.41Å; F457-L465 HydrophobicContact CB-CB 4.41Å; F457-L465 HydrophobicContact CD1-CB 4.04Å; F457-L465 HydrophobicContact CD1-CD2 4.02Å; F457-L465 HydrophobicContact CD2-CB 3.65Å; F457-L465 HydrophobicContact CE1-CB 4.17Å; F457-L465 HydrophobicContact CE1-CD2 4.28Å; F457-L465 HydrophobicContact CE2-CB 3.77Å; F457-L465 HydrophobicContact CG-CB 3.76Å; F457-L465 HydrophobicContact CG-CD2 4.4Å; F457-L465 HydrophobicContact CZ-CB 4.03Å; L465-I475 HydrophobicContact CD2-CD1 4Å; L465-I477 HydrophobicContact CD2-CD1 3.92Å
466I97.7Very high86.7Confident0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-95.7124.1178.2-54.9167.3000108.3I407 C415 L418 E419 F422 C438 V439 C440 L441I407-I466 HydrophobicContact CB-CG1 4.26Å; I407-I466 HydrophobicContact CD1-CG1 4.39Å; I407-I466 CarbonylContact O-C 3.43Å; I407-I466 WeakPolarHBondContact O-CA 3.49Å; C415-I466 HydrophobicContact CB-CG2 3.85Å; L418-I466 HydrophobicContact CB-CD1 4.28Å; L418-I466 HydrophobicContact CD2-CD1 4.17Å; L418-I466 HydrophobicContact CD2-CG1 4.36Å; L418-I466 HydrophobicContact CD2-CG2 4.16Å; L418-I466 HydrophobicContact CG-CD1 4.04Å; E419-I466 HydrophobicContact CB-CD1 4.09Å; F422-I466 HydrophobicContact CD2-CD1 4.19Å; F422-I466 HydrophobicContact CE2-CD1 4.28Å; C438-I466 HydrophobicContact CB-CD1 4.06Å; V439-I466 PolarHBondContact O-N 3.31Å; C440-I466 CarbonylContact C-O 3.43Å; C440-I466 VanDerWaalsContact CA-O 3.31Å; C440-I466 WeakPolarHBondContact CA-O 3.41Å; L441-I466 PolarHBondContact N-O 3.42Å
467C95.4Very high85.9Confident0 Ų030.3 Ų30.30%016%0.159CC..EExtended strand (participates in β ladder)trans-149.8161.7-173.258.70000114.7I406 I407 F408 C409 C415 L441 A472I406-C467 VanDerWaalsContact CG2-SG 3.54Å; I407-C467 PolarHBondContact O-N 2.91Å; F408-C467 WeakPolarHBondContact CA-O 3.38Å; C409-C467 PolarHBondContact N-O 3.46Å; C415-C467 VanDerWaalsContact SG-C 3.6Å; L441-C467 HydrophobicContact CB-CB 4.13Å; L441-C467 VanDerWaalsContact O-CA 3.29Å; L441-C467 WeakPolarHBondContact O-CA 3.49Å; L441-C467 VanDerWaalsContact O-CB 3.28Å; L441-C467 WeakPolarHBondContact O-CB 3.45Å; C467-A472 HydrophobicContact CB-CB 4.49Å
468T92.8Very high84.9Confident11 Ų1134.7 Ų34.77%0.06718%0.179CC..  trans-93.4159.4166.465.20000110.6C409 K412 H442 V470 A471 A472C409-T468 WeakPolarHBondContact O-CA 3.36Å; K412-T468 HydrophobicContact CG-CG2 4.29Å; H442-T468 HydrophobicContact CB-CG2 4.09Å; T468-V470 VanDerWaalsContact C-N 3.32Å; T468-V470 PolarHBondContact O-N 3.23Å; T468-A471 PolarHBondContact O-N 3.04Å; T468-A472 PolarHBondContact O-N 2.84Å; T468-A472 VanDerWaalsContact O-N 3.1Å
469D86.4Confident84.3Confident26 Ų2631.3 Ų31.314%0.13917%0.17CC..Hα-helixtrans-49.3-50.8177.4-65.4-68.9000113A471 A472 R473 R498D469-A471 PolarHBondContact O-N 3.38Å; D469-A471 VanDerWaalsContact O-N 3.14Å; D469-A472 PolarHBondContact O-N 2.93Å; D469-R473 WeakPolarHBondContact O-CG 3.17Å; D469-R473 PolarHBondContact O-N 2.93Å; D469-R498 VanDerWaalsContact CG-NH2 3.33Å; D469-R498 IonicContact OD1-CZ 2.67Å; D469-R498 IonicContact OD1-NE 3.97Å; D469-R498 PolarHBondContact OD1-NE 2.87Å; D469-R498 IonicContact OD1-NH2 2.69Å; D469-R498 PolarHBondContact OD1-NH2 3.21Å; D469-R498 IonicContact OD2-CZ 3.67Å; D469-R498 IonicContact OD2-NE 3.73Å; D469-R498 IonicContact OD2-NH2 3.81Å; D469-R498 PolarHBondContact OD2-NH2 3.13Å
470V75.3Confident84.3Confident74 Ų7424.6 Ų24.645%0.44814%0.142SC..Hα-helixtrans-56.2-35.7-178.5179.30000112.5T468T468-V470 VanDerWaalsContact C-N 3.32Å; T468-V470 PolarHBondContact O-N 3.23Å
471A74.1Confident84.3Confident2 Ų222.9 Ų22.92%0.01712%0.122CC..Hα-helixtrans-86.4-21.3-176.400000112.7L441 T468 D469 I475L441-A471 HydrophobicContact CD2-CB 4.4Å; L441-A471 VanDerWaalsContact CD2-O 3.28Å; L441-A471 WeakPolarHBondContact CD2-O 3.38Å; L441-A471 HydrophobicContact CG-CB 4.23Å; L441-A471 WeakPolarHBondContact O-CB 3.21Å; T468-A471 PolarHBondContact O-N 3.04Å; D469-A471 PolarHBondContact O-N 3.38Å; D469-A471 VanDerWaalsContact O-N 3.14Å; A471-I475 WeakPolarHBondContact O-CG2 3.17Å
472A72.6Confident84.3Confident4 Ų421.6 Ų21.63%0.03311%0.114CC..Hα-helixtrans-90.7-15.2175.900000113.6F408 C467 T468 D469 G474 I475 R501F408-A472 HydrophobicContact CD1-CB 4.48Å; F408-A472 HydrophobicContact CE1-CB 3.4Å; F408-A472 VanDerWaalsContact CE1-CB 3.4Å; F408-A472 HydrophobicContact CZ-CB 3.9Å; C467-A472 HydrophobicContact CB-CB 4.49Å; T468-A472 PolarHBondContact O-N 2.84Å; T468-A472 VanDerWaalsContact O-N 3.1Å; D469-A472 PolarHBondContact O-N 2.93Å; A472-G474 PolarHBondContact O-N 3.01Å; A472-I475 HydrophobicContact CB-CD1 4.16Å; A472-I475 WeakPolarHBondContact O-CG1 3.36Å; A472-I475 PolarHBondContact O-N 2.86Å; A472-R501 PolarHBondContact O-NH2 3.44Å
473R74.5Confident84.3Confident21 Ų2121.5 Ų21.58%0.07911%0.114CC..THydrogen-bonded Turntrans-64.6129.2170.4-77.8-176.7-172.1159.7-7.7110.4S191 S273 D469 I475 E491 N494S191-R473 PolarHBondContact OG-O 3.14Å; S273-R473 PolarHBondContact OG-NH1 2.84Å; S273-R473 PolarHBondContact OG-NH2 3.32Å; D469-R473 WeakPolarHBondContact O-CG 3.17Å; D469-R473 PolarHBondContact O-N 2.93Å; R473-I475 VanDerWaalsContact C-N 3.32Å; R473-I475 PolarHBondContact O-N 3.46Å; R473-E491 IonicContact NH2-OE2 3.61Å; R473-E491 PolarHBondContact NH2-OE2 3.08Å; R473-N494 PolarHBondContact NE-OD1 2.94Å; R473-N494 VanDerWaalsContact NH2-CG 3.28Å; R473-N494 PolarHBondContact NH2-ND2 3.44Å; R473-N494 VanDerWaalsContact NH2-ND2 3.13Å; R473-N494 PolarHBondContact NH2-OD1 3.2Å
474G64.1Low84.4Confident4 Ų418 Ų184%0.04110%0.1CC..THydrogen-bonded Turntrans66.117.2-176.700000117.8Q197 E267 A472Q197-G474 PolarHBondContact OE1-O 2.97Å; E267-G474 PolarHBondContact OE1-N 2.85Å; E267-G474 VanDerWaalsContact OE1-N 3.15Å; A472-G474 PolarHBondContact O-N 3.01Å
475I75Confident84.4Confident3 Ų318 Ų182%0.01510%0.1CC..  trans-80.8125.6163.670.3-173.2000109.3L441 L454 L465 A471 A472 R473 I477 R501L441-I475 HydrophobicContact CD2-CD1 4.38Å; L441-I475 HydrophobicContact CD2-CG2 3.95Å; L454-I475 HydrophobicContact CD1-CB 4.44Å; L465-I475 HydrophobicContact CD2-CD1 4Å; A471-I475 WeakPolarHBondContact O-CG2 3.17Å; A472-I475 HydrophobicContact CB-CD1 4.16Å; A472-I475 WeakPolarHBondContact O-CG1 3.36Å; A472-I475 PolarHBondContact O-N 2.86Å; R473-I475 VanDerWaalsContact C-N 3.32Å; R473-I475 PolarHBondContact O-N 3.46Å; I475-I477 HydrophobicContact CD1-CD1 4.09Å; I475-I477 HydrophobicContact CG1-CB 4.4Å; I475-I477 HydrophobicContact CG1-CD1 4.44Å; I475-I477 HydrophobicContact CG1-CG1 4.39Å; I475-I477 PolarHBondContact O-N 2.91Å; I475-R501 PolarHBondContact O-NH1 2.91Å
476D74.8Confident84.5Confident83 Ų8318.7 Ų18.744%0.44411%0.105SC..  trans-75.378171-179.423000110.6K458 H478K458-D476 WeakPolarHBondContact CE-O 3.34Å; K458-D476 PolarHBondContact NZ-O 2.98Å; D476-H478 IonicContact OD1-CD2 2.77Å
477I77.5Confident84.4Confident14 Ų1419.2 Ų19.27%0.07211%0.108CC..  trans-138.4112170.1-58.4177.9000107.3I406 L454 F457 K458 L465 I475 V480 R501I406-I477 HydrophobicContact CD1-CG2 4.18Å; L454-I477 HydrophobicContact CD1-CD1 3.25Å; L454-I477 HydrophobicContact CD1-CG1 4.12Å; L454-I477 HydrophobicContact CG-CD1 4.48Å; F457-I477 HydrophobicContact CD1-CD1 3.61Å; F457-I477 HydrophobicContact CE1-CD1 3.83Å; F457-I477 HydrophobicContact CE1-CG2 3.88Å; K458-I477 HydrophobicContact CG-CD1 4.29Å; K458-I477 HydrophobicContact CG-CG1 4.3Å; L465-I477 HydrophobicContact CD2-CD1 3.92Å; I475-I477 HydrophobicContact CD1-CD1 4.09Å; I475-I477 HydrophobicContact CG1-CB 4.4Å; I475-I477 HydrophobicContact CG1-CD1 4.44Å; I475-I477 HydrophobicContact CG1-CG1 4.39Å; I475-I477 PolarHBondContact O-N 2.91Å; I477-V480 HydrophobicContact CG2-CG2 3.5Å; I477-V480 VanDerWaalsContact CG2-CG2 3.5Å; I477-R501 WeakPolarHBondContact O-CD 3.44Å; I477-R501 PolarHBondContact O-NH1 2.82Å
478H73.6Confident84.4Confident91 Ų9119.2 Ų19.242%0.42111%0.108SC..  trans-132.4149.2177.2-61.3-79.4000110.7D476 R501 R504D476-H478 IonicContact OD1-CD2 2.77Å; H478-R501 PolarHBondContact CE1-NH1 3.38Å; H478-R501 VanDerWaalsContact CE1-NH1 3.33Å; H478-R504 PolarHBondContact O-NE 3.28Å; H478-R504 PolarHBondContact O-NH2 3.31Å
479G77.5Confident84.5Confident20 Ų2018.7 Ų18.721%0.20611%0.105CC..  trans75.834179.500000114.8R501 G503G479-R501 PolarHBondContact N-O 2.98Å; G479-G503 WeakPolarHBondContact CA-O 3.21Å; G479-G503 PolarHBondContact N-O 2.94Å
480V89.1Confident84.6Confident2 Ų221.1 Ų21.11%0.01212%0.118CC..BIsolated β-bridgetrans-69.1140.5167.1-173.60000108.1Q404 I406 F457 I477 Y482 R501 V502Q404-V480 HydrophobicContact CB-CG1 4.45Å; Q404-V480 HydrophobicContact CG-CG1 4.17Å; Q404-V480 WeakPolarHBondContact O-CG1 3.26Å; I406-V480 HydrophobicContact CD1-CG2 3.91Å; I406-V480 HydrophobicContact CG1-CG1 4.45Å; I406-V480 HydrophobicContact CG1-CG2 4.09Å; F457-V480 HydrophobicContact CE1-CG2 4.34Å; F457-V480 HydrophobicContact CZ-CG1 4.3Å; F457-V480 HydrophobicContact CZ-CG2 4.28Å; I477-V480 HydrophobicContact CG2-CG2 3.5Å; I477-V480 VanDerWaalsContact CG2-CG2 3.5Å; V480-Y482 VanDerWaalsContact C-N 3.28Å; V480-Y482 WeakPolarHBondContact CG1-O 3.42Å; V480-Y482 PolarHBondContact O-N 3.45Å; V480-R501 PolarHBondContact N-O 2.93Å; V480-V502 WeakPolarHBondContact O-CA 3.38Å; V480-V502 WeakPolarHBondContact O-CB 3.42Å
481P89.9Confident85.1Confident10 Ų1020.9 Ų20.97%0.06511%0.112CC..SBendtrans-63.8-33.5-179.7-25.736.4000113.6G509 L510P481-G509 WeakPolarHBondContact O-CA 3.43Å; P481-L510 PolarHBondContact O-N 2.7Å
482Y93.9Very high85.6Confident12 Ų1223.7 Ų23.75%0.04712%0.124CC..EExtended strand (participates in β ladder)trans-134.6147.6-173.9-53.9-82.2000113.4H400 M402 D403 Q404 A405 I406 V480 L510 Y586H400-Y482 HydrophobicContact CB-CE1 4.05Å; H400-Y482 PolarHBondContact O-OH 3.48Å; M402-Y482 HydrophobicContact CB-CD2 3.8Å; M402-Y482 HydrophobicContact CB-CE2 4.14Å; M402-Y482 HydrophobicContact CB-CG 4.26Å; M402-Y482 HydrophobicContact CE-CD1 3.86Å; M402-Y482 HydrophobicContact CE-CG 4.06Å; M402-Y482 HydrophobicContact CG-CD1 3.97Å; M402-Y482 HydrophobicContact CG-CD2 3.68Å; M402-Y482 HydrophobicContact CG-CE1 4.28Å; M402-Y482 HydrophobicContact CG-CE2 4.05Å; M402-Y482 HydrophobicContact CG-CG 3.67Å; M402-Y482 HydrophobicContact SD-CD1 4.29Å; M402-Y482 HydrophobicContact SD-CD2 4.4Å; M402-Y482 HydrophobicContact SD-CG 3.91Å; D403-Y482 WeakPolarHBondContact OD1-CE2 3.36Å; Q404-Y482 WeakPolarHBondContact O-CD2 3.44Å; Q404-Y482 PolarHBondContact O-N 3.37Å; A405-Y482 WeakPolarHBondContact CA-O 3.48Å; A405-Y482 WeakPolarHBondContact CB-O 3.25Å; I406-Y482 PolarHBondContact N-O 2.68Å; I406-Y482 VanDerWaalsContact N-O 3.14Å; V480-Y482 VanDerWaalsContact C-N 3.28Å; V480-Y482 WeakPolarHBondContact CG1-O 3.42Å; V480-Y482 PolarHBondContact O-N 3.45Å; Y482-L510 CarbonylContact C-O 3.53Å; Y482-L510 VanDerWaalsContact CA-O 3.26Å; Y482-L510 WeakPolarHBondContact CA-O 3.24Å; Y482-L510 HydrophobicContact CD1-CB 3.9Å; Y482-L510 HydrophobicContact CD1-CD2 4.23Å; Y482-L510 HydrophobicContact CD1-CG 4.45Å; Y482-L510 HydrophobicContact CE1-CB 4.21Å; Y482-L510 HydrophobicContact CE1-CD2 4.23Å; Y482-Y586 HydrophobicContact CE1-CG 4.28Å; Y482-Y586 WeakPolarHBondContact OH-CB 3.36Å; Y482-Y586 PolarHBondContact OH-O 2.94Å; Y482-Y586 VanDerWaalsContact OH-O 3.04Å
