A0A077ZKB6_TRITR Loading...

Sulfatase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKB6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 537 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
1M60.8Low75.8Confident193 Ų19391.9 Ų91.995%0.95153%0.526SS*.  0-560-103.2-171.5-81.100112.5S3 L4 L5M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.98Å; M1-L4 PolarHBondContact O-N 3.27Å; M1-L4 VanDerWaalsContact O-N 3.12Å; M1-L5 PolarHBondContact O-N 2.93Å; M1-L5 VanDerWaalsContact O-N 3.09Å
2A73.3Confident75.9Confident60 Ų6088.6 Ų88.650%0.49652%0.518SS..Hα-helixtrans-53.2-45.118000000113.7L4 L5 F6A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.23Å; A2-L5 WeakPolarHBondContact O-CB 3.41Å; A2-L5 PolarHBondContact O-N 2.99Å; A2-L5 VanDerWaalsContact O-N 3.17Å; A2-F6 WeakPolarHBondContact O-CD2 3.49Å; A2-F6 PolarHBondContact O-N 3.11Å
3S72.7Confident75.9Confident98 Ų9890.6 Ų90.669%0.68552%0.524SS*.Hα-helixtrans-63-34.8179.7-290000113.7M1 L7M1-S3 VanDerWaalsContact C-N 3.33Å; M1-S3 PolarHBondContact O-N 2.98Å; S3-L7 WeakPolarHBondContact O-CB 3.42Å; S3-L7 PolarHBondContact O-N 3.03Å
4L74.2Confident75.9Confident126 Ų12684.4 Ų84.466%0.6649%0.489SS*.Hα-helixtrans-71.2-38.3175.3-88.3154.9000111.4M1 A2 L7 A8M1-L4 PolarHBondContact O-N 3.27Å; M1-L4 VanDerWaalsContact O-N 3.12Å; A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 3.23Å; L4-L7 PolarHBondContact O-N 3.31Å; L4-A8 WeakPolarHBondContact O-CB 3.31Å; L4-A8 PolarHBondContact O-N 3.01Å
5L76.2Confident75.8Confident127 Ų12781.7 Ų81.767%0.66547%0.47SS*.Hα-helixtrans-65.1-42.5173.4-77.6165000111.5M1 A2 A8 G9M1-L5 PolarHBondContact O-N 2.93Å; M1-L5 VanDerWaalsContact O-N 3.09Å; A2-L5 WeakPolarHBondContact O-CB 3.41Å; A2-L5 PolarHBondContact O-N 2.99Å; A2-L5 VanDerWaalsContact O-N 3.17Å; L5-A8 PolarHBondContact O-N 2.94Å; L5-G9 PolarHBondContact O-N 3.03Å
6F78.6Confident75.5Confident165 Ų16583.4 Ų83.472%0.72448%0.483SS*.Hα-helixtrans-62.3-43173.8-82.6-67.4000111.9A2 G9 N10A2-F6 WeakPolarHBondContact O-CD2 3.49Å; A2-F6 PolarHBondContact O-N 3.11Å; F6-G9 PolarHBondContact O-N 3.23Å; F6-N10 VanDerWaalsContact O-CB 3.24Å; F6-N10 WeakPolarHBondContact O-CB 3.09Å; F6-N10 PolarHBondContact O-N 3.17Å
7L79.7Confident75.2Confident40 Ų4083.5 Ų83.521%0.20949%0.49CS..Hα-helixtrans-61.4-48175.6179.964.6000111.5S3 L4 N10 I11 A39 V42S3-L7 WeakPolarHBondContact O-CB 3.42Å; S3-L7 PolarHBondContact O-N 3.03Å; L4-L7 PolarHBondContact O-N 3.31Å; L7-N10 PolarHBondContact O-N 2.92Å; L7-I11 HydrophobicContact CD1-CD1 4.17Å; L7-I11 HydrophobicContact CG-CD1 4.06Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.11Å; L7-A39 HydrophobicContact CD1-CB 3.39Å; L7-V42 HydrophobicContact CD2-CB 4.27Å; L7-V42 HydrophobicContact CD2-CG1 3.81Å
8A77.6Confident75Confident56 Ų5683.8 Ų83.846%0.46348%0.481SS..Hα-helixtrans-62.2-43.1178.100000111.8L4 L5 I11 A12L4-A8 WeakPolarHBondContact O-CB 3.31Å; L4-A8 PolarHBondContact O-N 3.01Å; L5-A8 PolarHBondContact O-N 2.94Å; A8-I11 PolarHBondContact O-N 3.04Å; A8-A12 WeakPolarHBondContact O-CB 3.36Å; A8-A12 PolarHBondContact O-N 3.4Å
9G81.1Confident74.8Confident33 Ų3384.4 Ų84.434%0.3449%0.488SS..Hα-helixtrans-63.2-41.3175.400000112.6L5 F6 A12 L13L5-G9 PolarHBondContact O-N 3.03Å; F6-G9 PolarHBondContact O-N 3.23Å; G9-A12 PolarHBondContact O-N 2.86Å; G9-L13 WeakPolarHBondContact O-CG 3.5Å; G9-L13 PolarHBondContact O-N 3.2Å
10N81.8Confident74.5Confident66 Ų6681.1 Ų81.135%0.35347%0.473SS..Hα-helixtrans-65.8-42.4177.2-166.239.5000111.8F6 L7 L13 A14 L35F6-N10 VanDerWaalsContact O-CB 3.24Å; F6-N10 WeakPolarHBondContact O-CB 3.09Å; F6-N10 PolarHBondContact O-N 3.17Å; L7-N10 PolarHBondContact O-N 2.92Å; N10-L13 PolarHBondContact O-N 3.04Å; N10-A14 WeakPolarHBondContact O-CB 3.41Å; N10-A14 PolarHBondContact O-N 3.44Å; N10-L35 PolarHBondContact ND2-O 3.29Å
11I77.9Confident74.4Confident47 Ų4777.2 Ų77.224%0.24145%0.45CS..Hα-helixtrans-61-44.9173.4-72.6167.8000110.8L7 A8 L13 A14 E15 L22 L35L7-I11 HydrophobicContact CD1-CD1 4.17Å; L7-I11 HydrophobicContact CG-CD1 4.06Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.11Å; A8-I11 PolarHBondContact O-N 3.04Å; I11-L13 PolarHBondContact O-N 3.26Å; I11-A14 PolarHBondContact O-N 3.28Å; I11-E15 PolarHBondContact O-N 3.25Å; I11-L22 HydrophobicContact CG2-CD1 3.51Å; I11-L35 HydrophobicContact CG1-CD2 4.15Å
12A76.6Confident75Confident52 Ų5269.5 Ų69.543%0.4341%0.413SS..Hα-helixtrans-61.1-45.6178.100000111.6A8 G9 A14 E15 T16A8-A12 WeakPolarHBondContact O-CB 3.36Å; A8-A12 PolarHBondContact O-N 3.4Å; G9-A12 PolarHBondContact O-N 2.86Å; A12-A14 PolarHBondContact O-N 3.41Å; A12-E15 PolarHBondContact O-N 3.28Å; A12-T16 WeakPolarHBondContact O-CB 3.37Å; A12-T16 PolarHBondContact O-N 2.93Å; A12-T16 PolarHBondContact O-OG1 3.05Å
13L76.2Confident74.7Confident115 Ų11569.5 Ų69.560%0.60241%0.407SS*.Hα-helixtrans-63-41176.6-73.2169.6000112.4G9 N10 I11 T16 S17G9-L13 WeakPolarHBondContact O-CG 3.5Å; G9-L13 PolarHBondContact O-N 3.2Å; N10-L13 PolarHBondContact O-N 3.04Å; I11-L13 PolarHBondContact O-N 3.26Å; L13-T16 PolarHBondContact O-N 2.98Å; L13-S17 WeakPolarHBondContact O-CB 3.37Å; L13-S17 PolarHBondContact O-N 3.28Å; L13-S17 PolarHBondContact O-OG 3.34Å
14A75.4Confident74.3Confident4 Ų470.2 Ų70.23%0.03339%0.394CS..Hα-helixtrans-63.3-44.417700000111.6N10 I11 A12 T16 S17 R18 L21 L35N10-A14 WeakPolarHBondContact O-CB 3.41Å; N10-A14 PolarHBondContact O-N 3.44Å; I11-A14 PolarHBondContact O-N 3.28Å; A12-A14 PolarHBondContact O-N 3.41Å; A14-T16 VanDerWaalsContact C-N 3.35Å; A14-S17 PolarHBondContact O-N 3.3Å; A14-R18 PolarHBondContact O-N 3.07Å; A14-L21 HydrophobicContact CB-CD2 3.85Å; A14-L35 HydrophobicContact CB-CD2 3.72Å
15E74.6Confident74.1Confident43 Ų4364.5 Ų64.520%0.20136%0.364CS..Hα-helixtrans-66.1-35.7174.4-86.3-65.4-175.800113I11 A12 S17 R18 P19 G20 L21 L22I11-E15 PolarHBondContact O-N 3.25Å; A12-E15 PolarHBondContact O-N 3.28Å; E15-S17 VanDerWaalsContact C-N 3.3Å; E15-S17 PolarHBondContact O-N 2.95Å; E15-R18 CarbonylContact O-C 3.58Å; E15-R18 PolarHBondContact O-N 3.44Å; E15-P19 VanDerWaalsContact O-CA 3.24Å; E15-P19 WeakPolarHBondContact O-CA 3.4Å; E15-P19 VanDerWaalsContact O-N 3.08Å; E15-G20 WeakPolarHBondContact OE2-CA 3.49Å; E15-G20 PolarHBondContact OE2-N 2.91Å; E15-L21 VanDerWaalsContact CD-N 3.32Å; E15-L21 PolarHBondContact OE1-N 3.26Å; E15-L21 VanDerWaalsContact OE1-N 3.09Å; E15-L21 PolarHBondContact OE2-N 3.02Å; E15-L22 HydrophobicContact CG-CG 4.44Å; E15-L22 WeakPolarHBondContact OE1-CB 3.32Å; E15-L22 PolarHBondContact OE1-N 2.96Å
16T71.5Confident73.6Confident110 Ų11059.4 Ų59.468%0.67534%0.337SS*.Hα-helixtrans-65.8-38.4175.3-42.90000110.8A12 L13 A14A12-T16 WeakPolarHBondContact O-CB 3.37Å; A12-T16 PolarHBondContact O-N 2.93Å; A12-T16 PolarHBondContact O-OG1 3.05Å; L13-T16 PolarHBondContact O-N 2.98Å; A14-T16 VanDerWaalsContact C-N 3.35Å
17S70.2Confident73.1Confident85 Ų8551.8 Ų51.859%0.59430%0.304SS*.Hα-helixtrans-73-33178.9-56.70000112.5L13 A14 E15L13-S17 WeakPolarHBondContact O-CB 3.37Å; L13-S17 PolarHBondContact O-N 3.28Å; L13-S17 PolarHBondContact O-OG 3.34Å; A14-S17 PolarHBondContact O-N 3.3Å; E15-S17 VanDerWaalsContact C-N 3.3Å; E15-S17 PolarHBondContact O-N 2.95Å
18R71.2Confident72.8Confident88 Ų8855.1 Ų55.133%0.33231%0.314SS..SBendtrans-138.787.1177.9-171.365.7174.6-1780.3110A14 E15 G20 L21 Y34A14-R18 PolarHBondContact O-N 3.07Å; E15-R18 CarbonylContact O-C 3.58Å; E15-R18 PolarHBondContact O-N 3.44Å; R18-G20 PolarHBondContact O-N 3.42Å; R18-L21 HydrophobicContact CB-CB 4.38Å; R18-L21 HydrophobicContact CB-CD1 4.44Å; R18-L21 HydrophobicContact CG-CD1 4.23Å; R18-L21 VanDerWaalsContact O-CB 3.28Å; R18-L21 WeakPolarHBondContact O-CB 3.27Å; R18-L21 PolarHBondContact O-N 3.25Å; R18-L21 VanDerWaalsContact O-N 3.09Å; R18-Y34 HydrophobicContact CB-CD1 4.31Å; R18-Y34 HydrophobicContact CB-CE1 4.16Å; R18-Y34 HydrophobicContact CB-CE2 4.45Å; R18-Y34 HydrophobicContact CG-CE2 4.39Å
19P72.3Confident72.6Confident96 Ų9657.1 Ų57.162%0.62332%0.317SS*.THydrogen-bonded Turntrans-55.8126.9-177.8-28.635.8000113.3E15E15-P19 VanDerWaalsContact O-CA 3.24Å; E15-P19 WeakPolarHBondContact O-CA 3.4Å; E15-P19 VanDerWaalsContact O-N 3.08Å
20G68.3Low72.2Confident17 Ų1758 Ų5818%0.17531%0.31CS..THydrogen-bonded Turntrans81.921.9-177.700000114.1E15 R18 T23 R24E15-G20 WeakPolarHBondContact OE2-CA 3.49Å; E15-G20 PolarHBondContact OE2-N 2.91Å; R18-G20 PolarHBondContact O-N 3.42Å; G20-T23 WeakPolarHBondContact CA-OG1 3.26Å; G20-T23 PolarHBondContact O-N 3.41Å; G20-T23 PolarHBondContact O-OG1 3.45Å; G20-R24 VanDerWaalsContact O-CB 3.27Å; G20-R24 WeakPolarHBondContact O-CB 3.39Å; G20-R24 VanDerWaalsContact O-CG 3.31Å; G20-R24 WeakPolarHBondContact O-CG 3.38Å; G20-R24 PolarHBondContact O-N 3.29Å
21L72.5Confident71.9Confident1 Ų155.2 Ų55.21%0.00530%0.296CS..Hα-helixtrans-57-52.2-179.9-179.368.6000111.9A14 E15 R18 T25 L31 Y34 L35A14-L21 HydrophobicContact CB-CD2 3.85Å; E15-L21 VanDerWaalsContact CD-N 3.32Å; E15-L21 PolarHBondContact OE1-N 3.26Å; E15-L21 VanDerWaalsContact OE1-N 3.09Å; E15-L21 PolarHBondContact OE2-N 3.02Å; R18-L21 HydrophobicContact CB-CB 4.38Å; R18-L21 HydrophobicContact CB-CD1 4.44Å; R18-L21 HydrophobicContact CG-CD1 4.23Å; R18-L21 VanDerWaalsContact O-CB 3.28Å; R18-L21 WeakPolarHBondContact O-CB 3.27Å; R18-L21 PolarHBondContact O-N 3.25Å; R18-L21 VanDerWaalsContact O-N 3.09Å; L21-T25 PolarHBondContact O-N 2.84Å; L21-L31 HydrophobicContact CD1-CD2 3.94Å; L21-L31 HydrophobicContact CG-CD2 3.84Å; L21-Y34 HydrophobicContact CD1-CD2 3.99Å; L21-Y34 HydrophobicContact CD1-CG 4.36Å; L21-Y34 HydrophobicContact CD2-CG 4.28Å; L21-L35 HydrophobicContact CD2-CD2 4.19Å; L21-L35 HydrophobicContact CD2-CG 4.14Å
22L72.4Confident72.1Confident31 Ų3155.1 Ų55.116%0.16230%0.297CS..Hα-helixtrans-82.3-16.8-178.6-62.5-173.2000113I11 E15 T25 L31 L35 Y43I11-L22 HydrophobicContact CG2-CD1 3.51Å; E15-L22 HydrophobicContact CG-CG 4.44Å; E15-L22 WeakPolarHBondContact OE1-CB 3.32Å; E15-L22 PolarHBondContact OE1-N 2.96Å; L22-T25 VanDerWaalsContact O-CG2 3.32Å; L22-T25 WeakPolarHBondContact O-CG2 3.46Å; L22-L31 HydrophobicContact CD2-CD2 4.21Å; L22-L35 HydrophobicContact CD2-CD1 3.72Å; L22-L35 HydrophobicContact CD2-CD2 4.16Å; L22-L35 HydrophobicContact CD2-CG 4.46Å; L22-Y43 HydrophobicContact CB-CE2 4.28Å; L22-Y43 HydrophobicContact CD1-CD2 4.38Å; L22-Y43 HydrophobicContact CD1-CE2 4.33Å; L22-Y43 HydrophobicContact CD2-CD2 3.94Å; L22-Y43 HydrophobicContact CD2-CE1 4.48Å; L22-Y43 HydrophobicContact CD2-CE2 3.79Å; L22-Y43 HydrophobicContact CD2-CG 4.34Å; L22-Y43 HydrophobicContact CG-CE2 4.37Å; L22-Y43 PolarHBondContact O-OH 3Å
23T66.7Low72.3Confident60 Ų6059.7 Ų59.737%0.36831%0.307SS..Hα-helixtrans-88.2-28.1175.661.60000112.6G20 A142 G162G20-T23 WeakPolarHBondContact CA-OG1 3.26Å; G20-T23 PolarHBondContact O-N 3.41Å; G20-T23 PolarHBondContact O-OG1 3.45Å; T23-A142 WeakPolarHBondContact O-CB 3.29Å; T23-G162 WeakPolarHBondContact O-CA 3.42Å; T23-G162 PolarHBondContact O-N 2.67Å
24R64.7Low72.5Confident113 Ų11357.6 Ų57.643%0.42629%0.292SS..Hα-helixtrans-95.7-40.1178.4-62.5179.7-174.8-170.73.3113.3G20 F26 A142G20-R24 VanDerWaalsContact O-CB 3.27Å; G20-R24 WeakPolarHBondContact O-CB 3.39Å; G20-R24 VanDerWaalsContact O-CG 3.31Å; G20-R24 WeakPolarHBondContact O-CG 3.38Å; G20-R24 PolarHBondContact O-N 3.29Å; R24-F26 PolarHBondContact O-N 3.36Å; R24-A142 HydrophobicContact CG-CB 4.4Å
25T70.3Confident72.7Confident5 Ų557.6 Ų57.63%0.03129%0.291CS..  trans50.848.6173.757.50000115.3L21 L22 L31 Y43 S163 S166L21-T25 PolarHBondContact O-N 2.84Å; L22-T25 VanDerWaalsContact O-CG2 3.32Å; L22-T25 WeakPolarHBondContact O-CG2 3.46Å; T25-L31 HydrophobicContact CG2-CD1 4.28Å; T25-Y43 HydrophobicContact CG2-CE1 4.39Å; T25-Y43 WeakPolarHBondContact CG2-OH 3.42Å; T25-S163 PolarHBondContact OG1-N 3.13Å; T25-S166 VanDerWaalsContact O-CB 3.24Å; T25-S166 WeakPolarHBondContact O-CB 3.17Å; T25-S166 PolarHBondContact O-OG 3.4Å
26F65.4Low73.1Confident21 Ų2157 Ų579%0.09230%0.297CS..  trans-80-23.4-16860.1-89.3000116.7R24 Y30 F199 W200R24-F26 PolarHBondContact O-N 3.36Å; F26-Y30 HydrophobicContact CD2-CG 4.34Å; F26-Y30 AromaticContact CE2-CD1 3.41Å; F26-Y30 HydrophobicContact CE2-CD1 3.41Å; F26-Y30 VanDerWaalsContact CE2-CD1 3.41Å; F26-Y30 AromaticContact CE2-CD2 3.68Å; F26-Y30 HydrophobicContact CE2-CD2 3.68Å; F26-Y30 AromaticContact CE2-CE1 3.91Å; F26-Y30 HydrophobicContact CE2-CE1 3.91Å; F26-Y30 HydrophobicContact CE2-CE2 4.15Å; F26-Y30 AromaticContact CE2-CG 3.28Å; F26-Y30 HydrophobicContact CE2-CG 3.28Å; F26-Y30 AromaticContact CZ-CD1 3.3Å; F26-Y30 HydrophobicContact CZ-CD1 3.3Å; F26-Y30 HydrophobicContact CZ-CD2 4.41Å; F26-Y30 AromaticContact CZ-CE1 3.94Å; F26-Y30 HydrophobicContact CZ-CE1 3.94Å; F26-Y30 AromaticContact CZ-CG 3.58Å; F26-Y30 HydrophobicContact CZ-CG 3.58Å; F26-F199 HydrophobicContact CD2-CE1 4.33Å; F26-F199 AromaticContact CD2-CE2 3.87Å; F26-F199 HydrophobicContact CD2-CE2 3.87Å; F26-F199 AromaticContact CD2-CZ 3.57Å; F26-F199 HydrophobicContact CD2-CZ 3.57Å; F26-F199 HydrophobicContact CE2-CE2 4.17Å; F26-F199 HydrophobicContact CE2-CZ 4.11Å; F26-W200 HydrophobicContact CB-CD2 3.9Å; F26-W200 HydrophobicContact CB-CE3 3.62Å; F26-W200 HydrophobicContact CB-CH2 3.27Å; F26-W200 HydrophobicContact CB-CZ2 3.54Å; F26-W200 HydrophobicContact CB-CZ3 3.29Å; F26-W200 VanDerWaalsContact O-CA 3.25Å; F26-W200 WeakPolarHBondContact O-CA 3.35Å; F26-W200 PolarHBondContact O-N 3.48Å
27S68.7Low73.8Confident5 Ų556.5 Ų56.54%0.03529%0.289CS..  trans-152.7134.5176.8160.50000110.1D29 Y30 L31S27-D29 VanDerWaalsContact C-N 3.3Å; S27-D29 PolarHBondContact O-N 3.29Å; S27-D29 PolarHBondContact OG-N 3.43Å; S27-Y30 PolarHBondContact O-N 3.13Å; S27-Y30 PolarHBondContact OG-N 3.45Å; S27-L31 WeakPolarHBondContact O-CG 3.41Å; S27-L31 PolarHBondContact O-N 3.08Å
28R73.9Confident74.5Confident110 Ų11058.9 Ų58.942%0.41530%0.295SS..Hα-helixtrans-62.1-40.2175.6-66.1-177.2179.7174.34.1111.2Y30 L31 V32 Y40R28-Y30 VanDerWaalsContact C-N 3.29Å; R28-Y30 PolarHBondContact O-N 3.32Å; R28-L31 PolarHBondContact O-N 3.07Å; R28-V32 WeakPolarHBondContact O-CG2 3.49Å; R28-V32 PolarHBondContact O-N 2.62Å; R28-Y40 WeakPolarHBondContact CD-OH 3.48Å; R28-Y40 WeakPolarHBondContact CG-OH 3.26Å
29D72.1Confident75.1Confident97 Ų9754.9 Ų54.952%0.51928%0.281SS..Hα-helixtrans-62.7-39.3177.4-59.8-22000110.9S27 V32 K33 N198S27-D29 VanDerWaalsContact C-N 3.3Å; S27-D29 PolarHBondContact O-N 3.29Å; S27-D29 PolarHBondContact OG-N 3.43Å; D29-V32 PolarHBondContact O-N 3.1Å; D29-K33 WeakPolarHBondContact O-CB 3.42Å; D29-K33 PolarHBondContact O-N 3.44Å; D29-N198 PolarHBondContact OD2-ND2 2.8Å
30Y72.9Confident75.7Confident51 Ų5151.3 Ų51.320%0.226%0.255CS..Hα-helixtrans-67.7-43173.7-93.5-101.5000112.5F26 S27 R28 V32 K33 Y34 F199 Q229F26-Y30 HydrophobicContact CD2-CG 4.34Å; F26-Y30 AromaticContact CE2-CD1 3.41Å; F26-Y30 HydrophobicContact CE2-CD1 3.41Å; F26-Y30 VanDerWaalsContact CE2-CD1 3.41Å; F26-Y30 AromaticContact CE2-CD2 3.68Å; F26-Y30 HydrophobicContact CE2-CD2 3.68Å; F26-Y30 AromaticContact CE2-CE1 3.91Å; F26-Y30 HydrophobicContact CE2-CE1 3.91Å; F26-Y30 HydrophobicContact CE2-CE2 4.15Å; F26-Y30 AromaticContact CE2-CG 3.28Å; F26-Y30 HydrophobicContact CE2-CG 3.28Å; F26-Y30 AromaticContact CZ-CD1 3.3Å; F26-Y30 HydrophobicContact CZ-CD1 3.3Å; F26-Y30 HydrophobicContact CZ-CD2 4.41Å; F26-Y30 AromaticContact CZ-CE1 3.94Å; F26-Y30 HydrophobicContact CZ-CE1 3.94Å; F26-Y30 AromaticContact CZ-CG 3.58Å; F26-Y30 HydrophobicContact CZ-CG 3.58Å; S27-Y30 PolarHBondContact O-N 3.13Å; S27-Y30 PolarHBondContact OG-N 3.45Å; R28-Y30 VanDerWaalsContact C-N 3.29Å; R28-Y30 PolarHBondContact O-N 3.32Å; Y30-V32 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 2.97Å; Y30-K33 WeakPolarHBondContact O-CB 3.24Å; Y30-K33 PolarHBondContact O-N 3.09Å; Y30-Y34 HydrophobicContact CD1-CD2 4.39Å; Y30-Y34 AromaticContact CD1-CE2 3.82Å; Y30-Y34 HydrophobicContact CD1-CE2 3.82Å; Y30-Y34 HydrophobicContact CE1-CE2 4.34Å; Y30-Y34 VanDerWaalsContact O-CD2 3.28Å; Y30-Y34 WeakPolarHBondContact O-CD2 3.38Å; Y30-Y34 PolarHBondContact O-N 2.72Å; Y30-Y34 VanDerWaalsContact O-N 3.07Å; Y30-F199 HydrophobicContact CE2-CE2 4.36Å; Y30-Q229 PolarHBondContact OH-NE2 2.95Å
31L76.4Confident76.6Confident9 Ų954.5 Ų54.55%0.04727%0.271CS..Hα-helixtrans-59.7-45.1174.9-71.4172.3000110.9L21 L22 T25 S27 R28 K33 Y34 L35 Y40L21-L31 HydrophobicContact CD1-CD2 3.94Å; L21-L31 HydrophobicContact CG-CD2 3.84Å; L22-L31 HydrophobicContact CD2-CD2 4.21Å; T25-L31 HydrophobicContact CG2-CD1 4.28Å; S27-L31 WeakPolarHBondContact O-CG 3.41Å; S27-L31 PolarHBondContact O-N 3.08Å; R28-L31 PolarHBondContact O-N 3.07Å; L31-K33 VanDerWaalsContact C-N 3.35Å; L31-K33 PolarHBondContact O-N 3.27Å; L31-Y34 PolarHBondContact O-N 3.06Å; L31-L35 HydrophobicContact CB-CD1 4.27Å; L31-L35 HydrophobicContact CD2-CD1 4.25Å; L31-L35 WeakPolarHBondContact O-CB 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.32Å; L31-L35 PolarHBondContact O-N 3.16Å; L31-Y40 HydrophobicContact CB-CD2 3.74Å; L31-Y40 HydrophobicContact CB-CE2 4.03Å; L31-Y40 HydrophobicContact CD1-CD2 4.35Å; L31-Y40 HydrophobicContact CD1-CE2 3.98Å
32V81.3Confident77.2Confident45 Ų4558 Ų5827%0.27329%0.293SS..Hα-helixtrans-63-40.9175.6172.70000111.2R28 D29 Y30 Y34 G36 I37 Y40R28-V32 WeakPolarHBondContact O-CG2 3.49Å; R28-V32 PolarHBondContact O-N 2.62Å; D29-V32 PolarHBondContact O-N 3.1Å; Y30-V32 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 2.97Å; V32-Y34 VanDerWaalsContact C-N 3.34Å; V32-Y34 PolarHBondContact O-N 2.62Å; V32-G36 WeakPolarHBondContact O-CA 3.49Å; V32-G36 PolarHBondContact O-N 3.49Å; V32-I37 HydrophobicContact CG1-CD1 4.22Å; V32-I37 HydrophobicContact CG2-CD1 4.14Å; V32-Y40 HydrophobicContact CG2-CD1 3.36Å; V32-Y40 HydrophobicContact CG2-CD2 4.3Å; V32-Y40 HydrophobicContact CG2-CE1 3.86Å; V32-Y40 HydrophobicContact CG2-CG 3.61Å
33K81.4Confident77.7Confident148 Ų14858.4 Ų58.464%0.64329%0.292SS*.Hα-helixtrans-58.8-43.3177.6179.5179.8176.5178.90112.3D29 Y30 L31D29-K33 WeakPolarHBondContact O-CB 3.42Å; D29-K33 PolarHBondContact O-N 3.44Å; Y30-K33 WeakPolarHBondContact O-CB 3.24Å; Y30-K33 PolarHBondContact O-N 3.09Å; L31-K33 VanDerWaalsContact C-N 3.35Å; L31-K33 PolarHBondContact O-N 3.27Å
34Y79.3Confident78.5Confident70 Ų7058.1 Ų58.128%0.27529%0.288SS..Hα-helixtrans-90-35.8-176.1-75.2-75.9000114R18 L21 Y30 L31 V32R18-Y34 HydrophobicContact CB-CD1 4.31Å; R18-Y34 HydrophobicContact CB-CE1 4.16Å; R18-Y34 HydrophobicContact CB-CE2 4.45Å; R18-Y34 HydrophobicContact CG-CE2 4.39Å; L21-Y34 HydrophobicContact CD1-CD2 3.99Å; L21-Y34 HydrophobicContact CD1-CG 4.36Å; L21-Y34 HydrophobicContact CD2-CG 4.28Å; Y30-Y34 HydrophobicContact CD1-CD2 4.39Å; Y30-Y34 AromaticContact CD1-CE2 3.82Å; Y30-Y34 HydrophobicContact CD1-CE2 3.82Å; Y30-Y34 HydrophobicContact CE1-CE2 4.34Å; Y30-Y34 VanDerWaalsContact O-CD2 3.28Å; Y30-Y34 WeakPolarHBondContact O-CD2 3.38Å; Y30-Y34 PolarHBondContact O-N 2.72Å; Y30-Y34 VanDerWaalsContact O-N 3.07Å; L31-Y34 PolarHBondContact O-N 3.06Å; V32-Y34 VanDerWaalsContact C-N 3.34Å; V32-Y34 PolarHBondContact O-N 2.62Å
35L81Confident79.5Confident4 Ų454.5 Ų54.52%0.02129%0.287CS..Hα-helixtrans-87.2-25-179.9-62.8168.5000112.6N10 I11 A14 L21 L22 L31 A39N10-L35 PolarHBondContact ND2-O 3.29Å; I11-L35 HydrophobicContact CG1-CD2 4.15Å; A14-L35 HydrophobicContact CB-CD2 3.72Å; L21-L35 HydrophobicContact CD2-CD2 4.19Å; L21-L35 HydrophobicContact CD2-CG 4.14Å; L22-L35 HydrophobicContact CD2-CD1 3.72Å; L22-L35 HydrophobicContact CD2-CD2 4.16Å; L22-L35 HydrophobicContact CD2-CG 4.46Å; L31-L35 HydrophobicContact CB-CD1 4.27Å; L31-L35 HydrophobicContact CD2-CD1 4.25Å; L31-L35 WeakPolarHBondContact O-CB 3.3Å; L31-L35 WeakPolarHBondContact O-CG 3.32Å; L31-L35 PolarHBondContact O-N 3.16Å; L35-A39 HydrophobicContact CB-CB 4.08Å; L35-A39 WeakPolarHBondContact O-CB 3.48Å