483V96.1Very high86.1Confident0 Ų025.9 Ų25.90%013%0.133CC..EExtended strand (participates in β ladder)trans-129.5139.3165.5154.70000108.8I406 F408 R501 V502 L510 A511 I512I406-V483 HydrophobicContact CB-CG2 4.11Å; I406-V483 CarbonylContact O-C 3.51Å; I406-V483 VanDerWaalsContact O-CA 3.28Å; I406-V483 WeakPolarHBondContact O-CA 3.46Å; F408-V483 HydrophobicContact CD2-CG1 4.03Å; F408-V483 HydrophobicContact CE2-CG1 4.25Å; F408-V483 HydrophobicContact CE2-CG2 4.31Å; V483-R501 HydrophobicContact CG2-CB 4.13Å; V483-V502 HydrophobicContact CB-CG1 3.53Å; V483-V502 HydrophobicContact CG2-CG1 3.34Å; V483-V502 VanDerWaalsContact N-CG1 3.35Å; V483-L510 PolarHBondContact N-O 3.14Å; V483-A511 HydrophobicContact CB-CB 4.22Å; V483-A511 HydrophobicContact CG1-CB 4.31Å; V483-A511 CarbonylContact O-C 3.58Å; V483-A511 WeakPolarHBondContact O-CA 3.29Å; V483-I512 PolarHBondContact O-N 2.99Å
484I98Very high86.6Confident0 Ų025.3 Ų25.30%013%0.132CC..EExtended strand (participates in β ladder)trans-119.9118.1169.9-57.4175.6000108.3A396 I397 M402 I406 I407 F408 V486 I512A396-I484 HydrophobicContact CB-CD1 4.14Å; I397-I484 HydrophobicContact CD1-CD1 4.45Å; I397-I484 HydrophobicContact CG1-CD1 3.93Å; M402-I484 HydrophobicContact CE-CD1 4Å; M402-I484 HydrophobicContact CE-CG1 4.05Å; M402-I484 HydrophobicContact SD-CD1 3.78Å; M402-I484 HydrophobicContact SD-CG1 4.19Å; I406-I484 PolarHBondContact O-N 2.93Å; I407-I484 CarbonylContact C-O 3.51Å; I407-I484 WeakPolarHBondContact CA-O 3.19Å; I407-I484 HydrophobicContact CD1-CD1 4.41Å; I407-I484 HydrophobicContact CG1-CB 4.28Å; I407-I484 HydrophobicContact CG1-CD1 4.39Å; I407-I484 HydrophobicContact CG2-CB 4.21Å; I407-I484 HydrophobicContact CG2-CG2 4.44Å; F408-I484 PolarHBondContact N-O 3.2Å; I484-V486 HydrophobicContact CG2-CG2 4.08Å; I484-I512 CarbonylContact C-O 3.58Å; I484-I512 WeakPolarHBondContact CA-O 3.26Å
485N98.1Very high87.9Confident0 Ų025.1 Ų25.10%013%0.13CC..EExtended strand (participates in β ladder)trans-90100.3166.6-60-51.1000108.1T487 R498 I512 S513 L514N485-T487 VanDerWaalsContact C-N 3.29Å; N485-R498 WeakPolarHBondContact OD1-CD 3.35Å; N485-R498 PolarHBondContact OD1-NH1 2.99Å; N485-I512 PolarHBondContact N-O 3.17Å; N485-S513 PolarHBondContact ND2-OG 3.27Å; N485-L514 PolarHBondContact O-N 3.39Å
486V98.1Very high88.4Confident15 Ų1525.6 Ų25.69%0.09113%0.133CC..SBendtrans-69.6-34.2177.1179.10000110.7K389 A393 I407 F408 L418 I484K389-V486 HydrophobicContact CB-CG1 4.11Å; K389-V486 VanDerWaalsContact CD-O 3.23Å; K389-V486 WeakPolarHBondContact CD-O 3.4Å; K389-V486 WeakPolarHBondContact CE-O 3.38Å; K389-V486 PolarHBondContact NZ-O 3.07Å; A393-V486 HydrophobicContact CB-CG2 4.45Å; I407-V486 HydrophobicContact CG2-CG2 3.46Å; I407-V486 VanDerWaalsContact CG2-CG2 3.46Å; F408-V486 WeakPolarHBondContact O-CB 3.05Å; F408-V486 PolarHBondContact O-N 3.3Å; L418-V486 HydrophobicContact CD2-CG2 4.16Å; I484-V486 HydrophobicContact CG2-CG2 4.08Å
487T95.4Very high88.8Confident11 Ų1124.2 Ų24.27%0.06712%0.123CC..SBendtrans-130.6138.9172.8-430000107.2R410 N485 R498 Y549 E551R410-T487 HydrophobicContact CB-CG2 3.79Å; N485-T487 VanDerWaalsContact C-N 3.29Å; T487-R498 PolarHBondContact O-NH1 2.82Å; T487-Y549 HydrophobicContact CG2-CD1 4.4Å; T487-Y549 HydrophobicContact CG2-CE1 3.83Å; T487-E551 VanDerWaalsContact CA-OE1 3.3Å; T487-E551 WeakPolarHBondContact CA-OE1 3.22Å; T487-E551 WeakPolarHBondContact CG2-OE1 3.43Å
488L96.4Very high89.4Confident0 Ų023.6 Ų23.60%012%0.12CC..  trans-61.2152.5171.3-72.4-176.4000110.6Y495 V515 Y549 E551 L554 L555 I558L488-Y495 HydrophobicContact CD2-CD2 4.19Å; L488-Y495 HydrophobicContact CD2-CE2 4.16Å; L488-V515 HydrophobicContact CD1-CG1 4.31Å; L488-V515 HydrophobicContact CD1-CG2 3.82Å; L488-V515 HydrophobicContact CD2-CG2 4.22Å; L488-V515 HydrophobicContact CG-CG2 4.03Å; L488-Y549 PolarHBondContact O-OH 3.34Å; L488-E551 HydrophobicContact CB-CG 4.4Å; L488-E551 HydrophobicContact CD1-CB 4.18Å; L488-E551 WeakPolarHBondContact CD1-O 3.35Å; L488-E551 PolarHBondContact N-OE1 2.9Å; L488-L554 HydrophobicContact CD1-CB 4.26Å; L488-L555 HydrophobicContact CD1-CB 4.01Å; L488-I558 HydrophobicContact CD1-CD1 4.31Å; L488-I558 HydrophobicContact CD2-CD1 4.28Å
489P93.4Very high90.2Very high1 Ų119.3 Ų19.31%0.00610%0.1CC..  trans-71.6152.8174.926.6-29.4000111.9E491 N494 Y549P489-E491 PolarHBondContact O-N 3.08Å; P489-N494 HydrophobicContact CB-CB 3.65Å; P489-N494 HydrophobicContact CG-CB 4.19Å; P489-Y549 PolarHBondContact O-OH 3.07Å
490D89.5Confident90.6Very high76 Ų7619.8 Ų19.841%0.40611%0.106SC..SBendtrans-65-22.7175.4-70.1-11.6000113R410 Y549R410-D490 IonicContact CZ-OD1 2.81Å; R410-D490 IonicContact CZ-OD2 3.69Å; R410-D490 IonicContact NE-OD1 3.56Å; R410-D490 PolarHBondContact NE-OD1 3Å; R410-D490 IonicContact NE-OD2 3.28Å; R410-D490 PolarHBondContact NE-OD2 3.1Å; R410-D490 IonicContact NH2-OD1 3.74Å; R410-D490 PolarHBondContact NH2-OD1 3.29Å; R410-D490 IonicContact NH2-OD2 3.33Å; R410-D490 PolarHBondContact NH2-OD2 2.95Å; D490-Y549 PolarHBondContact N-OH 3.24Å; D490-Y549 WeakPolarHBondContact OD1-CE2 3.38Å; D490-Y549 PolarHBondContact OD1-OH 3.18Å
491E84.9Confident90.4Very high70 Ų7020.9 Ų20.933%0.32711%0.109SC..SBendtrans-127133.6-179.4-57.5168.7163.600109.3S273 R473 P489 Q493 N494S273-E491 WeakPolarHBondContact CB-OE1 3.41Å; R473-E491 IonicContact NH2-OE2 3.61Å; R473-E491 PolarHBondContact NH2-OE2 3.08Å; P489-E491 PolarHBondContact O-N 3.08Å; E491-Q493 VanDerWaalsContact C-N 3.26Å; E491-Q493 PolarHBondContact O-N 3.49Å; E491-N494 WeakPolarHBondContact O-CB 3.49Å; E491-N494 PolarHBondContact O-N 3.35Å; E491-N494 PolarHBondContact OE2-ND2 2.65Å
492K86.2Confident90.1Very high61 Ų6120.5 Ų20.527%0.26511%0.107SC..Hα-helixtrans-59.7-31.7-178.664.8-162.5-162.2169.90114.2N494 Y495 I558 H561K492-N494 VanDerWaalsContact C-N 3.27Å; K492-N494 PolarHBondContact O-N 3.07Å; K492-Y495 VanDerWaalsContact O-CB 3.23Å; K492-Y495 WeakPolarHBondContact O-CB 3.47Å; K492-Y495 PolarHBondContact O-N 2.82Å; K492-Y495 VanDerWaalsContact O-N 3.07Å; K492-I558 HydrophobicContact CB-CG1 3.87Å; K492-H561 HydrophobicContact CB-CB 4.46Å; K492-H561 HydrophobicContact CD-CB 3.77Å; K492-H561 HydrophobicContact CG-CB 4.21Å
493Q81.3Confident88.6Confident49 Ų4920.5 Ų20.523%0.22911%0.111CC..Hα-helixtrans-62.6-36.1176.6-64.380.25.100111.7T305 E491 Y495 V496 H497T305-Q493 HydrophobicContact CG2-CB 3.8Å; T305-Q493 HydrophobicContact CG2-CG 3.41Å; T305-Q493 VanDerWaalsContact CG2-CG 3.41Å; E491-Q493 VanDerWaalsContact C-N 3.26Å; E491-Q493 PolarHBondContact O-N 3.49Å; Q493-Y495 PolarHBondContact O-N 3.09Å; Q493-V496 PolarHBondContact O-N 2.64Å; Q493-H497 PolarHBondContact O-N 3.47Å
494N86.1Confident87.1Confident9 Ų927.9 Ų27.95%0.04814%0.138CC..Hα-helixtrans-66.7-27.1177.4-67.1-37.3000111.9R473 P489 E491 K492 V496 H497 R498R473-N494 PolarHBondContact NE-OD1 2.94Å; R473-N494 VanDerWaalsContact NH2-CG 3.28Å; R473-N494 PolarHBondContact NH2-ND2 3.44Å; R473-N494 VanDerWaalsContact NH2-ND2 3.13Å; R473-N494 PolarHBondContact NH2-OD1 3.2Å; P489-N494 HydrophobicContact CB-CB 3.65Å; P489-N494 HydrophobicContact CG-CB 4.19Å; E491-N494 WeakPolarHBondContact O-CB 3.49Å; E491-N494 PolarHBondContact O-N 3.35Å; E491-N494 PolarHBondContact OE2-ND2 2.65Å; K492-N494 VanDerWaalsContact C-N 3.27Å; K492-N494 PolarHBondContact O-N 3.07Å; N494-V496 VanDerWaalsContact C-N 3.34Å; N494-V496 PolarHBondContact O-N 3.25Å; N494-H497 PolarHBondContact O-N 2.76Å; N494-R498 VanDerWaalsContact O-CG 3.24Å; N494-R498 WeakPolarHBondContact O-CG 3.24Å; N494-R498 PolarHBondContact O-N 3.37Å
495Y90.8Very high85.1Confident1 Ų132 Ų320%0.00417%0.173CC..Hα-helixtrans-60.1-47.5175.7-178.5-95.7000110.9H339 L488 K492 Q493 H497 R498 I499 S513 I558 L562 I566H339-Y495 AromaticContact ND1-CE1 3.63Å; H339-Y495 AromaticContact ND1-CZ 3.77Å; H339-Y495 PolarHBondContact ND1-OH 3.35Å; L488-Y495 HydrophobicContact CD2-CD2 4.19Å; L488-Y495 HydrophobicContact CD2-CE2 4.16Å; K492-Y495 VanDerWaalsContact O-CB 3.23Å; K492-Y495 WeakPolarHBondContact O-CB 3.47Å; K492-Y495 PolarHBondContact O-N 2.82Å; K492-Y495 VanDerWaalsContact O-N 3.07Å; Q493-Y495 PolarHBondContact O-N 3.09Å; Y495-H497 VanDerWaalsContact C-N 3.31Å; Y495-H497 PolarHBondContact O-N 2.86Å; Y495-R498 PolarHBondContact O-N 3.07Å; Y495-R498 VanDerWaalsContact O-N 3.16Å; Y495-I499 HydrophobicContact CD1-CD1 4.16Å; Y495-I499 HydrophobicContact CD1-CG2 4.46Å; Y495-I499 HydrophobicContact CE1-CD1 3.71Å; Y495-I499 HydrophobicContact CE1-CG2 4.04Å; Y495-I499 HydrophobicContact CE2-CG2 4.21Å; Y495-I499 PolarHBondContact O-N 2.95Å; Y495-S513 WeakPolarHBondContact CE2-OG 3.36Å; Y495-I558 HydrophobicContact CD1-CG2 3.46Å; Y495-I558 VanDerWaalsContact CD1-CG2 3.46Å; Y495-I558 HydrophobicContact CD2-CD1 3.82Å; Y495-I558 HydrophobicContact CD2-CG2 4.36Å; Y495-I558 HydrophobicContact CE1-CG2 3.77Å; Y495-I558 HydrophobicContact CG-CD1 3.88Å; Y495-I558 HydrophobicContact CG-CG1 4.25Å; Y495-I558 HydrophobicContact CG-CG2 3.79Å; Y495-L562 HydrophobicContact CD1-CD1 4.18Å; Y495-L562 HydrophobicContact CE1-CD1 3.96Å; Y495-I566 HydrophobicContact CE1-CD1 4.09Å
496V85.6Confident83.3Confident12 Ų1235.6 Ų35.67%0.07319%0.19CC..Hα-helixtrans-59.5-42.8176.3-173.30000110.8Q493 N494 R498 G500 L562Q493-V496 PolarHBondContact O-N 2.64Å; N494-V496 VanDerWaalsContact C-N 3.34Å; N494-V496 PolarHBondContact O-N 3.25Å; V496-R498 PolarHBondContact O-N 3.36Å; V496-G500 PolarHBondContact O-N 3.23Å; V496-L562 HydrophobicContact CG2-CD2 3.9Å
497H83.7Confident81.9Confident54 Ų5439 Ų3925%0.2520%0.201CC..Hα-helixtrans-64.1-37.5176.4-64.1159.9000113.8D269 A304 Q493 N494 Y495D269-H497 IonicContact OD2-CE1 2.73Å; D269-H497 PolarHBondContact OD2-CE1 2.75Å; A304-H497 WeakPolarHBondContact CB-NE2 3.07Å; Q493-H497 PolarHBondContact O-N 3.47Å; N494-H497 PolarHBondContact O-N 2.76Å; Y495-H497 VanDerWaalsContact C-N 3.31Å; Y495-H497 PolarHBondContact O-N 2.86Å
498R90.4Very high81.1Confident2 Ų240.9 Ų40.91%0.00821%0.209CC..Hα-helixtrans-67.8-51.5178-71.1-176.6-173.7-171.72.6111F408 D469 N485 T487 N494 Y495 V496 G500 R501F408-R498 HydrophobicContact CD1-CG 3.76Å; F408-R498 HydrophobicContact CD2-CB 3.88Å; F408-R498 HydrophobicContact CD2-CG 3.77Å; F408-R498 HydrophobicContact CE1-CG 3.74Å; F408-R498 HydrophobicContact CE2-CB 3.72Å; F408-R498 HydrophobicContact CE2-CG 3.77Å; F408-R498 HydrophobicContact CG-CB 4.39Å; F408-R498 HydrophobicContact CG-CG 3.77Å; F408-R498 HydrophobicContact CZ-CB 4.08Å; F408-R498 HydrophobicContact CZ-CG 3.76Å; D469-R498 VanDerWaalsContact CG-NH2 3.33Å; D469-R498 IonicContact OD1-CZ 2.67Å; D469-R498 IonicContact OD1-NE 3.97Å; D469-R498 PolarHBondContact OD1-NE 2.87Å; D469-R498 IonicContact OD1-NH2 2.69Å; D469-R498 PolarHBondContact OD1-NH2 3.21Å; D469-R498 IonicContact OD2-CZ 3.67Å; D469-R498 IonicContact OD2-NE 3.73Å; D469-R498 IonicContact OD2-NH2 3.81Å; D469-R498 PolarHBondContact OD2-NH2 3.13Å; N485-R498 WeakPolarHBondContact OD1-CD 3.35Å; N485-R498 PolarHBondContact OD1-NH1 2.99Å; T487-R498 PolarHBondContact O-NH1 2.82Å; N494-R498 VanDerWaalsContact O-CG 3.24Å; N494-R498 WeakPolarHBondContact O-CG 3.24Å; N494-R498 PolarHBondContact O-N 3.37Å; Y495-R498 PolarHBondContact O-N 3.07Å; Y495-R498 VanDerWaalsContact O-N 3.16Å; V496-R498 PolarHBondContact O-N 3.36Å; R498-G500 VanDerWaalsContact C-N 3.29Å; R498-G500 PolarHBondContact O-N 3.19Å; R498-R501 VanDerWaalsContact O-CB 3.32Å; R498-R501 WeakPolarHBondContact O-CB 3.23Å; R498-R501 WeakPolarHBondContact O-CG 3.13Å; R498-R501 PolarHBondContact O-N 3.11Å
499I89.6Confident80.8Confident0 Ų040.9 Ų40.90%021%0.209CC..Hα-helixtrans-71.2-27.3-178.871.9174.7000111.7V333 V337 Y495 R501 V502 A511V333-I499 HydrophobicContact CB-CD1 4.43Å; V333-I499 HydrophobicContact CG1-CD1 3.84Å; V333-I499 HydrophobicContact CG2-CD1 3.82Å; V337-I499 HydrophobicContact CG1-CB 4.11Å; V337-I499 HydrophobicContact CG1-CD1 4.3Å; V337-I499 HydrophobicContact CG1-CG1 4.35Å; Y495-I499 HydrophobicContact CD1-CD1 4.16Å; Y495-I499 HydrophobicContact CD1-CG2 4.46Å; Y495-I499 HydrophobicContact CE1-CD1 3.71Å; Y495-I499 HydrophobicContact CE1-CG2 4.04Å; Y495-I499 HydrophobicContact CE2-CG2 4.21Å; Y495-I499 PolarHBondContact O-N 2.95Å; I499-R501 PolarHBondContact O-N 2.79Å; I499-V502 WeakPolarHBondContact O-CG2 3.49Å; I499-V502 PolarHBondContact O-N 3.14Å; I499-A511 HydrophobicContact CB-CB 3.96Å; I499-A511 HydrophobicContact CG2-CB 3.63Å
500G85.3Confident80.7Confident31 Ų3140.8 Ų40.832%0.3221%0.209SC..THydrogen-bonded Turntrans-64.3-5.3171.900000114.6V496 R498 V502V496-G500 PolarHBondContact O-N 3.23Å; R498-G500 VanDerWaalsContact C-N 3.29Å; R498-G500 PolarHBondContact O-N 3.19Å; G500-V502 VanDerWaalsContact C-N 3.33Å
501R86.4Confident80.9Confident24 Ų2437.2 Ų37.29%0.09119%0.19CC..THydrogen-bonded Turntrans-77.9-19.7169.2-56.7-58.9174.8174.6-2.6113I406 F408 A472 I475 I477 H478 G479 V480 V483 R498 I499I406-R501 HydrophobicContact CD1-CB 3.93Å; I406-R501 HydrophobicContact CD1-CG 4.2Å; F408-R501 HydrophobicContact CE2-CG 4.5Å; F408-R501 HydrophobicContact CZ-CG 4.29Å; A472-R501 PolarHBondContact O-NH2 3.44Å; I475-R501 PolarHBondContact O-NH1 2.91Å; I477-R501 WeakPolarHBondContact O-CD 3.44Å; I477-R501 PolarHBondContact O-NH1 2.82Å; H478-R501 PolarHBondContact CE1-NH1 3.38Å; H478-R501 VanDerWaalsContact CE1-NH1 3.33Å; G479-R501 PolarHBondContact N-O 2.98Å; V480-R501 PolarHBondContact N-O 2.93Å; V483-R501 HydrophobicContact CG2-CB 4.13Å; R498-R501 VanDerWaalsContact O-CB 3.32Å; R498-R501 WeakPolarHBondContact O-CB 3.23Å; R498-R501 WeakPolarHBondContact O-CG 3.13Å; R498-R501 PolarHBondContact O-N 3.11Å; I499-R501 PolarHBondContact O-N 2.79Å
502V83.6Confident81.5Confident3 Ų333.9 Ų33.92%0.01817%0.174CC..BIsolated β-bridgetrans-92.8157.5172.6-55.40000112.1V337 V480 V483 I499 G500 A511V337-V502 HydrophobicContact CB-CG2 4.22Å; V337-V502 HydrophobicContact CG1-CG2 3.56Å; V337-V502 HydrophobicContact CG2-CG2 3.95Å; V337-V502 WeakPolarHBondContact CG2-O 3.36Å; V480-V502 WeakPolarHBondContact O-CA 3.38Å; V480-V502 WeakPolarHBondContact O-CB 3.42Å; V483-V502 HydrophobicContact CB-CG1 3.53Å; V483-V502 HydrophobicContact CG2-CG1 3.34Å; V483-V502 VanDerWaalsContact N-CG1 3.35Å; I499-V502 WeakPolarHBondContact O-CG2 3.49Å; I499-V502 PolarHBondContact O-N 3.14Å; G500-V502 VanDerWaalsContact C-N 3.33Å; V502-A511 HydrophobicContact CG2-CB 4.24Å
503G61.9Low82.1Confident12 Ų1231 Ų3112%0.12416%0.161CC..  trans84.2144.5176.300000114.3G479G479-G503 WeakPolarHBondContact CA-O 3.21Å; G479-G503 PolarHBondContact N-O 2.94Å
504R64Low82.9Confident154 Ų15428.6 Ų28.658%0.58115%0.15SC*.BIsolated β-bridgetrans-141.4162.5168.1-94.3173-167.9-114.73.8107H478 E506 R507H478-R504 PolarHBondContact O-NE 3.28Å; H478-R504 PolarHBondContact O-NH2 3.31Å; R504-E506 PolarHBondContact O-N 3.32Å; R504-R507 PolarHBondContact N-O 2.91Å; R504-R507 PolarHBondContact O-N 2.62Å; R504-R507 VanDerWaalsContact O-O 3.13Å
505A56.7Low83.4Confident87 Ų8728.2 Ų28.272%0.71915%0.148SC*.THydrogen-bonded Turntrans-47.3-23179.700000115.3
506E60.3Low83.8Confident76 Ų7628.2 Ų28.236%0.35515%0.148SC..THydrogen-bonded Turntrans-109.5-3-179.3-58.7-177.9175.500115.2R504 K589R504-E506 PolarHBondContact O-N 3.32Å; E506-K589 IonicContact OE2-NZ 2.69Å
507R69.3Low84.3Confident87 Ų8729.4 Ų29.433%0.32816%0.156SC..BIsolated β-bridgetrans-145.6130.1-172.6-64.7178.7107.8170.710.5113.3R504 G587R504-R507 PolarHBondContact N-O 2.91Å; R504-R507 PolarHBondContact O-N 2.62Å; R504-R507 VanDerWaalsContact O-O 3.13Å; R507-G587 PolarHBondContact NH2-O 3.4Å
508M78.6Confident84.9Confident49 Ų4929.6 Ų29.624%0.24116%0.157CC..  trans-66.3128.7167.9-67-60.8-68.600110.7D335 T336 H338 V584 Y586D335-M508 WeakPolarHBondContact O-CE 3.21Å; T336-M508 CarbonylContact O-C 3.57Å; T336-M508 WeakPolarHBondContact O-CA 3.26Å; H338-M508 HydrophobicContact CB-CE 4.16Å; M508-V584 HydrophobicContact CB-CG1 3.73Å; M508-V584 HydrophobicContact CG-CG1 3.8Å; M508-Y586 HydrophobicContact CB-CD1 4.24Å; M508-Y586 HydrophobicContact CB-CE1 4.38Å
509G88.3Confident85.2Confident0 Ų034.9 Ų34.90%018%0.18CC..EExtended strand (participates in β ladder)trans-101.2152.1169.200000111.5T336 H338 P481T336-G509 PolarHBondContact O-N 3.27Å; H338-G509 PolarHBondContact N-O 3.16Å; P481-G509 WeakPolarHBondContact O-CA 3.43Å
510L91.5Very high85.5Confident0 Ų035.3 Ų35.30%018%0.182CC..EExtended strand (participates in β ladder)trans-117.5121176.3175.864.8000110.9H338 V340 P481 Y482 V483 I512 V575 Y586H338-L510 HydrophobicContact CB-CD1 4.42Å; H338-L510 CarbonylContact O-C 3.56Å; H338-L510 VanDerWaalsContact O-CA 3.29Å; H338-L510 WeakPolarHBondContact O-CA 3Å; V340-L510 HydrophobicContact CG2-CD1 4.29Å; P481-L510 PolarHBondContact O-N 2.7Å; Y482-L510 CarbonylContact C-O 3.53Å; Y482-L510 VanDerWaalsContact CA-O 3.26Å; Y482-L510 WeakPolarHBondContact CA-O 3.24Å; Y482-L510 HydrophobicContact CD1-CB 3.9Å; Y482-L510 HydrophobicContact CD1-CD2 4.23Å; Y482-L510 HydrophobicContact CD1-CG 4.45Å; Y482-L510 HydrophobicContact CE1-CB 4.21Å; Y482-L510 HydrophobicContact CE1-CD2 4.23Å; V483-L510 PolarHBondContact N-O 3.14Å; L510-I512 HydrophobicContact CD1-CG1 4.36Å; L510-I512 HydrophobicContact CD2-CD1 3.99Å; L510-I512 HydrophobicContact CD2-CG1 4.13Å; L510-I512 HydrophobicContact CG-CD1 4.35Å; L510-I512 HydrophobicContact CG-CG1 3.95Å; L510-V575 HydrophobicContact CD1-CG1 4.28Å; L510-V575 HydrophobicContact CD1-CG2 4.32Å; L510-V575 HydrophobicContact CD2-CG2 4.16Å; L510-Y586 HydrophobicContact CB-CD1 3.72Å; L510-Y586 HydrophobicContact CB-CD2 4.3Å; L510-Y586 HydrophobicContact CB-CE1 3.99Å; L510-Y586 HydrophobicContact CB-CG 3.91Å; L510-Y586 HydrophobicContact CD2-CD2 3.98Å; L510-Y586 HydrophobicContact CD2-CE2 4.04Å; L510-Y586 HydrophobicContact CD2-CG 4.4Å
511A94.7Very high86.1Confident0 Ų034.4 Ų34.40%017%0.169CC..EExtended strand (participates in β ladder)trans-108.2118.1172.800000110.7H338 H339 V340 V483 I499 V502H338-A511 PolarHBondContact O-N 3.37Å; H339-A511 CarbonylContact C-O 3.54Å; H339-A511 VanDerWaalsContact CA-O 3.25Å; H339-A511 WeakPolarHBondContact CA-O 3.16Å; H339-A511 HydrophobicContact CB-CB 3.98Å; V340-A511 PolarHBondContact N-O 2.86Å; V483-A511 HydrophobicContact CB-CB 4.22Å; V483-A511 HydrophobicContact CG1-CB 4.31Å; V483-A511 CarbonylContact O-C 3.58Å; V483-A511 WeakPolarHBondContact O-CA 3.29Å; I499-A511 HydrophobicContact CB-CB 3.96Å; I499-A511 HydrophobicContact CG2-CB 3.63Å; V502-A511 HydrophobicContact CG2-CB 4.24Å
512I97.1Very high86.5Confident0 Ų033.6 Ų33.60%017%0.167CC..EExtended strand (participates in β ladder)trans-106.8124.6-179.8-57.2176.6000108.7V340 V342 A396 H400 M402 V483 I484 N485 L510 L514 I573V340-I512 HydrophobicContact CG2-CB 4.39Å; V340-I512 HydrophobicContact CG2-CG1 4Å; V340-I512 HydrophobicContact CG2-CG2 4.4Å; V342-I512 HydrophobicContact CG2-CG2 3.77Å; A396-I512 HydrophobicContact CB-CD1 4.06Å; H400-I512 VanDerWaalsContact CD2-CD1 3.46Å; H400-I512 WeakPolarHBondContact CD2-CD1 3.39Å; M402-I512 HydrophobicContact CE-CD1 3.73Å; V483-I512 PolarHBondContact O-N 2.99Å; I484-I512 CarbonylContact C-O 3.58Å; I484-I512 WeakPolarHBondContact CA-O 3.26Å; N485-I512 PolarHBondContact N-O 3.17Å; L510-I512 HydrophobicContact CD1-CG1 4.36Å; L510-I512 HydrophobicContact CD2-CD1 3.99Å; L510-I512 HydrophobicContact CD2-CG1 4.13Å; L510-I512 HydrophobicContact CG-CD1 4.35Å; L510-I512 HydrophobicContact CG-CG1 3.95Å; I512-L514 HydrophobicContact CG2-CD2 4.21Å; I512-I573 HydrophobicContact CD1-CG2 4Å; I512-I573 HydrophobicContact CG2-CG2 4.44Å
513S98.2Very high87Confident0 Ų034.2 Ų34.20%017%0.169CC..EExtended strand (participates in β ladder)trans-112.8119.2178.6-52.60000111.1V340 V341 V342 N485 Y495V340-S513 PolarHBondContact O-N 3.05Å; V341-S513 CarbonylContact C-O 3.58Å; V341-S513 WeakPolarHBondContact CA-O 3.41Å; V342-S513 PolarHBondContact N-O 3.46Å; N485-S513 PolarHBondContact ND2-OG 3.27Å; Y495-S513 WeakPolarHBondContact CE2-OG 3.36Å
514L98.3Very high88.4Confident0 Ų038.5 Ų38.50%018%0.182CC..EExtended strand (participates in β ladder)trans-86115.8177.1-52.3-175.4000108.6V342 V344 K389 Y392 N485 I512V342-L514 HydrophobicContact CB-CD2 4Å; V342-L514 HydrophobicContact CG1-CD2 4.5Å; V342-L514 HydrophobicContact CG2-CD2 4.42Å; V344-L514 HydrophobicContact CG2-CB 4Å; K389-L514 HydrophobicContact CB-CD1 4.45Å; K389-L514 HydrophobicContact CG-CB 4.4Å; K389-L514 HydrophobicContact CG-CD1 4.48Å; K389-L514 WeakPolarHBondContact O-CD1 3.46Å; Y392-L514 HydrophobicContact CD2-CD2 4.24Å; N485-L514 PolarHBondContact O-N 3.39Å; I512-L514 HydrophobicContact CG2-CD2 4.21Å
515V98Very high89.6Confident0 Ų033.7 Ų33.70%017%0.166CC..EExtended strand (participates in β ladder)trans-118.7116.4-171.9-1800000110.4V341 V342 P343 V344 L488 T517 E551 M552 L555V341-V515 HydrophobicContact CB-CG2 4.39Å; V341-V515 HydrophobicContact CG1-CB 3.83Å; V341-V515 HydrophobicContact CG1-CG2 3.53Å; V341-V515 HydrophobicContact CG2-CG2 4.09Å; V342-V515 PolarHBondContact O-N 3.41Å; P343-V515 CarbonylContact C-O 3.54Å; P343-V515 WeakPolarHBondContact CA-O 3.4Å; V344-V515 PolarHBondContact N-O 3.28Å; L488-V515 HydrophobicContact CD1-CG1 4.31Å; L488-V515 HydrophobicContact CD1-CG2 3.82Å; L488-V515 HydrophobicContact CD2-CG2 4.22Å; L488-V515 HydrophobicContact CG-CG2 4.03Å; V515-T517 PolarHBondContact O-N 3.09Å; V515-E551 WeakPolarHBondContact CA-OE2 3.23Å; V515-E551 HydrophobicContact CG1-CB 3.96Å; V515-M552 HydrophobicContact CG1-SD 3.87Å; V515-L555 HydrophobicContact CG1-CB 4.44Å; V515-L555 HydrophobicContact CG1-CD2 4.18Å; V515-L555 HydrophobicContact CG2-CD2 4.49Å
516A97.8Very high90.9Very high1 Ų133.2 Ų33.21%0.00815%0.154CC..EExtended strand (participates in β ladder)trans-66.6127.9177.200000111.5I385 E518 E520 E551 M552I385-A516 HydrophobicContact CD1-CB 4Å; I385-A516 HydrophobicContact CG1-CB 4.47Å; I385-A516 HydrophobicContact CG2-CB 3.72Å; A516-E518 VanDerWaalsContact C-N 3.33Å; A516-E518 WeakPolarHBondContact CB-O 3.29Å; A516-E520 HydrophobicContact CB-CG 4.12Å; A516-E520 WeakPolarHBondContact CB-OE1 3.14Å; A516-E551 HydrophobicContact CB-CB 4.38Å; A516-E551 HydrophobicContact CB-CG 4.49Å; A516-E551 WeakPolarHBondContact CB-OE2 3.44Å; A516-E551 PolarHBondContact N-OE2 2.74Å; A516-M552 WeakPolarHBondContact O-CG 3.45Å
517T96.6Very high92.1Very high37 Ų3731.1 Ų31.123%0.22715%0.147CC..SBendtrans-82.7-1317767.70000113.1P343 V344 N345 V515P343-T517 HydrophobicContact CB-CG2 3.81Å; V344-T517 PolarHBondContact O-N 3.16Å; N345-T517 VanDerWaalsContact CA-OG1 3.3Å; N345-T517 WeakPolarHBondContact CA-OG1 3.33Å; N345-T517 HydrophobicContact CB-CG2 3.88Å; N345-T517 VanDerWaalsContact CB-OG1 3.26Å; N345-T517 WeakPolarHBondContact CB-OG1 3.14Å; N345-T517 VanDerWaalsContact CG-OG1 3.23Å; N345-T517 PolarHBondContact ND2-OG1 3.07Å; V515-T517 PolarHBondContact O-N 3.09Å