36G83.3Confident80.2Confident32 Ų3258 Ų5833%0.3331%0.307SS..  trans74.2156-161.400000112.1V32 N38 A39 Y40V32-G36 WeakPolarHBondContact O-CA 3.49Å; V32-G36 PolarHBondContact O-N 3.49Å; G36-N38 VanDerWaalsContact C-N 3.32Å; G36-N38 PolarHBondContact O-N 2.7Å; G36-A39 PolarHBondContact O-N 3.09Å; G36-Y40 WeakPolarHBondContact O-CB 3.46Å; G36-Y40 PolarHBondContact O-N 2.8Å
37I85.4Confident80.8Confident99 Ų9959.1 Ų59.151%0.50831%0.313SS..Hα-helixtrans-58.8-40.4-171.7-167.563.4000112.9V32 Y40 T41V32-I37 HydrophobicContact CG1-CD1 4.22Å; V32-I37 HydrophobicContact CG2-CD1 4.14Å; I37-Y40 HydrophobicContact CD1-CD1 4.37Å; I37-Y40 PolarHBondContact O-N 3.12Å; I37-T41 WeakPolarHBondContact O-CB 3.48Å; I37-T41 PolarHBondContact O-N 3.27Å; I37-T41 PolarHBondContact O-OG1 2.97Å
38N85.1Confident81.4Confident134 Ų13461.1 Ų61.172%0.71733%0.325SS*.Hα-helixtrans-65.6-46.9-176.4-65.3-28000112.4G36 T41 V42G36-N38 VanDerWaalsContact C-N 3.32Å; G36-N38 PolarHBondContact O-N 2.7Å; N38-T41 PolarHBondContact O-N 2.83Å; N38-V42 PolarHBondContact O-N 2.68Å
39A83.9Confident82Confident4 Ų462.9 Ų62.93%0.03333%0.332CS..Hα-helixtrans-70.5-38.5179.600000111.2L7 L35 G36 V42 Y43L7-A39 HydrophobicContact CD1-CB 3.39Å; L35-A39 HydrophobicContact CB-CB 4.08Å; L35-A39 WeakPolarHBondContact O-CB 3.48Å; G36-A39 PolarHBondContact O-N 3.09Å; A39-V42 PolarHBondContact O-N 3.46Å; A39-Y43 WeakPolarHBondContact O-CB 3.46Å; A39-Y43 PolarHBondContact O-N 2.91Å
40Y84.5Confident82.4Confident22 Ų2262.8 Ų62.89%0.08633%0.329CS..Hα-helixtrans-59-46.2172.4172.7-106.2000111.9R28 L31 V32 G36 I37 V42 Y43 D44R28-Y40 WeakPolarHBondContact CD-OH 3.48Å; R28-Y40 WeakPolarHBondContact CG-OH 3.26Å; L31-Y40 HydrophobicContact CB-CD2 3.74Å; L31-Y40 HydrophobicContact CB-CE2 4.03Å; L31-Y40 HydrophobicContact CD1-CD2 4.35Å; L31-Y40 HydrophobicContact CD1-CE2 3.98Å; V32-Y40 HydrophobicContact CG2-CD1 3.36Å; V32-Y40 HydrophobicContact CG2-CD2 4.3Å; V32-Y40 HydrophobicContact CG2-CE1 3.86Å; V32-Y40 HydrophobicContact CG2-CG 3.61Å; G36-Y40 WeakPolarHBondContact O-CB 3.46Å; G36-Y40 PolarHBondContact O-N 2.8Å; I37-Y40 HydrophobicContact CD1-CD1 4.37Å; I37-Y40 PolarHBondContact O-N 3.12Å; Y40-V42 VanDerWaalsContact C-N 3.32Å; Y40-V42 PolarHBondContact O-N 3.24Å; Y40-Y43 PolarHBondContact O-N 2.98Å; Y40-D44 HydrophobicContact CE1-CB 4.37Å; Y40-D44 HydrophobicContact CE2-CB 4.14Å; Y40-D44 VanDerWaalsContact O-CB 3.29Å; Y40-D44 WeakPolarHBondContact O-CB 3.36Å; Y40-D44 PolarHBondContact O-N 3.13Å; Y40-D44 PolarHBondContact OH-OD1 2.98Å
41T86.6Confident82.6Confident84 Ų8461.2 Ų61.252%0.51532%0.324SS..Hα-helixtrans-59.7-40.4178.6-61.30000112.3I37 N38 G45I37-T41 WeakPolarHBondContact O-CB 3.48Å; I37-T41 PolarHBondContact O-N 3.27Å; I37-T41 PolarHBondContact O-OG1 2.97Å; N38-T41 PolarHBondContact O-N 2.83Å; T41-G45 PolarHBondContact O-N 2.86Å
42V85.3Confident82.9Confident74 Ų7463.7 Ų63.745%0.44834%0.343SS..Hα-helixtrans-66.5-46.9176176.40000111L7 N38 A39 Y40 G45 V46L7-V42 HydrophobicContact CD2-CB 4.27Å; L7-V42 HydrophobicContact CD2-CG1 3.81Å; N38-V42 PolarHBondContact O-N 2.68Å; A39-V42 PolarHBondContact O-N 3.46Å; Y40-V42 VanDerWaalsContact C-N 3.32Å; Y40-V42 PolarHBondContact O-N 3.24Å; V42-G45 PolarHBondContact O-N 2.69Å; V42-V46 WeakPolarHBondContact O-CG2 3.21Å; V42-V46 PolarHBondContact O-N 2.57Å
43Y83.8Confident83Confident40 Ų4065.1 Ų65.116%0.15735%0.346CS..Hα-helixtrans-58-49.8177.4171.3-93.6000112L22 T25 A39 Y40 G45 V46 K47L22-Y43 HydrophobicContact CB-CE2 4.28Å; L22-Y43 HydrophobicContact CD1-CD2 4.38Å; L22-Y43 HydrophobicContact CD1-CE2 4.33Å; L22-Y43 HydrophobicContact CD2-CD2 3.94Å; L22-Y43 HydrophobicContact CD2-CE1 4.48Å; L22-Y43 HydrophobicContact CD2-CE2 3.79Å; L22-Y43 HydrophobicContact CD2-CG 4.34Å; L22-Y43 HydrophobicContact CG-CE2 4.37Å; L22-Y43 PolarHBondContact O-OH 3Å; T25-Y43 HydrophobicContact CG2-CE1 4.39Å; T25-Y43 WeakPolarHBondContact CG2-OH 3.42Å; A39-Y43 WeakPolarHBondContact O-CB 3.46Å; A39-Y43 PolarHBondContact O-N 2.91Å; Y40-Y43 PolarHBondContact O-N 2.98Å; Y43-G45 VanDerWaalsContact C-N 3.34Å; Y43-G45 PolarHBondContact O-N 2.94Å; Y43-V46 PolarHBondContact O-N 2.54Å; Y43-K47 HydrophobicContact CE1-CG 4.25Å; Y43-K47 HydrophobicContact CE2-CG 4.26Å; Y43-K47 PolarHBondContact O-N 2.97Å
44D82.5Confident83Confident53 Ų5361.9 Ų61.928%0.28334%0.335SS..Hα-helixtrans-64.8-38.5-179.4-168.283.8000111.6Y40 K47 T48Y40-D44 HydrophobicContact CE1-CB 4.37Å; Y40-D44 HydrophobicContact CE2-CB 4.14Å; Y40-D44 VanDerWaalsContact O-CB 3.29Å; Y40-D44 WeakPolarHBondContact O-CB 3.36Å; Y40-D44 PolarHBondContact O-N 3.13Å; Y40-D44 PolarHBondContact OH-OD1 2.98Å; D44-K47 PolarHBondContact O-N 2.99Å; D44-T48 WeakPolarHBondContact O-CB 3.29Å; D44-T48 PolarHBondContact O-N 3.21Å; D44-T48 PolarHBondContact O-OG1 3.43Å
45G85.9Confident83.3Confident38 Ų3862.9 Ų62.939%0.39234%0.338SS..Hα-helixtrans-62-45.8174.400000113T41 V42 Y43 T48 Y49T41-G45 PolarHBondContact O-N 2.86Å; V42-G45 PolarHBondContact O-N 2.69Å; Y43-G45 VanDerWaalsContact C-N 3.34Å; Y43-G45 PolarHBondContact O-N 2.94Å; G45-T48 PolarHBondContact O-N 2.73Å; G45-Y49 WeakPolarHBondContact O-CB 3.33Å; G45-Y49 PolarHBondContact O-N 3.27Å
46V85.4Confident83.5Confident77 Ų7766.3 Ų66.347%0.46737%0.368SS..Hα-helixtrans-63.3-47.6177.3171.10000111.1V42 Y43 T48 Y49 Q50V42-V46 WeakPolarHBondContact O-CG2 3.21Å; V42-V46 PolarHBondContact O-N 2.57Å; Y43-V46 PolarHBondContact O-N 2.54Å; V46-T48 PolarHBondContact O-N 2.93Å; V46-Y49 PolarHBondContact O-N 3.41Å; V46-Q50 WeakPolarHBondContact O-CG 3.33Å; V46-Q50 PolarHBondContact O-N 2.81Å
47K78.7Confident83.7Confident46 Ų4672 Ų7220%0.239%0.385CS..Hα-helixtrans-63-43178.5-76.3-67.6-175.71780111.9Y43 D44 Y49 Q50 V51Y43-K47 HydrophobicContact CE1-CG 4.25Å; Y43-K47 HydrophobicContact CE2-CG 4.26Å; Y43-K47 PolarHBondContact O-N 2.97Å; D44-K47 PolarHBondContact O-N 2.99Å; K47-Y49 VanDerWaalsContact C-N 3.33Å; K47-Y49 PolarHBondContact O-N 3.33Å; K47-Q50 PolarHBondContact O-N 3.46Å; K47-V51 WeakPolarHBondContact O-CG2 3.4Å; K47-V51 PolarHBondContact O-N 3.07Å
48T81.5Confident84Confident47 Ų4767.9 Ų67.929%0.28837%0.367SS..Hα-helixtrans-62.1-40.1176.4-68.10000111.9D44 G45 V46 S52D44-T48 WeakPolarHBondContact O-CB 3.29Å; D44-T48 PolarHBondContact O-N 3.21Å; D44-T48 PolarHBondContact O-OG1 3.43Å; G45-T48 PolarHBondContact O-N 2.73Å; V46-T48 PolarHBondContact O-N 2.93Å; T48-S52 VanDerWaalsContact O-CB 3.28Å; T48-S52 WeakPolarHBondContact O-CB 3.4Å; T48-S52 PolarHBondContact O-N 2.87Å; T48-S52 PolarHBondContact O-OG 3.48Å
49Y84.5Confident84.3Confident147 Ų14763.3 Ų63.358%0.57635%0.345SS*.Hα-helixtrans-63.5-47.1175.1179.4-99.2000112.2G45 V46 K47 V51 S52 Q53G45-Y49 WeakPolarHBondContact O-CB 3.33Å; G45-Y49 PolarHBondContact O-N 3.27Å; V46-Y49 PolarHBondContact O-N 3.41Å; K47-Y49 VanDerWaalsContact C-N 3.33Å; K47-Y49 PolarHBondContact O-N 3.33Å; Y49-V51 PolarHBondContact O-N 2.85Å; Y49-S52 PolarHBondContact O-N 3.02Å; Y49-Q53 HydrophobicContact CD1-CG 4.34Å; Y49-Q53 HydrophobicContact CE1-CG 3.93Å; Y49-Q53 HydrophobicContact CE2-CG 4.17Å; Y49-Q53 VanDerWaalsContact CZ-NE2 3.34Å; Y49-Q53 WeakPolarHBondContact O-CG 3.06Å; Y49-Q53 PolarHBondContact O-N 3.33Å; Y49-Q53 PolarHBondContact OH-NE2 3.05Å
50Q80.9Confident84.7Confident95 Ų9567 Ų6744%0.44437%0.369SS..Hα-helixtrans-57.9-50.4177.6-73.7176.8-19.500111.8V46 K47 S52 Q53 I54V46-Q50 WeakPolarHBondContact O-CG 3.33Å; V46-Q50 PolarHBondContact O-N 2.81Å; K47-Q50 PolarHBondContact O-N 3.46Å; Q50-S52 VanDerWaalsContact C-N 3.32Å; Q50-S52 PolarHBondContact O-N 3Å; Q50-Q53 PolarHBondContact O-N 3.45Å; Q50-I54 PolarHBondContact O-N 2.9Å; Q50-I54 VanDerWaalsContact O-N 3.17Å
51V78.4Confident85.3Confident17 Ų1770.6 Ų70.610%0.10339%0.389CS..Hα-helixtrans-60.5-42.7177.9169.80000111.2K47 Y49 Q53 I54 R55 L168K47-V51 WeakPolarHBondContact O-CG2 3.4Å; K47-V51 PolarHBondContact O-N 3.07Å; Y49-V51 PolarHBondContact O-N 2.85Å; V51-Q53 VanDerWaalsContact C-N 3.3Å; V51-Q53 PolarHBondContact O-N 3.42Å; V51-I54 PolarHBondContact O-N 3.38Å; V51-R55 VanDerWaalsContact O-CB 3.24Å; V51-R55 WeakPolarHBondContact O-CB 3.21Å; V51-R55 PolarHBondContact O-N 2.92Å; V51-L168 HydrophobicContact CB-CD2 4.32Å; V51-L168 HydrophobicContact CG1-CD2 3.48Å; V51-L168 VanDerWaalsContact CG1-CD2 3.48Å; V51-L168 HydrophobicContact CG2-CD2 3.79Å
52S81.2Confident85.6Confident62 Ų6269.2 Ų69.243%0.43438%0.379SS..Hα-helixtrans-64.8-35.3-179.6-58.60000112.3T48 Y49 Q50 A56T48-S52 VanDerWaalsContact O-CB 3.28Å; T48-S52 WeakPolarHBondContact O-CB 3.4Å; T48-S52 PolarHBondContact O-N 2.87Å; T48-S52 PolarHBondContact O-OG 3.48Å; Y49-S52 PolarHBondContact O-N 3.02Å; Q50-S52 VanDerWaalsContact C-N 3.32Å; Q50-S52 PolarHBondContact O-N 3Å; S52-A56 VanDerWaalsContact O-CB 3.23Å; S52-A56 WeakPolarHBondContact O-CB 3.29Å; S52-A56 PolarHBondContact O-N 3.34Å
53Q84.9Confident86.1Confident75 Ų7565.9 Ų65.935%0.3536%0.358SS..Hα-helixtrans-68.9-47177.2-73.3-68.74.500112.2Y49 Q50 V51 R55 A56 Q57Y49-Q53 HydrophobicContact CD1-CG 4.34Å; Y49-Q53 HydrophobicContact CE1-CG 3.93Å; Y49-Q53 HydrophobicContact CE2-CG 4.17Å; Y49-Q53 VanDerWaalsContact CZ-NE2 3.34Å; Y49-Q53 WeakPolarHBondContact O-CG 3.06Å; Y49-Q53 PolarHBondContact O-N 3.33Å; Y49-Q53 PolarHBondContact OH-NE2 3.05Å; Q50-Q53 PolarHBondContact O-N 3.45Å; V51-Q53 VanDerWaalsContact C-N 3.3Å; V51-Q53 PolarHBondContact O-N 3.42Å; Q53-R55 VanDerWaalsContact C-N 3.33Å; Q53-R55 PolarHBondContact O-N 3.32Å; Q53-A56 PolarHBondContact O-N 3.45Å; Q53-A56 VanDerWaalsContact O-N 3.16Å; Q53-Q57 WeakPolarHBondContact O-CG 3.43Å; Q53-Q57 PolarHBondContact O-N 3.08Å; Q53-Q57 VanDerWaalsContact O-N 3.13Å
54I81.7Confident86.6Confident80 Ų8070.4 Ų70.441%0.4138%0.381SS..Hα-helixtrans-60-47.6176.8-62.3168000109.8Q50 V51 A56 Q57 A58 N467Q50-I54 PolarHBondContact O-N 2.9Å; Q50-I54 VanDerWaalsContact O-N 3.17Å; V51-I54 PolarHBondContact O-N 3.38Å; I54-A56 VanDerWaalsContact C-N 3.27Å; I54-A56 PolarHBondContact O-N 3.12Å; I54-Q57 PolarHBondContact O-N 2.99Å; I54-Q57 VanDerWaalsContact O-N 3.13Å; I54-A58 PolarHBondContact O-N 3.14Å; I54-A58 VanDerWaalsContact O-N 3.13Å; I54-N467 HydrophobicContact CG2-CB 3.96Å; I54-N467 WeakPolarHBondContact CG2-O 3.47Å
55R85.2Confident87.2Confident90 Ų9072 Ų7234%0.3439%0.392SS..Hα-helixtrans-62.5-30.4177.1-175.7173.9-175.4-136.76.1113.4V51 Q53 D469 R472V51-R55 VanDerWaalsContact O-CB 3.24Å; V51-R55 WeakPolarHBondContact O-CB 3.21Å; V51-R55 PolarHBondContact O-N 2.92Å; Q53-R55 VanDerWaalsContact C-N 3.33Å; Q53-R55 PolarHBondContact O-N 3.32Å; R55-D469 HydrophobicContact CG-CB 4.1Å; R55-D469 IonicContact CZ-OD2 2.98Å; R55-D469 IonicContact NE-OD2 2.75Å; R55-D469 PolarHBondContact NE-OD2 3.19Å; R55-D469 IonicContact NH2-OD2 2.67Å; R55-D469 PolarHBondContact NH2-OD2 3.03Å; R55-R472 PolarHBondContact O-NH1 2.91Å; R55-R472 PolarHBondContact O-NH2 3.32Å
56A84.7Confident87.6Confident77 Ų7770.5 Ų70.564%0.63638%0.375SS*.Hα-helixtrans-75.5-26.4176.900000112.7S52 Q53 I54S52-A56 VanDerWaalsContact O-CB 3.23Å; S52-A56 WeakPolarHBondContact O-CB 3.29Å; S52-A56 PolarHBondContact O-N 3.34Å; Q53-A56 PolarHBondContact O-N 3.45Å; Q53-A56 VanDerWaalsContact O-N 3.16Å; I54-A56 VanDerWaalsContact C-N 3.27Å; I54-A56 PolarHBondContact O-N 3.12Å
57Q88.1Confident88.1Confident150 Ų15067.1 Ų67.170%0.70136%0.355SS*.Hα-helixtrans-83-24.4177.3-68.4173.86.500112.7Q53 I54 S59Q53-Q57 WeakPolarHBondContact O-CG 3.43Å; Q53-Q57 PolarHBondContact O-N 3.08Å; Q53-Q57 VanDerWaalsContact O-N 3.13Å; I54-Q57 PolarHBondContact O-N 2.99Å; I54-Q57 VanDerWaalsContact O-N 3.13Å; Q57-S59 PolarHBondContact O-N 3.12Å
58A90.3Very high88.8Confident14 Ų1469.9 Ų69.912%0.11637%0.369CS..  trans-62.5129.3178.800000113.1I54 G468 L470 R472 F473I54-A58 PolarHBondContact O-N 3.14Å; I54-A58 VanDerWaalsContact O-N 3.13Å; A58-G468 WeakPolarHBondContact CB-O 3.44Å; A58-L470 HydrophobicContact CB-CD2 3.68Å; A58-R472 PolarHBondContact O-NH2 2.79Å; A58-F473 WeakPolarHBondContact O-CE2 3.41Å
59S92.1Very high89.3Confident38 Ų3871.5 Ų71.527%0.26637%0.372SS..  trans-120.3161.5-174.275.20000113.2Q57 N61 D62 F473Q57-S59 PolarHBondContact O-N 3.12Å; S59-N61 PolarHBondContact O-N 3Å; S59-N61 PolarHBondContact OG-N 3.18Å; S59-D62 WeakPolarHBondContact CB-OD2 3.2Å; S59-D62 PolarHBondContact N-OD2 3.31Å; S59-D62 PolarHBondContact O-N 3Å; S59-D62 PolarHBondContact OG-N 3.45Å; S59-D62 PolarHBondContact OG-OD1 3.43Å; S59-D62 PolarHBondContact OG-OD2 2.79Å; S59-F473 VanDerWaalsContact C-CE2 3.47Å
60P93.6Very high89.7Confident81 Ų8164.5 Ų64.553%0.52634%0.344SS..Hα-helixtrans-57.3-35.4170.9-25.634.7000113.6D62 M63 E64 F473P60-D62 VanDerWaalsContact C-N 3.31Å; P60-D62 PolarHBondContact O-N 3.12Å; P60-M63 WeakPolarHBondContact O-CB 3.43Å; P60-M63 PolarHBondContact O-N 3.46Å; P60-E64 PolarHBondContact O-N 2.87Å; P60-F473 HydrophobicContact CB-CB 4.37Å; P60-F473 HydrophobicContact CB-CD1 4.47Å; P60-F473 HydrophobicContact CB-CG 4.34Å; P60-F473 HydrophobicContact CG-CD1 3.86Å; P60-F473 HydrophobicContact CG-CE1 3.99Å; P60-F473 HydrophobicContact CG-CG 4.15Å; P60-F473 HydrophobicContact CG-CZ 4.37Å
61N95.3Very high90.1Very high97 Ų9763.7 Ų63.752%0.51934%0.339SS..Hα-helixtrans-64.1-36.6179.1-178.186.6000111.9S59 M63 E64 V65S59-N61 PolarHBondContact O-N 3Å; S59-N61 PolarHBondContact OG-N 3.18Å; N61-M63 VanDerWaalsContact C-N 3.3Å; N61-M63 PolarHBondContact O-N 3.42Å; N61-E64 PolarHBondContact O-N 3.28Å; N61-V65 WeakPolarHBondContact O-CG2 3.23Å; N61-V65 PolarHBondContact O-N 2.67Å
62D93.4Very high90.6Very high56 Ų5669.3 Ų69.330%0.29937%0.365SS..Hα-helixtrans-62-41.9175.8-54.5-43000110.7S59 P60 L66 L470S59-D62 WeakPolarHBondContact CB-OD2 3.2Å; S59-D62 PolarHBondContact N-OD2 3.31Å; S59-D62 PolarHBondContact O-N 3Å; S59-D62 PolarHBondContact OG-N 3.45Å; S59-D62 PolarHBondContact OG-OD1 3.43Å; S59-D62 PolarHBondContact OG-OD2 2.79Å; P60-D62 VanDerWaalsContact C-N 3.31Å; P60-D62 PolarHBondContact O-N 3.12Å; D62-L66 WeakPolarHBondContact O-CG 3.35Å; D62-L66 PolarHBondContact O-N 3.45Å; D62-L470 HydrophobicContact CB-CD1 4.38Å; D62-L470 HydrophobicContact CB-CD2 4.13Å
63M95.6Very high90.9Very high3 Ų369 Ų692%0.01536%0.356CS..Hα-helixtrans-66.2-41.8175.7-172.564.3-121.200111.9P60 N61 L66 A67 M394 L470 L471 F473 Y474P60-M63 WeakPolarHBondContact O-CB 3.43Å; P60-M63 PolarHBondContact O-N 3.46Å; N61-M63 VanDerWaalsContact C-N 3.3Å; N61-M63 PolarHBondContact O-N 3.42Å; M63-L66 PolarHBondContact O-N 3.36Å; M63-A67 HydrophobicContact CE-CB 4.01Å; M63-A67 VanDerWaalsContact O-CB 3.28Å; M63-A67 WeakPolarHBondContact O-CB 3.29Å; M63-A67 PolarHBondContact O-N 2.89Å; M63-M394 HydrophobicContact CE-CG 3.63Å; M63-M394 HydrophobicContact CE-SD 3.46Å; M63-M394 WeakPolarHBondContact CE-SD 3.45Å; M63-L470 HydrophobicContact CB-CB 4.23Å; M63-L470 HydrophobicContact CG-CB 4.4Å; M63-L470 WeakPolarHBondContact CG-O 3.34Å; M63-L470 HydrophobicContact SD-CB 3.55Å; M63-L470 VanDerWaalsContact SD-CB 3.55Å; M63-L471 HydrophobicContact SD-CD2 4.46Å; M63-F473 HydrophobicContact CB-CB 4.08Å; M63-F473 HydrophobicContact CG-CB 4.32Å; M63-Y474 HydrophobicContact CE-CD2 3.85Å; M63-Y474 HydrophobicContact CE-CG 4.06Å; M63-Y474 HydrophobicContact CG-CD2 4.19Å; M63-Y474 HydrophobicContact CG-CG 4.44Å
64E94.8Very high90.8Very high136 Ų13671 Ų7164%0.63638%0.376SS*.Hα-helixtrans-61.8-45.1179.1-171.8174.5-177.800111.8P60 N61 L66 A67 E68P60-E64 PolarHBondContact O-N 2.87Å; N61-E64 PolarHBondContact O-N 3.28Å; E64-L66 VanDerWaalsContact C-N 3.34Å; E64-L66 PolarHBondContact O-N 2.91Å; E64-A67 PolarHBondContact O-N 2.93Å; E64-E68 WeakPolarHBondContact O-CB 3.35Å; E64-E68 PolarHBondContact O-N 3.25Å
65V95.1Very high90.9Very high85 Ų8568.9 Ų68.952%0.51536%0.364SS..Hα-helixtrans-60.3-43.9176.3170.80000111.4N61 K69N61-V65 WeakPolarHBondContact O-CG2 3.23Å; N61-V65 PolarHBondContact O-N 2.67Å; V65-K69 WeakPolarHBondContact O-CB 3.49Å; V65-K69 PolarHBondContact O-N 3.45Å
66L94.6Very high90.9Very high8 Ų869 Ų694%0.04237%0.368CS..Hα-helixtrans-67.5-42.3177.4-68.7-175.8000112.1D62 M63 E64 K69 L70 I461 Q464 I465 L470D62-L66 WeakPolarHBondContact O-CG 3.35Å; D62-L66 PolarHBondContact O-N 3.45Å; M63-L66 PolarHBondContact O-N 3.36Å; E64-L66 VanDerWaalsContact C-N 3.34Å; E64-L66 PolarHBondContact O-N 2.91Å; L66-K69 PolarHBondContact O-N 3.1Å; L66-L70 WeakPolarHBondContact O-CG 3.25Å; L66-L70 PolarHBondContact O-N 2.63Å; L66-I461 HydrophobicContact CD1-CG2 4.42Å; L66-I461 HydrophobicContact CD2-CB 4.47Å; L66-I461 HydrophobicContact CD2-CG1 3.93Å; L66-I461 HydrophobicContact CD2-CG2 4.19Å; L66-Q464 HydrophobicContact CD1-CB 3.92Å; L66-I465 HydrophobicContact CD1-CG1 4.02Å; L66-L470 HydrophobicContact CD1-CD1 3.52Å
67A94.8Very high91.1Very high6 Ų668.1 Ų68.15%0.0535%0.352CS..Hα-helixtrans-63.6-45.7179.900000111.9M63 E64 K69 L70 K71 M394 Y474M63-A67 HydrophobicContact CE-CB 4.01Å; M63-A67 VanDerWaalsContact O-CB 3.28Å; M63-A67 WeakPolarHBondContact O-CB 3.29Å; M63-A67 PolarHBondContact O-N 2.89Å; E64-A67 PolarHBondContact O-N 2.93Å; A67-K69 VanDerWaalsContact C-N 3.28Å; A67-K69 PolarHBondContact O-N 3.24Å; A67-L70 PolarHBondContact O-N 3.1Å; A67-K71 WeakPolarHBondContact O-CB 3.17Å; A67-K71 VanDerWaalsContact O-CG 3.31Å; A67-K71 WeakPolarHBondContact O-CG 3.42Å; A67-K71 PolarHBondContact O-N 3.06Å; A67-M394 HydrophobicContact CB-CE 4.35Å; A67-M394 HydrophobicContact CB-SD 3.74Å; A67-Y474 HydrophobicContact CB-CD2 4.12Å; A67-Y474 HydrophobicContact CB-CE2 3.67Å
68E93.9Very high91.5Very high103 Ų10362.3 Ų62.348%0.48133%0.325SS..Hα-helixtrans-59.4-43.5176.6-177.157.3-153.300110.8E64 L70 K71 Q72E64-E68 WeakPolarHBondContact O-CB 3.35Å; E64-E68 PolarHBondContact O-N 3.25Å; E68-L70 PolarHBondContact O-N 3.37Å; E68-K71 PolarHBondContact O-N 3.04Å; E68-Q72 WeakPolarHBondContact O-CG 3.28Å; E68-Q72 PolarHBondContact O-N 3.31Å; E68-Q72 PolarHBondContact OE1-NE2 3.08Å
69K92.3Very high91.7Very high81 Ų8171.1 Ų71.135%0.35236%0.361SS..Hα-helixtrans-61.7-44.1177.2-165.9170.4-163.7-176.60112.7V65 L66 A67 Q72 E457 I461V65-K69 WeakPolarHBondContact O-CB 3.49Å; V65-K69 PolarHBondContact O-N 3.45Å; L66-K69 PolarHBondContact O-N 3.1Å; A67-K69 VanDerWaalsContact C-N 3.28Å; A67-K69 PolarHBondContact O-N 3.24Å; K69-Q72 PolarHBondContact O-N 2.97Å; K69-E457 WeakPolarHBondContact CE-OE1 2.87Å; K69-E457 IonicContact NZ-OE1 2.66Å; K69-E457 PolarHBondContact NZ-OE1 3.42Å; K69-E457 IonicContact NZ-OE2 2.69Å; K69-E457 PolarHBondContact NZ-OE2 3.18Å; K69-I461 HydrophobicContact CD-CD1 4.45Å
70L92.3Very high91.8Very high0 Ų076.4 Ų76.40%038%0.382CS..Hα-helixtrans-71.7-31.4179-69.4178.6000113.1L66 A67 E68 Q72 Q73 K75 M394 L396 I461L66-L70 WeakPolarHBondContact O-CG 3.25Å; L66-L70 PolarHBondContact O-N 2.63Å; A67-L70 PolarHBondContact O-N 3.1Å; E68-L70 PolarHBondContact O-N 3.37Å; L70-Q72 VanDerWaalsContact C-N 3.29Å; L70-Q72 PolarHBondContact O-N 3.08Å; L70-Q73 PolarHBondContact O-N 2.8Å; L70-K75 WeakPolarHBondContact O-CE 3.46Å; L70-M394 HydrophobicContact CB-CE 4.48Å; L70-M394 HydrophobicContact CD1-CB 4.39Å; L70-M394 HydrophobicContact CD1-SD 3.97Å; L70-L396 HydrophobicContact CD1-CD2 3.91Å; L70-L396 HydrophobicContact CD2-CD2 3.42Å; L70-L396 VanDerWaalsContact CD2-CD2 3.42Å; L70-L396 HydrophobicContact CG-CD2 4.31Å; L70-I461 HydrophobicContact CD1-CG2 4.18Å; L70-I461 HydrophobicContact CD2-CD1 4.28Å; L70-I461 HydrophobicContact CD2-CG2 4.46Å
71K90.3Very high92Very high78 Ų7873.1 Ų73.134%0.33936%0.36SS..Hα-helixtrans-69.3-27175-75.7178.7-177-177.90112.7A67 E68 Q73 D476A67-K71 WeakPolarHBondContact O-CB 3.17Å; A67-K71 VanDerWaalsContact O-CG 3.31Å; A67-K71 WeakPolarHBondContact O-CG 3.42Å; A67-K71 PolarHBondContact O-N 3.06Å; E68-K71 PolarHBondContact O-N 3.04Å; K71-Q73 VanDerWaalsContact C-N 3.32Å; K71-D476 IonicContact NZ-OD2 2.62Å; K71-D476 PolarHBondContact NZ-OD2 2.94Å