518E96.7Very high92.8Very high59 Ų5933.1 Ų33.128%0.27618%0.175SC..SBendtrans-118.9160.7173.2-55.6-71.3148.700109.5P346 K347 I385 A516P346-E518 HydrophobicContact CG-CG 4.17Å; K347-E518 VanDerWaalsContact CE-CD 3.48Å; K347-E518 VanDerWaalsContact CE-OE1 3.28Å; K347-E518 WeakPolarHBondContact CE-OE1 3.23Å; K347-E518 IonicContact NZ-OE1 2.66Å; K347-E518 PolarHBondContact NZ-OE1 3.44Å; K347-E518 IonicContact NZ-OE2 2.89Å; K347-E518 PolarHBondContact NZ-OE2 2.81Å; I385-E518 HydrophobicContact CD1-CB 3.85Å; A516-E518 VanDerWaalsContact C-N 3.33Å; A516-E518 WeakPolarHBondContact CB-O 3.29Å
519K96.8Very high92.8Very high113 Ų11333.4 Ų33.449%0.49118%0.182SC..PPolyproline II helixtrans-68.1135.7178.7-62.3-176.9-177.3-179.20110.7W548 Y549 N550K519-W548 HydrophobicContact CB-CB 4.39Å; K519-W548 HydrophobicContact CB-CD2 4.49Å; K519-W548 HydrophobicContact CB-CE3 3.79Å; K519-W548 HydrophobicContact CD-CB 4.19Å; K519-W548 WeakPolarHBondContact O-CZ3 3.44Å; K519-Y549 CarbonylContact C-O 3.6Å; K519-Y549 VanDerWaalsContact CA-O 3.29Å; K519-Y549 WeakPolarHBondContact CA-O 3.41Å; K519-N550 HydrophobicContact CG-CB 4.28Å
520E96.3Very high92.5Very high8 Ų843.5 Ų43.54%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-100.1133.9173.5-70.8-176.5-106.500110.6S382 I385 K389 A516 V522 W548 Y549S382-E520 WeakPolarHBondContact OG-CA 3.49Å; I385-E520 HydrophobicContact CB-CG 4.01Å; I385-E520 HydrophobicContact CD1-CG 3.91Å; I385-E520 HydrophobicContact CG2-CG 3.66Å; I385-E520 WeakPolarHBondContact CG2-OE1 3.37Å; K389-E520 WeakPolarHBondContact CE-OE1 3.07Å; K389-E520 IonicContact NZ-OE1 2.61Å; K389-E520 PolarHBondContact NZ-OE1 2.89Å; A516-E520 HydrophobicContact CB-CG 4.12Å; A516-E520 WeakPolarHBondContact CB-OE1 3.14Å; E520-V522 HydrophobicContact CB-CG1 3.98Å; E520-V522 PolarHBondContact O-N 3.29Å; E520-W548 CarbonylContact O-C 3.48Å; E520-Y549 PolarHBondContact N-O 2.88Å; E520-Y549 WeakPolarHBondContact O-CB 3.45Å; E520-Y549 PolarHBondContact O-N 3.48Å
521K96.8Very high92Very high12 Ų1244.3 Ų44.35%0.05223%0.228CC..EExtended strand (participates in β ladder)trans-78.3122.5167.1-164.7177.2177.1-177.60107.7V365 H366 D369 S382 K386 T537 I547 W548V365-K521 WeakPolarHBondContact CG1-O 3.48Å; V365-K521 HydrophobicContact CG2-CG 4.3Å; H366-K521 VanDerWaalsContact CE1-CB 3.49Å; H366-K521 WeakPolarHBondContact CE1-CB 3.41Å; D369-K521 IonicContact OD1-NZ 2.75Å; D369-K521 IonicContact OD2-NZ 3.87Å; D369-K521 PolarHBondContact OD2-NZ 2.84Å; S382-K521 PolarHBondContact OG-N 3.27Å; K386-K521 VanDerWaalsContact CE-O 3.31Å; K386-K521 WeakPolarHBondContact CE-O 3.37Å; K386-K521 PolarHBondContact NZ-O 2.97Å; K521-T537 WeakPolarHBondContact CE-O 3.39Å; K521-T537 PolarHBondContact NZ-O 3.48Å; K521-I547 WeakPolarHBondContact CA-O 3.39Å; K521-W548 HydrophobicContact CB-CD2 4.48Å; K521-W548 HydrophobicContact CB-CE3 4.02Å; K521-W548 HydrophobicContact CB-CH2 3.96Å; K521-W548 HydrophobicContact CB-CZ2 4.43Å; K521-W548 HydrophobicContact CB-CZ3 3.76Å; K521-W548 HydrophobicContact CD-CH2 4.46Å; K521-W548 HydrophobicContact CD-CZ2 4.38Å
522V95.6Very high91.4Very high8 Ų853.1 Ų53.15%0.04827%0.267CS..EExtended strand (participates in β ladder)trans-133156-176.3-55.70000111.4E520 T546 I547 Y549E520-V522 HydrophobicContact CB-CG1 3.98Å; E520-V522 PolarHBondContact O-N 3.29Å; V522-T546 CarbonylContact O-C 3.55Å; V522-T546 WeakPolarHBondContact O-CA 3.37Å; V522-T546 VanDerWaalsContact O-CB 3.29Å; V522-T546 WeakPolarHBondContact O-CB 3.35Å; V522-I547 HydrophobicContact CG2-CD1 4.34Å; V522-I547 HydrophobicContact CG2-CG1 3.72Å; V522-I547 PolarHBondContact N-O 3.22Å; V522-I547 PolarHBondContact O-N 2.83Å; V522-Y549 HydrophobicContact CG1-CG 4.38Å; V522-Y549 HydrophobicContact CG2-CD2 4.15Å; V522-Y549 HydrophobicContact CG2-CG 4.09Å
523W94.1Very high90.8Very high15 Ų1556.5 Ų56.56%0.05730%0.301CS..EExtended strand (participates in β ladder)trans-66.2132.5171.2-68111.5000111.9D363 V365 R410 H525 N536 T537 C545 T546D363-W523 PolarHBondContact O-NE1 3.24Å; V365-W523 HydrophobicContact CB-CZ2 4.31Å; V365-W523 HydrophobicContact CG2-CD2 4.18Å; V365-W523 HydrophobicContact CG2-CZ2 4.26Å; R410-W523 PolarHBondContact NH1-O 2.9Å; W523-H525 AromaticContact CD2-CE1 3.67Å; W523-H525 AromaticContact CE3-CE1 3.42Å; W523-H525 VanDerWaalsContact CE3-CE1 3.42Å; W523-H525 AromaticContact CE3-ND1 3.86Å; W523-H525 AromaticContact CG-CE1 3.89Å; W523-H525 AromaticContact CG-NE2 3.92Å; W523-N536 WeakPolarHBondContact CZ3-O 3.25Å; W523-T537 HydrophobicContact CH2-CG2 3.52Å; W523-T537 HydrophobicContact CZ2-CG2 3.92Å; W523-T537 HydrophobicContact CZ3-CG2 4.42Å; W523-C545 HydrophobicContact CE3-CB 4.23Å; W523-C545 HydrophobicContact CZ3-CB 4.13Å; W523-T546 HydrophobicContact CD2-CG2 4.35Å; W523-T546 HydrophobicContact CE3-CG2 3.76Å; W523-T546 HydrophobicContact CZ3-CG2 3.88Å
524Y90.9Very high90.4Very high102 Ų10257.9 Ų57.940%0.431%0.31SS..  trans-122.3-23.9175.8-175-99.8000112.8V526 K540 C545 I547Y524-V526 HydrophobicContact CD1-CG1 3.8Å; Y524-V526 HydrophobicContact CE1-CG1 3.85Å; Y524-K540 HydrophobicContact CD1-CD 3.88Å; Y524-K540 HydrophobicContact CE1-CD 3.73Å; Y524-C545 PolarHBondContact N-O 3.25Å; Y524-I547 HydrophobicContact CD1-CG2 4.23Å; Y524-I547 HydrophobicContact CD2-CD1 3.59Å; Y524-I547 HydrophobicContact CD2-CG1 4.29Å; Y524-I547 HydrophobicContact CD2-CG2 4.26Å; Y524-I547 HydrophobicContact CE2-CD1 4.25Å; Y524-I547 HydrophobicContact CG-CD1 4.16Å; Y524-I547 HydrophobicContact CG-CG1 4.41Å; Y524-I547 HydrophobicContact CG-CG2 3.83Å
525H88.6Confident90Very high53 Ų5366.5 Ų66.525%0.24534%0.344CS..  trans4885.2175-58.4-50.9000115.6W523 C527 G531 C545W523-H525 AromaticContact CD2-CE1 3.67Å; W523-H525 AromaticContact CE3-CE1 3.42Å; W523-H525 VanDerWaalsContact CE3-CE1 3.42Å; W523-H525 AromaticContact CE3-ND1 3.86Å; W523-H525 AromaticContact CG-CE1 3.89Å; W523-H525 AromaticContact CG-NE2 3.92Å; H525-C527 VanDerWaalsContact C-N 3.33Å; H525-G531 VanDerWaalsContact CE1-CA 3.43Å; H525-G531 WeakPolarHBondContact CE1-CA 3.29Å; H525-G531 VanDerWaalsContact CG-CA 3.44Å; H525-G531 WeakPolarHBondContact ND1-CA 3.46Å; H525-G531 WeakPolarHBondContact NE2-CA 3.32Å; H525-C545 PolarHBondContact N-O 3.48Å
526V85.4Confident89.8Confident77 Ų7768.8 Ų68.847%0.46736%0.357SS..  trans-87-4.1165.1-63.80000113.4Y524 K540 G544Y524-V526 HydrophobicContact CD1-CG1 3.8Å; Y524-V526 HydrophobicContact CE1-CG1 3.85Å; V526-K540 HydrophobicContact CG1-CD 3.88Å; V526-K540 HydrophobicContact CG1-CG 3.93Å; V526-G544 VanDerWaalsContact CG2-O 3.26Å; V526-G544 WeakPolarHBondContact CG2-O 3.49Å
527C84.9Confident89.6Confident32 Ų3269.4 Ų69.422%0.21636%0.36CS..SBendtrans-69.9152.6-178.157.40000112.3H525 S529 R530 G531H525-C527 VanDerWaalsContact C-N 3.33Å; C527-S529 PolarHBondContact O-N 2.87Å; C527-R530 PolarHBondContact O-N 2.81Å; C527-G531 PolarHBondContact SG-N 2.91Å; C527-G531 VanDerWaalsContact SG-N 3.44Å
528S82.9Confident89.6Confident129 Ų12974.6 Ų74.690%0.90238%0.375SS*.THydrogen-bonded Turntrans-59.3-30.7178.754.30000113.5R530S528-R530 PolarHBondContact O-N 3Å
529S79.6Confident89.5Confident56 Ų5673 Ų7339%0.39237%0.369SS..THydrogen-bonded Turntrans-76.9-2.4176.268.40000113.9C527 G531 K532C527-S529 PolarHBondContact O-N 2.87Å; S529-G531 PolarHBondContact O-N 3.01Å; S529-K532 WeakPolarHBondContact O-CB 3.39Å; S529-K532 PolarHBondContact O-N 3.16Å; S529-K532 PolarHBondContact OG-O 2.53Å
530R81.1Confident89.4Confident212 Ų21272.4 Ų72.480%0.837%0.366SS*.THydrogen-bonded Turntrans47.244.3-179.1-62.4-170.1176.6-164.6-1112.8C527 S528C527-R530 PolarHBondContact O-N 2.81Å; S528-R530 PolarHBondContact O-N 3Å
531G82.5Confident89.3Confident17 Ų1779.7 Ų79.718%0.17540%0.4CS..THydrogen-bonded Turntrans92.5-14.4177.100000115.8H525 C527 S529 G533 C534H525-G531 VanDerWaalsContact CE1-CA 3.43Å; H525-G531 WeakPolarHBondContact CE1-CA 3.29Å; H525-G531 VanDerWaalsContact CG-CA 3.44Å; H525-G531 WeakPolarHBondContact ND1-CA 3.46Å; H525-G531 WeakPolarHBondContact NE2-CA 3.32Å; C527-G531 PolarHBondContact SG-N 2.91Å; C527-G531 VanDerWaalsContact SG-N 3.44Å; S529-G531 PolarHBondContact O-N 3.01Å; G531-G533 PolarHBondContact O-N 3.16Å; G531-C534 WeakPolarHBondContact O-CB 3.35Å; G531-C534 PolarHBondContact O-N 2.89Å; G531-C534 VanDerWaalsContact O-N 3.07Å
532K81.9Confident89.1Confident185 Ų18583.6 Ų83.680%0.80442%0.422SS*.THydrogen-bonded Turntrans-63.6111.7178.2-167.8175.9-178178.80110.5S529 C534S529-K532 WeakPolarHBondContact O-CB 3.39Å; S529-K532 PolarHBondContact O-N 3.16Å; S529-K532 PolarHBondContact OG-O 2.53Å; K532-C534 VanDerWaalsContact C-N 3.25Å; K532-C534 PolarHBondContact O-N 3.44Å
533G84.1Confident88.9Confident70 Ų7085.7 Ų85.772%0.72245%0.445SS*.THydrogen-bonded Turntrans6719.6-177.500000114.6G531G531-G533 PolarHBondContact O-N 3.16Å
534C88.9Confident88.9Confident29 Ų2985 Ų8520%0.19644%0.443CS..  trans-78.9133.7-178.5-170.40000111.5G531 K532G531-C534 WeakPolarHBondContact O-CB 3.35Å; G531-C534 PolarHBondContact O-N 2.89Å; G531-C534 VanDerWaalsContact O-N 3.07Å; K532-C534 VanDerWaalsContact C-N 3.25Å; K532-C534 PolarHBondContact O-N 3.44Å
535Y91.2Very high89.1Confident181 Ų18180.4 Ų80.471%0.7143%0.425SS*.  trans-129.915.7177.556.2-93.1000112.6K368 T537K368-Y535 PolarHBondContact NZ-O 2.81Å; Y535-T537 PolarHBondContact O-N 3.08Å; Y535-T537 VanDerWaalsContact O-N 3.16Å
536N93.1Very high89.4Confident49 Ų4977.9 Ų77.926%0.26241%0.413SS..  trans-8683.6-178.4-173.9-0.3000110.4W523 R538 G543 C545W523-N536 WeakPolarHBondContact CZ3-O 3.25Å; N536-R538 PolarHBondContact O-N 2.84Å; N536-G543 PolarHBondContact ND2-O 3.35Å; N536-G543 VanDerWaalsContact ND2-O 3.11Å; N536-C545 WeakPolarHBondContact O-CB 3.47Å; N536-C545 PolarHBondContact O-N 3.33Å; N536-C545 VanDerWaalsContact O-N 3.11Å
537T94.5Very high90Very high13 Ų1376.1 Ų76.18%0.0840%0.401CS..  trans-77.57.1-175.858.40000114.6V365 K521 W523 Y535 T546V365-T537 WeakPolarHBondContact O-CB 3.42Å; V365-T537 WeakPolarHBondContact O-CG2 3.45Å; K521-T537 WeakPolarHBondContact CE-O 3.39Å; K521-T537 PolarHBondContact NZ-O 3.48Å; W523-T537 HydrophobicContact CH2-CG2 3.52Å; W523-T537 HydrophobicContact CZ2-CG2 3.92Å; W523-T537 HydrophobicContact CZ3-CG2 4.42Å; Y535-T537 PolarHBondContact O-N 3.08Å; Y535-T537 VanDerWaalsContact O-N 3.16Å; T537-T546 PolarHBondContact O-OG1 3.21Å
538R94.8Very high90.5Very high146 Ų14678.1 Ų78.155%0.55140%0.404SS*.SBendtrans-72.7159.4174.2-63.5-170.3-60.4177.28.8110.5N536 D542 G544 C545 T546N536-R538 PolarHBondContact O-N 2.84Å; R538-D542 HydrophobicContact CB-CB 4.5Å; R538-G544 CarbonylContact O-C 3.58Å; R538-G544 VanDerWaalsContact O-C 3.32Å; R538-G544 WeakPolarHBondContact O-CA 3.45Å; R538-C545 PolarHBondContact O-N 3.32Å; R538-T546 VanDerWaalsContact C-OG1 3.24Å; R538-T546 PolarHBondContact O-N 3.37Å; R538-T546 PolarHBondContact O-OG1 3.39Å
539L95.3Very high91.2Very high26 Ų2672.6 Ų72.614%0.13636%0.364CS..BIsolated β-bridgetrans-69150.6176-63.2167.9000111E541 D542 G543 G544 T546 W548L539-E541 HydrophobicContact CB-CG 3.88Å; L539-E541 WeakPolarHBondContact CD1-OE1 3.2Å; L539-E541 PolarHBondContact O-N 2.9Å; L539-D542 CarbonylContact O-C 3.53Å; L539-D542 WeakPolarHBondContact O-CA 3.47Å; L539-D542 PolarHBondContact O-N 3.49Å; L539-G543 PolarHBondContact O-N 2.92Å; L539-G544 VanDerWaalsContact O-CA 3.23Å; L539-G544 WeakPolarHBondContact O-CA 3.46Å; L539-G544 PolarHBondContact O-N 3.22Å; L539-T546 CarbonylContact C-O 3.55Å; L539-T546 WeakPolarHBondContact CA-O 3.44Å; L539-W548 HydrophobicContact CD2-CG 4.35Å
540K94.7Very high92Very high101 Ų10172.2 Ų72.244%0.43936%0.357SS..G310 helixtrans-54-40.5177.9177.6-175.6175.1-174.40112Y524 V526 D542 G543 T546 I547Y524-K540 HydrophobicContact CD1-CD 3.88Å; Y524-K540 HydrophobicContact CE1-CD 3.73Å; V526-K540 HydrophobicContact CG1-CD 3.88Å; V526-K540 HydrophobicContact CG1-CG 3.93Å; K540-D542 PolarHBondContact O-N 3.15Å; K540-G543 PolarHBondContact O-N 3.45Å; K540-G543 VanDerWaalsContact O-N 3.14Å; K540-T546 PolarHBondContact N-O 3.13Å; K540-I547 HydrophobicContact CB-CG2 4.08Å
541E93.7Very high92.8Very high160 Ų16062.1 Ų62.175%0.74832%0.319SS*.G310 helixtrans-61.7-26.8175.961.1-162.9169.900113L539L539-E541 HydrophobicContact CB-CG 3.88Å; L539-E541 WeakPolarHBondContact CD1-OE1 3.2Å; L539-E541 PolarHBondContact O-N 2.9Å
542D93.9Very high93.4Very high95 Ų9565.1 Ų65.151%0.50833%0.329SS..G310 helixtrans-98.322.5176.8-56.3-46.6000113.1R538 L539 K540 G544R538-D542 HydrophobicContact CB-CB 4.5Å; L539-D542 CarbonylContact O-C 3.53Å; L539-D542 WeakPolarHBondContact O-CA 3.47Å; L539-D542 PolarHBondContact O-N 3.49Å; K540-D542 PolarHBondContact O-N 3.15Å; D542-G544 VanDerWaalsContact C-N 3.27Å; D542-G544 PolarHBondContact O-N 3.05Å
543G91.6Very high94.1Very high52 Ų5261.3 Ų61.354%0.53631%0.314SS..THydrogen-bonded Turntrans67.628.1-177.400000113.4N536 L539 K540N536-G543 PolarHBondContact ND2-O 3.35Å; N536-G543 VanDerWaalsContact ND2-O 3.11Å; L539-G543 PolarHBondContact O-N 2.92Å; K540-G543 PolarHBondContact O-N 3.45Å; K540-G543 VanDerWaalsContact O-N 3.14Å
544G93.2Very high94.7Very high1 Ų159 Ų591%0.0129%0.286CS..SBendtrans-101.4-16717800000114.5V526 R538 L539 D542V526-G544 VanDerWaalsContact CG2-O 3.26Å; V526-G544 WeakPolarHBondContact CG2-O 3.49Å; R538-G544 CarbonylContact O-C 3.58Å; R538-G544 VanDerWaalsContact O-C 3.32Å; R538-G544 WeakPolarHBondContact O-CA 3.45Å; L539-G544 VanDerWaalsContact O-CA 3.23Å; L539-G544 WeakPolarHBondContact O-CA 3.46Å; L539-G544 PolarHBondContact O-N 3.22Å; D542-G544 VanDerWaalsContact C-N 3.27Å; D542-G544 PolarHBondContact O-N 3.05Å
545C94.9Very high95.1Very high4 Ų457.8 Ų57.83%0.02728%0.277CS..SBendtrans-124.316.2-178.5-77.90000114W523 Y524 H525 N536 R538W523-C545 HydrophobicContact CE3-CB 4.23Å; W523-C545 HydrophobicContact CZ3-CB 4.13Å; Y524-C545 PolarHBondContact N-O 3.25Å; H525-C545 PolarHBondContact N-O 3.48Å; N536-C545 WeakPolarHBondContact O-CB 3.47Å; N536-C545 PolarHBondContact O-N 3.33Å; N536-C545 VanDerWaalsContact O-N 3.11Å; R538-C545 PolarHBondContact O-N 3.32Å
546T96.1Very high95.2Very high0 Ų052.4 Ų52.40%027%0.266CS..EExtended strand (participates in β ladder)trans-118162.6177.369.30000112V365 V522 W523 T537 R538 L539 K540V365-T546 HydrophobicContact CG2-CG2 3.39Å; V522-T546 CarbonylContact O-C 3.55Å; V522-T546 WeakPolarHBondContact O-CA 3.37Å; V522-T546 VanDerWaalsContact O-CB 3.29Å; V522-T546 WeakPolarHBondContact O-CB 3.35Å; W523-T546 HydrophobicContact CD2-CG2 4.35Å; W523-T546 HydrophobicContact CE3-CG2 3.76Å; W523-T546 HydrophobicContact CZ3-CG2 3.88Å; T537-T546 PolarHBondContact O-OG1 3.21Å; R538-T546 VanDerWaalsContact C-OG1 3.24Å; R538-T546 PolarHBondContact O-N 3.37Å; R538-T546 PolarHBondContact O-OG1 3.39Å; L539-T546 CarbonylContact C-O 3.55Å; L539-T546 WeakPolarHBondContact CA-O 3.44Å; K540-T546 PolarHBondContact N-O 3.13Å
547I96.3Very high95.2Very high41 Ų4153.1 Ų53.121%0.2127%0.268CS..EExtended strand (participates in β ladder)trans-136.7162.7169.662.4173.2000109.7K521 V522 Y524 K540 Y549K521-I547 WeakPolarHBondContact CA-O 3.39Å; V522-I547 HydrophobicContact CG2-CD1 4.34Å; V522-I547 HydrophobicContact CG2-CG1 3.72Å; V522-I547 PolarHBondContact N-O 3.22Å; V522-I547 PolarHBondContact O-N 2.83Å; Y524-I547 HydrophobicContact CD1-CG2 4.23Å; Y524-I547 HydrophobicContact CD2-CD1 3.59Å; Y524-I547 HydrophobicContact CD2-CG1 4.29Å; Y524-I547 HydrophobicContact CD2-CG2 4.26Å; Y524-I547 HydrophobicContact CE2-CD1 4.25Å; Y524-I547 HydrophobicContact CG-CD1 4.16Å; Y524-I547 HydrophobicContact CG-CG1 4.41Å; Y524-I547 HydrophobicContact CG-CG2 3.83Å; K540-I547 HydrophobicContact CB-CG2 4.08Å; I547-Y549 HydrophobicContact CD1-CD2 4.34Å
548W97.1Very high95.2Very high74 Ų7452.6 Ų52.628%0.2826%0.264SS..EExtended strand (participates in β ladder)trans-85.1117163-72.2108.8000109.7P378 E379 K519 E520 K521 L539P378-W548 HydrophobicContact CB-CH2 3.47Å; P378-W548 VanDerWaalsContact CB-CH2 3.47Å; P378-W548 HydrophobicContact CB-CZ2 3.87Å; P378-W548 HydrophobicContact CB-CZ3 4.18Å; E379-W548 HydrophobicContact CG-CH2 4.44Å; K519-W548 HydrophobicContact CB-CB 4.39Å; K519-W548 HydrophobicContact CB-CD2 4.49Å; K519-W548 HydrophobicContact CB-CE3 3.79Å; K519-W548 HydrophobicContact CD-CB 4.19Å; K519-W548 WeakPolarHBondContact O-CZ3 3.44Å; E520-W548 CarbonylContact O-C 3.48Å; K521-W548 HydrophobicContact CB-CD2 4.48Å; K521-W548 HydrophobicContact CB-CE3 4.02Å; K521-W548 HydrophobicContact CB-CH2 3.96Å; K521-W548 HydrophobicContact CB-CZ2 4.43Å; K521-W548 HydrophobicContact CB-CZ3 3.76Å; K521-W548 HydrophobicContact CD-CH2 4.46Å; K521-W548 HydrophobicContact CD-CZ2 4.38Å; L539-W548 HydrophobicContact CD2-CG 4.35Å
549Y96.4Very high95Very high13 Ų1347.4 Ų47.45%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-94.3124.6-179.3-158.1-115.1000109.9T487 L488 P489 D490 K519 E520 V522 I547 E551 L554T487-Y549 HydrophobicContact CG2-CD1 4.4Å; T487-Y549 HydrophobicContact CG2-CE1 3.83Å; L488-Y549 PolarHBondContact O-OH 3.34Å; P489-Y549 PolarHBondContact O-OH 3.07Å; D490-Y549 PolarHBondContact N-OH 3.24Å; D490-Y549 WeakPolarHBondContact OD1-CE2 3.38Å; D490-Y549 PolarHBondContact OD1-OH 3.18Å; K519-Y549 CarbonylContact C-O 3.6Å; K519-Y549 VanDerWaalsContact CA-O 3.29Å; K519-Y549 WeakPolarHBondContact CA-O 3.41Å; E520-Y549 PolarHBondContact N-O 2.88Å; E520-Y549 WeakPolarHBondContact O-CB 3.45Å; E520-Y549 PolarHBondContact O-N 3.48Å; V522-Y549 HydrophobicContact CG1-CG 4.38Å; V522-Y549 HydrophobicContact CG2-CD2 4.15Å; V522-Y549 HydrophobicContact CG2-CG 4.09Å; I547-Y549 HydrophobicContact CD1-CD2 4.34Å; Y549-E551 HydrophobicContact CD1-CG 3.63Å; Y549-E551 HydrophobicContact CE1-CG 3.61Å; Y549-L554 HydrophobicContact CD1-CD1 4.32Å; Y549-L554 HydrophobicContact CD2-CD1 4.44Å; Y549-L554 HydrophobicContact CE1-CD1 3.53Å; Y549-L554 HydrophobicContact CE2-CD1 3.67Å; Y549-L554 WeakPolarHBondContact OH-CD1 3.43Å
550N96.9Very high94.8Very high47 Ų4753 Ų5325%0.25127%0.272SS..  trans-114.688.5-174.7-174.22.7000110.2K519 M552 Q553 L554K519-N550 HydrophobicContact CG-CB 4.28Å; N550-M552 VanDerWaalsContact C-N 3.28Å; N550-M552 PolarHBondContact O-N 2.87Å; N550-M552 PolarHBondContact OD1-N 2.95Å; N550-Q553 HydrophobicContact CB-CB 4.13Å; N550-Q553 WeakPolarHBondContact ND2-CB 3.49Å; N550-Q553 PolarHBondContact O-N 3.12Å; N550-Q553 PolarHBondContact OD1-N 3.33Å; N550-L554 PolarHBondContact O-N 3.31Å; N550-L554 VanDerWaalsContact O-N 3.17Å
551E96.9Very high94.3Very high0 Ų050.1 Ų50.10%026%0.26CS..Hα-helixtrans-68-26.6-177.1-69.7-167145.800113.5K389 T487 L488 V515 A516 Y549 Q553 L554 L555K389-E551 WeakPolarHBondContact CE-OE2 3.15Å; K389-E551 IonicContact NZ-OE1 3.29Å; K389-E551 PolarHBondContact NZ-OE1 3.26Å; K389-E551 IonicContact NZ-OE2 2.79Å; K389-E551 PolarHBondContact NZ-OE2 3.07Å; T487-E551 VanDerWaalsContact CA-OE1 3.3Å; T487-E551 WeakPolarHBondContact CA-OE1 3.22Å; T487-E551 WeakPolarHBondContact CG2-OE1 3.43Å; L488-E551 HydrophobicContact CB-CG 4.4Å; L488-E551 HydrophobicContact CD1-CB 4.18Å; L488-E551 WeakPolarHBondContact CD1-O 3.35Å; L488-E551 PolarHBondContact N-OE1 2.9Å; V515-E551 WeakPolarHBondContact CA-OE2 3.23Å; V515-E551 HydrophobicContact CG1-CB 3.96Å; A516-E551 HydrophobicContact CB-CB 4.38Å; A516-E551 HydrophobicContact CB-CG 4.49Å; A516-E551 WeakPolarHBondContact CB-OE2 3.44Å; A516-E551 PolarHBondContact N-OE2 2.74Å; Y549-E551 HydrophobicContact CD1-CG 3.63Å; Y549-E551 HydrophobicContact CE1-CG 3.61Å; E551-Q553 VanDerWaalsContact C-N 3.3Å; E551-Q553 PolarHBondContact O-N 2.67Å; E551-L554 PolarHBondContact O-N 2.69Å; E551-L555 WeakPolarHBondContact O-CB 3.46Å; E551-L555 PolarHBondContact O-N 3Å
552M96.8Very high93.9Very high80 Ų8043.5 Ų43.539%0.39423%0.229SC..Hα-helixtrans-63.9-37.5173.3-66.9-59.1-60.100111.9V515 A516 N550 S556V515-M552 HydrophobicContact CG1-SD 3.87Å; A516-M552 WeakPolarHBondContact O-CG 3.45Å; N550-M552 VanDerWaalsContact C-N 3.28Å; N550-M552 PolarHBondContact O-N 2.87Å; N550-M552 PolarHBondContact OD1-N 2.95Å; M552-S556 PolarHBondContact O-N 3.11Å; M552-S556 VanDerWaalsContact O-N 3.15Å
553Q96.6Very high93.5Very high105 Ų10545.8 Ų45.849%0.49124%0.242SC..Hα-helixtrans-68.5-45.9174.3179.3-175.9-16.800110.8N550 E551 L555 S556 E557N550-Q553 HydrophobicContact CB-CB 4.13Å; N550-Q553 WeakPolarHBondContact ND2-CB 3.49Å; N550-Q553 PolarHBondContact O-N 3.12Å; N550-Q553 PolarHBondContact OD1-N 3.33Å; E551-Q553 VanDerWaalsContact C-N 3.3Å; E551-Q553 PolarHBondContact O-N 2.67Å; Q553-L555 VanDerWaalsContact C-N 3.28Å; Q553-L555 PolarHBondContact O-N 2.97Å; Q553-S556 WeakPolarHBondContact O-CB 3.33Å; Q553-S556 PolarHBondContact O-N 2.93Å; Q553-S556 VanDerWaalsContact O-N 3.12Å; Q553-E557 WeakPolarHBondContact CG-OE1 3.24Å; Q553-E557 PolarHBondContact NE2-OE1 2.81Å; Q553-E557 WeakPolarHBondContact O-CG 3.5Å; Q553-E557 PolarHBondContact O-N 2.73Å
554L96.1Very high93.1Very high22 Ų2245.6 Ų45.612%0.11523%0.232CC..Hα-helixtrans-60.9-38.8177.6-65.9170.8000112L488 Y549 N550 E551 E557 I558L488-L554 HydrophobicContact CD1-CB 4.26Å; Y549-L554 HydrophobicContact CD1-CD1 4.32Å; Y549-L554 HydrophobicContact CD2-CD1 4.44Å; Y549-L554 HydrophobicContact CE1-CD1 3.53Å; Y549-L554 HydrophobicContact CE2-CD1 3.67Å; Y549-L554 WeakPolarHBondContact OH-CD1 3.43Å; N550-L554 PolarHBondContact O-N 3.31Å; N550-L554 VanDerWaalsContact O-N 3.17Å; E551-L554 PolarHBondContact O-N 2.69Å; L554-E557 PolarHBondContact O-N 3.19Å; L554-I558 WeakPolarHBondContact O-CD1 3.33Å; L554-I558 VanDerWaalsContact O-CG1 3.24Å; L554-I558 WeakPolarHBondContact O-CG1 3.31Å; L554-I558 PolarHBondContact O-N 2.94Å
555L96.3Very high92.9Very high4 Ų451.1 Ų51.12%0.02127%0.265CS..Hα-helixtrans-59.7-47.4173.7176.959.8000110.7V341 L488 V515 E551 Q553 E557 I558 E559 I566V341-L555 HydrophobicContact CG1-CD2 4.09Å; V341-L555 HydrophobicContact CG2-CD1 3.72Å; V341-L555 HydrophobicContact CG2-CD2 4.21Å; L488-L555 HydrophobicContact CD1-CB 4.01Å; V515-L555 HydrophobicContact CG1-CB 4.44Å; V515-L555 HydrophobicContact CG1-CD2 4.18Å; V515-L555 HydrophobicContact CG2-CD2 4.49Å; E551-L555 WeakPolarHBondContact O-CB 3.46Å; E551-L555 PolarHBondContact O-N 3Å; Q553-L555 VanDerWaalsContact C-N 3.28Å; Q553-L555 PolarHBondContact O-N 2.97Å; L555-E557 VanDerWaalsContact C-N 3.31Å; L555-E557 PolarHBondContact O-N 3.46Å; L555-I558 WeakPolarHBondContact O-CB 3.43Å; L555-I558 PolarHBondContact O-N 3.5Å; L555-I558 VanDerWaalsContact O-N 3.11Å; L555-E559 HydrophobicContact CD1-CG 4.1Å; L555-E559 HydrophobicContact CG-CG 4.4Å; L555-E559 WeakPolarHBondContact O-CG 3.48Å; L555-E559 PolarHBondContact O-N 2.92Å; L555-I566 HydrophobicContact CD1-CD1 3.96Å