72Q88.6Confident92Very high136 Ų13671.9 Ų71.964%0.63635%0.35SS*.THydrogen-bonded Turntrans-78.7-13.9176.4-69.9174.215.300113.5E68 K69 L70E68-Q72 WeakPolarHBondContact O-CG 3.28Å; E68-Q72 PolarHBondContact O-N 3.31Å; E68-Q72 PolarHBondContact OE1-NE2 3.08Å; K69-Q72 PolarHBondContact O-N 2.97Å; L70-Q72 VanDerWaalsContact C-N 3.29Å; L70-Q72 PolarHBondContact O-N 3.08Å
73Q87.3Confident92.2Very high55 Ų5570.3 Ų70.326%0.25735%0.347SS..SBendtrans-70.3139.9177.5-68.7-176.5-800110.9L70 K71 K75L70-Q73 PolarHBondContact O-N 2.8Å; K71-Q73 VanDerWaalsContact C-N 3.32Å; Q73-K75 PolarHBondContact O-N 2.94Å; Q73-K75 VanDerWaalsContact O-N 3.14Å
74P82.3Confident92.3Very high116 Ų11672.8 Ų72.875%0.75336%0.36SS*.  trans-63.3114.4177.6-19.231.1000111.7H398P74-H398 PolarHBondContact O-CD2 3.43Å
75K84Confident92.5Very high36 Ų3666.3 Ų66.316%0.15733%0.329CS..  trans-116.868.1176-64.2177.8-174.5-178.10110.3L70 Q73 M77 L393L70-K75 WeakPolarHBondContact O-CE 3.46Å; Q73-K75 PolarHBondContact O-N 2.94Å; Q73-K75 VanDerWaalsContact O-N 3.14Å; K75-M77 PolarHBondContact O-N 2.7Å; K75-L393 PolarHBondContact NZ-O 2.97Å
76E86Confident92.6Very high92 Ų9268.7 Ų68.743%0.4333%0.333SS..  trans-70127.1179-176174.1-178.200110.6S402 N404E76-S402 VanDerWaalsContact O-CB 3.26Å; E76-S402 WeakPolarHBondContact O-CB 3.38Å; E76-S402 PolarHBondContact O-OG 3.26Å; E76-N404 PolarHBondContact OE1-ND2 2.99Å; E76-N404 WeakPolarHBondContact OE2-CB 3.44Å; E76-N404 PolarHBondContact OE2-ND2 2.85Å
77M89.5Confident92.7Very high60 Ų6073 Ų7330%0.29636%0.356SS..  trans-84.4135.8169.7-67.1-178.8-75.900110.3K75 K79 F82K75-M77 PolarHBondContact O-N 2.7Å; M77-K79 PolarHBondContact O-N 3.25Å; M77-F82 HydrophobicContact CB-CD2 4.37Å; M77-F82 HydrophobicContact CG-CD2 4.28Å; M77-F82 HydrophobicContact CG-CE2 4.41Å; M77-F82 HydrophobicContact SD-CD2 3.68Å; M77-F82 HydrophobicContact SD-CE2 3.37Å; M77-F82 WeakPolarHBondContact SD-CE2 3.43Å; M77-F82 HydrophobicContact SD-CZ 4.04Å
78N94.8Very high92.9Very high28 Ų2874.4 Ų74.415%0.1536%0.361CS..  trans-77110168.2-176.1-17.5000110.5E80 T81 F82 L401N78-E80 PolarHBondContact O-N 3.06Å; N78-E80 WeakPolarHBondContact OD1-CB 3.33Å; N78-E80 PolarHBondContact OD1-N 2.86Å; N78-T81 WeakPolarHBondContact CB-OG1 3.24Å; N78-T81 PolarHBondContact O-N 2.87Å; N78-F82 VanDerWaalsContact O-CB 3.29Å; N78-F82 WeakPolarHBondContact O-CB 3.4Å; N78-F82 PolarHBondContact O-N 3.06Å; N78-L401 WeakPolarHBondContact CB-O 3.44Å; N78-L401 PolarHBondContact ND2-O 3.35Å
79K95.2Very high93.1Very high198 Ų19869.5 Ų69.586%0.86134%0.338SS*.THydrogen-bonded Turntrans-62.2-24.1-179.5-62.9-179.1-176.3173.60114.2M77M77-K79 PolarHBondContact O-N 3.25Å
80E95Very high93.5Very high150 Ų15065.6 Ų65.670%0.70132%0.321SS*.THydrogen-bonded Turntrans-78.5-30-179.8-59.5-167.9173.100112.6N78 I84N78-E80 PolarHBondContact O-N 3.06Å; N78-E80 WeakPolarHBondContact OD1-CB 3.33Å; N78-E80 PolarHBondContact OD1-N 2.86Å; E80-I84 WeakPolarHBondContact O-CG2 3.44Å
81T96.3Very high93.8Very high12 Ų1265.6 Ų65.67%0.07432%0.321CS..THydrogen-bonded Turntrans-106.8-14.1-177.758.60000113N78 G83 I84 F131 L401N78-T81 WeakPolarHBondContact CB-OG1 3.24Å; N78-T81 PolarHBondContact O-N 2.87Å; T81-G83 PolarHBondContact O-N 3.18Å; T81-I84 HydrophobicContact CG2-CD1 4.38Å; T81-I84 VanDerWaalsContact O-CG1 3.31Å; T81-I84 WeakPolarHBondContact O-CG1 3.42Å; T81-I84 WeakPolarHBondContact O-CG2 3.42Å; T81-I84 PolarHBondContact O-N 3.03Å; T81-F131 HydrophobicContact CG2-CZ 4.19Å; T81-L401 HydrophobicContact CG2-CB 4.49Å; T81-L401 HydrophobicContact CG2-CD1 4.11Å
82F97.1Very high94.2Very high71 Ų7162 Ų6231%0.31131%0.305SS..THydrogen-bonded Turntrans-61.3120.6177.7-171.1-92.5000111.7M77 N78 I84 H384 G387M77-F82 HydrophobicContact CB-CD2 4.37Å; M77-F82 HydrophobicContact CG-CD2 4.28Å; M77-F82 HydrophobicContact CG-CE2 4.41Å; M77-F82 HydrophobicContact SD-CD2 3.68Å; M77-F82 HydrophobicContact SD-CE2 3.37Å; M77-F82 WeakPolarHBondContact SD-CE2 3.43Å; M77-F82 HydrophobicContact SD-CZ 4.04Å; N78-F82 VanDerWaalsContact O-CB 3.29Å; N78-F82 WeakPolarHBondContact O-CB 3.4Å; N78-F82 PolarHBondContact O-N 3.06Å; F82-I84 VanDerWaalsContact C-N 3.34Å; F82-I84 PolarHBondContact O-N 3.02Å; F82-H384 CarbonylContact C-O 3.53Å; F82-H384 WeakPolarHBondContact CA-O 3.48Å; F82-H384 HydrophobicContact CD2-CB 3.93Å; F82-H384 WeakPolarHBondContact CD2-O 3.19Å; F82-H384 HydrophobicContact CE2-CB 4.39Å; F82-G387 VanDerWaalsContact CZ-O 3.27Å; F82-G387 WeakPolarHBondContact CZ-O 3.17Å
83G97.5Very high94.7Very high22 Ų2255.5 Ų55.523%0.22728%0.275CS..THydrogen-bonded Turntrans78.25.3176.600000116.3T81 A85 K86 H384 L385T81-G83 PolarHBondContact O-N 3.18Å; G83-A85 PolarHBondContact O-N 3.22Å; G83-K86 VanDerWaalsContact O-CB 3.24Å; G83-K86 WeakPolarHBondContact O-CB 3.28Å; G83-K86 PolarHBondContact O-N 3.45Å; G83-K86 VanDerWaalsContact O-N 3.12Å; G83-H384 PolarHBondContact N-O 3.4Å; G83-L385 CarbonylContact C-O 3.58Å; G83-L385 WeakPolarHBondContact CA-O 3.32Å; G83-L385 PolarHBondContact N-O 3.4Å
84I97.4Very high95.2Very high56 Ų5652.9 Ų52.929%0.28726%0.263SS..THydrogen-bonded Turntrans-65.8-21-179.968.6177.4000113.5E80 T81 F82 F131 L360 L385E80-I84 WeakPolarHBondContact O-CG2 3.44Å; T81-I84 HydrophobicContact CG2-CD1 4.38Å; T81-I84 VanDerWaalsContact O-CG1 3.31Å; T81-I84 WeakPolarHBondContact O-CG1 3.42Å; T81-I84 WeakPolarHBondContact O-CG2 3.42Å; T81-I84 PolarHBondContact O-N 3.03Å; F82-I84 VanDerWaalsContact C-N 3.34Å; F82-I84 PolarHBondContact O-N 3.02Å; I84-F131 HydrophobicContact CD1-CE2 3.85Å; I84-F131 HydrophobicContact CD1-CZ 4.04Å; I84-L360 HydrophobicContact CD1-CD2 3.72Å; I84-L360 HydrophobicContact CG1-CD2 3.78Å; I84-L385 HydrophobicContact CD1-CD2 3.61Å; I84-L385 HydrophobicContact CG1-CD2 3.68Å; I84-L385 PolarHBondContact N-O 2.9Å; I84-L385 VanDerWaalsContact N-O 3.12Å
85A98Very high96Very high0 Ų047.5 Ų47.50%023%0.227CC..THydrogen-bonded Turntrans-108.819.5177.200000112.3G83 D87 K88 M316 L360 L385G83-A85 PolarHBondContact O-N 3.22Å; A85-D87 PolarHBondContact O-N 3.28Å; A85-K88 HydrophobicContact CB-CD 4.19Å; A85-K88 WeakPolarHBondContact O-CB 3.32Å; A85-K88 PolarHBondContact O-N 3.34Å; A85-M316 HydrophobicContact CB-SD 4.11Å; A85-L360 HydrophobicContact CB-CD1 3.86Å; A85-L360 HydrophobicContact CB-CD2 4.36Å; A85-L385 WeakPolarHBondContact CA-O 3.49Å; A85-L385 HydrophobicContact CB-CB 4.25Å; A85-L385 WeakPolarHBondContact CB-O 3.24Å; A85-L385 PolarHBondContact N-O 2.92Å
86K97.9Very high96.7Very high135 Ų13546.1 Ų46.159%0.58722%0.221SC*.THydrogen-bonded Turntrans-53.4136.7178.5-177.2176.6177.4178.80111.3G83 K88G83-K86 VanDerWaalsContact O-CB 3.24Å; G83-K86 WeakPolarHBondContact O-CB 3.28Å; G83-K86 PolarHBondContact O-N 3.45Å; G83-K86 VanDerWaalsContact O-N 3.12Å; K86-K88 PolarHBondContact O-N 2.86Å; K86-K88 VanDerWaalsContact O-N 3.07Å
87D96.6Very high97.2Very high98 Ų9841.9 Ų41.952%0.52420%0.202SC..THydrogen-bonded Turntrans59.99.6179.1-51.8-37.1000115.8A85A85-D87 PolarHBondContact O-N 3.28Å
88K98.7Very high97.6Very high35 Ų3539.1 Ų39.115%0.15219%0.189CC..  trans-78.9150.3172.6-68.3-173.9-178.9-71.90111.1A85 K86 Y187 E313 N314 L360A85-K88 HydrophobicContact CB-CD 4.19Å; A85-K88 WeakPolarHBondContact O-CB 3.32Å; A85-K88 PolarHBondContact O-N 3.34Å; K86-K88 PolarHBondContact O-N 2.86Å; K86-K88 VanDerWaalsContact O-N 3.07Å; K88-Y187 WeakPolarHBondContact O-CE1 3.36Å; K88-Y187 PolarHBondContact O-OH 3.48Å; K88-E313 PolarHBondContact NZ-O 2.96Å; K88-N314 WeakPolarHBondContact CA-O 3.38Å; K88-L360 HydrophobicContact CD-CD1 3.35Å; K88-L360 VanDerWaalsContact CE-CD1 3.49Å
89N98.9Very high97.7Very high0 Ų038 Ų380%018%0.183CC..EExtended strand (participates in β ladder)trans-62.7154.1165.6-51.5-58.9000110Q250 P251 F252 N314 S315 M316N89-Q250 PolarHBondContact ND2-OE1 3.17Å; N89-Q250 WeakPolarHBondContact OD1-CB 3.34Å; N89-Q250 WeakPolarHBondContact OD1-CG 3.49Å; N89-P251 VanDerWaalsContact OD1-CA 3.29Å; N89-P251 WeakPolarHBondContact OD1-CA 3.31Å; N89-F252 CarbonylContact C-O 3.53Å; N89-F252 VanDerWaalsContact CA-O 3.31Å; N89-F252 WeakPolarHBondContact CA-O 3.42Å; N89-F252 HydrophobicContact CB-CD1 4.29Å; N89-F252 HydrophobicContact CB-CD2 3.84Å; N89-F252 HydrophobicContact CB-CE1 4.07Å; N89-F252 HydrophobicContact CB-CE2 3.59Å; N89-F252 HydrophobicContact CB-CG 4.16Å; N89-F252 HydrophobicContact CB-CZ 3.7Å; N89-F252 VanDerWaalsContact CG-CE1 3.49Å; N89-F252 VanDerWaalsContact OD1-CD1 3.24Å; N89-F252 WeakPolarHBondContact OD1-CD1 3.45Å; N89-F252 WeakPolarHBondContact OD1-CE1 3.19Å; N89-F252 PolarHBondContact OD1-N 2.63Å; N89-N314 PolarHBondContact N-O 2.92Å; N89-N314 PolarHBondContact ND2-O 3.07Å; N89-N314 VanDerWaalsContact ND2-O 3.16Å; N89-S315 PolarHBondContact ND2-OG 2.91Å; N89-S315 CarbonylContact O-C 3.55Å; N89-S315 WeakPolarHBondContact O-CA 3.39Å; N89-M316 PolarHBondContact O-N 2.79Å
90I98.9Very high97.8Very high0 Ų029.6 Ų29.60%015%0.146CC..EExtended strand (participates in β ladder)trans-117120.7173-58.2172.6000107.4Y92 F181 Y187 F252 Y253 A254 M316 L382 V386I90-Y92 HydrophobicContact CG2-CD2 4.46Å; I90-F181 HydrophobicContact CD1-CD1 3.99Å; I90-F181 HydrophobicContact CD1-CE1 3.31Å; I90-F181 HydrophobicContact CD1-CE2 3.94Å; I90-F181 HydrophobicContact CD1-CZ 3.3Å; I90-Y187 HydrophobicContact CD1-CE1 4.04Å; I90-Y187 HydrophobicContact CG1-CE1 4.13Å; I90-F252 PolarHBondContact N-O 3.36Å; I90-Y253 HydrophobicContact CB-CD2 3.82Å; I90-Y253 HydrophobicContact CD1-CD2 4.12Å; I90-Y253 HydrophobicContact CG2-CD2 3.71Å; I90-Y253 HydrophobicContact CG2-CE2 3.95Å; I90-Y253 WeakPolarHBondContact O-CA 3.15Å; I90-A254 PolarHBondContact O-N 3.42Å; I90-M316 WeakPolarHBondContact CA-O 3.4Å; I90-M316 HydrophobicContact CD1-CE 4.06Å; I90-M316 HydrophobicContact CG1-CE 3.77Å; I90-M316 HydrophobicContact CG2-CE 4.31Å; I90-L382 HydrophobicContact CG2-CD1 4.2Å; I90-V386 HydrophobicContact CD1-CG1 4.03Å
91I98.9Very high97.9Very high0 Ų024.5 Ų24.50%012%0.122CC..EExtended strand (participates in β ladder)trans-117.4105.9177.6-62.2171.3000108.4V93 F252 A254 F256 F302 M316 I317 V318I91-V93 HydrophobicContact CG2-CG2 4.11Å; I91-F252 HydrophobicContact CD1-CE2 4.14Å; I91-F252 HydrophobicContact CD1-CZ 4.32Å; I91-F252 HydrophobicContact CG1-CE2 3.71Å; I91-F252 HydrophobicContact CG1-CZ 4.38Å; I91-A254 CarbonylContact C-O 3.5Å; I91-A254 WeakPolarHBondContact CA-O 3.46Å; I91-F256 HydrophobicContact CG2-CD2 4Å; I91-F256 HydrophobicContact CG2-CE2 4.04Å; I91-F302 HydrophobicContact CG2-CE1 3.88Å; I91-F302 HydrophobicContact CG2-CZ 4.23Å; I91-M316 PolarHBondContact N-O 2.95Å; I91-I317 HydrophobicContact CB-CG1 4.23Å; I91-I317 HydrophobicContact CB-CG2 4.37Å; I91-I317 HydrophobicContact CD1-CG1 4.43Å; I91-I317 HydrophobicContact CG2-CG2 4.36Å; I91-I317 CarbonylContact O-C 3.54Å; I91-I317 WeakPolarHBondContact O-CA 3.4Å; I91-V318 PolarHBondContact O-N 2.78Å
92Y98.9Very high97.9Very high1 Ų124 Ų240%0.00412%0.119CC..EExtended strand (participates in β ladder)trans-80.7128.8167.6-91.8-65.8000110.8I90 L152 Y253 A254 F256 V318 Y320 V378 L382I90-Y92 HydrophobicContact CG2-CD2 4.46Å; Y92-L152 HydrophobicContact CD1-CD2 4.24Å; Y92-L152 HydrophobicContact CE1-CD2 3.6Å; Y92-Y253 AromaticContact CD2-CE2 3.6Å; Y92-Y253 HydrophobicContact CD2-CE2 3.6Å; Y92-Y253 AromaticContact CD2-CZ 3.74Å; Y92-Y253 WeakPolarHBondContact CD2-OH 3.2Å; Y92-Y253 AromaticContact CE2-CE2 3.56Å; Y92-Y253 HydrophobicContact CE2-CE2 3.56Å; Y92-Y253 AromaticContact CE2-CZ 3.79Å; Y92-Y253 WeakPolarHBondContact CE2-OH 3.28Å; Y92-A254 PolarHBondContact N-O 2.86Å; Y92-F256 PolarHBondContact O-N 3.34Å; Y92-V318 CarbonylContact C-O 3.49Å; Y92-V318 WeakPolarHBondContact CA-O 3.33Å; Y92-V318 HydrophobicContact CD1-CB 3.61Å; Y92-V318 HydrophobicContact CD1-CG1 3.73Å; Y92-V318 HydrophobicContact CE1-CB 3.62Å; Y92-V318 HydrophobicContact CE1-CG1 3.31Å; Y92-V318 HydrophobicContact CE1-CG2 4.39Å; Y92-V318 HydrophobicContact CG-CB 4.39Å; Y92-Y320 AromaticContact CD1-CD1 3.63Å; Y92-Y320 HydrophobicContact CD1-CD1 3.63Å; Y92-Y320 AromaticContact CD1-CE1 3.72Å; Y92-Y320 HydrophobicContact CD1-CE1 3.72Å; Y92-Y320 HydrophobicContact CE1-CD1 4.02Å; Y92-Y320 HydrophobicContact CE1-CE1 4.3Å; Y92-Y320 HydrophobicContact CG-CE1 4.36Å; Y92-V378 HydrophobicContact CE1-CG1 4.26Å; Y92-V378 WeakPolarHBondContact OH-CG1 3.44Å; Y92-L382 HydrophobicContact CE1-CD1 4.37Å; Y92-L382 HydrophobicContact CE2-CD1 3.69Å; Y92-L382 VanDerWaalsContact CZ-CD1 3.47Å; Y92-L382 WeakPolarHBondContact OH-CD1 3.2Å
93V98.8Very high98Very high0 Ų021.3 Ų21.30%011%0.108CC..EExtended strand (participates in β ladder)trans-117.1106.9171-178.30000107.9I91 F238 I299 F302 I317 V318 L319 Y320I91-V93 HydrophobicContact CG2-CG2 4.11Å; V93-F238 HydrophobicContact CG1-CZ 4.09Å; V93-I299 HydrophobicContact CG1-CD1 3.79Å; V93-I299 HydrophobicContact CG1-CG1 3.83Å; V93-I299 HydrophobicContact CG1-CG2 4.37Å; V93-F302 HydrophobicContact CG2-CE1 4.33Å; V93-I317 HydrophobicContact CG2-CG2 4.01Å; V93-V318 PolarHBondContact N-O 2.67Å; V93-L319 HydrophobicContact CB-CG 4.16Å; V93-L319 WeakPolarHBondContact O-CA 3.13Å; V93-Y320 PolarHBondContact O-N 2.89Å
94H98.7Very high98Very high1 Ų123.9 Ų23.91%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-77.2128.7179.5174.593.1000111.1E96 T145 F256 L257 A258 Y320 D322H94-E96 PolarHBondContact CD2-N 2.89Å; H94-E96 WeakPolarHBondContact NE2-CA 3.26Å; H94-E96 IonicContact NE2-OE2 3.44Å; H94-T145 VanDerWaalsContact CE1-CG2 3.43Å; H94-T145 WeakPolarHBondContact CE1-CG2 3.43Å; H94-F256 VanDerWaalsContact CB-O 3.22Å; H94-F256 WeakPolarHBondContact CB-O 3.2Å; H94-F256 PolarHBondContact N-O 2.94Å; H94-L257 HydrophobicContact CB-CD2 3.95Å; H94-A258 PolarHBondContact CD2-O 3.15Å; H94-Y320 HydrophobicContact CB-CE1 3.94Å; H94-Y320 AromaticContact ND1-CE2 3.58Å; H94-Y320 AromaticContact ND1-CZ 3.37Å; H94-Y320 PolarHBondContact ND1-OH 3.31Å; H94-Y320 VanDerWaalsContact ND1-OH 3.08Å; H94-D322 WeakPolarHBondContact CE1-CB 3.38Å; H94-D322 IonicContact CE1-OD2 3.66Å; H94-D322 PolarHBondContact CE1-OD2 3.39Å; H94-D322 IonicContact NE2-OD2 2.95Å
95L98.6Very high98Very high2 Ų223.4 Ų23.41%0.0111%0.111CC..EExtended strand (participates in β ladder)trans-103.287.4174.6-53.2178000108.7S97 A98 I299 L319 Y320 G321 P355L95-S97 PolarHBondContact O-N 2.94Å; L95-A98 HydrophobicContact CB-CB 3.66Å; L95-A98 PolarHBondContact O-N 2.92Å; L95-I299 HydrophobicContact CD2-CD1 3.29Å; L95-L319 HydrophobicContact CD1-CB 4.23Å; L95-Y320 WeakPolarHBondContact CB-O 3.45Å; L95-Y320 PolarHBondContact N-O 2.93Å; L95-G321 WeakPolarHBondContact O-CA 3.31Å; L95-P355 HydrophobicContact CD1-CB 4.38Å; L95-P355 HydrophobicContact CD1-CG 3.77Å
96E98.2Very high97.9Very high7 Ų728 Ų283%0.03313%0.131CC..THydrogen-bonded Turntrans-54.9127.7-178.7173.359.8-115.800110.9H94 A98 T145 N261 H262 H323H94-E96 PolarHBondContact CD2-N 2.89Å; H94-E96 WeakPolarHBondContact NE2-CA 3.26Å; H94-E96 IonicContact NE2-OE2 3.44Å; E96-A98 PolarHBondContact O-N 3.42Å; E96-T145 PolarHBondContact OE2-OG1 3.5Å; E96-N261 WeakPolarHBondContact O-CB 3.28Å; E96-N261 PolarHBondContact O-ND2 3.35Å; E96-H262 HydrophobicContact CG-CB 3.89Å; E96-H262 IonicContact OE1-CD2 2.7Å; E96-H262 IonicContact OE2-CD2 3.13Å; E96-H323 IonicContact OE1-CE1 2.97Å; E96-H323 IonicContact OE1-NE2 3.92Å
97S97.1Very high97.7Very high4 Ų422 Ų223%0.02811%0.106CC..THydrogen-bonded Turntrans53.726.7174.8-68.60000114.5L95 N261 Y288 D322 H323 G325L95-S97 PolarHBondContact O-N 2.94Å; S97-N261 VanDerWaalsContact CB-O 3.3Å; S97-N261 WeakPolarHBondContact CB-O 3.4Å; S97-Y288 WeakPolarHBondContact O-CE2 3.48Å; S97-Y288 PolarHBondContact O-OH 3.3Å; S97-D322 PolarHBondContact N-OD1 2.86Å; S97-H323 CarbonylContact C-O 3.58Å; S97-H323 WeakPolarHBondContact CA-O 3.48Å; S97-H323 PolarHBondContact OG-CE1 3.38Å; S97-G325 WeakPolarHBondContact O-CA 3.48Å; S97-G325 PolarHBondContact O-N 2.96Å
98A97.8Very high97.5Very high2 Ų223.6 Ų23.62%0.01711%0.108CC..  trans-87.8121.5-179.400000111.8L95 E96 L102 P355L95-A98 HydrophobicContact CB-CB 3.66Å; L95-A98 PolarHBondContact O-N 2.92Å; E96-A98 PolarHBondContact O-N 3.42Å; A98-L102 HydrophobicContact CB-CD1 4.22Å; A98-P355 HydrophobicContact CB-CG 4.22Å; A98-P355 VanDerWaalsContact O-CD 3.32Å; A98-P355 WeakPolarHBondContact O-CD 3.42Å
99H97.2Very high97.1Very high3 Ų323.2 Ų23.21%0.01411%0.107CC..  trans-82.7155.6167.5-70.1-105.1000111.9F101 L102 Y288 Y324 G325 I326 A351H99-F101 HydrophobicContact CB-CD1 3.22Å; H99-F101 HydrophobicContact CB-CE1 3.46Å; H99-F101 VanDerWaalsContact CB-CE1 3.46Å; H99-F101 HydrophobicContact CB-CG 4.26Å; H99-F101 AromaticContact CD2-CE1 3.8Å; H99-F101 AromaticContact CG-CD1 3.73Å; H99-F101 AromaticContact CG-CE1 3.6Å; H99-F101 PolarHBondContact O-N 2.93Å; H99-L102 WeakPolarHBondContact O-CB 3.43Å; H99-L102 PolarHBondContact O-N 3.24Å; H99-Y288 PolarHBondContact CD2-OH 3.38Å; H99-Y288 PolarHBondContact N-OH 3.38Å; H99-Y324 WeakPolarHBondContact CE1-CB 3.37Å; H99-Y324 WeakPolarHBondContact NE2-CA 3.31Å; H99-Y324 WeakPolarHBondContact NE2-CB 3.33Å; H99-G325 PolarHBondContact CD2-N 3.26Å; H99-G325 VanDerWaalsContact CD2-N 3.29Å; H99-G325 PolarHBondContact NE2-N 2.89Å; H99-I326 PolarHBondContact NE2-N 3.34Å; H99-A351 PolarHBondContact CE1-O 2.86Å; H99-A351 PolarHBondContact ND1-O 3.35Å
100Q97.9Very high96.6Very high22 Ų2231 Ų3110%0.10314%0.144CC..G310 helixtrans-58.9-31.9172.4177.15829.600112.7L102 I103 K353Q100-L102 PolarHBondContact O-N 3.2Å; Q100-I103 WeakPolarHBondContact O-CB 3.23Å; Q100-I103 WeakPolarHBondContact O-CG1 3.32Å; Q100-I103 PolarHBondContact O-N 2.64Å; Q100-K353 HydrophobicContact CB-CB 3.52Å; Q100-K353 HydrophobicContact CG-CB 4.17Å; Q100-K353 PolarHBondContact N-O 3.41Å
101F96.1Very high96.2Very high43 Ų4337 Ų3719%0.18918%0.176CC..G310 helixtrans-63.7-15.3-178.285.4-97.3000113.6H99 I103 Y105 Y288 F289 I326 F338H99-F101 HydrophobicContact CB-CD1 3.22Å; H99-F101 HydrophobicContact CB-CE1 3.46Å; H99-F101 VanDerWaalsContact CB-CE1 3.46Å; H99-F101 HydrophobicContact CB-CG 4.26Å; H99-F101 AromaticContact CD2-CE1 3.8Å; H99-F101 AromaticContact CG-CD1 3.73Å; H99-F101 AromaticContact CG-CE1 3.6Å; H99-F101 PolarHBondContact O-N 2.93Å; F101-I103 PolarHBondContact O-N 2.82Å; F101-Y105 AromaticContact CD2-CD2 3.8Å; F101-Y105 HydrophobicContact CD2-CD2 3.8Å; F101-Y105 HydrophobicContact CD2-CE2 4.08Å; F101-Y105 HydrophobicContact CD2-CG 4.49Å; F101-Y105 HydrophobicContact CE2-CD2 4.16Å; F101-Y105 HydrophobicContact CE2-CE2 4.19Å; F101-Y105 WeakPolarHBondContact O-CB 3.44Å; F101-Y288 HydrophobicContact CE1-CE1 4.27Å; F101-Y288 HydrophobicContact CE2-CE1 4.5Å; F101-Y288 AromaticContact CZ-CE1 3.66Å; F101-Y288 HydrophobicContact CZ-CE1 3.66Å; F101-F289 AromaticContact CE2-CE1 3.96Å; F101-F289 HydrophobicContact CE2-CE1 3.96Å; F101-F289 HydrophobicContact CE2-CZ 4.21Å; F101-F289 HydrophobicContact CZ-CE1 4.47Å; F101-I326 HydrophobicContact CE1-CD1 4.47Å; F101-I326 HydrophobicContact CZ-CD1 4.1Å; F101-F338 HydrophobicContact CB-CD1 4.47Å; F101-F338 AromaticContact CD1-CD1 3.7Å; F101-F338 HydrophobicContact CD1-CD1 3.7Å; F101-F338 AromaticContact CD1-CE1 3.29Å; F101-F338 HydrophobicContact CD1-CE1 3.29Å; F101-F338 AromaticContact CD1-CZ 4Å; F101-F338 HydrophobicContact CD1-CZ 4Å; F101-F338 HydrophobicContact CE1-CD1 4.09Å; F101-F338 AromaticContact CE1-CE1 3.43Å; F101-F338 HydrophobicContact CE1-CE1 3.43Å; F101-F338 VanDerWaalsContact CE1-CE1 3.43Å; F101-F338 HydrophobicContact CE1-CE2 4.41Å; F101-F338 AromaticContact CE1-CZ 3.61Å; F101-F338 HydrophobicContact CE1-CZ 3.61Å; F101-F338 HydrophobicContact CG-CD1 4.06Å; F101-F338 HydrophobicContact CG-CE1 4.12Å; F101-F338 HydrophobicContact CZ-CE1 4.31Å; F101-F338 HydrophobicContact CZ-CZ 4.28Å
102L97.2Very high95.9Very high1 Ų139.3 Ų39.31%0.00520%0.2CC..G310 helixtrans-67.9-25.6173.8-75-179.9000112.7A98 H99 Q100 D104 Y105 V117 M118 Y288 F289 A292A98-L102 HydrophobicContact CB-CD1 4.22Å; H99-L102 WeakPolarHBondContact O-CB 3.43Å; H99-L102 PolarHBondContact O-N 3.24Å; Q100-L102 PolarHBondContact O-N 3.2Å; L102-D104 PolarHBondContact O-N 2.8Å; L102-Y105 WeakPolarHBondContact O-CB 3.3Å; L102-Y105 PolarHBondContact O-N 3.01Å; L102-Y105 VanDerWaalsContact O-N 3.14Å; L102-V117 HydrophobicContact CD2-CG1 4.12Å; L102-M118 HydrophobicContact CB-SD 3.9Å; L102-M118 HydrophobicContact CD1-SD 3.89Å; L102-Y288 HydrophobicContact CD1-CE1 4.16Å; L102-Y288 VanDerWaalsContact CD1-OH 3.24Å; L102-Y288 WeakPolarHBondContact CD1-OH 3.32Å; L102-Y288 HydrophobicContact CD2-CD1 4.48Å; L102-Y288 HydrophobicContact CD2-CE1 3.67Å; L102-Y288 HydrophobicContact CG-CE1 4.1Å; L102-F289 HydrophobicContact CD2-CD1 3.95Å; L102-F289 HydrophobicContact CD2-CE1 3.98Å; L102-A292 HydrophobicContact CD1-CB 3.98Å
103I98.2Very high95.6Very high16 Ų1643 Ų438%0.08222%0.222CC..THydrogen-bonded Turntrans-62.9127.2174.9-57.9-57.7000108.5Q100 F101 Y105 V121 N122 Y125 P355Q100-I103 WeakPolarHBondContact O-CB 3.23Å; Q100-I103 WeakPolarHBondContact O-CG1 3.32Å; Q100-I103 PolarHBondContact O-N 2.64Å; F101-I103 PolarHBondContact O-N 2.82Å; I103-Y105 PolarHBondContact O-N 3.25Å; I103-Y105 VanDerWaalsContact O-N 3.09Å; I103-V121 HydrophobicContact CD1-CG1 3.75Å; I103-N122 WeakPolarHBondContact CA-OD1 3.39Å; I103-Y125 HydrophobicContact CD1-CD2 4.36Å; I103-Y125 HydrophobicContact CG1-CD2 4.31Å; I103-Y125 HydrophobicContact CG2-CD1 3.63Å; I103-Y125 HydrophobicContact CG2-CD2 3.95Å; I103-Y125 HydrophobicContact CG2-CE1 3.84Å; I103-Y125 HydrophobicContact CG2-CE2 4.17Å; I103-Y125 HydrophobicContact CG2-CG 3.69Å; I103-P355 HydrophobicContact CD1-CB 4.15Å; I103-P355 HydrophobicContact CG1-CB 4.25Å
104D98Very high95.5Very high75 Ų7547.8 Ų47.840%0.40124%0.244SC..THydrogen-bonded Turntrans59.510.8-175.1-57.1-37.4000115.5L102 K106 N122 H126L102-D104 PolarHBondContact O-N 2.8Å; D104-K106 PolarHBondContact O-N 3.39Å; D104-N122 WeakPolarHBondContact CA-ND2 3.49Å; D104-N122 PolarHBondContact N-ND2 3.06Å; D104-N122 PolarHBondContact N-OD1 3Å; D104-H126 IonicContact OD1-CD2 3.84Å; D104-H126 IonicContact OD1-NE2 3.39Å; D104-H126 PolarHBondContact OD1-NE2 2.93Å; D104-H126 IonicContact OD2-CE1 3.7Å; D104-H126 PolarHBondContact OD2-CE1 3.2Å; D104-H126 VanDerWaalsContact OD2-CE1 3.28Å; D104-H126 IonicContact OD2-NE2 3.89Å; D104-H126 PolarHBondContact OD2-NE2 2.63Å
105Y97.2Very high95.3Very high47 Ų4750.6 Ų50.618%0.18426%0.257CS..  trans-68.2132.6178.5-162.8-91.1000111.5F101 L102 I103 L107 E116 V117 F289 L337F101-Y105 AromaticContact CD2-CD2 3.8Å; F101-Y105 HydrophobicContact CD2-CD2 3.8Å; F101-Y105 HydrophobicContact CD2-CE2 4.08Å; F101-Y105 HydrophobicContact CD2-CG 4.49Å; F101-Y105 HydrophobicContact CE2-CD2 4.16Å; F101-Y105 HydrophobicContact CE2-CE2 4.19Å; F101-Y105 WeakPolarHBondContact O-CB 3.44Å; L102-Y105 WeakPolarHBondContact O-CB 3.3Å; L102-Y105 PolarHBondContact O-N 3.01Å; L102-Y105 VanDerWaalsContact O-N 3.14Å; I103-Y105 PolarHBondContact O-N 3.25Å; I103-Y105 VanDerWaalsContact O-N 3.09Å; Y105-L107 HydrophobicContact CE1-CB 4.3Å; Y105-L107 HydrophobicContact CE1-CD1 4.49Å; Y105-E116 WeakPolarHBondContact O-CA 3.47Å; Y105-V117 HydrophobicContact CD1-CG2 3.66Å; Y105-V117 HydrophobicContact CG-CG2 4.48Å; Y105-V117 PolarHBondContact O-N 3.09Å; Y105-F289 HydrophobicContact CD1-CD1 4.06Å; Y105-F289 AromaticContact CD1-CE1 3.64Å; Y105-F289 HydrophobicContact CD1-CE1 3.64Å; Y105-F289 HydrophobicContact CD1-CZ 4.5Å; Y105-F289 HydrophobicContact CE1-CD1 4.04Å; Y105-F289 AromaticContact CE1-CE1 3.39Å; Y105-F289 HydrophobicContact CE1-CE1 3.39Å; Y105-F289 AromaticContact CE1-CZ 3.82Å; Y105-F289 HydrophobicContact CE1-CZ 3.82Å; Y105-F289 HydrophobicContact CG-CE1 4.33Å; Y105-F289 AromaticContact CZ-CE1 3.93Å; Y105-L337 WeakPolarHBondContact CE2-O 3.03Å; Y105-L337 PolarHBondContact OH-O 2.86Å; Y105-L337 VanDerWaalsContact OH-O 3.11Å
106K96.1Very high95.2Very high97 Ų9754.4 Ų54.442%0.42228%0.275SS..EExtended strand (participates in β ladder)trans-116.9118.2174.4-65.9-176.8-176.7-173.10110D104 E114 H115 E116D104-K106 PolarHBondContact O-N 3.39Å; K106-E114 HydrophobicContact CB-CB 4.19Å; K106-E114 HydrophobicContact CB-CG 4.44Å; K106-E114 HydrophobicContact CD-CB 4.27Å; K106-H115 CarbonylContact C-O 3.59Å; K106-H115 WeakPolarHBondContact CA-O 3.23Å; K106-E116 HydrophobicContact CD-CG 4.21Å; K106-E116 WeakPolarHBondContact CE-OE1 3.44Å; K106-E116 HydrophobicContact CG-CG 3.78Å; K106-E116 IonicContact NZ-OE1 3Å
107L94.3Very high95.2Very high9 Ų954.1 Ų54.15%0.04727%0.274CS..EExtended strand (participates in β ladder)trans-88.1130.4173.9-178.362.4000109.5Y105 H115 V117 F275 P276 V278 F289Y105-L107 HydrophobicContact CE1-CB 4.3Å; Y105-L107 HydrophobicContact CE1-CD1 4.49Å; L107-H115 PolarHBondContact N-O 2.88Å; L107-H115 PolarHBondContact O-N 2.76Å; L107-V117 HydrophobicContact CB-CG2 4.15Å; L107-F275 HydrophobicContact CB-CE1 4.42Å; L107-F275 HydrophobicContact CD2-CE1 3.93Å; L107-P276 HydrophobicContact CD2-CB 3.94Å; L107-P276 WeakPolarHBondContact CD2-O 3.39Å; L107-P276 HydrophobicContact CG-CB 4.45Å; L107-V278 HydrophobicContact CD1-CG1 3.43Å; L107-V278 VanDerWaalsContact CD1-CG1 3.43Å; L107-V278 HydrophobicContact CD2-CG1 4.36Å; L107-F289 HydrophobicContact CD2-CB 3.94Å; L107-F289 HydrophobicContact CD2-CD2 4.29Å; L107-F289 HydrophobicContact CD2-CG 4.19Å
108K92Very high95.3Very high131 Ų13154.1 Ų54.157%0.5727%0.274SS*.EExtended strand (participates in β ladder)trans-86.3129.2172.1-72.2177.6180175.80109.9V113 E114K108-V113 WeakPolarHBondContact CA-O 3.36Å; K108-E114 HydrophobicContact CD-CG 4.32Å; K108-E114 WeakPolarHBondContact CE-OE1 3.18Å; K108-E114 HydrophobicContact CG-CG 3.66Å; K108-E114 IonicContact NZ-OE1 2.85Å; K108-E114 PolarHBondContact NZ-OE1 3Å
109D90.9Very high95.3Very high27 Ų2756.6 Ų56.614%0.14429%0.29CS..  trans-79.7179170.97216.8000112.3N111 G112 V113 H115 P276D109-N111 PolarHBondContact O-N 2.73Å; D109-N111 VanDerWaalsContact O-N 3.12Å; D109-N111 WeakPolarHBondContact OD1-CA 3.24Å; D109-N111 WeakPolarHBondContact OD1-CB 3.43Å; D109-N111 PolarHBondContact OD1-N 2.65Å; D109-G112 PolarHBondContact O-N 3.13Å; D109-G112 PolarHBondContact OD1-N 3.34Å; D109-G112 VanDerWaalsContact OD1-N 3.09Å; D109-V113 PolarHBondContact N-O 2.73Å; D109-V113 PolarHBondContact OD1-N 2.77Å; D109-V113 WeakPolarHBondContact OD2-CB 3.47Å; D109-H115 IonicContact OD2-CD2 2.72Å; D109-H115 IonicContact OD2-CE1 2.72Å; D109-H115 IonicContact OD2-NE2 2.86Å; D109-H115 PolarHBondContact OD2-NE2 3.42Å; D109-P276 HydrophobicContact CB-CB 3.95Å; D109-P276 HydrophobicContact CB-CG 3.73Å
110E87.6Confident95.4Very high164 Ų16457.6 Ų57.677%0.76629%0.294SS*.THydrogen-bonded Turntrans-61.8-18-179.766.4-84.8-170.900114.4
111N91.2Very high95.4Very high125 Ų12556.5 Ų56.567%0.66829%0.289SS*.THydrogen-bonded Turntrans-972.8176.9-57.5-61.9000112.2D109 V113D109-N111 PolarHBondContact O-N 2.73Å; D109-N111 VanDerWaalsContact O-N 3.12Å; D109-N111 WeakPolarHBondContact OD1-CA 3.24Å; D109-N111 WeakPolarHBondContact OD1-CB 3.43Å; D109-N111 PolarHBondContact OD1-N 2.65Å; N111-V113 VanDerWaalsContact C-N 3.32Å; N111-V113 HydrophobicContact CB-CG2 4.42Å
112G91.1Very high95.5Very high49 Ų4954.7 Ų54.751%0.50528%0.281SS..SBendtrans77.712.5-178.400000114.3D109D109-G112 PolarHBondContact O-N 3.13Å; D109-G112 PolarHBondContact OD1-N 3.34Å; D109-G112 VanDerWaalsContact OD1-N 3.09Å
113V94Very high95.6Very high77 Ų7757.8 Ų57.847%0.46730%0.302SS..  trans-79.1131.1175.5-177.60000108.9K108 D109 N111 H115K108-V113 WeakPolarHBondContact CA-O 3.36Å; D109-V113 PolarHBondContact N-O 2.73Å; D109-V113 PolarHBondContact OD1-N 2.77Å; D109-V113 WeakPolarHBondContact OD2-CB 3.47Å; N111-V113 VanDerWaalsContact C-N 3.32Å; N111-V113 HydrophobicContact CB-CG2 4.42Å; V113-H115 PolarHBondContact O-CD2 2.67Å
114E95Very high95.6Very high101 Ų10157.4 Ų57.447%0.47230%0.301SS..EExtended strand (participates in β ladder)trans-85.2129.6177.6-74.1-178.617700111.4K106 K108K106-E114 HydrophobicContact CB-CB 4.19Å; K106-E114 HydrophobicContact CB-CG 4.44Å; K106-E114 HydrophobicContact CD-CB 4.27Å; K108-E114 HydrophobicContact CD-CG 4.32Å; K108-E114 WeakPolarHBondContact CE-OE1 3.18Å; K108-E114 HydrophobicContact CG-CG 3.66Å; K108-E114 IonicContact NZ-OE1 2.85Å; K108-E114 PolarHBondContact NZ-OE1 3Å
115H95.6Very high95.6Very high60 Ų6054.3 Ų54.328%0.27828%0.284SS..EExtended strand (participates in β ladder)trans-120.6119.9177.4-58.3-95.2000109.6K106 L107 D109 V113 V117 F275K106-H115 CarbonylContact C-O 3.59Å; K106-H115 WeakPolarHBondContact CA-O 3.23Å; L107-H115 PolarHBondContact N-O 2.88Å; L107-H115 PolarHBondContact O-N 2.76Å; D109-H115 IonicContact OD2-CD2 2.72Å; D109-H115 IonicContact OD2-CE1 2.72Å; D109-H115 IonicContact OD2-NE2 2.86Å; D109-H115 PolarHBondContact OD2-NE2 3.42Å; V113-H115 PolarHBondContact O-CD2 2.67Å; H115-V117 PolarHBondContact O-N 3.03Å; H115-F275 HydrophobicContact CB-CE2 3.84Å; H115-F275 HydrophobicContact CB-CZ 3.95Å
116E97.1Very high95.7Very high83 Ų8356.9 Ų56.939%0.38830%0.297SS..EExtended strand (participates in β ladder)trans-63.3129.4171.7-75.5-179.6-154.100110.2Y105 K106 P119Y105-E116 WeakPolarHBondContact O-CA 3.47Å; K106-E116 HydrophobicContact CD-CG 4.21Å; K106-E116 WeakPolarHBondContact CE-OE1 3.44Å; K106-E116 HydrophobicContact CG-CG 3.78Å; K106-E116 IonicContact NZ-OE1 3Å; E116-P119 HydrophobicContact CB-CB 4.16Å; E116-P119 WeakPolarHBondContact O-CD 3.3Å
117V97.4Very high95.8Very high0 Ų053.9 Ų53.90%029%0.288CS..SBendtrans-75.1-44.7-175.6179.10000111.2L102 Y105 L107 H115 P119 F275 F289 A292 N293L102-V117 HydrophobicContact CD2-CG1 4.12Å; Y105-V117 HydrophobicContact CD1-CG2 3.66Å; Y105-V117 HydrophobicContact CG-CG2 4.48Å; Y105-V117 PolarHBondContact O-N 3.09Å; L107-V117 HydrophobicContact CB-CG2 4.15Å; H115-V117 PolarHBondContact O-N 3.03Å; V117-P119 VanDerWaalsContact C-CD 3.44Å; V117-P119 WeakPolarHBondContact O-CD 3.39Å; V117-F275 HydrophobicContact CB-CZ 4.35Å; V117-F275 HydrophobicContact CG2-CE1 4.18Å; V117-F275 HydrophobicContact CG2-CZ 3.93Å; V117-F289 HydrophobicContact CG1-CB 4.25Å; V117-F289 HydrophobicContact CG1-CD1 4.14Å; V117-F289 HydrophobicContact CG2-CB 4.29Å; V117-F289 HydrophobicContact CG2-CD1 3.77Å; V117-F289 HydrophobicContact CG2-CG 4.43Å; V117-A292 HydrophobicContact CG1-CB 3.83Å; V117-N293 WeakPolarHBondContact O-CA 3.37Å; V117-N293 VanDerWaalsContact O-CB 3.31Å; V117-N293 WeakPolarHBondContact O-CB 3.31Å; V117-N293 PolarHBondContact O-ND2 3.37Å
118M98.4Very high95.9Very high5 Ų560.1 Ų60.13%0.02532%0.317CS..SBendtrans-125.459.8-177.8-57.2-169.175.800112.5L102 F120 V121 N122 A292 D296L102-M118 HydrophobicContact CB-SD 3.9Å; L102-M118 HydrophobicContact CD1-SD 3.89Å; M118-F120 VanDerWaalsContact C-N 3.26Å; M118-F120 PolarHBondContact O-N 3.22Å; M118-V121 HydrophobicContact CB-CB 4.15Å; M118-V121 HydrophobicContact CE-CB 4.12Å; M118-V121 HydrophobicContact CE-CG1 4.45Å; M118-V121 HydrophobicContact CE-CG2 3.76Å; M118-V121 PolarHBondContact O-N 2.86Å; M118-N122 WeakPolarHBondContact O-CB 3.3Å; M118-N122 PolarHBondContact O-N 3.01Å; M118-N122 PolarHBondContact O-ND2 3.12Å; M118-N122 PolarHBondContact O-OD1 3.46Å; M118-A292 HydrophobicContact CG-CB 4.47Å; M118-D296 VanDerWaalsContact C-OD1 3.23Å; M118-D296 VanDerWaalsContact CA-CG 3.45Å; M118-D296 WeakPolarHBondContact CA-OD1 3.29Å; M118-D296 HydrophobicContact CB-CB 4.13Å; M118-D296 HydrophobicContact CE-CB 4.2Å; M118-D296 HydrophobicContact CG-CB 4.26Å
119P98.3Very high96.2Very high54 Ų5455 Ų5535%0.35130%0.298SS..Hα-helixtrans-59.5-33.6-172.324.9-35.4000113.5E116 V117 S123 D296E116-P119 HydrophobicContact CB-CB 4.16Å; E116-P119 WeakPolarHBondContact O-CD 3.3Å; V117-P119 VanDerWaalsContact C-CD 3.44Å; V117-P119 WeakPolarHBondContact O-CD 3.39Å; P119-S123 PolarHBondContact O-N 3.3Å; P119-S123 VanDerWaalsContact O-N 3.11Å; P119-D296 WeakPolarHBondContact CD-OD2 3.34Å
120F98.8Very high96.6Very high23 Ų2353.7 Ų53.710%0.10129%0.291CS..Hα-helixtrans-72.9-47.4178.5-177.9-106.4000112M118 N122 S123 L124 D296 I299 R300 F303M118-F120 VanDerWaalsContact C-N 3.26Å; M118-F120 PolarHBondContact O-N 3.22Å; F120-N122 VanDerWaalsContact C-N 3.29Å; F120-N122 PolarHBondContact O-N 3.25Å; F120-S123 WeakPolarHBondContact O-CB 3.34Å; F120-S123 PolarHBondContact O-N 3.21Å; F120-S123 VanDerWaalsContact O-N 3.08Å; F120-S123 PolarHBondContact O-OG 3.11Å; F120-L124 HydrophobicContact CD1-CD1 4.31Å; F120-L124 HydrophobicContact CE1-CD1 3.68Å; F120-L124 HydrophobicContact CE1-CG 4.18Å; F120-L124 HydrophobicContact CZ-CD1 4.11Å; F120-L124 HydrophobicContact CZ-CD2 4.25Å; F120-L124 HydrophobicContact CZ-CG 4.23Å; F120-L124 PolarHBondContact O-N 3.39Å; F120-D296 WeakPolarHBondContact CB-OD1 3.3Å; F120-D296 WeakPolarHBondContact CB-OD2 3.43Å; F120-D296 PolarHBondContact N-OD1 2.79Å; F120-D296 PolarHBondContact N-OD2 3Å; F120-I299 HydrophobicContact CD1-CB 4.5Å; F120-I299 HydrophobicContact CD1-CG2 3.97Å; F120-I299 HydrophobicContact CE1-CG2 3.9Å; F120-R300 HydrophobicContact CB-CB 3.88Å; F120-R300 HydrophobicContact CB-CG 4.3Å; F120-R300 HydrophobicContact CD1-CB 3.85Å; F120-R300 HydrophobicContact CD1-CG 4.48Å; F120-R300 HydrophobicContact CD2-CB 3.85Å; F120-R300 HydrophobicContact CD2-CG 3.58Å; F120-R300 HydrophobicContact CE1-CB 4.4Å; F120-R300 HydrophobicContact CE2-CB 4.39Å; F120-R300 HydrophobicContact CE2-CG 4.01Å; F120-R300 HydrophobicContact CG-CB 3.54Å; F120-R300 HydrophobicContact CG-CG 3.84Å; F120-F303 HydrophobicContact CE1-CB 3.8Å; F120-F303 HydrophobicContact CE1-CD1 4.01Å; F120-F303 AromaticContact CE1-CD2 3.59Å; F120-F303 HydrophobicContact CE1-CD2 3.59Å; F120-F303 HydrophobicContact CE1-CE1 4.44Å; F120-F303 HydrophobicContact CE1-CE2 4.06Å; F120-F303 AromaticContact CE1-CG 3.54Å; F120-F303 HydrophobicContact CE1-CG 3.54Å; F120-F303 HydrophobicContact CE1-CZ 4.45Å; F120-F303 HydrophobicContact CE2-CB 4.32Å; F120-F303 HydrophobicContact CZ-CB 3.37Å; F120-F303 AromaticContact CZ-CD1 3.54Å; F120-F303 HydrophobicContact CZ-CD1 3.54Å; F120-F303 AromaticContact CZ-CD2 3.93Å; F120-F303 HydrophobicContact CZ-CD2 3.93Å; F120-F303 HydrophobicContact CZ-CE1 4.22Å; F120-F303 AromaticContact CZ-CG 3.34Å; F120-F303 HydrophobicContact CZ-CG 3.34Å
121V98.8Very high97.1Very high0 Ų046.6 Ų46.60%026%0.257CS..Hα-helixtrans-62.1-38.3175.6172.70000110.9I103 M118 S123 L124 Y125 D296 I299 L319 I357I103-V121 HydrophobicContact CD1-CG1 3.75Å; M118-V121 HydrophobicContact CB-CB 4.15Å; M118-V121 HydrophobicContact CE-CB 4.12Å; M118-V121 HydrophobicContact CE-CG1 4.45Å; M118-V121 HydrophobicContact CE-CG2 3.76Å; M118-V121 PolarHBondContact O-N 2.86Å; V121-S123 VanDerWaalsContact C-N 3.3Å; V121-S123 PolarHBondContact O-N 3.27Å; V121-L124 PolarHBondContact O-N 3.06Å; V121-L124 VanDerWaalsContact O-N 3.15Å; V121-Y125 WeakPolarHBondContact O-CB 3.28Å; V121-Y125 PolarHBondContact O-N 3.39Å; V121-D296 WeakPolarHBondContact CG2-OD1 3.32Å; V121-D296 PolarHBondContact N-OD1 3.02Å; V121-I299 HydrophobicContact CG2-CD1 4.43Å; V121-L319 HydrophobicContact CG2-CD2 4.01Å; V121-I357 HydrophobicContact CG1-CD1 3.64Å
122N98.8Very high97.4Very high5 Ų540.6 Ų40.63%0.02723%0.226CC..Hα-helixtrans-57.3-43.9171.7-66.2-12.4000111.2I103 D104 M118 F120 L124 Y125 H126I103-N122 WeakPolarHBondContact CA-OD1 3.39Å; D104-N122 WeakPolarHBondContact CA-ND2 3.49Å; D104-N122 PolarHBondContact N-ND2 3.06Å; D104-N122 PolarHBondContact N-OD1 3Å; M118-N122 WeakPolarHBondContact O-CB 3.3Å; M118-N122 PolarHBondContact O-N 3.01Å; M118-N122 PolarHBondContact O-ND2 3.12Å; M118-N122 PolarHBondContact O-OD1 3.46Å; F120-N122 VanDerWaalsContact C-N 3.29Å; F120-N122 PolarHBondContact O-N 3.25Å; N122-L124 VanDerWaalsContact C-N 3.27Å; N122-L124 PolarHBondContact O-N 3.43Å; N122-Y125 WeakPolarHBondContact O-CB 3.44Å; N122-Y125 PolarHBondContact O-N 3.48Å; N122-Y125 VanDerWaalsContact O-N 3.12Å; N122-H126 PolarHBondContact O-CD2 2.85Å; N122-H126 PolarHBondContact O-N 3.29Å
123S98.5Very high97.8Very high65 Ų6538.3 Ų38.346%0.45520%0.201SC..Hα-helixtrans-61.4-35.5178.282.10000113P119 F120 V121 S127P119-S123 PolarHBondContact O-N 3.3Å; P119-S123 VanDerWaalsContact O-N 3.11Å; F120-S123 WeakPolarHBondContact O-CB 3.34Å; F120-S123 PolarHBondContact O-N 3.21Å; F120-S123 VanDerWaalsContact O-N 3.08Å; F120-S123 PolarHBondContact O-OG 3.11Å; V121-S123 VanDerWaalsContact C-N 3.3Å; V121-S123 PolarHBondContact O-N 3.27Å; S123-S127 PolarHBondContact O-N 2.87Å
124L98.6Very high98Very high8 Ų836.4 Ų36.44%0.04219%0.189CC..Hα-helixtrans-72.3-42.3173.6-62.8177.6000110.8F120 V121 N122 H126 S127 S130 F303 L319 I357F120-L124 HydrophobicContact CD1-CD1 4.31Å; F120-L124 HydrophobicContact CE1-CD1 3.68Å; F120-L124 HydrophobicContact CE1-CG 4.18Å; F120-L124 HydrophobicContact CZ-CD1 4.11Å; F120-L124 HydrophobicContact CZ-CD2 4.25Å; F120-L124 HydrophobicContact CZ-CG 4.23Å; F120-L124 PolarHBondContact O-N 3.39Å; V121-L124 PolarHBondContact O-N 3.06Å; V121-L124 VanDerWaalsContact O-N 3.15Å; N122-L124 VanDerWaalsContact C-N 3.27Å; N122-L124 PolarHBondContact O-N 3.43Å; L124-H126 VanDerWaalsContact C-N 3.29Å; L124-H126 PolarHBondContact O-N 3.06Å; L124-S127 VanDerWaalsContact O-CB 3.31Å; L124-S127 WeakPolarHBondContact O-CB 3.28Å; L124-S127 PolarHBondContact O-N 2.95Å; L124-S127 VanDerWaalsContact O-N 3.12Å; L124-S130 WeakPolarHBondContact O-CB 3.39Å; L124-S130 PolarHBondContact O-OG 3.48Å; L124-F303 HydrophobicContact CD1-CE1 3.74Å; L124-F303 HydrophobicContact CD1-CE2 4.01Å; L124-F303 HydrophobicContact CD1-CZ 3.44Å; L124-F303 VanDerWaalsContact CD1-CZ 3.44Å; L124-F303 HydrophobicContact CD2-CD1 4.36Å; L124-F303 HydrophobicContact CD2-CE1 3.76Å; L124-F303 HydrophobicContact CD2-CZ 4.31Å; L124-F303 HydrophobicContact CG-CE1 4.42Å; L124-L319 HydrophobicContact CD1-CD1 3.86Å; L124-L319 HydrophobicContact CD1-CD2 4Å; L124-I357 HydrophobicContact CB-CG2 4.32Å
125Y98.7Very high98.1Very high11 Ų1132.2 Ų32.24%0.04317%0.17CC..Hα-helixtrans-57.2-42.4-179.6-176-92.1000111.9I103 V121 N122 S132 D134 I357 I368I103-Y125 HydrophobicContact CD1-CD2 4.36Å; I103-Y125 HydrophobicContact CG1-CD2 4.31Å; I103-Y125 HydrophobicContact CG2-CD1 3.63Å; I103-Y125 HydrophobicContact CG2-CD2 3.95Å; I103-Y125 HydrophobicContact CG2-CE1 3.84Å; I103-Y125 HydrophobicContact CG2-CE2 4.17Å; I103-Y125 HydrophobicContact CG2-CG 3.69Å; V121-Y125 WeakPolarHBondContact O-CB 3.28Å; V121-Y125 PolarHBondContact O-N 3.39Å; N122-Y125 WeakPolarHBondContact O-CB 3.44Å; N122-Y125 PolarHBondContact O-N 3.48Å; N122-Y125 VanDerWaalsContact O-N 3.12Å; Y125-S132 WeakPolarHBondContact CA-OG 3.38Å; Y125-S132 WeakPolarHBondContact O-CB 3.22Å; Y125-S132 PolarHBondContact O-OG 3.21Å; Y125-D134 WeakPolarHBondContact OH-CB 3.32Å; Y125-I357 HydrophobicContact CD2-CD1 4.07Å; Y125-I357 HydrophobicContact CD2-CG1 3.93Å; Y125-I357 HydrophobicContact CG-CD1 4.48Å; Y125-I368 HydrophobicContact CD1-CD1 4Å; Y125-I368 HydrophobicContact CD1-CG1 4.15Å; Y125-I368 HydrophobicContact CE1-CD1 3.41Å; Y125-I368 VanDerWaalsContact CE1-CD1 3.41Å; Y125-I368 HydrophobicContact CE1-CG1 3.59Å; Y125-I368 HydrophobicContact CE1-CG2 4.27Å; Y125-I368 VanDerWaalsContact OH-CG2 3.27Å; Y125-I368 WeakPolarHBondContact OH-CG2 3.28Å