556S95.1Very high92.6Very high68 Ų6851 Ų5148%0.47626%0.264SS..Hα-helixtrans-60.3-39.8177.2-173.90000112.4M552 Q553 I558 E559 E560M552-S556 PolarHBondContact O-N 3.11Å; M552-S556 VanDerWaalsContact O-N 3.15Å; Q553-S556 WeakPolarHBondContact O-CB 3.33Å; Q553-S556 PolarHBondContact O-N 2.93Å; Q553-S556 VanDerWaalsContact O-N 3.12Å; S556-I558 VanDerWaalsContact C-N 3.32Å; S556-E559 PolarHBondContact O-N 3.44Å; S556-E560 WeakPolarHBondContact O-CB 3.3Å; S556-E560 PolarHBondContact O-N 2.95Å
557E93Very high92.3Very high64 Ų6454.3 Ų54.330%0.29929%0.288SS..Hα-helixtrans-66.8-33.9176.2-69.6173.5-162.600112.1Q553 L554 L555 H561Q553-E557 WeakPolarHBondContact CG-OE1 3.24Å; Q553-E557 PolarHBondContact NE2-OE1 2.81Å; Q553-E557 WeakPolarHBondContact O-CG 3.5Å; Q553-E557 PolarHBondContact O-N 2.73Å; L554-E557 PolarHBondContact O-N 3.19Å; L555-E557 VanDerWaalsContact C-N 3.31Å; L555-E557 PolarHBondContact O-N 3.46Å; E557-H561 VanDerWaalsContact O-CB 3.29Å; E557-H561 WeakPolarHBondContact O-CB 3.42Å; E557-H561 PolarHBondContact O-N 2.81Å; E557-H561 VanDerWaalsContact O-N 3.12Å
558I92.8Very high92.1Very high2 Ų258.4 Ų58.41%0.0131%0.306CS..Hα-helixtrans-69.4-47.4173.9-70.6161.2000110.6L488 K492 Y495 L554 L555 S556 E560 H561 L562 I566L488-I558 HydrophobicContact CD1-CD1 4.31Å; L488-I558 HydrophobicContact CD2-CD1 4.28Å; K492-I558 HydrophobicContact CB-CG1 3.87Å; Y495-I558 HydrophobicContact CD1-CG2 3.46Å; Y495-I558 VanDerWaalsContact CD1-CG2 3.46Å; Y495-I558 HydrophobicContact CD2-CD1 3.82Å; Y495-I558 HydrophobicContact CD2-CG2 4.36Å; Y495-I558 HydrophobicContact CE1-CG2 3.77Å; Y495-I558 HydrophobicContact CG-CD1 3.88Å; Y495-I558 HydrophobicContact CG-CG1 4.25Å; Y495-I558 HydrophobicContact CG-CG2 3.79Å; L554-I558 WeakPolarHBondContact O-CD1 3.33Å; L554-I558 VanDerWaalsContact O-CG1 3.24Å; L554-I558 WeakPolarHBondContact O-CG1 3.31Å; L554-I558 PolarHBondContact O-N 2.94Å; L555-I558 WeakPolarHBondContact O-CB 3.43Å; L555-I558 PolarHBondContact O-N 3.5Å; L555-I558 VanDerWaalsContact O-N 3.11Å; S556-I558 VanDerWaalsContact C-N 3.32Å; I558-E560 PolarHBondContact O-N 2.71Å; I558-H561 WeakPolarHBondContact O-CB 3.29Å; I558-H561 PolarHBondContact O-N 3.35Å; I558-H561 VanDerWaalsContact O-N 3.15Å; I558-L562 HydrophobicContact CG2-CD1 3.92Å; I558-L562 HydrophobicContact CG2-CG 4.42Å; I558-L562 WeakPolarHBondContact O-CG 3.2Å; I558-L562 PolarHBondContact O-N 3.23Å; I558-I566 HydrophobicContact CG2-CD1 3.99Å
559E92.3Very high91.8Very high36 Ų3655.2 Ų55.217%0.16830%0.295CS..Hα-helixtrans-63-40.7179.2-72.3-176.7147.900112.1L555 S556 H561 L562 N563 C564 T565 I566L555-E559 HydrophobicContact CD1-CG 4.1Å; L555-E559 HydrophobicContact CG-CG 4.4Å; L555-E559 WeakPolarHBondContact O-CG 3.48Å; L555-E559 PolarHBondContact O-N 2.92Å; S556-E559 PolarHBondContact O-N 3.44Å; E559-H561 VanDerWaalsContact C-N 3.32Å; E559-H561 PolarHBondContact O-N 2.96Å; E559-L562 PolarHBondContact O-N 3.32Å; E559-N563 WeakPolarHBondContact O-CA 3.49Å; E559-N563 PolarHBondContact O-N 3.16Å; E559-C564 VanDerWaalsContact CA-O 3.25Å; E559-C564 WeakPolarHBondContact CA-O 3.45Å; E559-C564 WeakPolarHBondContact CB-O 3.4Å; E559-C564 WeakPolarHBondContact CG-O 3.11Å; E559-C564 PolarHBondContact O-N 2.75Å; E559-C564 VanDerWaalsContact O-N 3.09Å; E559-T565 WeakPolarHBondContact OE1-CG2 3.3Å; E559-I566 HydrophobicContact CG-CD1 4.19Å; E559-I566 HydrophobicContact CG-CG1 4.09Å; E559-I566 PolarHBondContact OE1-N 3.24Å
560E89.2Confident91.5Very high143 Ų14361.2 Ų61.267%0.66832%0.323SS*.Hα-helixtrans-61.2-42.6172.2-176-174.5-177.600111.3S556 I558 N563S556-E560 WeakPolarHBondContact O-CB 3.3Å; S556-E560 PolarHBondContact O-N 2.95Å; I558-E560 PolarHBondContact O-N 2.71Å; E560-N563 PolarHBondContact O-N 3.32Å
561H85.1Confident91.1Very high42 Ų4260.7 Ų60.719%0.19432%0.322CS..Hα-helixtrans-67.3-38180178.344.7000113.5D331 K492 E557 I558 E559 N563D331-H561 IonicContact OD2-CE1 3.19Å; D331-H561 PolarHBondContact OD2-CE1 3.41Å; D331-H561 IonicContact OD2-NE2 2.9Å; D331-H561 PolarHBondContact OD2-NE2 2.81Å; K492-H561 HydrophobicContact CB-CB 4.46Å; K492-H561 HydrophobicContact CD-CB 3.77Å; K492-H561 HydrophobicContact CG-CB 4.21Å; E557-H561 VanDerWaalsContact O-CB 3.29Å; E557-H561 WeakPolarHBondContact O-CB 3.42Å; E557-H561 PolarHBondContact O-N 2.81Å; E557-H561 VanDerWaalsContact O-N 3.12Å; I558-H561 WeakPolarHBondContact O-CB 3.29Å; I558-H561 PolarHBondContact O-N 3.35Å; I558-H561 VanDerWaalsContact O-N 3.15Å; E559-H561 VanDerWaalsContact C-N 3.32Å; E559-H561 PolarHBondContact O-N 2.96Å; H561-N563 VanDerWaalsContact C-N 3.29Å
562L85Confident90.7Very high20 Ų2063.7 Ų63.711%0.10534%0.338CS..Hα-helixtrans-83.4-7.7177.4-65.7179.7000113V333 Y495 V496 I558 E559 C564 I566V333-L562 HydrophobicContact CG2-CD1 3.81Å; V333-L562 HydrophobicContact CG2-CD2 3.8Å; V333-L562 HydrophobicContact CG2-CG 4.38Å; Y495-L562 HydrophobicContact CD1-CD1 4.18Å; Y495-L562 HydrophobicContact CE1-CD1 3.96Å; V496-L562 HydrophobicContact CG2-CD2 3.9Å; I558-L562 HydrophobicContact CG2-CD1 3.92Å; I558-L562 HydrophobicContact CG2-CG 4.42Å; I558-L562 WeakPolarHBondContact O-CG 3.2Å; I558-L562 PolarHBondContact O-N 3.23Å; E559-L562 PolarHBondContact O-N 3.32Å; L562-C564 VanDerWaalsContact CB-SG 3.58Å; L562-C564 PolarHBondContact O-N 3.25Å; L562-I566 HydrophobicContact CD1-CD1 4.49Å
563N85.9Confident90.4Very high143 Ų14359.9 Ų59.977%0.76532%0.32SS*.THydrogen-bonded Turntrans52.238.1-172.8-16530.6000112.5E559 E560 H561E559-N563 WeakPolarHBondContact O-CA 3.49Å; E559-N563 PolarHBondContact O-N 3.16Å; E560-N563 PolarHBondContact O-N 3.32Å; H561-N563 VanDerWaalsContact C-N 3.29Å
564C84.1Confident90Very high49 Ų4960.4 Ų60.433%0.33132%0.32SS..SBendtrans-151.4147.6178.772.70000111.8E559 L562E559-C564 VanDerWaalsContact CA-O 3.25Å; E559-C564 WeakPolarHBondContact CA-O 3.45Å; E559-C564 WeakPolarHBondContact CB-O 3.4Å; E559-C564 WeakPolarHBondContact CG-O 3.11Å; E559-C564 PolarHBondContact O-N 2.75Å; E559-C564 VanDerWaalsContact O-N 3.09Å; L562-C564 VanDerWaalsContact CB-SG 3.58Å; L562-C564 PolarHBondContact O-N 3.25Å
565T87.5Confident89.4Confident116 Ų11659.9 Ų59.971%0.71232%0.318SS*.PPolyproline II helixtrans-84.3129.9167.5-56.70000109.5E559E559-T565 WeakPolarHBondContact OE1-CG2 3.3Å
566I89.8Confident88Confident2 Ų263.5 Ų63.51%0.0134%0.341CS..PPolyproline II helixtrans-83.4131.2-178.9-58.6167.3000108.9V341 Y495 L555 I558 E559 L562 Q568V341-I566 HydrophobicContact CB-CG2 4.48Å; V341-I566 HydrophobicContact CG2-CB 4.16Å; V341-I566 HydrophobicContact CG2-CG2 3.81Å; Y495-I566 HydrophobicContact CE1-CD1 4.09Å; L555-I566 HydrophobicContact CD1-CD1 3.96Å; I558-I566 HydrophobicContact CG2-CD1 3.99Å; E559-I566 HydrophobicContact CG-CD1 4.19Å; E559-I566 HydrophobicContact CG-CG1 4.09Å; E559-I566 PolarHBondContact OE1-N 3.24Å; L562-I566 HydrophobicContact CD1-CD1 4.49Å; I566-Q568 PolarHBondContact O-N 3.49Å
567S88.9Confident86.3Confident70 Ų7064.6 Ų64.649%0.4935%0.345SS..EExtended strand (participates in β ladder)trans-55.5128.1179-61.10000111.9V340 V341V340-S567 CarbonylContact C-O 3.55Å; V340-S567 VanDerWaalsContact CA-O 3.31Å; V340-S567 WeakPolarHBondContact CA-O 3.36Å; V341-S567 PolarHBondContact N-O 3.44Å
568Q91.7Very high84.2Confident127 Ų12766.6 Ų66.659%0.59336%0.358SS*.EExtended strand (participates in β ladder)trans-92.2139.1176.2-64-173.313.600110.8V341 I566V341-Q568 HydrophobicContact CB-CG 4.42Å; V341-Q568 HydrophobicContact CG1-CG 4.43Å; V341-Q568 CarbonylContact O-C 3.53Å; V341-Q568 VanDerWaalsContact O-CA 3.31Å; V341-Q568 WeakPolarHBondContact O-CA 3.32Å; I566-Q568 PolarHBondContact O-N 3.49Å
569V91.3Very high81.6Confident7 Ų776 Ų764%0.04240%0.402CS..  trans-121.5139.4179.6176.90000108.6V340 V341 V342 P343 V575V340-V569 HydrophobicContact CB-CG2 3.75Å; V340-V569 HydrophobicContact CG1-CG2 3.86Å; V340-V569 HydrophobicContact CG2-CG2 4.09Å; V341-V569 PolarHBondContact O-N 3.15Å; V342-V569 HydrophobicContact CG2-CB 4.26Å; P343-V569 VanDerWaalsContact CD-O 3.24Å; P343-V569 WeakPolarHBondContact CD-O 3.41Å; V569-V575 HydrophobicContact CG1-CG2 4.4Å; V569-V575 HydrophobicContact CG2-CG2 4.2Å
570E91.3Very high79.1Confident138 Ų13883.9 Ų83.965%0.64544%0.436SS*.  trans-61161.2-179.5-69.6-60.1147.500112.6D572 I573E570-D572 PolarHBondContact O-N 2.84Å; E570-I573 PolarHBondContact O-N 2.71Å
571P87.9Confident76.9Confident37 Ų3781.1 Ų81.124%0.2443%0.426CS..THydrogen-bonded Turntrans-54.1-18.8178.5-3339.7000116.1Y392 R395 I573Y392-P571 HydrophobicContact CE2-CB 4.33Å; Y392-P571 WeakPolarHBondContact OH-CB 3.49Å; R395-P571 VanDerWaalsContact CD-O 3.23Å; R395-P571 WeakPolarHBondContact CD-O 3.46Å; R395-P571 PolarHBondContact NH1-O 3.03Å; P571-I573 PolarHBondContact O-N 2.81Å
572D88.2Confident74.9Confident63 Ų6382.5 Ų82.534%0.33745%0.452SS..THydrogen-bonded Turntrans-74.5-7.3174.174.6-12.2000113.3E570 K574E570-D572 PolarHBondContact O-N 2.84Å; D572-K574 PolarHBondContact O-N 3.38Å; D572-K574 PolarHBondContact OD1-N 3.32Å; D572-K574 WeakPolarHBondContact OD2-CD 3.23Å; D572-K574 WeakPolarHBondContact OD2-CE 3.31Å; D572-K574 WeakPolarHBondContact OD2-CG 3.45Å; D572-K574 IonicContact OD2-NZ 3.82Å; D572-K574 PolarHBondContact OD2-NZ 2.9Å
573I90.9Very high72.9Confident0 Ų090.7 Ų90.70%049%0.486CS..  trans60.726175.5-49.1178.9000111.4V342 Y392 R395 A396 H400 I512 E570 P571 V575V342-I573 HydrophobicContact CG1-CD1 4.46Å; V342-I573 HydrophobicContact CG1-CG1 4.01Å; V342-I573 HydrophobicContact CG2-CG1 4.14Å; V342-I573 HydrophobicContact CG2-CG2 4.32Å; Y392-I573 HydrophobicContact CD2-CD1 4.26Å; Y392-I573 HydrophobicContact CG-CD1 4.32Å; Y392-I573 VanDerWaalsContact O-CD1 3.32Å; Y392-I573 WeakPolarHBondContact O-CD1 3.36Å; R395-I573 HydrophobicContact CB-CD1 4.02Å; R395-I573 HydrophobicContact CG-CD1 4.1Å; R395-I573 HydrophobicContact CG-CG1 4.45Å; A396-I573 HydrophobicContact CB-CD1 4.03Å; A396-I573 HydrophobicContact CB-CG2 4.03Å; H400-I573 PolarHBondContact CE1-O 2.88Å; H400-I573 PolarHBondContact NE2-O 3.22Å; I512-I573 HydrophobicContact CD1-CG2 4Å; I512-I573 HydrophobicContact CG2-CG2 4.44Å; E570-I573 PolarHBondContact O-N 2.71Å; P571-I573 PolarHBondContact O-N 2.81Å; I573-V575 PolarHBondContact O-N 3.32Å
574K87.8Confident71.3Confident115 Ų11585.5 Ų85.550%0.546%0.459SS..  trans-80.590.7172.5-68-169.8-165.2119.10109.9E399 D572 P576E399-K574 HydrophobicContact CG-CG 4.38Å; D572-K574 PolarHBondContact O-N 3.38Å; D572-K574 PolarHBondContact OD1-N 3.32Å; D572-K574 WeakPolarHBondContact OD2-CD 3.23Å; D572-K574 WeakPolarHBondContact OD2-CE 3.31Å; D572-K574 WeakPolarHBondContact OD2-CG 3.45Å; D572-K574 IonicContact OD2-NZ 3.82Å; D572-K574 PolarHBondContact OD2-NZ 2.9Å; K574-P576 WeakPolarHBondContact O-CD 3.31Å
575V83.3Confident70.1Confident12 Ų1286.7 Ų86.77%0.07347%0.466CS..  trans-63.8119.6172.8-176.80000108.7H338 V340 H400 L510 V569 I573 V577H338-V575 VanDerWaalsContact CE1-CG1 3.46Å; H338-V575 WeakPolarHBondContact CE1-CG1 3.39Å; V340-V575 HydrophobicContact CG1-CG1 4.08Å; V340-V575 HydrophobicContact CG2-CG2 3.98Å; H400-V575 VanDerWaalsContact CE1-CG2 3.49Å; H400-V575 WeakPolarHBondContact CE1-CG2 3.29Å; H400-V575 WeakPolarHBondContact NE2-CG2 3.31Å; L510-V575 HydrophobicContact CD1-CG1 4.28Å; L510-V575 HydrophobicContact CD1-CG2 4.32Å; L510-V575 HydrophobicContact CD2-CG2 4.16Å; V569-V575 HydrophobicContact CG1-CG2 4.4Å; V569-V575 HydrophobicContact CG2-CG2 4.2Å; I573-V575 PolarHBondContact O-N 3.32Å; V575-V577 PolarHBondContact O-N 3.14Å