126H98Very high98.3Very high100 Ų10029.5 Ų29.546%0.46316%0.157SC..THydrogen-bonded Turntrans-87.71.4179.2-67.3-70.5000114.7D104 N122 L124D104-H126 IonicContact OD1-CD2 3.84Å; D104-H126 IonicContact OD1-NE2 3.39Å; D104-H126 PolarHBondContact OD1-NE2 2.93Å; D104-H126 IonicContact OD2-CE1 3.7Å; D104-H126 PolarHBondContact OD2-CE1 3.2Å; D104-H126 VanDerWaalsContact OD2-CE1 3.28Å; D104-H126 IonicContact OD2-NE2 3.89Å; D104-H126 PolarHBondContact OD2-NE2 2.63Å; N122-H126 PolarHBondContact O-CD2 2.85Å; N122-H126 PolarHBondContact O-N 3.29Å; L124-H126 VanDerWaalsContact C-N 3.29Å; L124-H126 PolarHBondContact O-N 3.06Å
127S97.9Very high98.3Very high34 Ų3425.5 Ų25.524%0.23814%0.139CC..  trans-73.7138-177.7-175.60000112.1S123 L124 S129 S130S123-S127 PolarHBondContact O-N 2.87Å; L124-S127 VanDerWaalsContact O-CB 3.31Å; L124-S127 WeakPolarHBondContact O-CB 3.28Å; L124-S127 PolarHBondContact O-N 2.95Å; L124-S127 VanDerWaalsContact O-N 3.12Å; S127-S129 PolarHBondContact O-N 3.02Å; S127-S129 VanDerWaalsContact O-N 3.14Å; S127-S129 PolarHBondContact OG-N 3.32Å; S127-S129 VanDerWaalsContact OG-N 3.15Å; S127-S130 PolarHBondContact O-N 3.25Å
128Q97Very high98.4Very high140 Ų14026 Ų2665%0.65414%0.141SC*.THydrogen-bonded Turntrans-64.8-11.4168.6-70.5-175.8-30.100113.5S130 Q363 E364 G366Q128-S130 VanDerWaalsContact C-N 3.34Å; Q128-Q363 CarbonylContact C-O 3.54Å; Q128-Q363 CarbonylContact O-C 3.35Å; Q128-E364 CarbonylContact O-C 3.51Å; Q128-G366 WeakPolarHBondContact O-CA 3.25Å; Q128-G366 PolarHBondContact O-N 3.35Å
129S98.1Very high98.4Very high24 Ų2425.9 Ų25.917%0.16814%0.14CC..THydrogen-bonded Turntrans-88.6-0.3171.4-60.10000113.4S127 L360 Q363S127-S129 PolarHBondContact O-N 3.02Å; S127-S129 VanDerWaalsContact O-N 3.14Å; S127-S129 PolarHBondContact OG-N 3.32Å; S127-S129 VanDerWaalsContact OG-N 3.15Å; S129-L360 WeakPolarHBondContact CB-O 3.48Å; S129-L360 CarbonylContact O-C 3.56Å; S129-L360 PolarHBondContact O-N 3.13Å; S129-Q363 WeakPolarHBondContact CA-O 3.43Å; S129-Q363 WeakPolarHBondContact CB-O 3.35Å; S129-Q363 PolarHBondContact OG-O 3.28Å
130S98.7Very high98.3Very high0 Ų024 Ų240%013%0.128CC..EExtended strand (participates in β ladder)trans-113.7135.3-178.1-59.80000112.4L124 S127 Q128 I358 H359 G366 T367L124-S130 WeakPolarHBondContact O-CB 3.39Å; L124-S130 PolarHBondContact O-OG 3.48Å; S127-S130 PolarHBondContact O-N 3.25Å; Q128-S130 VanDerWaalsContact C-N 3.34Å; S130-I358 CarbonylContact C-O 3.56Å; S130-I358 WeakPolarHBondContact CA-O 3.25Å; S130-H359 PolarHBondContact OG-ND1 3.13Å; S130-G366 CarbonylContact O-C 3.41Å; S130-G366 WeakPolarHBondContact O-CA 3.39Å; S130-T367 PolarHBondContact O-N 3.06Å
131F98.3Very high98Very high14 Ų1425 Ų256%0.06114%0.137CC..EExtended strand (participates in β ladder)trans-88.7103.5155.8-56.1-73.9000107.9T81 I84 F133 I358 Q363 L385 L401T81-F131 HydrophobicContact CG2-CZ 4.19Å; I84-F131 HydrophobicContact CD1-CE2 3.85Å; I84-F131 HydrophobicContact CD1-CZ 4.04Å; F131-F133 HydrophobicContact CB-CE2 4.14Å; F131-F133 HydrophobicContact CB-CZ 4.34Å; F131-F133 WeakPolarHBondContact O-CE2 3.32Å; F131-I358 HydrophobicContact CB-CB 4.31Å; F131-I358 PolarHBondContact N-O 2.98Å; F131-I358 PolarHBondContact O-N 3.3Å; F131-Q363 HydrophobicContact CE2-CG 4.27Å; F131-Q363 HydrophobicContact CZ-CG 4.11Å; F131-L385 HydrophobicContact CE2-CD2 4.45Å; F131-L401 HydrophobicContact CB-CD2 4.23Å; F131-L401 HydrophobicContact CD1-CD2 3.98Å; F131-L401 HydrophobicContact CD2-CD1 4.2Å; F131-L401 HydrophobicContact CE2-CD1 4.37Å; F131-L401 HydrophobicContact CG-CD1 4.29Å; F131-L401 HydrophobicContact CG-CD2 4.1Å
132S98.7Very high97.6Very high0 Ų025.6 Ų25.60%014%0.143CC..EExtended strand (participates in β ladder)trans-105.3149.8-178.7-58.30000109.7Y125 L356 T367 I368 N369Y125-S132 WeakPolarHBondContact CA-OG 3.38Å; Y125-S132 WeakPolarHBondContact O-CB 3.22Å; Y125-S132 PolarHBondContact O-OG 3.21Å; S132-L356 WeakPolarHBondContact CA-O 3.37Å; S132-T367 PolarHBondContact N-O 3.16Å; S132-I368 CarbonylContact O-C 3.55Å; S132-I368 WeakPolarHBondContact O-CA 3.33Å; S132-N369 PolarHBondContact O-N 3.07Å
133F98.6Very high97.3Very high0 Ų025.4 Ų25.40%014%0.141CC..EExtended strand (participates in β ladder)trans-130.9134.2-177.6-56.3-98.7000110.8F131 V136 L356 I358 N369 T371 L400 L401F131-F133 HydrophobicContact CB-CE2 4.14Å; F131-F133 HydrophobicContact CB-CZ 4.34Å; F131-F133 WeakPolarHBondContact O-CE2 3.32Å; F133-V136 HydrophobicContact CB-CB 4.38Å; F133-V136 HydrophobicContact CB-CG2 3.49Å; F133-V136 VanDerWaalsContact CB-CG2 3.49Å; F133-V136 HydrophobicContact CD1-CG2 4.43Å; F133-V136 HydrophobicContact CG-CG2 4.02Å; F133-L356 HydrophobicContact CB-CB 4.35Å; F133-L356 HydrophobicContact CD2-CB 4.15Å; F133-L356 HydrophobicContact CD2-CD2 3.66Å; F133-L356 HydrophobicContact CD2-CG 3.8Å; F133-L356 HydrophobicContact CE2-CD2 4Å; F133-L356 HydrophobicContact CE2-CG 4.32Å; F133-L356 HydrophobicContact CG-CD2 4.24Å; F133-L356 PolarHBondContact N-O 2.75Å; F133-I358 HydrophobicContact CE2-CD1 4.08Å; F133-I358 HydrophobicContact CE2-CG1 4.41Å; F133-N369 WeakPolarHBondContact CA-O 3.48Å; F133-N369 HydrophobicContact CD1-CB 3.76Å; F133-N369 HydrophobicContact CE1-CB 3.79Å; F133-T371 HydrophobicContact CD1-CG2 4.06Å; F133-T371 HydrophobicContact CE1-CG2 4.1Å; F133-L400 HydrophobicContact CD1-CB 4.5Å; F133-L400 HydrophobicContact CD1-CD1 4.38Å; F133-L400 HydrophobicContact CE1-CB 3.63Å; F133-L400 HydrophobicContact CE1-CD1 4.11Å; F133-L400 HydrophobicContact CE1-CG 4.39Å; F133-L400 HydrophobicContact CE2-CD1 4.37Å; F133-L400 HydrophobicContact CZ-CB 3.83Å; F133-L400 HydrophobicContact CZ-CD1 4.09Å; F133-L401 HydrophobicContact CE1-CD2 4.3Å; F133-L401 HydrophobicContact CZ-CD2 3.8Å; F133-L401 HydrophobicContact CZ-CG 4.48Å
134D97.7Very high97.1Very high37 Ų3723.6 Ų23.620%0.19813%0.125CC..SBendtrans-102-18.3176.960.3-2.6000113.8Y125 K353 H370Y125-D134 WeakPolarHBondContact OH-CB 3.32Å; D134-K353 WeakPolarHBondContact O-CD 3.42Å; D134-H370 VanDerWaalsContact OD1-CA 3.31Å; D134-H370 WeakPolarHBondContact OD1-CA 3.24Å; D134-H370 IonicContact OD1-ND1 3.37Å; D134-H370 PolarHBondContact OD1-ND1 3.42Å; D134-H370 IonicContact OD2-CE1 2.77Å; D134-H370 PolarHBondContact OD2-CE1 3.38Å; D134-H370 IonicContact OD2-CG 3.78Å; D134-H370 IonicContact OD2-ND1 3.98Å; D134-H370 PolarHBondContact OD2-ND1 3.17Å
135N98Very high97.1Very high14 Ų1423.5 Ų23.58%0.07513%0.125CC..SBendtrans-110.834.2-179-67.7-40000112.7Y137 K353 H370 T371 Y372 G373N135-Y137 WeakPolarHBondContact O-CD2 3.27Å; N135-Y137 WeakPolarHBondContact O-CE2 3.12Å; N135-K353 VanDerWaalsContact OD1-CE 3.26Å; N135-K353 WeakPolarHBondContact OD1-CE 3.31Å; N135-K353 PolarHBondContact OD1-NZ 3.29Å; N135-H370 PolarHBondContact ND2-O 3.4Å; N135-T371 WeakPolarHBondContact CB-O 3.28Å; N135-Y372 HydrophobicContact CB-CD1 4.01Å; N135-Y372 HydrophobicContact CB-CD2 4.25Å; N135-Y372 HydrophobicContact CB-CE1 4.24Å; N135-Y372 HydrophobicContact CB-CE2 4.46Å; N135-Y372 HydrophobicContact CB-CG 4.02Å; N135-Y372 WeakPolarHBondContact O-CA 3.32Å; N135-G373 PolarHBondContact O-N 3.44Å
136V98.7Very high97Very high2 Ų223 Ų231%0.01212%0.123CC..EExtended strand (participates in β ladder)trans-93.3129.6170.2171.60000110.2F133 K353 V354 L356 G373 L400F133-V136 HydrophobicContact CB-CB 4.38Å; F133-V136 HydrophobicContact CB-CG2 3.49Å; F133-V136 VanDerWaalsContact CB-CG2 3.49Å; F133-V136 HydrophobicContact CD1-CG2 4.43Å; F133-V136 HydrophobicContact CG-CG2 4.02Å; V136-K353 CarbonylContact O-C 3.52Å; V136-K353 VanDerWaalsContact O-CA 3.24Å; V136-K353 WeakPolarHBondContact O-CA 3.32Å; V136-V354 HydrophobicContact CG1-CG2 4.26Å; V136-V354 PolarHBondContact O-N 3.47Å; V136-L356 HydrophobicContact CB-CB 4.28Å; V136-L356 HydrophobicContact CG1-CB 4.22Å; V136-L356 HydrophobicContact CG1-CD2 4.43Å; V136-L356 HydrophobicContact CG2-CB 4.2Å; V136-L356 HydrophobicContact CG2-CD2 3.95Å; V136-G373 VanDerWaalsContact CA-O 3.31Å; V136-G373 WeakPolarHBondContact CA-O 3.44Å; V136-L400 HydrophobicContact CG2-CD1 4.39Å
137Y98.8Very high97Very high0 Ų018.2 Ų18.20%010%0.101CC..EExtended strand (participates in β ladder)trans-112.7147.1179.6-57.6-108.7000111.7N135 I349 Q350 Q352 K353 Y372 G373 Q375 V409 F411 V417N135-Y137 WeakPolarHBondContact O-CD2 3.27Å; N135-Y137 WeakPolarHBondContact O-CE2 3.12Å; Y137-I349 WeakPolarHBondContact CE1-O 3.41Å; Y137-Q350 PolarHBondContact OH-NE2 3.01Å; Y137-Q350 PolarHBondContact OH-OE1 3.27Å; Y137-Q352 HydrophobicContact CD1-CB 4.07Å; Y137-K353 HydrophobicContact CD1-CG 3.82Å; Y137-K353 HydrophobicContact CD2-CG 4.4Å; Y137-K353 HydrophobicContact CE1-CD 4.37Å; Y137-K353 HydrophobicContact CE1-CG 3.53Å; Y137-K353 HydrophobicContact CE2-CG 4.11Å; Y137-K353 HydrophobicContact CG-CG 4.25Å; Y137-K353 VanDerWaalsContact CZ-CE 3.41Å; Y137-K353 WeakPolarHBondContact OH-CE 3.27Å; Y137-Y372 AromaticContact CE2-CD1 3.87Å; Y137-Y372 HydrophobicContact CE2-CD1 3.87Å; Y137-Y372 HydrophobicContact CE2-CE1 4.35Å; Y137-G373 PolarHBondContact N-O 3.23Å; Y137-Q375 PolarHBondContact O-N 3.25Å; Y137-V409 HydrophobicContact CD2-CG1 4.26Å; Y137-V409 HydrophobicContact CD2-CG2 4.36Å; Y137-V409 HydrophobicContact CG-CG1 4.41Å; Y137-F411 HydrophobicContact CD1-CE1 4.03Å; Y137-F411 AromaticContact CD1-CZ 3.68Å; Y137-F411 HydrophobicContact CD1-CZ 3.68Å; Y137-F411 HydrophobicContact CE1-CZ 4.28Å; Y137-F411 HydrophobicContact CG-CE1 4.09Å; Y137-F411 HydrophobicContact CG-CZ 4.09Å; Y137-V417 HydrophobicContact CE1-CG2 4.17Å; Y137-V417 HydrophobicContact CE2-CB 4.47Å; Y137-V417 HydrophobicContact CE2-CG1 4.21Å
138H98.5Very high97.1Very high10 Ų1016.6 Ų16.65%0.0469%0.09CC..  trans-70.4152.2166.377.877.8000110.1V140 D322 H323 Y324 Q352 V354H138-V140 WeakPolarHBondContact ND1-CG2 3.48Å; H138-D322 WeakPolarHBondContact CB-O 3.49Å; H138-H323 HydrophobicContact CB-CB 4.42Å; H138-Y324 AromaticContact CE1-CD1 3.8Å; H138-Y324 AromaticContact NE2-CD1 3.52Å; H138-Q352 PolarHBondContact CD2-O 3.16Å; H138-Q352 PolarHBondContact CE1-OE1 3.16Å; H138-Q352 PolarHBondContact N-O 3.45Å; H138-Q352 PolarHBondContact NE2-OE1 3.4Å; H138-V354 HydrophobicContact CB-CG1 3.92Å; H138-V354 HydrophobicContact CB-CG2 4.2Å
139Q98.2Very high97.1Very high3 Ų310 Ų101%0.0146%0.059CC..  trans-127.324.3-178.5-60.4171.7-8200111.5L151 F157 G374 V409 A410Q139-L151 HydrophobicContact CB-CD1 3.79Å; Q139-L151 HydrophobicContact CB-CD2 4.12Å; Q139-F157 HydrophobicContact CB-CD1 4.25Å; Q139-F157 HydrophobicContact CB-CE1 3.91Å; Q139-F157 HydrophobicContact CG-CE1 4.34Å; Q139-F157 VanDerWaalsContact NE2-CE1 3.31Å; Q139-G374 VanDerWaalsContact OE1-C 3.32Å; Q139-G374 VanDerWaalsContact OE1-CA 3.23Å; Q139-V409 HydrophobicContact CG-CG1 4.37Å; Q139-A410 WeakPolarHBondContact CG-O 3.27Å; Q139-A410 PolarHBondContact NE2-O 2.82Å
140V96.7Very high97.2Very high14 Ų148.8 Ų8.89%0.0855%0.051CC..  trans-78.6166.5-174.5-50.80000112.1H138 K144 D147 A148 L151 H323H138-V140 WeakPolarHBondContact ND1-CG2 3.48Å; V140-K144 WeakPolarHBondContact CG1-O 3.42Å; V140-K144 HydrophobicContact CG2-CD 4.49Å; V140-D147 HydrophobicContact CB-CB 3.77Å; V140-D147 HydrophobicContact CG1-CB 3.89Å; V140-A148 HydrophobicContact CG1-CB 3.84Å; V140-L151 HydrophobicContact CG1-CD1 4.36Å; V140-H323 HydrophobicContact CG1-CB 4.48Å; V140-H323 HydrophobicContact CG2-CB 3.57Å
141S92.6Very high97.2Very high43 Ų438.8 Ų8.830%0.3015%0.051SC..  trans-132.1-117.7168.6177.30000109.8D147S141-D147 PolarHBondContact N-OD2 3.25Å
142A89.3Confident97.2Very high14 Ų148.2 Ų8.212%0.1165%0.048CC..THydrogen-bonded Turntrans-79.4-20.7-173.200000113.3T23 R24 K144T23-A142 WeakPolarHBondContact O-CB 3.29Å; R24-A142 HydrophobicContact CG-CB 4.4Å; A142-K144 VanDerWaalsContact C-N 3.32Å
143G93.3Very high97.2Very high0 Ų08.3 Ų8.30%05%0.049CC..THydrogen-bonded Turntrans-80.6-10.517600000114T145 S146 D147 W200G143-T145 PolarHBondContact O-N 3.07Å; G143-S146 WeakPolarHBondContact CA-OG 3.28Å; G143-S146 WeakPolarHBondContact O-CB 3.47Å; G143-S146 PolarHBondContact O-N 2.98Å; G143-S146 PolarHBondContact O-OG 3.11Å; G143-D147 VanDerWaalsContact CA-CG 3.42Å; G143-D147 WeakPolarHBondContact CA-OD1 3.47Å; G143-D147 VanDerWaalsContact CA-OD2 3.23Å; G143-D147 WeakPolarHBondContact CA-OD2 3.36Å; G143-D147 PolarHBondContact N-OD2 3.45Å; G143-W200 WeakPolarHBondContact O-CH2 3.41Å; G143-W200 WeakPolarHBondContact O-CZ2 3.36Å
144K94.8Very high97.2Very high27 Ų278.5 Ų8.512%0.1175%0.05CC..THydrogen-bonded Turntrans53.5-124.1170.6-65.7-61.7-171.61730111.1V140 A142 S146 D147 A148 W200 Y324V140-K144 WeakPolarHBondContact CG1-O 3.42Å; V140-K144 HydrophobicContact CG2-CD 4.49Å; A142-K144 VanDerWaalsContact C-N 3.32Å; K144-S146 PolarHBondContact O-N 3.39Å; K144-S146 VanDerWaalsContact O-N 3.15Å; K144-D147 PolarHBondContact N-OD2 2.79Å; K144-D147 WeakPolarHBondContact O-CB 3.44Å; K144-D147 PolarHBondContact O-N 2.79Å; K144-A148 PolarHBondContact O-N 3.4Å; K144-A148 VanDerWaalsContact O-N 3.13Å; K144-W200 HydrophobicContact CB-CZ2 4.17Å; K144-Y324 PolarHBondContact NZ-OH 2.95Å
145T97.4Very high97.2Very high6 Ų66.8 Ų6.84%0.0374%0.04CC..Hα-helixtrans-46.2-43.6173.8-36.40000112.6H94 E96 G143 D147 A148 E149 D322 H323H94-T145 VanDerWaalsContact CE1-CG2 3.43Å; H94-T145 WeakPolarHBondContact CE1-CG2 3.43Å; E96-T145 PolarHBondContact OE2-OG1 3.5Å; G143-T145 PolarHBondContact O-N 3.07Å; T145-D147 VanDerWaalsContact C-N 3.31Å; T145-D147 PolarHBondContact O-N 3.28Å; T145-A148 WeakPolarHBondContact O-CB 3.42Å; T145-A148 PolarHBondContact O-N 2.95Å; T145-E149 VanDerWaalsContact O-CG 3.32Å; T145-E149 WeakPolarHBondContact O-CG 3.39Å; T145-E149 PolarHBondContact O-N 2.87Å; T145-D322 WeakPolarHBondContact CA-OD2 3.29Å; T145-D322 PolarHBondContact OG1-OD2 3.11Å; T145-H323 PolarHBondContact N-CD2 2.95Å
146S97.8Very high97.2Very high0 Ų06.2 Ų6.20%04%0.038CC..Hα-helixtrans-69.3-25.7-179.769.70000113.9G143 K144 T150 S163 F165G143-S146 WeakPolarHBondContact CA-OG 3.28Å; G143-S146 WeakPolarHBondContact O-CB 3.47Å; G143-S146 PolarHBondContact O-N 2.98Å; G143-S146 PolarHBondContact O-OG 3.11Å; K144-S146 PolarHBondContact O-N 3.39Å; K144-S146 VanDerWaalsContact O-N 3.15Å; S146-T150 PolarHBondContact O-N 3.14Å; S146-T150 PolarHBondContact O-OG1 3.43Å; S146-S163 PolarHBondContact OG-OG 3.03Å; S146-F165 WeakPolarHBondContact O-CE1 3.26Å
147D98.3Very high97.2Very high1 Ų16.1 Ų6.11%0.0054%0.037CC..Hα-helixtrans-74.5-41.2171.9-68.3-21000110.2V140 S141 G143 K144 T145 E149 T150 L151V140-D147 HydrophobicContact CB-CB 3.77Å; V140-D147 HydrophobicContact CG1-CB 3.89Å; S141-D147 PolarHBondContact N-OD2 3.25Å; G143-D147 VanDerWaalsContact CA-CG 3.42Å; G143-D147 WeakPolarHBondContact CA-OD1 3.47Å; G143-D147 VanDerWaalsContact CA-OD2 3.23Å; G143-D147 WeakPolarHBondContact CA-OD2 3.36Å; G143-D147 PolarHBondContact N-OD2 3.45Å; K144-D147 PolarHBondContact N-OD2 2.79Å; K144-D147 WeakPolarHBondContact O-CB 3.44Å; K144-D147 PolarHBondContact O-N 2.79Å; T145-D147 VanDerWaalsContact C-N 3.31Å; T145-D147 PolarHBondContact O-N 3.28Å; D147-E149 VanDerWaalsContact C-N 3.3Å; D147-E149 PolarHBondContact O-N 3.42Å; D147-T150 WeakPolarHBondContact O-CA 3.29Å; D147-T150 VanDerWaalsContact O-CB 3.31Å; D147-T150 WeakPolarHBondContact O-CB 3.34Å; D147-T150 PolarHBondContact O-N 3.17Å; D147-L151 WeakPolarHBondContact O-CD1 3.47Å; D147-L151 WeakPolarHBondContact O-CG 3.39Å; D147-L151 PolarHBondContact O-N 3.34Å
148A98.6Very high97.1Very high0 Ų06.2 Ų6.20%04%0.038CC..Hα-helixtrans-59.7-43.7173.900000110.8V140 K144 T145 T150 L151 L152 D322V140-A148 HydrophobicContact CG1-CB 3.84Å; K144-A148 PolarHBondContact O-N 3.4Å; K144-A148 VanDerWaalsContact O-N 3.13Å; T145-A148 WeakPolarHBondContact O-CB 3.42Å; T145-A148 PolarHBondContact O-N 2.95Å; A148-T150 VanDerWaalsContact C-N 3.3Å; A148-T150 PolarHBondContact O-N 2.98Å; A148-L151 PolarHBondContact O-N 3.45Å; A148-L152 WeakPolarHBondContact O-CD1 3.31Å; A148-L152 PolarHBondContact O-N 3.26Å; A148-D322 HydrophobicContact CB-CB 3.73Å
149E98.7Very high96.7Very high0 Ų05.9 Ų5.90%04%0.036CC..Hα-helixtrans-61-38.2172-65.7-175.5-110.600112.2T145 D147 E153 F165 R202 Y206 K255T145-E149 VanDerWaalsContact O-CG 3.32Å; T145-E149 WeakPolarHBondContact O-CG 3.39Å; T145-E149 PolarHBondContact O-N 2.87Å; D147-E149 VanDerWaalsContact C-N 3.3Å; D147-E149 PolarHBondContact O-N 3.42Å; E149-E153 WeakPolarHBondContact O-CB 3.4Å; E149-E153 WeakPolarHBondContact O-CG 3.46Å; E149-E153 PolarHBondContact O-N 3.26Å; E149-F165 HydrophobicContact CB-CE1 4.36Å; E149-F165 HydrophobicContact CB-CE2 4.44Å; E149-F165 HydrophobicContact CB-CZ 3.74Å; E149-R202 IonicContact OE1-CZ 2.63Å; E149-R202 VanDerWaalsContact OE1-CZ 3.25Å; E149-R202 IonicContact OE1-NE 3.13Å; E149-R202 PolarHBondContact OE1-NE 3.12Å; E149-R202 IonicContact OE1-NH2 2.93Å; E149-R202 PolarHBondContact OE1-NH2 2.83Å; E149-R202 IonicContact OE2-NE 3.1Å; E149-Y206 WeakPolarHBondContact OE2-CE1 3.42Å; E149-Y206 PolarHBondContact OE2-OH 2.88Å; E149-K255 IonicContact OE2-NZ 3.52Å; E149-K255 PolarHBondContact OE2-NZ 3.06Å
150T98.5Very high96Very high0 Ų010.9 Ų10.90%06%0.063CC..Hα-helixtrans-61.4-46.9174.8-57.70000111S146 D147 A148 N154 L156 L164 F165S146-T150 PolarHBondContact O-N 3.14Å; S146-T150 PolarHBondContact O-OG1 3.43Å; D147-T150 WeakPolarHBondContact O-CA 3.29Å; D147-T150 VanDerWaalsContact O-CB 3.31Å; D147-T150 WeakPolarHBondContact O-CB 3.34Å; D147-T150 PolarHBondContact O-N 3.17Å; A148-T150 VanDerWaalsContact C-N 3.3Å; A148-T150 PolarHBondContact O-N 2.98Å; T150-N154 WeakPolarHBondContact O-CB 3.28Å; T150-N154 PolarHBondContact O-N 2.88Å; T150-N154 PolarHBondContact O-ND2 3.3Å; T150-L156 CarbonylContact C-O 3.55Å; T150-L164 HydrophobicContact CG2-CD1 3.96Å; T150-L164 HydrophobicContact CG2-CD2 4.24Å; T150-F165 WeakPolarHBondContact OG1-CE1 3.39Å
151L98.7Very high95.1Very high0 Ų015 Ų150%08%0.081CC..Hα-helixtrans-60.5-50.5179.6-73.1153.1000111.6Q139 V140 D147 A148 S155 L156 F157 Q375 I376Q139-L151 HydrophobicContact CB-CD1 3.79Å; Q139-L151 HydrophobicContact CB-CD2 4.12Å; V140-L151 HydrophobicContact CG1-CD1 4.36Å; D147-L151 WeakPolarHBondContact O-CD1 3.47Å; D147-L151 WeakPolarHBondContact O-CG 3.39Å; D147-L151 PolarHBondContact O-N 3.34Å; A148-L151 PolarHBondContact O-N 3.45Å; L151-S155 VanDerWaalsContact O-CA 3.23Å; L151-S155 WeakPolarHBondContact O-CA 3.48Å; L151-S155 PolarHBondContact O-N 2.89Å; L151-L156 VanDerWaalsContact CA-O 3.3Å; L151-L156 WeakPolarHBondContact CA-O 3.47Å; L151-L156 PolarHBondContact N-O 3.16Å; L151-F157 HydrophobicContact CD2-CD1 3.96Å; L151-F157 HydrophobicContact CD2-CE1 4.32Å; L151-F157 HydrophobicContact CD2-CG 4.31Å; L151-Q375 HydrophobicContact CB-CB 3.92Å; L151-Q375 HydrophobicContact CD1-CB 4.11Å; L151-Q375 HydrophobicContact CG-CB 4.49Å; L151-I376 HydrophobicContact CD2-CB 3.73Å; L151-I376 HydrophobicContact CD2-CD1 4.15Å; L151-I376 HydrophobicContact CD2-CG1 4.01Å
152L98.7Very high94.7Very high2 Ų213 Ų131%0.017%0.068CC..Hα-helixtrans-70.3-33.8-177.8-87.275.4000113.1Y92 A148 Y320 Q375 V378 L379Y92-L152 HydrophobicContact CD1-CD2 4.24Å; Y92-L152 HydrophobicContact CE1-CD2 3.6Å; A148-L152 WeakPolarHBondContact O-CD1 3.31Å; A148-L152 PolarHBondContact O-N 3.26Å; L152-Y320 HydrophobicContact CD1-CD2 4.15Å; L152-Y320 HydrophobicContact CD1-CE2 4.17Å; L152-Y320 HydrophobicContact CD2-CD1 3.68Å; L152-Y320 HydrophobicContact CD2-CD2 3.51Å; L152-Y320 HydrophobicContact CD2-CE1 3.62Å; L152-Y320 HydrophobicContact CD2-CE2 3.45Å; L152-Y320 VanDerWaalsContact CD2-CE2 3.45Å; L152-Y320 HydrophobicContact CD2-CG 3.61Å; L152-Y320 VanDerWaalsContact CD2-CZ 3.49Å; L152-Y320 HydrophobicContact CG-CE2 4.47Å; L152-Q375 HydrophobicContact CD1-CB 3.8Å; L152-Q375 HydrophobicContact CD1-CG 3.97Å; L152-V378 HydrophobicContact CG-CB 4.32Å; L152-V378 HydrophobicContact CG-CG1 4.49Å; L152-L379 WeakPolarHBondContact O-CB 3.38Å
153E98.8Very high94.8Very high1 Ų112.3 Ų12.31%0.0056%0.062CC..Hα-helixtrans-91.4-20.3-174.4-56-78.2-166.200112.4E149 A176 A177 P178 F209 Y211 Y253 K255 L379E149-E153 WeakPolarHBondContact O-CB 3.4Å; E149-E153 WeakPolarHBondContact O-CG 3.46Å; E149-E153 PolarHBondContact O-N 3.26Å; E153-A176 HydrophobicContact CB-CB 4.49Å; E153-A176 CarbonylContact O-C 3.55Å; E153-A176 WeakPolarHBondContact O-CA 3.23Å; E153-A177 PolarHBondContact O-N 3.29Å; E153-P178 WeakPolarHBondContact OE2-CD 3.36Å; E153-F209 HydrophobicContact CB-CD2 4.03Å; E153-F209 HydrophobicContact CB-CE2 3.87Å; E153-F209 HydrophobicContact CG-CD2 4.24Å; E153-F209 HydrophobicContact CG-CE2 4.12Å; E153-Y211 PolarHBondContact OE1-OH 2.98Å; E153-Y253 PolarHBondContact OE1-OH 3.45Å; E153-Y253 PolarHBondContact OE2-OH 2.91Å; E153-K255 WeakPolarHBondContact OE1-CE 3.36Å; E153-K255 IonicContact OE1-NZ 2.9Å; E153-K255 PolarHBondContact OE1-NZ 2.62Å; E153-L379 WeakPolarHBondContact O-CD2 3.44Å
154N98.5Very high94.8Very high5 Ų512.3 Ų12.33%0.0276%0.062CC..Hα-helixtrans-127-14.1-174.5-58.8-95.1000113.8T150 L156 F174 A176 F209T150-N154 WeakPolarHBondContact O-CB 3.28Å; T150-N154 PolarHBondContact O-N 2.88Å; T150-N154 PolarHBondContact O-ND2 3.3Å; N154-L156 HydrophobicContact CB-CB 4.1Å; N154-L156 HydrophobicContact CB-CD1 4.23Å; N154-L156 HydrophobicContact CB-CG 4.13Å; N154-L156 PolarHBondContact O-N 3.46Å; N154-F174 WeakPolarHBondContact OD1-CD1 3.24Å; N154-A176 WeakPolarHBondContact OD1-CB 3.44Å; N154-F209 WeakPolarHBondContact ND2-CZ 3.47Å
155S98.4Very high94.9Very high0 Ų011 Ų110%06%0.056CC..SBendtrans5438.8-166.1-162.70000111.9L151 I376 L396 G397L151-S155 VanDerWaalsContact O-CA 3.23Å; L151-S155 WeakPolarHBondContact O-CA 3.48Å; L151-S155 PolarHBondContact O-N 2.89Å; S155-I376 VanDerWaalsContact C-CG1 3.43Å; S155-I376 WeakPolarHBondContact CB-O 3.32Å; S155-I376 WeakPolarHBondContact O-CG1 3.46Å; S155-I376 PolarHBondContact OG-O 2.98Å; S155-L396 WeakPolarHBondContact O-CB 3.35Å; S155-L396 PolarHBondContact O-N 3.23Å; S155-L396 VanDerWaalsContact O-N 3.11Å; S155-L396 PolarHBondContact OG-N 2.76Å; S155-G397 WeakPolarHBondContact OG-CA 3.42Å; S155-G397 PolarHBondContact OG-N 3.04Å
156L98.3Very high94.6Very high3 Ų311.6 Ų11.62%0.0166%0.06CC..  trans-129.6151.6175.8-65.3178000109.5T150 L151 N154 L396 I465T150-L156 CarbonylContact C-O 3.55Å; L151-L156 VanDerWaalsContact CA-O 3.3Å; L151-L156 WeakPolarHBondContact CA-O 3.47Å; L151-L156 PolarHBondContact N-O 3.16Å; N154-L156 HydrophobicContact CB-CB 4.1Å; N154-L156 HydrophobicContact CB-CD1 4.23Å; N154-L156 HydrophobicContact CB-CG 4.13Å; N154-L156 PolarHBondContact O-N 3.46Å; L156-L396 HydrophobicContact CD2-CD1 3.65Å; L156-L396 HydrophobicContact CD2-CG 3.82Å; L156-I465 HydrophobicContact CD1-CG2 3.81Å; L156-I465 HydrophobicContact CD2-CD1 4.12Å
157F98.1Very high94.1Very high0 Ų013 Ų130%07%0.067CC..  trans-74153.5176.2-67.3-90.7000111.9Q139 L151 I376 L396 A410 Q458 L459 S462 N466Q139-F157 HydrophobicContact CB-CD1 4.25Å; Q139-F157 HydrophobicContact CB-CE1 3.91Å; Q139-F157 HydrophobicContact CG-CE1 4.34Å; Q139-F157 VanDerWaalsContact NE2-CE1 3.31Å; L151-F157 HydrophobicContact CD2-CD1 3.96Å; L151-F157 HydrophobicContact CD2-CE1 4.32Å; L151-F157 HydrophobicContact CD2-CG 4.31Å; F157-I376 HydrophobicContact CD2-CD1 3.62Å; F157-I376 HydrophobicContact CE1-CD1 4.4Å; F157-I376 HydrophobicContact CE2-CD1 3.25Å; F157-I376 HydrophobicContact CG-CD1 4.33Å; F157-I376 HydrophobicContact CZ-CD1 3.68Å; F157-L396 HydrophobicContact CD2-CD1 4.35Å; F157-A410 HydrophobicContact CE1-CB 4.42Å; F157-A410 HydrophobicContact CZ-CB 3.93Å; F157-Q458 HydrophobicContact CE2-CG 4.08Å; F157-L459 HydrophobicContact CD1-CD2 3.77Å; F157-L459 HydrophobicContact CD2-CD2 3.92Å; F157-L459 HydrophobicContact CE1-CD2 3.74Å; F157-L459 HydrophobicContact CE2-CD2 3.91Å; F157-L459 HydrophobicContact CG-CD2 3.86Å; F157-L459 HydrophobicContact CZ-CD2 3.83Å; F157-S462 PolarHBondContact N-OG 3Å; F157-N466 PolarHBondContact O-ND2 2.76Å
158G95.9Very high93.9Very high1 Ų113 Ų131%0.017%0.067CC..  trans-62.4177.8158.900000112.2R412G158-R412 PolarHBondContact O-NE 3.2Å
159L91.9Very high93.8Very high4 Ų413 Ų132%0.0217%0.067CC..  trans-75.5156179.6-61.8177.1000111.5Q161 L164 Q167 L168 N466L159-Q161 PolarHBondContact O-N 3.34Å; L159-L164 HydrophobicContact CD1-CB 4.45Å; L159-L164 HydrophobicContact CG-CB 4.04Å; L159-Q167 HydrophobicContact CD1-CB 4.17Å; L159-L168 HydrophobicContact CD1-CD1 4.01Å; L159-L168 HydrophobicContact CD1-CG 4.29Å; L159-L168 HydrophobicContact CD2-CD1 3.88Å; L159-L168 HydrophobicContact CG-CD1 4.45Å; L159-N466 HydrophobicContact CD2-CB 4.28Å
160N82.5Confident93.5Very high108 Ų10813.9 Ų13.958%0.5788%0.076SC*.SBendtrans-67.8-25.3171.758.3-4.2000112.2R412N160-R412 VanDerWaalsContact CB-NH2 3.35Å
161Q78Confident93.2Very high100 Ų10017.2 Ų17.247%0.4679%0.09SC..SBendtrans-139.7129.8177.6-172.3-179.659.500111L159 Q167L159-Q161 PolarHBondContact O-N 3.34Å; Q161-Q167 PolarHBondContact O-NE2 2.57Å
162G83.4Confident93.1Very high1 Ų117.3 Ų17.31%0.019%0.091CC..SBendtrans72.9-174.3-175.700000113.1T23 Q167T23-G162 WeakPolarHBondContact O-CA 3.42Å; T23-G162 PolarHBondContact O-N 2.67Å; G162-Q167 VanDerWaalsContact CA-NE2 3.34Å
163S91.7Very high93Very high0 Ų019.2 Ų19.20%010%0.103CC..  trans-96.5134.7178.6163.50000110.8T25 S146 F165 S166 Q167 W200T25-S163 PolarHBondContact OG1-N 3.13Å; S146-S163 PolarHBondContact OG-OG 3.03Å; S163-F165 VanDerWaalsContact C-N 3.32Å; S163-F165 PolarHBondContact OG-N 3.16Å; S163-S166 PolarHBondContact O-N 3Å; S163-S166 PolarHBondContact OG-N 3.29Å; S163-Q167 WeakPolarHBondContact O-CB 3.26Å; S163-Q167 WeakPolarHBondContact O-CG 3.41Å; S163-Q167 PolarHBondContact O-N 2.82Å; S163-Q167 VanDerWaalsContact O-N 3.13Å; S163-Q167 PolarHBondContact O-NE2 3.05Å; S163-W200 VanDerWaalsContact CB-CZ3 3.46Å
164L94.7Very high92.9Very high0 Ų019.6 Ų19.60%010%0.104CC..Hα-helixtrans-58.6-46.3171.3-179.2141.7000110.9T150 L159 S166 Q167 L168 G169 F174 N466T150-L164 HydrophobicContact CG2-CD1 3.96Å; T150-L164 HydrophobicContact CG2-CD2 4.24Å; L159-L164 HydrophobicContact CD1-CB 4.45Å; L159-L164 HydrophobicContact CG-CB 4.04Å; L164-S166 VanDerWaalsContact C-N 3.28Å; L164-S166 PolarHBondContact O-N 3.1Å; L164-Q167 PolarHBondContact O-N 2.89Å; L164-L168 HydrophobicContact CG-CB 4.49Å; L164-L168 WeakPolarHBondContact O-CA 3.43Å; L164-L168 PolarHBondContact O-N 3.47Å; L164-G169 PolarHBondContact O-N 3.15Å; L164-F174 HydrophobicContact CD2-CE1 4.03Å; L164-F174 HydrophobicContact CD2-CZ 3.88Å; L164-N466 HydrophobicContact CD1-CB 3.99Å; L164-N466 WeakPolarHBondContact CD1-ND2 3.38Å; L164-N466 WeakPolarHBondContact CD1-OD1 3.38Å
165F96Very high92.7Very high0 Ų020.3 Ų20.30%011%0.108CC..Iπ-helixtrans-59.1-42.8-177.6-81.230.4000111.6S146 E149 T150 S163 G169 W200 N201 R202 T205 Y206 F209S146-F165 WeakPolarHBondContact O-CE1 3.26Å; E149-F165 HydrophobicContact CB-CE1 4.36Å; E149-F165 HydrophobicContact CB-CE2 4.44Å; E149-F165 HydrophobicContact CB-CZ 3.74Å; T150-F165 WeakPolarHBondContact OG1-CE1 3.39Å; S163-F165 VanDerWaalsContact C-N 3.32Å; S163-F165 PolarHBondContact OG-N 3.16Å; F165-G169 WeakPolarHBondContact O-CA 3.34Å; F165-G169 PolarHBondContact O-N 3.27Å; F165-W200 WeakPolarHBondContact CB-O 3.47Å; F165-W200 HydrophobicContact CD2-CB 4.43Å; F165-W200 WeakPolarHBondContact CD2-O 3.28Å; F165-N201 PolarHBondContact O-ND2 3.11Å; F165-R202 HydrophobicContact CD2-CG 4.07Å; F165-R202 HydrophobicContact CE2-CG 3.95Å; F165-T205 HydrophobicContact CB-CG2 4.43Å; F165-T205 HydrophobicContact CD1-CG2 3.68Å; F165-T205 HydrophobicContact CD2-CG2 3.94Å; F165-T205 HydrophobicContact CE1-CG2 3.74Å; F165-T205 HydrophobicContact CE2-CG2 4.01Å; F165-T205 HydrophobicContact CG-CG2 3.76Å; F165-T205 HydrophobicContact CZ-CG2 3.9Å; F165-T205 PolarHBondContact O-OG1 3.35Å; F165-Y206 HydrophobicContact CE2-CD1 4.33Å; F165-Y206 AromaticContact CE2-CE1 3.93Å; F165-Y206 HydrophobicContact CE2-CE1 3.93Å; F165-Y206 HydrophobicContact CZ-CE1 4.26Å; F165-F209 HydrophobicContact CD1-CZ 4.43Å; F165-F209 AromaticContact CE1-CE2 3.7Å; F165-F209 HydrophobicContact CE1-CE2 3.7Å; F165-F209 AromaticContact CE1-CZ 3.53Å; F165-F209 HydrophobicContact CE1-CZ 3.53Å; F165-F209 AromaticContact CZ-CE2 3.58Å; F165-F209 HydrophobicContact CZ-CE2 3.58Å; F165-F209 AromaticContact CZ-CZ 3.91Å; F165-F209 HydrophobicContact CZ-CZ 3.91Å
166S90.1Very high92.7Very high17 Ų1720.3 Ų20.312%0.11911%0.108CC..Iπ-helixtrans-74.7-34.8-175.8-63.60000113T25 S163 L164T25-S166 VanDerWaalsContact O-CB 3.24Å; T25-S166 WeakPolarHBondContact O-CB 3.17Å; T25-S166 PolarHBondContact O-OG 3.4Å; S163-S166 PolarHBondContact O-N 3Å; S163-S166 PolarHBondContact OG-N 3.29Å; L164-S166 VanDerWaalsContact C-N 3.28Å; L164-S166 PolarHBondContact O-N 3.1Å
167Q89.2Confident92.8Very high30 Ų3020.1 Ų20.114%0.1411%0.107CC..Iπ-helixtrans-89.9-42.9-175.9-69-179.885.800113.1L159 Q161 G162 S163 L164L159-Q167 HydrophobicContact CD1-CB 4.17Å; Q161-Q167 PolarHBondContact O-NE2 2.57Å; G162-Q167 VanDerWaalsContact CA-NE2 3.34Å; S163-Q167 WeakPolarHBondContact O-CB 3.26Å; S163-Q167 WeakPolarHBondContact O-CG 3.41Å; S163-Q167 PolarHBondContact O-N 2.82Å; S163-Q167 VanDerWaalsContact O-N 3.13Å; S163-Q167 PolarHBondContact O-NE2 3.05Å; L164-Q167 PolarHBondContact O-N 2.89Å
168L93.4Very high92.8Very high1 Ų120.1 Ų20.11%0.00511%0.107CC..Iπ-helixtrans-123.7-25.4-167.5-54.1-179.2000113.3V51 L159 L164 G170 K171 N172 N466V51-L168 HydrophobicContact CB-CD2 4.32Å; V51-L168 HydrophobicContact CG1-CD2 3.48Å; V51-L168 VanDerWaalsContact CG1-CD2 3.48Å; V51-L168 HydrophobicContact CG2-CD2 3.79Å; L159-L168 HydrophobicContact CD1-CD1 4.01Å; L159-L168 HydrophobicContact CD1-CG 4.29Å; L159-L168 HydrophobicContact CD2-CD1 3.88Å; L159-L168 HydrophobicContact CG-CD1 4.45Å; L164-L168 HydrophobicContact CG-CB 4.49Å; L164-L168 WeakPolarHBondContact O-CA 3.43Å; L164-L168 PolarHBondContact O-N 3.47Å; L168-G170 VanDerWaalsContact C-N 3.33Å; L168-G170 PolarHBondContact O-N 2.98Å; L168-K171 PolarHBondContact O-N 3.38Å; L168-N172 PolarHBondContact O-N 3.47Å; L168-N466 HydrophobicContact CD1-CB 4.26Å
169G95.4Very high92.9Very high0 Ų020.2 Ų20.20%011%0.108CC..Iπ-helixtrans-56.9-37.7-169.400000115L164 F165 K171 T205 R208L164-G169 PolarHBondContact O-N 3.15Å; F165-G169 WeakPolarHBondContact O-CA 3.34Å; F165-G169 PolarHBondContact O-N 3.27Å; G169-K171 VanDerWaalsContact C-N 3.29Å; G169-K171 PolarHBondContact O-N 3.05Å; G169-T205 WeakPolarHBondContact CA-OG1 3.14Å; G169-T205 WeakPolarHBondContact O-CA 3.36Å; G169-R208 VanDerWaalsContact O-CG 3.26Å; G169-R208 WeakPolarHBondContact O-CG 3.33Å
170G93.8Very high93.2Very high18 Ų1820 Ų2019%0.18611%0.107CC..THydrogen-bonded Turntrans-78.4-5.7176.100000115.5L168 R208L168-G170 VanDerWaalsContact C-N 3.33Å; L168-G170 PolarHBondContact O-N 2.98Å; G170-R208 PolarHBondContact O-NE 2.7Å; G170-R208 VanDerWaalsContact O-NE 3.11Å
171K92.7Very high94Very high70 Ų7014.9 Ų14.930%0.3048%0.079SC..THydrogen-bonded Turntrans-118.2-39.5-167.3-60.3174.9-176.31700113.2L168 G169L168-K171 PolarHBondContact O-N 3.38Å; G169-K171 VanDerWaalsContact C-N 3.29Å; G169-K171 PolarHBondContact O-N 3.05Å
172N95.4Very high94.9Very high3 Ų312.6 Ų12.62%0.0167%0.07CC..SBendtrans-76.2157.1-173.6-78.416.9000113.1L168 F174 R208 N466 D469L168-N172 PolarHBondContact O-N 3.47Å; N172-F174 HydrophobicContact CB-CD2 4.25Å; N172-F174 HydrophobicContact CB-CE1 4.36Å; N172-F174 HydrophobicContact CB-CE2 3.56Å; N172-F174 HydrophobicContact CB-CZ 3.62Å; N172-F174 WeakPolarHBondContact O-CD2 3.2Å; N172-R208 WeakPolarHBondContact O-CD 3.41Å; N172-N466 PolarHBondContact ND2-O 2.83Å; N172-D469 WeakPolarHBondContact CA-OD1 3.3Å
173T95.9Very high95.6Very high42 Ų4215.9 Ų15.926%0.2589%0.086SC..  trans-79.4134.6163-51.40000108.9D469 L471 R472T173-D469 WeakPolarHBondContact CB-OD1 3.48Å; T173-D469 PolarHBondContact N-OD1 3.01Å; T173-D469 PolarHBondContact OG1-OD1 2.95Å; T173-L471 HydrophobicContact CG2-CB 4.38Å; T173-R472 WeakPolarHBondContact OG1-CB 3.4Å
174F97.2Very high95.9Very high8 Ų819.5 Ų19.54%0.03510%0.101CC..  trans-130.2150175.6-63.6-85.2000110.7N154 L164 N172 A176 R208 F209N154-F174 WeakPolarHBondContact OD1-CD1 3.24Å; L164-F174 HydrophobicContact CD2-CE1 4.03Å; L164-F174 HydrophobicContact CD2-CZ 3.88Å; N172-F174 HydrophobicContact CB-CD2 4.25Å; N172-F174 HydrophobicContact CB-CE1 4.36Å; N172-F174 HydrophobicContact CB-CE2 3.56Å; N172-F174 HydrophobicContact CB-CZ 3.62Å; N172-F174 WeakPolarHBondContact O-CD2 3.2Å; F174-A176 HydrophobicContact CB-CB 4.3Å; F174-R208 HydrophobicContact CD2-CB 3.73Å; F174-R208 HydrophobicContact CE2-CB 4.08Å; F174-F209 HydrophobicContact CB-CD1 3.94Å; F174-F209 HydrophobicContact CB-CE1 4.27Å; F174-F209 HydrophobicContact CD1-CD1 4.21Å; F174-F209 AromaticContact CD1-CE1 3.67Å; F174-F209 HydrophobicContact CD1-CE1 3.67Å; F174-F209 AromaticContact CD2-CD1 3.75Å; F174-F209 HydrophobicContact CD2-CD1 3.75Å; F174-F209 AromaticContact CD2-CE1 3.77Å; F174-F209 HydrophobicContact CD2-CE1 3.77Å; F174-F209 AromaticContact CE1-CE1 3.84Å; F174-F209 HydrophobicContact CE1-CE1 3.84Å; F174-F209 HydrophobicContact CE2-CD1 4.27Å; F174-F209 AromaticContact CE2-CE1 3.93Å; F174-F209 HydrophobicContact CE2-CE1 3.93Å; F174-F209 AromaticContact CG-CD1 3.7Å; F174-F209 HydrophobicContact CG-CD1 3.7Å; F174-F209 AromaticContact CG-CE1 3.62Å; F174-F209 HydrophobicContact CG-CE1 3.62Å; F174-F209 AromaticContact CZ-CE1 3.97Å; F174-F209 HydrophobicContact CZ-CE1 3.97Å
175N95.5Very high96Very high20 Ų2022.1 Ų22.111%0.10712%0.115CC..  trans-109.657.6168.8-70.16.5000108.1I180 L471 S477 L479N175-I180 WeakPolarHBondContact O-CD1 3.28Å; N175-L471 HydrophobicContact CB-CD1 4.37Å; N175-S477 VanDerWaalsContact ND2-CB 3.35Å; N175-S477 WeakPolarHBondContact ND2-CB 3.26Å; N175-S477 PolarHBondContact ND2-OG 2.78Å; N175-S477 VanDerWaalsContact ND2-OG 3.13Å; N175-L479 HydrophobicContact CB-CD1 3.61Å
176A98.3Very high96.1Very high0 Ų024.8 Ų24.80%014%0.142CC..  trans-80.5161-171.800000112.4E153 N154 F174 P178 A179 I180 F209E153-A176 HydrophobicContact CB-CB 4.49Å; E153-A176 CarbonylContact O-C 3.55Å; E153-A176 WeakPolarHBondContact O-CA 3.23Å; N154-A176 WeakPolarHBondContact OD1-CB 3.44Å; F174-A176 HydrophobicContact CB-CB 4.3Å; A176-P178 VanDerWaalsContact C-CD 3.42Å; A176-A179 PolarHBondContact O-N 2.9Å; A176-I180 WeakPolarHBondContact O-CG1 3.44Å; A176-I180 PolarHBondContact O-N 3.48Å; A176-F209 HydrophobicContact CB-CB 3.67Å; A176-F209 HydrophobicContact CB-CD1 3.9Å; A176-F209 HydrophobicContact CB-CD2 4.25Å; A176-F209 HydrophobicContact CB-CG 3.7Å
177A98.7Very high96.5Very high0 Ų024.1 Ų24.10%014%0.137CC..Hα-helixtrans-49.9-45.4-178.600000113.5E153 A179 I180 F181 L379E153-A177 PolarHBondContact O-N 3.29Å; A177-A179 PolarHBondContact O-N 3.03Å; A177-I180 PolarHBondContact O-N 2.8Å; A177-I180 VanDerWaalsContact O-N 3.15Å; A177-F181 HydrophobicContact CB-CD2 4.05Å; A177-F181 HydrophobicContact CB-CE2 3.95Å; A177-F181 WeakPolarHBondContact O-CB 3.27Å; A177-F181 WeakPolarHBondContact O-CD2 3.26Å; A177-F181 PolarHBondContact O-N 2.95Å; A177-L379 HydrophobicContact CB-CD1 3.54Å; A177-L379 HydrophobicContact CB-CD2 4.29Å
178P98.7Very high96.9Very high0 Ų023.3 Ų23.30%013%0.134CC..Hα-helixtrans-58.9-45.8177.7-21.232.4000112.2E153 A176 I180 F181 D182 T189 F209 Y211 Y253E153-P178 WeakPolarHBondContact OE2-CD 3.36Å; A176-P178 VanDerWaalsContact C-CD 3.42Å; P178-I180 VanDerWaalsContact C-N 3.35Å; P178-I180 PolarHBondContact O-N 3.25Å; P178-F181 PolarHBondContact O-N 3.44Å; P178-D182 VanDerWaalsContact O-CB 3.28Å; P178-D182 WeakPolarHBondContact O-CB 3.43Å; P178-D182 PolarHBondContact O-N 3.42Å; P178-T189 HydrophobicContact CB-CG2 4.02Å; P178-T189 WeakPolarHBondContact O-CG2 3.18Å; P178-F209 HydrophobicContact CG-CB 4.38Å; P178-Y211 HydrophobicContact CB-CD1 4.11Å; P178-Y211 HydrophobicContact CB-CD2 4.18Å; P178-Y211 HydrophobicContact CB-CE1 4.38Å; P178-Y211 HydrophobicContact CB-CE2 4.43Å; P178-Y211 HydrophobicContact CB-CG 4.01Å; P178-Y211 HydrophobicContact CG-CD1 4Å; P178-Y211 HydrophobicContact CG-CD2 3.49Å; P178-Y211 VanDerWaalsContact CG-CD2 3.49Å; P178-Y211 HydrophobicContact CG-CE1 3.91Å; P178-Y211 HydrophobicContact CG-CE2 3.38Å; P178-Y211 HydrophobicContact CG-CG 3.8Å; P178-Y253 HydrophobicContact CG-CD1 4.38Å; P178-Y253 HydrophobicContact CG-CE1 3.97Å
179A98.4Very high97.2Very high2 Ų223.3 Ų23.32%0.01713%0.134CC..Hα-helixtrans-65.1-37.4176.600000112.4A176 A177 Q183 F209 V482A176-A179 PolarHBondContact O-N 2.9Å; A177-A179 PolarHBondContact O-N 3.03Å; A179-Q183 VanDerWaalsContact O-CB 3.28Å; A179-Q183 WeakPolarHBondContact O-CB 3.25Å; A179-Q183 WeakPolarHBondContact O-CG 3.42Å; A179-Q183 PolarHBondContact O-N 2.83Å; A179-F209 WeakPolarHBondContact CB-O 3.25Å; A179-F209 PolarHBondContact N-O 2.99Å; A179-F209 VanDerWaalsContact N-O 3.16Å; A179-V482 HydrophobicContact CB-CG2 3.97Å
180I98.5Very high97.4Very high0 Ų023.3 Ų23.30%013%0.134CC..Hα-helixtrans-63-54.4175.3-64.9159.2000110.2N175 A176 A177 P178 D182 K184 L383 Y388 L393 L479N175-I180 WeakPolarHBondContact O-CD1 3.28Å; A176-I180 WeakPolarHBondContact O-CG1 3.44Å; A176-I180 PolarHBondContact O-N 3.48Å; A177-I180 PolarHBondContact O-N 2.8Å; A177-I180 VanDerWaalsContact O-N 3.15Å; P178-I180 VanDerWaalsContact C-N 3.35Å; P178-I180 PolarHBondContact O-N 3.25Å; I180-D182 VanDerWaalsContact C-N 3.35Å; I180-D182 PolarHBondContact O-N 2.78Å; I180-K184 WeakPolarHBondContact O-CB 3.42Å; I180-K184 PolarHBondContact O-N 2.78Å; I180-L383 HydrophobicContact CG2-CD2 3.76Å; I180-Y388 HydrophobicContact CG2-CD1 4.5Å; I180-Y388 HydrophobicContact CG2-CE1 4.21Å; I180-L393 HydrophobicContact CD1-CD1 3.6Å; I180-L393 HydrophobicContact CD1-CD2 4.37Å; I180-L393 HydrophobicContact CG1-CD1 4.22Å; I180-L393 HydrophobicContact CG1-CD2 4.46Å; I180-L393 HydrophobicContact CG2-CD1 4.46Å; I180-L479 HydrophobicContact CG1-CD1 3.81Å; I180-L479 HydrophobicContact CG1-CD2 4.43Å
181F98.7Very high97.6Very high0 Ų022.4 Ų22.40%013%0.125CC..Hα-helixtrans-62.1-40.3-177.9-75.1-64.1000112I90 A177 P178 L185 G186 Y187 Y253 L383 V386I90-F181 HydrophobicContact CD1-CD1 3.99Å; I90-F181 HydrophobicContact CD1-CE1 3.31Å; I90-F181 HydrophobicContact CD1-CE2 3.94Å; I90-F181 HydrophobicContact CD1-CZ 3.3Å; A177-F181 HydrophobicContact CB-CD2 4.05Å; A177-F181 HydrophobicContact CB-CE2 3.95Å; A177-F181 WeakPolarHBondContact O-CB 3.27Å; A177-F181 WeakPolarHBondContact O-CD2 3.26Å; A177-F181 PolarHBondContact O-N 2.95Å; P178-F181 PolarHBondContact O-N 3.44Å; F181-L185 HydrophobicContact CD1-CD1 3.63Å; F181-L185 HydrophobicContact CE1-CD1 3.96Å; F181-L185 CarbonylContact O-C 3.51Å; F181-L185 WeakPolarHBondContact O-CA 3.44Å; F181-L185 WeakPolarHBondContact O-CB 3.41Å; F181-L185 PolarHBondContact O-N 2.8Å; F181-G186 PolarHBondContact O-N 3.44Å; F181-Y187 HydrophobicContact CB-CD1 4.29Å; F181-Y187 HydrophobicContact CB-CD2 4.48Å; F181-Y187 HydrophobicContact CB-CG 3.96Å; F181-Y187 HydrophobicContact CD1-CD1 4.17Å; F181-Y187 HydrophobicContact CD1-CD2 4.45Å; F181-Y187 HydrophobicContact CD1-CE1 4.22Å; F181-Y187 HydrophobicContact CD1-CG 4.31Å; F181-Y187 HydrophobicContact CG-CD1 4.45Å; F181-Y187 WeakPolarHBondContact O-CB 3.45Å; F181-Y187 PolarHBondContact O-N 2.87Å; F181-Y253 AromaticContact CD2-CD2 3.63Å; F181-Y253 HydrophobicContact CD2-CD2 3.63Å; F181-Y253 HydrophobicContact CD2-CE2 4.05Å; F181-Y253 AromaticContact CD2-CG 3.91Å; F181-Y253 HydrophobicContact CD2-CG 3.91Å; F181-Y253 AromaticContact CE2-CD2 3.69Å; F181-Y253 HydrophobicContact CE2-CD2 3.69Å; F181-Y253 AromaticContact CE2-CE2 3.8Å; F181-Y253 HydrophobicContact CE2-CE2 3.8Å; F181-Y253 HydrophobicContact CE2-CG 4.43Å; F181-Y253 HydrophobicContact CG-CD2 4.46Å; F181-L383 HydrophobicContact CE1-CD2 4.19Å; F181-L383 HydrophobicContact CZ-CD2 4Å; F181-V386 HydrophobicContact CE1-CG1 4.45Å; F181-V386 HydrophobicContact CE1-CG2 3.99Å