576P67.3Low69.2Low79 Ų7982.3 Ų82.351%0.51344%0.436SS..  trans-55.1132175.3-2232.5000109.6K574 D578K574-P576 WeakPolarHBondContact O-CD 3.31Å; P576-D578 PolarHBondContact O-N 2.75Å; P576-D578 VanDerWaalsContact O-N 3.16Å
577V59.3Low67.5Low91 Ų9182.7 Ų82.755%0.55244%0.44SS*.  trans-79.995.7168.4-173.40000104.7V575 E579V575-V577 PolarHBondContact O-N 3.14Å; V577-E579 PolarHBondContact O-N 2.93Å
578D48.3Very low65.9Low106 Ų10685.3 Ų85.357%0.56745%0.445SS*.  trans-51.3131.8-179.6-78.4-32.5000110.3P576 F580P576-D578 PolarHBondContact O-N 2.75Å; P576-D578 VanDerWaalsContact O-N 3.16Å; D578-F580 PolarHBondContact O-N 3.41Å
579E38.4Very low63.9Low201 Ų20185.7 Ų85.794%0.93944%0.444SS*.THydrogen-bonded Turntrans-62.8-1.9177.7-72.3-173.4150.100113V577 D581V577-E579 PolarHBondContact O-N 2.93Å; E579-D581 VanDerWaalsContact C-N 3.29Å; E579-D581 PolarHBondContact O-N 2.81Å
580F41.2Very low61.8Low200 Ų20092.4 Ų92.488%0.87747%0.469SS*.THydrogen-bonded Turntrans-74.7-9.2-175.9-125.6-93.3000114.9D578D578-F580 PolarHBondContact O-N 3.41Å
581D42.2Very low59.4Low86 Ų8691.2 Ų91.246%0.4648%0.483SS..SBendtrans-152.426.8-175.1-128.5-17.1000116.6E579 K583 V584 R590E579-D581 VanDerWaalsContact C-N 3.29Å; E579-D581 PolarHBondContact O-N 2.81Å; D581-K583 PolarHBondContact O-N 2.85Å; D581-V584 HydrophobicContact CB-CG2 3.96Å; D581-R590 IonicContact OD1-NH1 3.15Å; D581-R590 IonicContact OD1-NH2 3.18Å; D581-R590 IonicContact OD2-CZ 3.31Å; D581-R590 IonicContact OD2-NH1 2.67Å; D581-R590 IonicContact OD2-NH2 2.7Å; D581-R590 PolarHBondContact OD2-NH2 3.37Å
582G42Very low57.2Low71 Ų7193.7 Ų93.773%0.73251%0.506SS*.SBendtrans39.380.7163.400000116
583K44.8Very low54.8Low192 Ų19294.2 Ų94.284%0.83553%0.527SS*.  trans72.865.1-178-66.1-177.9174.21770115.8D581 T585D581-K583 PolarHBondContact O-N 2.85Å; K583-T585 PolarHBondContact O-N 3.25Å
584V51.9Low52.4Low33 Ų3398.6 Ų98.620%0.257%0.572CS.*  trans-81103.3156.2-176.90000108.6M508 D581 Y586M508-V584 HydrophobicContact CB-CG1 3.73Å; M508-V584 HydrophobicContact CG-CG1 3.8Å; D581-V584 HydrophobicContact CB-CG2 3.96Å; V584-Y586 HydrophobicContact CG1-CD1 4.32Å; V584-Y586 HydrophobicContact CG1-CE1 4.2Å
585T57.6Low50.1Low75 Ų7595.6 Ų95.646%0.4657%0.574SS.*  trans-92.6110.4161.2-540000106.9K583 G587 Q588K583-T585 PolarHBondContact O-N 3.25Å; T585-G587 PolarHBondContact O-N 3.09Å; T585-Q588 HydrophobicContact CG2-CB 4.31Å; T585-Q588 HydrophobicContact CG2-CG 3.81Å; T585-Q588 PolarHBondContact O-N 3.49Å
586Y69.3Low48.1Very low24 Ų2498.7 Ų98.79%0.09460%0.596CS.*THydrogen-bonded Turntrans-52.2138174.1-56.8-72.1000109.4H338 Y482 M508 L510 V584 Q588H338-Y586 HydrophobicContact CB-CE1 4.13Å; H338-Y586 AromaticContact ND1-CZ 3.68Å; H338-Y586 PolarHBondContact ND1-OH 3.29Å; Y482-Y586 HydrophobicContact CE1-CG 4.28Å; Y482-Y586 WeakPolarHBondContact OH-CB 3.36Å; Y482-Y586 PolarHBondContact OH-O 2.94Å; Y482-Y586 VanDerWaalsContact OH-O 3.04Å; M508-Y586 HydrophobicContact CB-CD1 4.24Å; M508-Y586 HydrophobicContact CB-CE1 4.38Å; L510-Y586 HydrophobicContact CB-CD1 3.72Å; L510-Y586 HydrophobicContact CB-CD2 4.3Å; L510-Y586 HydrophobicContact CB-CE1 3.99Å; L510-Y586 HydrophobicContact CB-CG 3.91Å; L510-Y586 HydrophobicContact CD2-CD2 3.98Å; L510-Y586 HydrophobicContact CD2-CE2 4.04Å; L510-Y586 HydrophobicContact CD2-CG 4.4Å; V584-Y586 HydrophobicContact CG1-CD1 4.32Å; V584-Y586 HydrophobicContact CG1-CE1 4.2Å; Y586-Q588 VanDerWaalsContact C-N 3.28Å; Y586-Q588 PolarHBondContact O-N 3.3Å
587G54.8Low47.1Very low9 Ų9103.9 Ų103.99%0.09361%0.607CS.*THydrogen-bonded Turntrans7113.3-177.400000115.5R507 T585R507-G587 PolarHBondContact NH2-O 3.4Å; T585-G587 PolarHBondContact O-N 3.09Å
588Q55.6Low46.5Very low126 Ų126106.9 Ų106.959%0.58961%0.612SS**SBendtrans-115.6151164.5-66.6-166.7-10.300111.5T585 Y586T585-Q588 HydrophobicContact CG2-CB 4.31Å; T585-Q588 HydrophobicContact CG2-CG 3.81Å; T585-Q588 PolarHBondContact O-N 3.49Å; Y586-Q588 VanDerWaalsContact C-N 3.28Å; Y586-Q588 PolarHBondContact O-N 3.3Å
589K49.6Very low46.5Very low135 Ų135102.7 Ų102.759%0.58760%0.595SS**  trans-76.5138.5171.8-73.3-167.4175.2-155.90108.5E506 A591E506-K589 IonicContact OE2-NZ 2.69Å; K589-A591 PolarHBondContact O-N 2.92Å; K589-A591 VanDerWaalsContact O-N 3.14Å
590R47.1Very low46.8Very low147 Ų14796.5 Ų96.556%0.55557%0.565SS**  trans-55.1121.4171.4-75.4-175.5-177.6-168.9-0.3108.8D581 A592D581-R590 IonicContact OD1-NH1 3.15Å; D581-R590 IonicContact OD1-NH2 3.18Å; D581-R590 IonicContact OD2-CZ 3.31Å; D581-R590 IonicContact OD2-NH1 2.67Å; D581-R590 IonicContact OD2-NH2 2.7Å; D581-R590 PolarHBondContact OD2-NH2 3.37Å; R590-A592 VanDerWaalsContact C-N 3.27Å
591A40.8Very low47.4Very low114 Ų11490.7 Ų90.794%0.94255%0.546SS*.SBendtrans-87.68.717800000113.1K589K589-A591 PolarHBondContact O-N 2.92Å; K589-A591 VanDerWaalsContact O-N 3.14Å
592A40.3Very low48.4Very low88 Ų8891.5 Ų91.573%0.72755%0.55SS**SBendtrans-124.1114.317700000109.5R590R590-A592 VanDerWaalsContact C-N 3.27Å
593G37.8Very low49.1Very low75 Ų7593.8 Ų93.877%0.77354%0.544SS*.SBendtrans107.583.417900000112.4G595G593-G595 PolarHBondContact O-N 3.26Å
594G40.5Very low49.7Very low92 Ų9288.2 Ų88.295%0.94852%0.523SS*.  trans-60.9102.4176.300000112.4
595G39.3Very low50.6Low52 Ų5288.5 Ų88.554%0.53653%0.529SS..  trans-113.299.3145.400000106.7G593G593-G595 PolarHBondContact O-N 3.26Å
596S43Very low51.6Low77 Ų7788.5 Ų88.554%0.53853%0.53SS..  trans-58.6157.6167.284.60000108.3K598 G599 H600S596-K598 CarbonylContact O-C 3.51Å; S596-K598 PolarHBondContact O-N 3.02Å; S596-K598 WeakPolarHBondContact OG-CB 3.46Å; S596-K598 PolarHBondContact OG-N 3.4Å; S596-G599 WeakPolarHBondContact O-CA 3.07Å; S596-G599 PolarHBondContact O-N 2.81Å; S596-H600 PolarHBondContact O-N 3.02Å
597Y45.2Very low51.6Low188 Ų18890.6 Ų90.674%0.73755%0.546SS*.Hα-helixtrans-45.9-29.8172.6-167.6-103.2000112.7V601Y597-V601 HydrophobicContact CD1-CG2 4.36Å; Y597-V601 HydrophobicContact CE1-CG2 4.3Å; Y597-V601 VanDerWaalsContact O-CG2 3.24Å; Y597-V601 WeakPolarHBondContact O-CG2 3.39Å; Y597-V601 PolarHBondContact O-N 2.85Å; Y597-V601 VanDerWaalsContact O-N 3.09Å
598K46Very low52.4Low153 Ų15394.4 Ų94.467%0.66557%0.567SS**Hα-helixtrans-62.1-46.8171.2-138.1177-175.5-177.50112.9S596 H600 V601 D602S596-K598 CarbonylContact O-C 3.51Å; S596-K598 PolarHBondContact O-N 3.02Å; S596-K598 WeakPolarHBondContact OG-CB 3.46Å; S596-K598 PolarHBondContact OG-N 3.4Å; K598-H600 PolarHBondContact O-N 3.31Å; K598-V601 CarbonylContact O-C 3.57Å; K598-V601 PolarHBondContact O-N 3.38Å; K598-D602 WeakPolarHBondContact O-CB 3.44Å; K598-D602 PolarHBondContact O-N 3.48Å
599G49.1Very low53.6Low19 Ų1995.3 Ų95.320%0.19657%0.572CS.*Hα-helixtrans-64.9-36.4177.500000113.5S596 D602 I603S596-G599 WeakPolarHBondContact O-CA 3.07Å; S596-G599 PolarHBondContact O-N 2.81Å; G599-D602 PolarHBondContact O-N 3.38Å; G599-I603 WeakPolarHBondContact O-CB 3.34Å; G599-I603 VanDerWaalsContact O-CD1 3.31Å; G599-I603 WeakPolarHBondContact O-CD1 3.21Å; G599-I603 WeakPolarHBondContact O-CG1 3.41Å; G599-I603 PolarHBondContact O-N 3.15Å
600H45.1Very low55.1Low71 Ų7194.9 Ų94.933%0.32957%0.572SS.*Hα-helixtrans-70.9-38.3175.3-150.865.5000111.8S596 K598 I603 L604S596-H600 PolarHBondContact O-N 3.02Å; K598-H600 PolarHBondContact O-N 3.31Å; H600-I603 PolarHBondContact O-N 3.45Å; H600-L604 WeakPolarHBondContact O-CB 3.25Å; H600-L604 WeakPolarHBondContact O-CG 3.47Å; H600-L604 PolarHBondContact O-N 3.44Å
601V54Low56.4Low77 Ų7793 Ų9347%0.46757%0.572SS.*Hα-helixtrans-63.2-41.9170.2171.90000111Y597 K598 I603 L604 A605Y597-V601 HydrophobicContact CD1-CG2 4.36Å; Y597-V601 HydrophobicContact CE1-CG2 4.3Å; Y597-V601 VanDerWaalsContact O-CG2 3.24Å; Y597-V601 WeakPolarHBondContact O-CG2 3.39Å; Y597-V601 PolarHBondContact O-N 2.85Å; Y597-V601 VanDerWaalsContact O-N 3.09Å; K598-V601 CarbonylContact O-C 3.57Å; K598-V601 PolarHBondContact O-N 3.38Å; V601-I603 VanDerWaalsContact C-N 3.33Å; V601-I603 PolarHBondContact O-N 2.97Å; V601-L604 PolarHBondContact O-N 2.95Å; V601-A605 WeakPolarHBondContact O-CA 3.32Å; V601-A605 WeakPolarHBondContact O-CB 3.48Å; V601-A605 PolarHBondContact O-N 2.94Å
602D61.8Low58.3Low103 Ų10390 Ų9055%0.55155%0.547SS*.Hα-helixtrans-67.1-34.4178.6-64.9-31.4000111.7K598 G599 P606K598-D602 WeakPolarHBondContact O-CB 3.44Å; K598-D602 PolarHBondContact O-N 3.48Å; G599-D602 PolarHBondContact O-N 3.38Å; D602-P606 WeakPolarHBondContact O-CD 3.32Å
603I57.6Low60.2Low119 Ų11988.4 Ų88.461%0.6153%0.534SS*.Hα-helixtrans-71.5-41175-70.8162000111.4G599 H600 V601 P606G599-I603 WeakPolarHBondContact O-CB 3.34Å; G599-I603 VanDerWaalsContact O-CD1 3.31Å; G599-I603 WeakPolarHBondContact O-CD1 3.21Å; G599-I603 WeakPolarHBondContact O-CG1 3.41Å; G599-I603 PolarHBondContact O-N 3.15Å; H600-I603 PolarHBondContact O-N 3.45Å; V601-I603 VanDerWaalsContact C-N 3.33Å; V601-I603 PolarHBondContact O-N 2.97Å; I603-P606 WeakPolarHBondContact O-CD 3.47Å
604L57Low62.2Low75 Ų7589.3 Ų89.339%0.39352%0.521SS..Hα-helixtrans-84.9-19-178.8-69.5172.4000113H600 V601 P606 T607 V608H600-L604 WeakPolarHBondContact O-CB 3.25Å; H600-L604 WeakPolarHBondContact O-CG 3.47Å; H600-L604 PolarHBondContact O-N 3.44Å; V601-L604 PolarHBondContact O-N 2.95Å; L604-P606 VanDerWaalsContact C-CD 3.48Å; L604-T607 PolarHBondContact O-N 3.12Å; L604-T607 VanDerWaalsContact O-N 3.09Å; L604-V608 HydrophobicContact CB-CG2 4.37Å; L604-V608 WeakPolarHBondContact O-CB 3.34Å; L604-V608 VanDerWaalsContact O-CG2 3.31Å; L604-V608 WeakPolarHBondContact O-CG2 3.41Å; L604-V608 PolarHBondContact O-N 3.47Å
605A72Confident63.8Low39 Ų3990.4 Ų90.432%0.32250%0.501SS..Hα-helixtrans-54.9-43.3-177.600000113.4V601 V608 Q609V601-A605 WeakPolarHBondContact O-CA 3.32Å; V601-A605 WeakPolarHBondContact O-CB 3.48Å; V601-A605 PolarHBondContact O-N 2.94Å; A605-V608 PolarHBondContact O-N 3.46Å; A605-Q609 VanDerWaalsContact O-CB 3.3Å; A605-Q609 WeakPolarHBondContact O-CB 3.36Å; A605-Q609 WeakPolarHBondContact O-CG 3.48Å; A605-Q609 PolarHBondContact O-N 2.97Å
606P77.7Confident65.6Low75 Ų7594.7 Ų94.749%0.48751%0.505SS..Hα-helixtrans-61.5-46.5174.3-20.632.1000112D602 I603 L604 Q609 E610D602-P606 WeakPolarHBondContact O-CD 3.32Å; I603-P606 WeakPolarHBondContact O-CD 3.47Å; L604-P606 VanDerWaalsContact C-CD 3.48Å; P606-Q609 PolarHBondContact O-N 3.44Å; P606-E610 WeakPolarHBondContact O-CB 3.33Å; P606-E610 PolarHBondContact O-N 3.37Å
607T70Confident67.3Low69 Ų6997.2 Ų97.242%0.42351%0.508SS..Hα-helixtrans-66.1-39.7-179.9-48.90000112.1L604 E610 L611L604-T607 PolarHBondContact O-N 3.12Å; L604-T607 VanDerWaalsContact O-N 3.09Å; T607-E610 PolarHBondContact O-N 2.94Å; T607-L611 HydrophobicContact CG2-CD1 4.26Å; T607-L611 WeakPolarHBondContact O-CB 3.36Å; T607-L611 WeakPolarHBondContact O-CG 3.48Å; T607-L611 PolarHBondContact O-N 3.37Å