182D98.1Very high97.9Very high52 Ų5219.1 Ų19.128%0.27811%0.111SC..Hα-helixtrans-66-63.3174.5178.720.8000111.5P178 I180 K184 G186 Y187 T189 Q212P178-D182 VanDerWaalsContact O-CB 3.28Å; P178-D182 WeakPolarHBondContact O-CB 3.43Å; P178-D182 PolarHBondContact O-N 3.42Å; I180-D182 VanDerWaalsContact C-N 3.35Å; I180-D182 PolarHBondContact O-N 2.78Å; D182-K184 PolarHBondContact O-N 2.82Å; D182-G186 VanDerWaalsContact O-CA 3.25Å; D182-G186 WeakPolarHBondContact O-CA 3.27Å; D182-G186 PolarHBondContact O-N 2.99Å; D182-Y187 WeakPolarHBondContact CA-O 3.39Å; D182-T189 HydrophobicContact CB-CG2 4.27Å; D182-Q212 PolarHBondContact OD1-NE2 2.9Å; D182-Q212 PolarHBondContact OD2-NE2 3.42Å
183Q97.7Very high98.1Very high71 Ų7119.3 Ų19.333%0.33211%0.112SC..Hα-helixtrans-73-29.9-167.1-62.2-175.331.900113.8A179 L479 S480A179-Q183 VanDerWaalsContact O-CB 3.28Å; A179-Q183 WeakPolarHBondContact O-CB 3.25Å; A179-Q183 WeakPolarHBondContact O-CG 3.42Å; A179-Q183 PolarHBondContact O-N 2.83Å; Q183-L479 HydrophobicContact CB-CD2 4.01Å; Q183-S480 PolarHBondContact NE2-O 2.9Å; Q183-S480 PolarHBondContact OE1-O 2.89Å
184K97.3Very high98.1Very high75 Ų7517.3 Ų17.333%0.32610%0.1SC..Hα-helixtrans-100.3-29-175.6-57.2-61-163.4167.60113.3I180 D182 Y388 S477 G478 L479I180-K184 WeakPolarHBondContact O-CB 3.42Å; I180-K184 PolarHBondContact O-N 2.78Å; D182-K184 PolarHBondContact O-N 2.82Å; K184-Y388 HydrophobicContact CB-CD2 4.4Å; K184-Y388 HydrophobicContact CB-CE2 3.69Å; K184-Y388 HydrophobicContact CG-CE2 4.02Å; K184-S477 WeakPolarHBondContact CE-O 3.06Å; K184-S477 PolarHBondContact NZ-O 3.38Å; K184-G478 WeakPolarHBondContact CE-O 3.43Å; K184-G478 PolarHBondContact NZ-O 3.08Å; K184-L479 HydrophobicContact CD-CD2 4.26Å; K184-L479 HydrophobicContact CG-CD2 3.89Å
185L97.4Very high98.1Very high55 Ų5518 Ų1829%0.28810%0.104SC..Hα-helixtrans-122.9-5.8-171.1-59.9170.5000113.1F181 Y187 V386 Y388F181-L185 HydrophobicContact CD1-CD1 3.63Å; F181-L185 HydrophobicContact CE1-CD1 3.96Å; F181-L185 CarbonylContact O-C 3.51Å; F181-L185 WeakPolarHBondContact O-CA 3.44Å; F181-L185 WeakPolarHBondContact O-CB 3.41Å; F181-L185 PolarHBondContact O-N 2.8Å; L185-Y187 HydrophobicContact CB-CD2 3.57Å; L185-Y187 HydrophobicContact CB-CE2 3.63Å; L185-Y187 HydrophobicContact CD1-CE2 4.47Å; L185-Y187 WeakPolarHBondContact O-CD2 3.22Å; L185-V386 HydrophobicContact CD1-CG2 3.94Å; L185-Y388 HydrophobicContact CD1-CD2 4.4Å; L185-Y388 HydrophobicContact CD1-CG 4.46Å; L185-Y388 HydrophobicContact CD2-CD2 4Å; L185-Y388 HydrophobicContact CG-CD2 4.27Å
186G97.4Very high98.1Very high56 Ų5618.6 Ų18.658%0.57711%0.111SC*.  trans75.723.8175.200000114.8F181 D182F181-G186 PolarHBondContact O-N 3.44Å; D182-G186 VanDerWaalsContact O-CA 3.25Å; D182-G186 WeakPolarHBondContact O-CA 3.27Å; D182-G186 PolarHBondContact O-N 2.99Å
187Y98.7Very high97.9Very high4 Ų418.6 Ų18.62%0.01611%0.112CC..  trans-79.6144-177.7-76.5-132.2000111.5K88 I90 F181 D182 L185 P251 F252K88-Y187 WeakPolarHBondContact O-CE1 3.36Å; K88-Y187 PolarHBondContact O-OH 3.48Å; I90-Y187 HydrophobicContact CD1-CE1 4.04Å; I90-Y187 HydrophobicContact CG1-CE1 4.13Å; F181-Y187 HydrophobicContact CB-CD1 4.29Å; F181-Y187 HydrophobicContact CB-CD2 4.48Å; F181-Y187 HydrophobicContact CB-CG 3.96Å; F181-Y187 HydrophobicContact CD1-CD1 4.17Å; F181-Y187 HydrophobicContact CD1-CD2 4.45Å; F181-Y187 HydrophobicContact CD1-CE1 4.22Å; F181-Y187 HydrophobicContact CD1-CG 4.31Å; F181-Y187 HydrophobicContact CG-CD1 4.45Å; F181-Y187 WeakPolarHBondContact O-CB 3.45Å; F181-Y187 PolarHBondContact O-N 2.87Å; D182-Y187 WeakPolarHBondContact CA-O 3.39Å; L185-Y187 HydrophobicContact CB-CD2 3.57Å; L185-Y187 HydrophobicContact CB-CE2 3.63Å; L185-Y187 HydrophobicContact CD1-CE2 4.47Å; L185-Y187 WeakPolarHBondContact O-CD2 3.22Å; Y187-P251 VanDerWaalsContact CA-O 3.27Å; Y187-P251 WeakPolarHBondContact CA-O 3.4Å; Y187-P251 HydrophobicContact CD1-CB 3.99Å; Y187-P251 HydrophobicContact CD1-CG 4.4Å; Y187-P251 HydrophobicContact CD2-CB 4.12Å; Y187-P251 HydrophobicContact CD2-CG 3.66Å; Y187-P251 HydrophobicContact CE1-CB 3.72Å; Y187-P251 HydrophobicContact CE1-CG 4.31Å; Y187-P251 HydrophobicContact CE2-CB 3.85Å; Y187-P251 HydrophobicContact CE2-CG 3.54Å; Y187-P251 HydrophobicContact CG-CB 4.17Å; Y187-P251 HydrophobicContact CG-CG 4.08Å; Y187-F252 VanDerWaalsContact CD1-C 3.5Å
188T98.7Very high97.7Very high13 Ų1321.9 Ų21.98%0.0813%0.129CC..EExtended strand (participates in β ladder)trans-77.7135.1162.6-53.80000109.7Q212 M248 Q249 P251 F252 Y253 L496T188-Q212 VanDerWaalsContact CA-OE1 3.29Å; T188-M248 HydrophobicContact CG2-CE 3.85Å; T188-Q249 WeakPolarHBondContact CB-O 3.42Å; T188-Q249 WeakPolarHBondContact OG1-CB 3.43Å; T188-Q249 PolarHBondContact OG1-O 3.33Å; T188-Q249 VanDerWaalsContact OG1-O 3.14Å; T188-P251 PolarHBondContact N-O 3.31Å; T188-F252 CarbonylContact O-C 3.56Å; T188-F252 WeakPolarHBondContact O-CA 3.46Å; T188-F252 VanDerWaalsContact O-CB 3.24Å; T188-F252 WeakPolarHBondContact O-CB 3.14Å; T188-Y253 PolarHBondContact O-N 3.08Å; T188-L496 HydrophobicContact CG2-CD2 4.02Å
189T98.9Very high97.4Very high0 Ų023 Ų230%013%0.134CC..EExtended strand (participates in β ladder)trans-118.5132.7-175.266.20000113.3P178 D182 G210 Y211 Q212 H213 Y253P178-T189 HydrophobicContact CB-CG2 4.02Å; P178-T189 WeakPolarHBondContact O-CG2 3.18Å; D182-T189 HydrophobicContact CB-CG2 4.27Å; T189-G210 PolarHBondContact OG1-O 3.34Å; T189-Y211 WeakPolarHBondContact OG1-CA 3.4Å; T189-Q212 PolarHBondContact O-N 2.87Å; T189-Q212 WeakPolarHBondContact OG1-CG 3.49Å; T189-Q212 PolarHBondContact OG1-N 3.39Å; T189-H213 PolarHBondContact O-CD2 3.04Å; T189-H213 PolarHBondContact O-N 3.07Å; T189-Y253 CarbonylContact C-O 3.42Å; T189-Y253 WeakPolarHBondContact CA-O 3.48Å; T189-Y253 HydrophobicContact CG2-CD1 4.45Å
190A98.9Very high97.2Very high0 Ų023.8 Ų23.80%014%0.137CC..EExtended strand (participates in β ladder)trans-145.9146.1178.400000114.1F192 Y211 H213 F215 M248 Y253 A254 K255A190-F192 HydrophobicContact CB-CE2 3.69Å; A190-F192 HydrophobicContact CB-CZ 3.99Å; A190-Y211 VanDerWaalsContact C-CE1 3.4Å; A190-Y211 WeakPolarHBondContact O-CE1 3.39Å; A190-H213 VanDerWaalsContact CA-O 3.3Å; A190-H213 WeakPolarHBondContact CA-O 3Å; A190-H213 HydrophobicContact CB-CB 3.87Å; A190-F215 HydrophobicContact CB-CD2 4.44Å; A190-F215 HydrophobicContact CB-CE2 4.05Å; A190-M248 HydrophobicContact CB-CE 3.37Å; A190-M248 HydrophobicContact CB-SD 3.72Å; A190-Y253 PolarHBondContact N-O 2.75Å; A190-A254 CarbonylContact O-C 3.24Å; A190-A254 VanDerWaalsContact O-CA 3.28Å; A190-A254 WeakPolarHBondContact O-CA 3.34Å; A190-K255 PolarHBondContact O-N 3.36Å
191A98.9Very high97.1Very high0 Ų024.7 Ų24.70%014%0.142CC..EExtended strand (participates in β ladder)trans-113.115016300000110.8Y206 Y211 H213 F214 F215 K255A191-Y206 HydrophobicContact CB-CD2 4.11Å; A191-Y206 HydrophobicContact CB-CE2 3.43Å; A191-Y206 VanDerWaalsContact CB-CE2 3.43Å; A191-Y211 HydrophobicContact CB-CD1 4.27Å; A191-Y211 HydrophobicContact CB-CE1 4.03Å; A191-H213 PolarHBondContact N-O 3.12Å; A191-F214 HydrophobicContact CB-CD2 3.76Å; A191-F214 HydrophobicContact CB-CE2 4.22Å; A191-F214 WeakPolarHBondContact O-CA 3.47Å; A191-F214 WeakPolarHBondContact O-CD2 3.37Å; A191-F215 PolarHBondContact O-N 3.08Å; A191-K255 CarbonylContact C-O 3.53Å; A191-K255 WeakPolarHBondContact CA-O 3.4Å
192F98.9Very high97Very high0 Ų024.9 Ų24.90%014%0.142CC..EExtended strand (participates in β ladder)trans-129.5127.8179.8-59.7-96.2000108.6A190 F215 F237 M248 A254 K255 F256 L257A190-F192 HydrophobicContact CB-CE2 3.69Å; A190-F192 HydrophobicContact CB-CZ 3.99Å; F192-F215 WeakPolarHBondContact CA-O 3.44Å; F192-F215 HydrophobicContact CD1-CB 3.84Å; F192-F215 AromaticContact CD1-CD2 3.51Å; F192-F215 HydrophobicContact CD1-CD2 3.51Å; F192-F215 HydrophobicContact CD1-CE2 4.37Å; F192-F215 AromaticContact CD1-CG 3.94Å; F192-F215 HydrophobicContact CD1-CG 3.94Å; F192-F215 HydrophobicContact CE1-CB 4.3Å; F192-F215 AromaticContact CE1-CD2 3.17Å; F192-F215 HydrophobicContact CE1-CD2 3.17Å; F192-F215 AromaticContact CE1-CE2 3.59Å; F192-F215 HydrophobicContact CE1-CE2 3.59Å; F192-F215 AromaticContact CE1-CG 3.87Å; F192-F215 HydrophobicContact CE1-CG 3.87Å; F192-F215 HydrophobicContact CE2-CD2 4.35Å; F192-F215 HydrophobicContact CG-CD2 4.24Å; F192-F215 AromaticContact CZ-CD2 3.65Å; F192-F215 HydrophobicContact CZ-CD2 3.65Å; F192-F215 AromaticContact CZ-CE2 3.73Å; F192-F215 HydrophobicContact CZ-CE2 3.73Å; F192-F237 HydrophobicContact CB-CE2 3.9Å; F192-F237 HydrophobicContact CB-CZ 3.78Å; F192-F237 WeakPolarHBondContact O-CZ 3.21Å; F192-M248 HydrophobicContact CE2-SD 4.2Å; F192-M248 HydrophobicContact CZ-SD 3.97Å; F192-A254 HydrophobicContact CE2-CB 4Å; F192-K255 PolarHBondContact N-O 2.99Å; F192-F256 HydrophobicContact CB-CD1 3.87Å; F192-F256 HydrophobicContact CB-CE1 4.13Å; F192-F256 HydrophobicContact CB-CG 4.35Å; F192-F256 HydrophobicContact CD1-CE1 4.18Å; F192-F256 HydrophobicContact CD2-CD1 4.18Å; F192-F256 HydrophobicContact CD2-CD2 4.23Å; F192-F256 AromaticContact CD2-CE1 3.89Å; F192-F256 HydrophobicContact CD2-CE1 3.89Å; F192-F256 AromaticContact CD2-CE2 3.92Å; F192-F256 HydrophobicContact CD2-CE2 3.92Å; F192-F256 HydrophobicContact CD2-CG 4.33Å; F192-F256 AromaticContact CD2-CZ 3.72Å; F192-F256 HydrophobicContact CD2-CZ 3.72Å; F192-F256 HydrophobicContact CE2-CE1 4.37Å; F192-F256 HydrophobicContact CE2-CE2 4.07Å; F192-F256 AromaticContact CE2-CZ 3.82Å; F192-F256 HydrophobicContact CE2-CZ 3.82Å; F192-F256 HydrophobicContact CG-CD1 4.04Å; F192-F256 AromaticContact CG-CE1 3.8Å; F192-F256 HydrophobicContact CG-CE1 3.8Å; F192-F256 HydrophobicContact CG-CZ 4.1Å; F192-F256 HydrophobicContact CZ-CZ 4.25Å; F192-L257 PolarHBondContact O-N 2.8Å
193H98.6Very high97Very high7 Ų724.4 Ų24.43%0.03214%0.14CC..EExtended strand (participates in β ladder)trans-155.2131.6176.7-169.340.1000112.2N195 R202 F214 F215 D216 S217 Y220 L257H193-N195 VanDerWaalsContact CD2-CB 3.44Å; H193-N195 WeakPolarHBondContact CD2-CB 3.41Å; H193-N195 WeakPolarHBondContact NE2-CB 3.22Å; H193-N195 PolarHBondContact O-N 2.94Å; H193-R202 PolarHBondContact CD2-NH1 3.44Å; H193-R202 VanDerWaalsContact CD2-NH1 3.34Å; H193-R202 PolarHBondContact NE2-NH1 3.28Å; H193-R202 VanDerWaalsContact NE2-NH1 3.2Å; H193-F214 HydrophobicContact CB-CE2 3.91Å; H193-F214 HydrophobicContact CB-CZ 4.27Å; H193-F215 PolarHBondContact N-O 2.77Å; H193-D216 CarbonylContact O-C 3.55Å; H193-D216 VanDerWaalsContact O-C 3.24Å; H193-D216 VanDerWaalsContact O-CA 3.26Å; H193-D216 WeakPolarHBondContact O-CA 3.44Å; H193-S217 PolarHBondContact O-N 3.13Å; H193-Y220 WeakPolarHBondContact O-CE2 3.42Å; H193-L257 HydrophobicContact CB-CB 3.99Å; H193-L257 HydrophobicContact CB-CD1 4.16Å; H193-L257 WeakPolarHBondContact ND1-CB 3.39Å; H193-L257 PolarHBondContact ND1-O 2.95Å
194G97.4Very high97Very high1 Ų124.9 Ų24.91%0.0114%0.142CC..SBendtrans-73.212.1178.400000116G231 L232G194-G231 CarbonylContact O-C 3.6Å; G194-G231 WeakPolarHBondContact O-CA 3.11Å; G194-L232 PolarHBondContact O-N 3.48Å
195N95.9Very high97Very high22 Ų2221.3 Ų21.312%0.11813%0.126CC..SBendtrans-117.9167.5-179.9-162.3-0.1000111.4H193 G197 S217 Y230H193-N195 VanDerWaalsContact CD2-CB 3.44Å; H193-N195 WeakPolarHBondContact CD2-CB 3.41Å; H193-N195 WeakPolarHBondContact NE2-CB 3.22Å; H193-N195 PolarHBondContact O-N 2.94Å; N195-G197 PolarHBondContact O-N 3.15Å; N195-S217 VanDerWaalsContact C-CB 3.41Å; N195-S217 WeakPolarHBondContact O-CB 3.08Å; N195-S217 PolarHBondContact O-N 3.17Å; N195-S217 PolarHBondContact O-OG 3.12Å; N195-Y230 VanDerWaalsContact CB-O 3.26Å; N195-Y230 WeakPolarHBondContact CB-O 3.43Å; N195-Y230 PolarHBondContact ND2-O 3.49Å; N195-Y230 VanDerWaalsContact ND2-O 3.16Å
196A95.7Very high97.1Very high32 Ų3218.7 Ų18.726%0.26411%0.113SC..  trans-57.4130.7175.900000111.4N198 F199 S217A196-N198 WeakPolarHBondContact CB-OD1 3.48Å; A196-N198 PolarHBondContact O-N 3.02Å; A196-N198 VanDerWaalsContact O-N 3.11Å; A196-F199 VanDerWaalsContact O-CB 3.26Å; A196-F199 WeakPolarHBondContact O-CB 3.38Å; A196-F199 PolarHBondContact O-N 2.76Å; A196-S217 VanDerWaalsContact CA-OG 3.28Å; A196-S217 WeakPolarHBondContact CA-OG 3.43Å; A196-S217 PolarHBondContact N-OG 2.99Å
197G94.9Very high97.1Very high1 Ų117.9 Ų17.91%0.019%0.093CC..THydrogen-bonded Turntrans-67.3-14.8-175.400000114.1N195 F199 R202 N203 F214 D216N195-G197 PolarHBondContact O-N 3.15Å; G197-F199 VanDerWaalsContact C-N 3.34Å; G197-R202 CarbonylContact O-C 3.44Å; G197-R202 WeakPolarHBondContact O-CB 3.33Å; G197-R202 PolarHBondContact O-N 3.25Å; G197-N203 VanDerWaalsContact C-CG 3.44Å; G197-N203 PolarHBondContact O-N 3.22Å; G197-F214 VanDerWaalsContact CA-CE1 3.44Å; G197-D216 WeakPolarHBondContact CA-OD2 3.43Å; G197-D216 PolarHBondContact N-OD2 2.72Å
198N94.2Very high97.1Very high69 Ų6921.5 Ų21.537%0.36911%0.107SC..THydrogen-bonded Turntrans-81.9-11.2173.172.8-19.5000113.3D29 A196 W200 N201D29-N198 PolarHBondContact OD2-ND2 2.8Å; A196-N198 WeakPolarHBondContact CB-OD1 3.48Å; A196-N198 PolarHBondContact O-N 3.02Å; A196-N198 VanDerWaalsContact O-N 3.11Å; N198-W200 PolarHBondContact O-N 3.48Å; N198-N201 WeakPolarHBondContact O-CA 3.39Å; N198-N201 PolarHBondContact O-N 2.9Å
199F92.8Very high97.1Very high24 Ų2420.9 Ų20.911%0.10510%0.103CC..G310 helixtrans-63.5135.8174.8-157.5-88.5000109.4F26 Y30 A196 G197 N201 R202 Y230F26-F199 HydrophobicContact CD2-CE1 4.33Å; F26-F199 AromaticContact CD2-CE2 3.87Å; F26-F199 HydrophobicContact CD2-CE2 3.87Å; F26-F199 AromaticContact CD2-CZ 3.57Å; F26-F199 HydrophobicContact CD2-CZ 3.57Å; F26-F199 HydrophobicContact CE2-CE2 4.17Å; F26-F199 HydrophobicContact CE2-CZ 4.11Å; Y30-F199 HydrophobicContact CE2-CE2 4.36Å; A196-F199 VanDerWaalsContact O-CB 3.26Å; A196-F199 WeakPolarHBondContact O-CB 3.38Å; A196-F199 PolarHBondContact O-N 2.76Å; G197-F199 VanDerWaalsContact C-N 3.34Å; F199-N201 PolarHBondContact O-N 3.13Å; F199-N201 VanDerWaalsContact O-N 3.07Å; F199-R202 WeakPolarHBondContact O-CG 3.49Å; F199-R202 PolarHBondContact O-N 2.92Å; F199-Y230 HydrophobicContact CZ-CD1 4.43Å
200W93.7Very high97.1Very high18 Ų1821.1 Ų21.17%0.06811%0.106CC..G310 helixtrans54.315.9-165.8-69.5123.6000115F26 G143 K144 S163 F165 N198 R202F26-W200 HydrophobicContact CB-CD2 3.9Å; F26-W200 HydrophobicContact CB-CE3 3.62Å; F26-W200 HydrophobicContact CB-CH2 3.27Å; F26-W200 HydrophobicContact CB-CZ2 3.54Å; F26-W200 HydrophobicContact CB-CZ3 3.29Å; F26-W200 VanDerWaalsContact O-CA 3.25Å; F26-W200 WeakPolarHBondContact O-CA 3.35Å; F26-W200 PolarHBondContact O-N 3.48Å; G143-W200 WeakPolarHBondContact O-CH2 3.41Å; G143-W200 WeakPolarHBondContact O-CZ2 3.36Å; K144-W200 HydrophobicContact CB-CZ2 4.17Å; S163-W200 VanDerWaalsContact CB-CZ3 3.46Å; F165-W200 WeakPolarHBondContact CB-O 3.47Å; F165-W200 HydrophobicContact CD2-CB 4.43Å; F165-W200 WeakPolarHBondContact CD2-O 3.28Å; N198-W200 PolarHBondContact O-N 3.48Å; W200-R202 HydrophobicContact CB-CG 4.39Å; W200-R202 PolarHBondContact O-N 2.83Å
201N95.5Very high97Very high19 Ų1921.1 Ų21.110%0.10211%0.106CC..G310 helixtrans60.926.5-174.3-167.148.6000114.3F165 N198 F199 N203 E204 T205F165-N201 PolarHBondContact O-ND2 3.11Å; N198-N201 WeakPolarHBondContact O-CA 3.39Å; N198-N201 PolarHBondContact O-N 2.9Å; F199-N201 PolarHBondContact O-N 3.13Å; F199-N201 VanDerWaalsContact O-N 3.07Å; N201-N203 VanDerWaalsContact C-N 3.32Å; N201-N203 PolarHBondContact O-N 3.31Å; N201-E204 PolarHBondContact O-N 3.47Å; N201-T205 PolarHBondContact O-N 2.86Å; N201-T205 PolarHBondContact O-OG1 2.84Å; N201-T205 VanDerWaalsContact O-OG1 3.12Å
202R97.9Very high97Very high4 Ų423.6 Ų23.62%0.01512%0.117CC..Hα-helixtrans-56.7-40.4-177.6-73.7-177.4-176.2117.4-6.3113.5E149 F165 H193 G197 F199 W200 E204 T205 Y206 F214E149-R202 IonicContact OE1-CZ 2.63Å; E149-R202 VanDerWaalsContact OE1-CZ 3.25Å; E149-R202 IonicContact OE1-NE 3.13Å; E149-R202 PolarHBondContact OE1-NE 3.12Å; E149-R202 IonicContact OE1-NH2 2.93Å; E149-R202 PolarHBondContact OE1-NH2 2.83Å; E149-R202 IonicContact OE2-NE 3.1Å; F165-R202 HydrophobicContact CD2-CG 4.07Å; F165-R202 HydrophobicContact CE2-CG 3.95Å; H193-R202 PolarHBondContact CD2-NH1 3.44Å; H193-R202 VanDerWaalsContact CD2-NH1 3.34Å; H193-R202 PolarHBondContact NE2-NH1 3.28Å; H193-R202 VanDerWaalsContact NE2-NH1 3.2Å; G197-R202 CarbonylContact O-C 3.44Å; G197-R202 WeakPolarHBondContact O-CB 3.33Å; G197-R202 PolarHBondContact O-N 3.25Å; F199-R202 WeakPolarHBondContact O-CG 3.49Å; F199-R202 PolarHBondContact O-N 2.92Å; W200-R202 HydrophobicContact CB-CG 4.39Å; W200-R202 PolarHBondContact O-N 2.83Å; R202-E204 PolarHBondContact O-N 2.85Å; R202-E204 VanDerWaalsContact O-N 3.14Å; R202-T205 PolarHBondContact O-N 3.43Å; R202-Y206 HydrophobicContact CB-CD1 4.47Å; R202-Y206 HydrophobicContact CB-CD2 4.18Å; R202-Y206 HydrophobicContact CB-CE1 4.39Å; R202-Y206 HydrophobicContact CB-CE2 4.09Å; R202-Y206 HydrophobicContact CB-CG 4.39Å; R202-Y206 HydrophobicContact CG-CE1 4.16Å; R202-Y206 HydrophobicContact CG-CE2 4.35Å; R202-Y206 WeakPolarHBondContact O-CB 3.19Å; R202-Y206 VanDerWaalsContact O-CG 3.32Å; R202-Y206 PolarHBondContact O-N 3.43Å; R202-F214 HydrophobicContact CB-CE1 3.89Å; R202-F214 HydrophobicContact CB-CZ 4.23Å
203N96.9Very high97Very high41 Ų4123.9 Ų23.922%0.21912%0.118CC..Hα-helixtrans-55.7-33.1179.4-88.3-16.4000113.9G197 N201 K207 F214 Y489G197-N203 VanDerWaalsContact C-CG 3.44Å; G197-N203 PolarHBondContact O-N 3.22Å; N201-N203 VanDerWaalsContact C-N 3.32Å; N201-N203 PolarHBondContact O-N 3.31Å; N203-K207 WeakPolarHBondContact O-CD 3.15Å; N203-K207 VanDerWaalsContact O-CE 3.24Å; N203-K207 WeakPolarHBondContact O-CE 3.32Å; N203-K207 WeakPolarHBondContact O-CG 3.45Å; N203-F214 WeakPolarHBondContact OD1-CD1 3.45Å; N203-Y489 WeakPolarHBondContact O-CE2 3.37Å
204E97.5Very high97Very high81 Ų8123.5 Ų23.538%0.37912%0.117SC..Hα-helixtrans-93-38.8178-59-51.4135.600111.5N201 R202 K207 R208N201-E204 PolarHBondContact O-N 3.47Å; R202-E204 PolarHBondContact O-N 2.85Å; R202-E204 VanDerWaalsContact O-N 3.14Å; E204-K207 PolarHBondContact O-N 3.22Å; E204-K207 IonicContact OE1-NZ 2.97Å; E204-K207 PolarHBondContact OE1-NZ 3.5Å; E204-K207 IonicContact OE2-NZ 3.63Å; E204-K207 PolarHBondContact OE2-NZ 2.84Å; E204-K207 VanDerWaalsContact OE2-NZ 3.1Å; E204-R208 PolarHBondContact O-N 3.47Å
205T98.3Very high97.1Very high0 Ų023.5 Ų23.50%012%0.116CC..Hα-helixtrans-66-44.4178.8-51.80000112.5F165 G169 N201 R202 K207 R208 F209F165-T205 HydrophobicContact CB-CG2 4.43Å; F165-T205 HydrophobicContact CD1-CG2 3.68Å; F165-T205 HydrophobicContact CD2-CG2 3.94Å; F165-T205 HydrophobicContact CE1-CG2 3.74Å; F165-T205 HydrophobicContact CE2-CG2 4.01Å; F165-T205 HydrophobicContact CG-CG2 3.76Å; F165-T205 HydrophobicContact CZ-CG2 3.9Å; F165-T205 PolarHBondContact O-OG1 3.35Å; G169-T205 WeakPolarHBondContact CA-OG1 3.14Å; G169-T205 WeakPolarHBondContact O-CA 3.36Å; N201-T205 PolarHBondContact O-N 2.86Å; N201-T205 PolarHBondContact O-OG1 2.84Å; N201-T205 VanDerWaalsContact O-OG1 3.12Å; R202-T205 PolarHBondContact O-N 3.43Å; T205-K207 VanDerWaalsContact C-N 3.25Å; T205-K207 PolarHBondContact O-N 3.34Å; T205-R208 CarbonylContact O-C 3.51Å; T205-R208 WeakPolarHBondContact O-CA 3.33Å; T205-R208 WeakPolarHBondContact O-CB 3.46Å; T205-R208 PolarHBondContact O-N 3.27Å; T205-F209 HydrophobicContact CG2-CD1 4.02Å; T205-F209 HydrophobicContact CG2-CD2 4.45Å; T205-F209 HydrophobicContact CG2-CE1 3.61Å; T205-F209 HydrophobicContact CG2-CE2 4.09Å; T205-F209 HydrophobicContact CG2-CG 4.43Å; T205-F209 HydrophobicContact CG2-CZ 3.65Å; T205-F209 PolarHBondContact O-N 2.91Å