608V71.6Confident68.4Low89 Ų8991.3 Ų91.354%0.53950%0.498SS..Hα-helixtrans-68.4-38.6175.7173.10000110.6L604 A605 A612L604-V608 HydrophobicContact CB-CG2 4.37Å; L604-V608 WeakPolarHBondContact O-CB 3.34Å; L604-V608 VanDerWaalsContact O-CG2 3.31Å; L604-V608 WeakPolarHBondContact O-CG2 3.41Å; L604-V608 PolarHBondContact O-N 3.47Å; A605-V608 PolarHBondContact O-N 3.46Å; V608-A612 WeakPolarHBondContact O-CB 3.34Å; V608-A612 PolarHBondContact O-N 3.41Å
609Q79.5Confident69.5Low145 Ų14589 Ų8968%0.67849%0.49SS*.Hα-helixtrans-63.9-42.3172.9-85.1-178.8-23.500111.8A605 P606 A612 A613A605-Q609 VanDerWaalsContact O-CB 3.3Å; A605-Q609 WeakPolarHBondContact O-CB 3.36Å; A605-Q609 WeakPolarHBondContact O-CG 3.48Å; A605-Q609 PolarHBondContact O-N 2.97Å; P606-Q609 PolarHBondContact O-N 3.44Å; Q609-A612 PolarHBondContact O-N 2.9Å; Q609-A613 VanDerWaalsContact O-CB 3.29Å; Q609-A613 WeakPolarHBondContact O-CB 3.29Å; Q609-A613 PolarHBondContact O-N 3.1Å
610E82.3Confident70.6Confident125 Ų12590.6 Ų90.658%0.58450%0.496SS*.Hα-helixtrans-64.3-47.1176.2-174.4175.7-164.500111.2P606 T607 A612 A613 L614P606-E610 WeakPolarHBondContact O-CB 3.33Å; P606-E610 PolarHBondContact O-N 3.37Å; T607-E610 PolarHBondContact O-N 2.94Å; E610-A612 PolarHBondContact O-N 3.37Å; E610-A613 WeakPolarHBondContact O-CB 3.49Å; E610-A613 PolarHBondContact O-N 3.43Å; E610-A613 VanDerWaalsContact O-N 3.15Å; E610-L614 HydrophobicContact CG-CD1 4.17Å; E610-L614 WeakPolarHBondContact O-CB 3.43Å; E610-L614 WeakPolarHBondContact O-CG 3.32Å; E610-L614 PolarHBondContact O-N 3.2Å
611L74.3Confident71.7Confident108 Ų10889.4 Ų89.457%0.56550%0.496SS*.Hα-helixtrans-60.4-43.2174.8-80.3166.7000112T607 A613 L614 E615T607-L611 HydrophobicContact CG2-CD1 4.26Å; T607-L611 WeakPolarHBondContact O-CB 3.36Å; T607-L611 WeakPolarHBondContact O-CG 3.48Å; T607-L611 PolarHBondContact O-N 3.37Å; L611-A613 VanDerWaalsContact C-N 3.31Å; L611-A613 PolarHBondContact O-N 3.17Å; L611-L614 PolarHBondContact O-N 3.49Å; L611-E615 VanDerWaalsContact O-CB 3.26Å; L611-E615 WeakPolarHBondContact O-CB 3.5Å; L611-E615 PolarHBondContact O-N 3.3Å
612A79.4Confident71.9Confident51 Ų5192.9 Ų92.942%0.42151%0.505SS..Hα-helixtrans-66-35.2176.100000111.9V608 Q609 E610 K616V608-A612 WeakPolarHBondContact O-CB 3.34Å; V608-A612 PolarHBondContact O-N 3.41Å; Q609-A612 PolarHBondContact O-N 2.9Å; E610-A612 PolarHBondContact O-N 3.37Å; A612-K616 WeakPolarHBondContact O-CB 3.41Å; A612-K616 PolarHBondContact O-N 3.46Å
613A81.6Confident71.7Confident55 Ų5592.8 Ų92.846%0.45550%0.504SS..Hα-helixtrans-67.8-45174.600000111.3Q609 E610 L611 K616 E617Q609-A613 VanDerWaalsContact O-CB 3.29Å; Q609-A613 WeakPolarHBondContact O-CB 3.29Å; Q609-A613 PolarHBondContact O-N 3.1Å; E610-A613 WeakPolarHBondContact O-CB 3.49Å; E610-A613 PolarHBondContact O-N 3.43Å; E610-A613 VanDerWaalsContact O-N 3.15Å; L611-A613 VanDerWaalsContact C-N 3.31Å; L611-A613 PolarHBondContact O-N 3.17Å; A613-K616 PolarHBondContact O-N 3.14Å; A613-E617 VanDerWaalsContact O-CB 3.3Å; A613-E617 WeakPolarHBondContact O-CB 3.46Å; A613-E617 PolarHBondContact O-N 3.12Å
614L78.9Confident71.7Confident93 Ų9392.6 Ų92.649%0.48750%0.5SS..Hα-helixtrans-64.3-42.8175.7-73170.2000111.8E610 L611 E617 A618E610-L614 HydrophobicContact CG-CD1 4.17Å; E610-L614 WeakPolarHBondContact O-CB 3.43Å; E610-L614 WeakPolarHBondContact O-CG 3.32Å; E610-L614 PolarHBondContact O-N 3.2Å; L611-L614 PolarHBondContact O-N 3.49Å; L614-E617 PolarHBondContact O-N 3.25Å; L614-A618 VanDerWaalsContact O-CB 3.29Å; L614-A618 WeakPolarHBondContact O-CB 3.49Å; L614-A618 PolarHBondContact O-N 2.75Å
615E75.2Confident71.5Confident115 Ų11594.1 Ų94.154%0.53751%0.508SS..Hα-helixtrans-61-48174.1-178.7-175.9-173.900110.2L611 E617 A618 Q619L611-E615 VanDerWaalsContact O-CB 3.26Å; L611-E615 WeakPolarHBondContact O-CB 3.5Å; L611-E615 PolarHBondContact O-N 3.3Å; E615-E617 VanDerWaalsContact C-N 3.32Å; E615-E617 PolarHBondContact O-N 3.27Å; E615-A618 PolarHBondContact O-N 2.95Å; E615-Q619 HydrophobicContact CG-CG 4.38Å; E615-Q619 WeakPolarHBondContact O-CB 3.47Å; E615-Q619 VanDerWaalsContact O-CG 3.27Å; E615-Q619 WeakPolarHBondContact O-CG 3.24Å; E615-Q619 PolarHBondContact O-N 2.85Å; E615-Q619 PolarHBondContact OE1-NE2 2.96Å
616K77.4Confident70.2Confident142 Ų14295.3 Ų95.362%0.61752%0.524SS*.Hα-helixtrans-60.8-43.3176.3-177-179178.5-175.40111A612 A613 T620A612-K616 WeakPolarHBondContact O-CB 3.41Å; A612-K616 PolarHBondContact O-N 3.46Å; A613-K616 PolarHBondContact O-N 3.14Å; K616-T620 WeakPolarHBondContact O-CA 3.4Å; K616-T620 WeakPolarHBondContact O-CB 3.34Å; K616-T620 PolarHBondContact O-N 3.16Å; K616-T620 PolarHBondContact O-OG1 3.34Å
617E76.9Confident68.7Low130 Ų130101.2 Ų101.261%0.60754%0.538SS*.Hα-helixtrans-64-43.9177.8-173.4174.9-175.600111A613 L614 E615 T620 S621A613-E617 VanDerWaalsContact O-CB 3.3Å; A613-E617 WeakPolarHBondContact O-CB 3.46Å; A613-E617 PolarHBondContact O-N 3.12Å; L614-E617 PolarHBondContact O-N 3.25Å; E615-E617 VanDerWaalsContact C-N 3.32Å; E615-E617 PolarHBondContact O-N 3.27Å; E617-T620 PolarHBondContact O-N 3.27Å; E617-S621 WeakPolarHBondContact O-CA 3.26Å; E617-S621 WeakPolarHBondContact O-CB 3.3Å; E617-S621 PolarHBondContact O-N 3.04Å
618A68.6Low67.1Low64 Ų64102.6 Ų102.653%0.52954%0.542SS..Hα-helixtrans-63.1-47.1176.100000112L614 E615 S621 F622L614-A618 VanDerWaalsContact O-CB 3.29Å; L614-A618 WeakPolarHBondContact O-CB 3.49Å; L614-A618 PolarHBondContact O-N 2.75Å; E615-A618 PolarHBondContact O-N 2.95Å; A618-S621 PolarHBondContact O-N 3.31Å; A618-F622 WeakPolarHBondContact O-CB 3.33Å; A618-F622 PolarHBondContact O-N 3.31Å
619Q70.1Confident65.5Low105 Ų105103.5 Ų103.549%0.49155%0.55SS.*Hα-helixtrans-64.4-42.6176.4-71.4176.15.100111.6E615 F622 L623E615-Q619 HydrophobicContact CG-CG 4.38Å; E615-Q619 WeakPolarHBondContact O-CB 3.47Å; E615-Q619 VanDerWaalsContact O-CG 3.27Å; E615-Q619 WeakPolarHBondContact O-CG 3.24Å; E615-Q619 PolarHBondContact O-N 2.85Å; E615-Q619 PolarHBondContact OE1-NE2 2.96Å; Q619-F622 PolarHBondContact O-N 3.35Å; Q619-L623 WeakPolarHBondContact O-CG 3.28Å; Q619-L623 PolarHBondContact O-N 3.12Å
620T71.6Confident63.7Low52 Ų52104.2 Ų104.232%0.31956%0.558SS.*Hα-helixtrans-69.7-38.2179.2-54.80000110.7K616 E617 L623 H624K616-T620 WeakPolarHBondContact O-CA 3.4Å; K616-T620 WeakPolarHBondContact O-CB 3.34Å; K616-T620 PolarHBondContact O-N 3.16Å; K616-T620 PolarHBondContact O-OG1 3.34Å; E617-T620 PolarHBondContact O-N 3.27Å; T620-L623 PolarHBondContact O-N 3.23Å; T620-H624 VanDerWaalsContact CG2-CD2 3.46Å; T620-H624 WeakPolarHBondContact CG2-CD2 3.25Å; T620-H624 WeakPolarHBondContact CG2-NE2 3.37Å; T620-H624 WeakPolarHBondContact O-CB 3.38Å; T620-H624 PolarHBondContact O-CD2 2.66Å; T620-H624 PolarHBondContact O-N 3.49Å
621S68.8Low61.6Low47 Ų47106 Ų10633%0.32957%0.567SS.*Hα-helixtrans-60.6-45.7171.91770000111E617 A618 L623 H624 L625E617-S621 WeakPolarHBondContact O-CA 3.26Å; E617-S621 WeakPolarHBondContact O-CB 3.3Å; E617-S621 PolarHBondContact O-N 3.04Å; A618-S621 PolarHBondContact O-N 3.31Å; S621-L623 VanDerWaalsContact C-N 3.34Å; S621-L623 PolarHBondContact O-N 3.44Å; S621-H624 PolarHBondContact O-N 2.89Å; S621-L625 WeakPolarHBondContact O-CB 3.3Å; S621-L625 VanDerWaalsContact O-CG 3.24Å; S621-L625 WeakPolarHBondContact O-CG 3.46Å; S621-L625 PolarHBondContact O-N 2.89Å
622F56.9Low59.7Low149 Ų149108.9 Ų108.965%0.65458%0.582SS**Hα-helixtrans-59.9-42.6173.7-179.5-97.3000112.4A618 Q619 L625 G626A618-F622 WeakPolarHBondContact O-CB 3.33Å; A618-F622 PolarHBondContact O-N 3.31Å; Q619-F622 PolarHBondContact O-N 3.35Å; F622-L625 PolarHBondContact O-N 3.42Å; F622-G626 PolarHBondContact O-N 3.03Å
623L58.9Low57.5Low102 Ų102115.5 Ų115.553%0.53460%0.601SS.*Hα-helixtrans-65.3-40.9174.9-69.8170.4000111.8Q619 T620 S621 G626 Y627Q619-L623 WeakPolarHBondContact O-CG 3.28Å; Q619-L623 PolarHBondContact O-N 3.12Å; T620-L623 PolarHBondContact O-N 3.23Å; S621-L623 VanDerWaalsContact C-N 3.34Å; S621-L623 PolarHBondContact O-N 3.44Å; L623-G626 PolarHBondContact O-N 3.28Å; L623-Y627 WeakPolarHBondContact O-CD2 3.49Å; L623-Y627 PolarHBondContact O-N 3.27Å; L623-Y627 VanDerWaalsContact O-N 3.17Å
624H57.8Low55Low114 Ų114124.2 Ų124.253%0.52862%0.623SS.*Hα-helixtrans-64.8-40.1174.9-79.7-61.9000112.2T620 S621 G626 Y627 L628T620-H624 VanDerWaalsContact CG2-CD2 3.46Å; T620-H624 WeakPolarHBondContact CG2-CD2 3.25Å; T620-H624 WeakPolarHBondContact CG2-NE2 3.37Å; T620-H624 WeakPolarHBondContact O-CB 3.38Å; T620-H624 PolarHBondContact O-CD2 2.66Å; T620-H624 PolarHBondContact O-N 3.49Å; S621-H624 PolarHBondContact O-N 2.89Å; H624-G626 VanDerWaalsContact C-N 3.25Å; H624-G626 PolarHBondContact O-N 3.32Å; H624-Y627 PolarHBondContact O-N 3.38Å; H624-Y627 VanDerWaalsContact O-N 3.16Å; H624-L628 WeakPolarHBondContact O-CB 3.32Å; H624-L628 VanDerWaalsContact O-CG 3.31Å; H624-L628 WeakPolarHBondContact O-CG 3.25Å; H624-L628 PolarHBondContact O-N 3.16Å
625L52Low52.7Low107 Ų107126.6 Ų126.656%0.5664%0.641SS**Hα-helixtrans-62.6-33173.3-74165000111.9S621 F622S621-L625 WeakPolarHBondContact O-CB 3.3Å; S621-L625 VanDerWaalsContact O-CG 3.24Å; S621-L625 WeakPolarHBondContact O-CG 3.46Å; S621-L625 PolarHBondContact O-N 2.89Å; F622-L625 PolarHBondContact O-N 3.42Å
626G45.3Very low50.6Low64 Ų64133.6 Ų133.666%0.6667%0.671SS**Hα-helixtrans-75.3-18.8174.800000115.2F622 L623 H624F622-G626 PolarHBondContact O-N 3.03Å; L623-G626 PolarHBondContact O-N 3.28Å; H624-G626 VanDerWaalsContact C-N 3.25Å; H624-G626 PolarHBondContact O-N 3.32Å
627Y45.8Very low49.2Very low200 Ų200133.2 Ų133.278%0.78467%0.673SS**Hα-helixtrans-117.3-0.9-173.5-85.9-82.9000115.2L623 H624 P629L623-Y627 WeakPolarHBondContact O-CD2 3.49Å; L623-Y627 PolarHBondContact O-N 3.27Å; L623-Y627 VanDerWaalsContact O-N 3.17Å; H624-Y627 PolarHBondContact O-N 3.38Å; H624-Y627 VanDerWaalsContact O-N 3.16Å; Y627-P629 WeakPolarHBondContact O-CD 3.34Å
628L36.9Very low47.8Very low97 Ų97133.4 Ų133.451%0.50868%0.677SS.*  trans-89.6109.9175.1-77.9165.7000110.9H624 N630H624-L628 WeakPolarHBondContact O-CB 3.32Å; H624-L628 VanDerWaalsContact O-CG 3.31Å; H624-L628 WeakPolarHBondContact O-CG 3.25Å; H624-L628 PolarHBondContact O-N 3.16Å; L628-N630 PolarHBondContact O-N 3.3Å
629P38.4Very low46.6Very low109 Ų109137.2 Ų137.271%0.70869%0.685SS**THydrogen-bonded Turntrans-67.3119.9160.129.4-29.2000107.3Y627Y627-P629 WeakPolarHBondContact O-CD 3.34Å
630N41.2Very low45.3Very low159 Ų159139.1 Ų139.185%0.8570%0.696SS**THydrogen-bonded Turntrans80.946.9163.2-54.1-24.5000120.3L628L628-N630 PolarHBondContact O-N 3.3Å
631Q37.1Very low43.6Very low163 Ų163144.6 Ų144.676%0.76272%0.72SS**  trans-129.8120.6159.4-76.6-166.1-16.300114.6
632L34.8Very low41.9Very low168 Ų168151.1 Ų151.188%0.8875%0.746SS**  trans-57.7137.3169.2-84.3130.2000110.9R634L632-R634 PolarHBondContact O-N 3.2Å
633F33.8Very low40.9Very low190 Ų190151.2 Ų151.283%0.83375%0.753SS**  trans-42.7121.5174.1-66-92000112.7
634R28.5Very low39.5Very low238 Ų238155 Ų15590%0.89877%0.769SS**  trans-79.6124.1150.3-90.8-173.6175.9-178.3-0.8107.1L632 F636L632-R634 PolarHBondContact O-N 3.2Å; R634-F636 PolarHBondContact O-N 3.38Å
635T30.7Very low38Very low143 Ų143158.4 Ų158.488%0.87779%0.789SS**  trans-49.5123.6165.810.20000109.7
636F30.9Very low36.7Very low263 Ų263163.1 Ų163.1100%1.15481%0.81SS**  trans-83.40155.1-88.4-82.3000108.7R634R634-F636 PolarHBondContact O-N 3.38Å

Retrieved 636 of 636 residues in 474 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).