206Y98.7Very high97.2Very high0 Ų023.3 Ų23.30%012%0.116CC..Hα-helixtrans-62.9-32.1-180-75.4-2.3000112.9E149 F165 A191 R202 R208 F209 G210 Y211 F214 K255 L257 Y489E149-Y206 WeakPolarHBondContact OE2-CE1 3.42Å; E149-Y206 PolarHBondContact OE2-OH 2.88Å; F165-Y206 HydrophobicContact CE2-CD1 4.33Å; F165-Y206 AromaticContact CE2-CE1 3.93Å; F165-Y206 HydrophobicContact CE2-CE1 3.93Å; F165-Y206 HydrophobicContact CZ-CE1 4.26Å; A191-Y206 HydrophobicContact CB-CD2 4.11Å; A191-Y206 HydrophobicContact CB-CE2 3.43Å; A191-Y206 VanDerWaalsContact CB-CE2 3.43Å; R202-Y206 HydrophobicContact CB-CD1 4.47Å; R202-Y206 HydrophobicContact CB-CD2 4.18Å; R202-Y206 HydrophobicContact CB-CE1 4.39Å; R202-Y206 HydrophobicContact CB-CE2 4.09Å; R202-Y206 HydrophobicContact CB-CG 4.39Å; R202-Y206 HydrophobicContact CG-CE1 4.16Å; R202-Y206 HydrophobicContact CG-CE2 4.35Å; R202-Y206 WeakPolarHBondContact O-CB 3.19Å; R202-Y206 VanDerWaalsContact O-CG 3.32Å; R202-Y206 PolarHBondContact O-N 3.43Å; Y206-R208 VanDerWaalsContact C-N 3.27Å; Y206-R208 PolarHBondContact O-N 3.48Å; Y206-F209 HydrophobicContact CD1-CD2 4.33Å; Y206-F209 PolarHBondContact O-N 3.39Å; Y206-G210 PolarHBondContact O-N 2.88Å; Y206-Y211 AromaticContact CD1-CD2 3.92Å; Y206-Y211 HydrophobicContact CD1-CD2 3.92Å; Y206-Y211 HydrophobicContact CD1-CE2 4.2Å; Y206-Y211 HydrophobicContact CD2-CD2 4.23Å; Y206-Y211 HydrophobicContact CE1-CD2 4.33Å; Y206-Y211 HydrophobicContact CE1-CE2 4.17Å; Y206-Y211 AromaticContact CG-CD2 3.83Å; Y206-Y211 HydrophobicContact CG-CD2 3.83Å; Y206-Y211 HydrophobicContact CG-CE2 4.46Å; Y206-Y211 PolarHBondContact O-N 3.25Å; Y206-F214 HydrophobicContact CD2-CB 4.28Å; Y206-F214 AromaticContact CD2-CD1 3.74Å; Y206-F214 HydrophobicContact CD2-CD1 3.74Å; Y206-F214 HydrophobicContact CD2-CD2 4.07Å; Y206-F214 HydrophobicContact CD2-CE1 4.01Å; Y206-F214 HydrophobicContact CD2-CE2 4.35Å; Y206-F214 AromaticContact CD2-CG 3.78Å; Y206-F214 HydrophobicContact CD2-CG 3.78Å; Y206-F214 HydrophobicContact CD2-CZ 4.32Å; Y206-F214 HydrophobicContact CE2-CD1 4.12Å; Y206-F214 AromaticContact CE2-CD2 3.83Å; Y206-F214 HydrophobicContact CE2-CD2 3.83Å; Y206-F214 HydrophobicContact CE2-CE1 4.03Å; Y206-F214 AromaticContact CE2-CE2 3.78Å; Y206-F214 HydrophobicContact CE2-CE2 3.78Å; Y206-F214 HydrophobicContact CE2-CG 4.03Å; Y206-F214 AromaticContact CE2-CZ 3.88Å; Y206-F214 HydrophobicContact CE2-CZ 3.88Å; Y206-K255 VanDerWaalsContact OH-CE 3.26Å; Y206-K255 WeakPolarHBondContact OH-CE 3.5Å; Y206-K255 PolarHBondContact OH-NZ 3.49Å; Y206-K255 VanDerWaalsContact OH-NZ 3.13Å; Y206-L257 VanDerWaalsContact OH-CD1 3.27Å; Y206-L257 WeakPolarHBondContact OH-CD1 3.45Å; Y206-Y489 VanDerWaalsContact CB-OH 3.23Å; Y206-Y489 WeakPolarHBondContact CB-OH 3.45Å; Y206-Y489 PolarHBondContact O-OH 3.39Å
207K98.3Very high97.3Very high40 Ų4023 Ų2317%0.17411%0.111CC..Hα-helixtrans-62.9-41.2173.4-68.9172.6-169.3158.50109.9N203 E204 T205 G210 V482 V484 I487 Y489N203-K207 WeakPolarHBondContact O-CD 3.15Å; N203-K207 VanDerWaalsContact O-CE 3.24Å; N203-K207 WeakPolarHBondContact O-CE 3.32Å; N203-K207 WeakPolarHBondContact O-CG 3.45Å; E204-K207 PolarHBondContact O-N 3.22Å; E204-K207 IonicContact OE1-NZ 2.97Å; E204-K207 PolarHBondContact OE1-NZ 3.5Å; E204-K207 IonicContact OE2-NZ 3.63Å; E204-K207 PolarHBondContact OE2-NZ 2.84Å; E204-K207 VanDerWaalsContact OE2-NZ 3.1Å; T205-K207 VanDerWaalsContact C-N 3.25Å; T205-K207 PolarHBondContact O-N 3.34Å; K207-G210 PolarHBondContact O-N 3.4Å; K207-V482 WeakPolarHBondContact O-CG1 3.18Å; K207-V484 HydrophobicContact CB-CB 4.18Å; K207-V484 HydrophobicContact CB-CG1 4.03Å; K207-I487 HydrophobicContact CB-CD1 4.47Å; K207-I487 HydrophobicContact CG-CB 4.17Å; K207-I487 HydrophobicContact CG-CG2 3.93Å; K207-Y489 VanDerWaalsContact CA-OH 3.3Å; K207-Y489 WeakPolarHBondContact CA-OH 3.24Å; K207-Y489 HydrophobicContact CG-CE2 3.73Å; K207-Y489 PolarHBondContact N-OH 3.25Å
208R98Very high97.4Very high80 Ų8027.2 Ų27.230%0.30214%0.14SC..Hα-helixtrans-71.7-30.9177.8-61.6-72.6-177.8-170.31.5112.5G169 G170 N172 F174 E204 T205 Y206 G210 V484G169-R208 VanDerWaalsContact O-CG 3.26Å; G169-R208 WeakPolarHBondContact O-CG 3.33Å; G170-R208 PolarHBondContact O-NE 2.7Å; G170-R208 VanDerWaalsContact O-NE 3.11Å; N172-R208 WeakPolarHBondContact O-CD 3.41Å; F174-R208 HydrophobicContact CD2-CB 3.73Å; F174-R208 HydrophobicContact CE2-CB 4.08Å; E204-R208 PolarHBondContact O-N 3.47Å; T205-R208 CarbonylContact O-C 3.51Å; T205-R208 WeakPolarHBondContact O-CA 3.33Å; T205-R208 WeakPolarHBondContact O-CB 3.46Å; T205-R208 PolarHBondContact O-N 3.27Å; Y206-R208 VanDerWaalsContact C-N 3.27Å; Y206-R208 PolarHBondContact O-N 3.48Å; R208-G210 PolarHBondContact O-N 3.19Å; R208-V484 HydrophobicContact CG-CG1 4.28Å
209F98.6Very high97.6Very high0 Ų025.2 Ų25.20%013%0.128CC..Hα-helixtrans-72-17.5172.2-735.4000113.1E153 N154 F165 F174 A176 P178 A179 T205 Y206 Y211E153-F209 HydrophobicContact CB-CD2 4.03Å; E153-F209 HydrophobicContact CB-CE2 3.87Å; E153-F209 HydrophobicContact CG-CD2 4.24Å; E153-F209 HydrophobicContact CG-CE2 4.12Å; N154-F209 WeakPolarHBondContact ND2-CZ 3.47Å; F165-F209 HydrophobicContact CD1-CZ 4.43Å; F165-F209 AromaticContact CE1-CE2 3.7Å; F165-F209 HydrophobicContact CE1-CE2 3.7Å; F165-F209 AromaticContact CE1-CZ 3.53Å; F165-F209 HydrophobicContact CE1-CZ 3.53Å; F165-F209 AromaticContact CZ-CE2 3.58Å; F165-F209 HydrophobicContact CZ-CE2 3.58Å; F165-F209 AromaticContact CZ-CZ 3.91Å; F165-F209 HydrophobicContact CZ-CZ 3.91Å; F174-F209 HydrophobicContact CB-CD1 3.94Å; F174-F209 HydrophobicContact CB-CE1 4.27Å; F174-F209 HydrophobicContact CD1-CD1 4.21Å; F174-F209 AromaticContact CD1-CE1 3.67Å; F174-F209 HydrophobicContact CD1-CE1 3.67Å; F174-F209 AromaticContact CD2-CD1 3.75Å; F174-F209 HydrophobicContact CD2-CD1 3.75Å; F174-F209 AromaticContact CD2-CE1 3.77Å; F174-F209 HydrophobicContact CD2-CE1 3.77Å; F174-F209 AromaticContact CE1-CE1 3.84Å; F174-F209 HydrophobicContact CE1-CE1 3.84Å; F174-F209 HydrophobicContact CE2-CD1 4.27Å; F174-F209 AromaticContact CE2-CE1 3.93Å; F174-F209 HydrophobicContact CE2-CE1 3.93Å; F174-F209 AromaticContact CG-CD1 3.7Å; F174-F209 HydrophobicContact CG-CD1 3.7Å; F174-F209 AromaticContact CG-CE1 3.62Å; F174-F209 HydrophobicContact CG-CE1 3.62Å; F174-F209 AromaticContact CZ-CE1 3.97Å; F174-F209 HydrophobicContact CZ-CE1 3.97Å; A176-F209 HydrophobicContact CB-CB 3.67Å; A176-F209 HydrophobicContact CB-CD1 3.9Å; A176-F209 HydrophobicContact CB-CD2 4.25Å; A176-F209 HydrophobicContact CB-CG 3.7Å; P178-F209 HydrophobicContact CG-CB 4.38Å; A179-F209 WeakPolarHBondContact CB-O 3.25Å; A179-F209 PolarHBondContact N-O 2.99Å; A179-F209 VanDerWaalsContact N-O 3.16Å; T205-F209 HydrophobicContact CG2-CD1 4.02Å; T205-F209 HydrophobicContact CG2-CD2 4.45Å; T205-F209 HydrophobicContact CG2-CE1 3.61Å; T205-F209 HydrophobicContact CG2-CE2 4.09Å; T205-F209 HydrophobicContact CG2-CG 4.43Å; T205-F209 HydrophobicContact CG2-CZ 3.65Å; T205-F209 PolarHBondContact O-N 2.91Å; Y206-F209 HydrophobicContact CD1-CD2 4.33Å; Y206-F209 PolarHBondContact O-N 3.39Å; F209-Y211 HydrophobicContact CB-CD2 4.38Å
210G98.4Very high97.9Very high5 Ų524.8 Ų24.85%0.05213%0.126CC..THydrogen-bonded Turntrans85.220.4-178.700000114.6T189 Y206 K207 R208 Q212T189-G210 PolarHBondContact OG1-O 3.34Å; Y206-G210 PolarHBondContact O-N 2.88Å; K207-G210 PolarHBondContact O-N 3.4Å; R208-G210 PolarHBondContact O-N 3.19Å; G210-Q212 PolarHBondContact O-N 3.19Å
211Y98.8Very high98Very high0 Ų027.7 Ų27.70%015%0.149CC..  trans-62.7120.9165.6-88.9-71.8000109.2E153 P178 T189 A190 A191 Y206 F209 Y253 K255 Y489E153-Y211 PolarHBondContact OE1-OH 2.98Å; P178-Y211 HydrophobicContact CB-CD1 4.11Å; P178-Y211 HydrophobicContact CB-CD2 4.18Å; P178-Y211 HydrophobicContact CB-CE1 4.38Å; P178-Y211 HydrophobicContact CB-CE2 4.43Å; P178-Y211 HydrophobicContact CB-CG 4.01Å; P178-Y211 HydrophobicContact CG-CD1 4Å; P178-Y211 HydrophobicContact CG-CD2 3.49Å; P178-Y211 VanDerWaalsContact CG-CD2 3.49Å; P178-Y211 HydrophobicContact CG-CE1 3.91Å; P178-Y211 HydrophobicContact CG-CE2 3.38Å; P178-Y211 HydrophobicContact CG-CG 3.8Å; T189-Y211 WeakPolarHBondContact OG1-CA 3.4Å; A190-Y211 VanDerWaalsContact C-CE1 3.4Å; A190-Y211 WeakPolarHBondContact O-CE1 3.39Å; A191-Y211 HydrophobicContact CB-CD1 4.27Å; A191-Y211 HydrophobicContact CB-CE1 4.03Å; Y206-Y211 AromaticContact CD1-CD2 3.92Å; Y206-Y211 HydrophobicContact CD1-CD2 3.92Å; Y206-Y211 HydrophobicContact CD1-CE2 4.2Å; Y206-Y211 HydrophobicContact CD2-CD2 4.23Å; Y206-Y211 HydrophobicContact CE1-CD2 4.33Å; Y206-Y211 HydrophobicContact CE1-CE2 4.17Å; Y206-Y211 AromaticContact CG-CD2 3.83Å; Y206-Y211 HydrophobicContact CG-CD2 3.83Å; Y206-Y211 HydrophobicContact CG-CE2 4.46Å; Y206-Y211 PolarHBondContact O-N 3.25Å; F209-Y211 HydrophobicContact CB-CD2 4.38Å; Y211-Y253 AromaticContact CE1-CD1 4Å; Y211-Y253 HydrophobicContact CE1-CD1 4Å; Y211-Y253 AromaticContact CE1-CE1 3.88Å; Y211-Y253 HydrophobicContact CE1-CE1 3.88Å; Y211-Y253 AromaticContact CZ-CE1 3.74Å; Y211-Y253 VanDerWaalsContact OH-CE1 3.25Å; Y211-Y253 WeakPolarHBondContact OH-CE1 3.46Å; Y211-K255 WeakPolarHBondContact OH-CB 3.4Å; Y211-K255 VanDerWaalsContact OH-CE 3.27Å; Y211-K255 WeakPolarHBondContact OH-CE 3.43Å; Y211-Y489 VanDerWaalsContact O-CE1 3.32Å; Y211-Y489 WeakPolarHBondContact O-CE1 3.38Å; Y211-Y489 PolarHBondContact O-OH 2.81Å
212Q98.5Very high98Very high52 Ų5230.1 Ų30.124%0.24316%0.161CC..SBendtrans-72.8-33.6177.9-65.8169.3-30.900111.2D182 T188 T189 G210D182-Q212 PolarHBondContact OD1-NE2 2.9Å; D182-Q212 PolarHBondContact OD2-NE2 3.42Å; T188-Q212 VanDerWaalsContact CA-OE1 3.29Å; T189-Q212 PolarHBondContact O-N 2.87Å; T189-Q212 WeakPolarHBondContact OG1-CG 3.49Å; T189-Q212 PolarHBondContact OG1-N 3.39Å; G210-Q212 PolarHBondContact O-N 3.19Å
213H98.8Very high97.7Very high5 Ų533.6 Ų33.62%0.02318%0.18CC..EExtended strand (participates in β ladder)trans-130.5144-178.3-54.9-66000112.2T189 A190 A191 F215 S492 L496T189-H213 PolarHBondContact O-CD2 3.04Å; T189-H213 PolarHBondContact O-N 3.07Å; A190-H213 VanDerWaalsContact CA-O 3.3Å; A190-H213 WeakPolarHBondContact CA-O 3Å; A190-H213 HydrophobicContact CB-CB 3.87Å; A191-H213 PolarHBondContact N-O 3.12Å; H213-F215 HydrophobicContact CB-CE2 3.93Å; H213-F215 HydrophobicContact CB-CZ 4.26Å; H213-S492 PolarHBondContact ND1-O 2.91Å; H213-L496 VanDerWaalsContact NE2-CD2 3.29Å; H213-L496 WeakPolarHBondContact NE2-CD2 3.47Å
214F98.8Very high97.3Very high0 Ų039.4 Ų39.40%021%0.211CC..EExtended strand (participates in β ladder)trans-139.8121.1167.5-176.7-155.2000108.7A191 H193 G197 R202 N203 Y206 D216 Y489 S492A191-F214 HydrophobicContact CB-CD2 3.76Å; A191-F214 HydrophobicContact CB-CE2 4.22Å; A191-F214 WeakPolarHBondContact O-CA 3.47Å; A191-F214 WeakPolarHBondContact O-CD2 3.37Å; H193-F214 HydrophobicContact CB-CE2 3.91Å; H193-F214 HydrophobicContact CB-CZ 4.27Å; G197-F214 VanDerWaalsContact CA-CE1 3.44Å; R202-F214 HydrophobicContact CB-CE1 3.89Å; R202-F214 HydrophobicContact CB-CZ 4.23Å; N203-F214 WeakPolarHBondContact OD1-CD1 3.45Å; Y206-F214 HydrophobicContact CD2-CB 4.28Å; Y206-F214 AromaticContact CD2-CD1 3.74Å; Y206-F214 HydrophobicContact CD2-CD1 3.74Å; Y206-F214 HydrophobicContact CD2-CD2 4.07Å; Y206-F214 HydrophobicContact CD2-CE1 4.01Å; Y206-F214 HydrophobicContact CD2-CE2 4.35Å; Y206-F214 AromaticContact CD2-CG 3.78Å; Y206-F214 HydrophobicContact CD2-CG 3.78Å; Y206-F214 HydrophobicContact CD2-CZ 4.32Å; Y206-F214 HydrophobicContact CE2-CD1 4.12Å; Y206-F214 AromaticContact CE2-CD2 3.83Å; Y206-F214 HydrophobicContact CE2-CD2 3.83Å; Y206-F214 HydrophobicContact CE2-CE1 4.03Å; Y206-F214 AromaticContact CE2-CE2 3.78Å; Y206-F214 HydrophobicContact CE2-CE2 3.78Å; Y206-F214 HydrophobicContact CE2-CG 4.03Å; Y206-F214 AromaticContact CE2-CZ 3.88Å; Y206-F214 HydrophobicContact CE2-CZ 3.88Å; F214-D216 HydrophobicContact CD1-CB 4.33Å; F214-D216 HydrophobicContact CE1-CB 3.94Å; F214-D216 HydrophobicContact CE2-CB 4.19Å; F214-D216 HydrophobicContact CZ-CB 3.85Å; F214-Y489 HydrophobicContact CB-CD1 3.69Å; F214-Y489 HydrophobicContact CB-CD2 3.87Å; F214-Y489 HydrophobicContact CB-CE1 3.94Å; F214-Y489 HydrophobicContact CB-CE2 4.11Å; F214-Y489 HydrophobicContact CB-CG 3.67Å; F214-Y489 HydrophobicContact CD1-CD2 4.15Å; F214-Y489 HydrophobicContact CD1-CE2 4.4Å; F214-S492 PolarHBondContact N-OG 3.3Å; F214-S492 PolarHBondContact O-OG 3.46Å
215F98.8Very high96.9Very high0 Ų044.1 Ų44.10%023%0.23CC..EExtended strand (participates in β ladder)trans-101.490.2174.2-56.1-81.8000107.3A190 A191 F192 H193 H213 Y219 Y220 Y244 L496A190-F215 HydrophobicContact CB-CD2 4.44Å; A190-F215 HydrophobicContact CB-CE2 4.05Å; A191-F215 PolarHBondContact O-N 3.08Å; F192-F215 WeakPolarHBondContact CA-O 3.44Å; F192-F215 HydrophobicContact CD1-CB 3.84Å; F192-F215 AromaticContact CD1-CD2 3.51Å; F192-F215 HydrophobicContact CD1-CD2 3.51Å; F192-F215 HydrophobicContact CD1-CE2 4.37Å; F192-F215 AromaticContact CD1-CG 3.94Å; F192-F215 HydrophobicContact CD1-CG 3.94Å; F192-F215 HydrophobicContact CE1-CB 4.3Å; F192-F215 AromaticContact CE1-CD2 3.17Å; F192-F215 HydrophobicContact CE1-CD2 3.17Å; F192-F215 AromaticContact CE1-CE2 3.59Å; F192-F215 HydrophobicContact CE1-CE2 3.59Å; F192-F215 AromaticContact CE1-CG 3.87Å; F192-F215 HydrophobicContact CE1-CG 3.87Å; F192-F215 HydrophobicContact CE2-CD2 4.35Å; F192-F215 HydrophobicContact CG-CD2 4.24Å; F192-F215 AromaticContact CZ-CD2 3.65Å; F192-F215 HydrophobicContact CZ-CD2 3.65Å; F192-F215 AromaticContact CZ-CE2 3.73Å; F192-F215 HydrophobicContact CZ-CE2 3.73Å; H193-F215 PolarHBondContact N-O 2.77Å; H213-F215 HydrophobicContact CB-CE2 3.93Å; H213-F215 HydrophobicContact CB-CZ 4.26Å; F215-Y219 HydrophobicContact CB-CD2 4.35Å; F215-Y219 HydrophobicContact CB-CG 4.34Å; F215-Y219 AromaticContact CD1-CD1 3.76Å; F215-Y219 HydrophobicContact CD1-CD1 3.76Å; F215-Y219 HydrophobicContact CD1-CD2 4.21Å; F215-Y219 AromaticContact CD1-CE1 3.99Å; F215-Y219 HydrophobicContact CD1-CE1 3.99Å; F215-Y219 HydrophobicContact CD1-CE2 4.39Å; F215-Y219 AromaticContact CD1-CG 3.87Å; F215-Y219 HydrophobicContact CD1-CG 3.87Å; F215-Y219 HydrophobicContact CE1-CD1 4.34Å; F215-Y219 HydrophobicContact CE1-CE1 4.24Å; F215-Y220 HydrophobicContact CB-CE2 4.43Å; F215-Y220 WeakPolarHBondContact O-CE2 3.44Å; F215-Y244 AromaticContact CD1-CD1 3.97Å; F215-Y244 HydrophobicContact CD1-CD1 3.97Å; F215-Y244 AromaticContact CD1-CD2 3.96Å; F215-Y244 HydrophobicContact CD1-CD2 3.96Å; F215-Y244 HydrophobicContact CD1-CE1 4.45Å; F215-Y244 HydrophobicContact CD1-CE2 4.46Å; F215-Y244 AromaticContact CD1-CG 3.71Å; F215-Y244 HydrophobicContact CD1-CG 3.71Å; F215-Y244 AromaticContact CE1-CD1 3.75Å; F215-Y244 HydrophobicContact CE1-CD1 3.75Å; F215-Y244 HydrophobicContact CE1-CD2 4.47Å; F215-Y244 HydrophobicContact CE1-CE1 4.47Å; F215-Y244 AromaticContact CE1-CG 3.76Å; F215-Y244 HydrophobicContact CE1-CG 3.76Å; F215-Y244 HydrophobicContact CG-CD2 4.28Å; F215-Y244 HydrophobicContact CG-CG 4.27Å; F215-Y244 HydrophobicContact CZ-CG 4.35Å; F215-L496 HydrophobicContact CZ-CD1 3.82Å
216D98.3Very high96.7Very high19 Ų1945.2 Ų45.210%0.10224%0.237CC..  trans-88.4-176.8174.382.5-22.8000110.8H193 G197 F214 S218 Y219 Y220H193-D216 CarbonylContact O-C 3.55Å; H193-D216 VanDerWaalsContact O-C 3.24Å; H193-D216 VanDerWaalsContact O-CA 3.26Å; H193-D216 WeakPolarHBondContact O-CA 3.44Å; G197-D216 WeakPolarHBondContact CA-OD2 3.43Å; G197-D216 PolarHBondContact N-OD2 2.72Å; F214-D216 HydrophobicContact CD1-CB 4.33Å; F214-D216 HydrophobicContact CE1-CB 3.94Å; F214-D216 HydrophobicContact CE2-CB 4.19Å; F214-D216 HydrophobicContact CZ-CB 3.85Å; D216-S218 PolarHBondContact O-N 3.29Å; D216-S218 VanDerWaalsContact OD1-CB 3.29Å; D216-S218 WeakPolarHBondContact OD1-CB 3.16Å; D216-S218 PolarHBondContact OD1-N 2.86Å; D216-S218 PolarHBondContact OD1-OG 2.82Å; D216-Y219 PolarHBondContact O-N 3.32Å; D216-Y220 WeakPolarHBondContact O-CD2 3.35Å; D216-Y220 WeakPolarHBondContact O-CE2 3.31Å
217S97.3Very high96.4Very high25 Ų2546.5 Ų46.518%0.17525%0.245CC..G310 helixtrans-48-24.9178.459.90000115.3H193 N195 A196 Y219 Y220 L222H193-S217 PolarHBondContact O-N 3.13Å; N195-S217 VanDerWaalsContact C-CB 3.41Å; N195-S217 WeakPolarHBondContact O-CB 3.08Å; N195-S217 PolarHBondContact O-N 3.17Å; N195-S217 PolarHBondContact O-OG 3.12Å; A196-S217 VanDerWaalsContact CA-OG 3.28Å; A196-S217 WeakPolarHBondContact CA-OG 3.43Å; A196-S217 PolarHBondContact N-OG 2.99Å; S217-Y219 PolarHBondContact O-N 2.94Å; S217-Y220 PolarHBondContact O-N 2.72Å; S217-L222 WeakPolarHBondContact O-CD1 3.33Å
218S97.2Very high96Very high89 Ų8946.2 Ų46.262%0.62224%0.244SC*.G310 helixtrans-67.7-15.8178.672.70000114D216D216-S218 PolarHBondContact O-N 3.29Å; D216-S218 VanDerWaalsContact OD1-CB 3.29Å; D216-S218 WeakPolarHBondContact OD1-CB 3.16Å; D216-S218 PolarHBondContact OD1-N 2.86Å; D216-S218 PolarHBondContact OD1-OG 2.82Å
219Y98.3Very high95.5Very high27 Ų2748.2 Ų48.211%0.10626%0.257CS..G310 helixtrans-92.5-9.1174-74-88.6000113.3F215 D216 S217 Y244 Y489 K490 S492 I493F215-Y219 HydrophobicContact CB-CD2 4.35Å; F215-Y219 HydrophobicContact CB-CG 4.34Å; F215-Y219 AromaticContact CD1-CD1 3.76Å; F215-Y219 HydrophobicContact CD1-CD1 3.76Å; F215-Y219 HydrophobicContact CD1-CD2 4.21Å; F215-Y219 AromaticContact CD1-CE1 3.99Å; F215-Y219 HydrophobicContact CD1-CE1 3.99Å; F215-Y219 HydrophobicContact CD1-CE2 4.39Å; F215-Y219 AromaticContact CD1-CG 3.87Å; F215-Y219 HydrophobicContact CD1-CG 3.87Å; F215-Y219 HydrophobicContact CE1-CD1 4.34Å; F215-Y219 HydrophobicContact CE1-CE1 4.24Å; D216-Y219 PolarHBondContact O-N 3.32Å; S217-Y219 PolarHBondContact O-N 2.94Å; Y219-Y244 AromaticContact CD1-CE1 3.95Å; Y219-Y244 HydrophobicContact CD1-CE1 3.95Å; Y219-Y244 HydrophobicContact CD1-CE2 4.45Å; Y219-Y244 AromaticContact CD1-CZ 3.83Å; Y219-Y244 PolarHBondContact O-OH 3.21Å; Y219-Y489 WeakPolarHBondContact CE2-O 3.35Å; Y219-Y489 PolarHBondContact OH-O 3.28Å; Y219-K490 VanDerWaalsContact OH-C 3.23Å; Y219-K490 PolarHBondContact OH-O 3.44Å; Y219-S492 WeakPolarHBondContact OH-CB 3.39Å; Y219-S492 PolarHBondContact OH-N 3.26Å; Y219-S492 VanDerWaalsContact OH-N 3.13Å; Y219-I493 HydrophobicContact CE1-CB 4.38Å; Y219-I493 HydrophobicContact CE1-CG2 4.11Å
220Y98.3Very high95.1Very high16 Ų1649.3 Ų49.36%0.06326%0.261CS..SBendtrans-107.2156.3-175.7-61.1-85.3000111.6H193 F215 D216 S217 L222 L232 F237 Q240 S241H193-Y220 WeakPolarHBondContact O-CE2 3.42Å; F215-Y220 HydrophobicContact CB-CE2 4.43Å; F215-Y220 WeakPolarHBondContact O-CE2 3.44Å; D216-Y220 WeakPolarHBondContact O-CD2 3.35Å; D216-Y220 WeakPolarHBondContact O-CE2 3.31Å; S217-Y220 PolarHBondContact O-N 2.72Å; Y220-L222 WeakPolarHBondContact O-CD1 3.17Å; Y220-L222 PolarHBondContact O-N 3.36Å; Y220-L232 HydrophobicContact CD1-CD2 3.8Å; Y220-L232 HydrophobicContact CG-CD2 4.03Å; Y220-F237 AromaticContact CE1-CD2 3.88Å; Y220-F237 HydrophobicContact CE1-CD2 3.88Å; Y220-F237 HydrophobicContact CE1-CE2 4.29Å; Y220-F237 HydrophobicContact CE2-CD2 4.45Å; Y220-F237 HydrophobicContact CE2-CE2 4.43Å; Y220-F237 AromaticContact CZ-CD2 3.79Å; Y220-F237 AromaticContact CZ-CE2 3.78Å; Y220-F237 VanDerWaalsContact OH-CE2 3.3Å; Y220-F237 WeakPolarHBondContact OH-CE2 3.31Å; Y220-Q240 HydrophobicContact CD1-CB 3.65Å; Y220-Q240 HydrophobicContact CE1-CB 4.03Å; Y220-S241 VanDerWaalsContact CE1-OG 3.3Å; Y220-S241 WeakPolarHBondContact CE1-OG 3.49Å; Y220-S241 PolarHBondContact OH-OG 2.86Å
221S97.1Very high94.8Very high78 Ų7849.3 Ų49.355%0.54526%0.261SS..  trans-90.295.5169.7-62.90000109.3N226S221-N226 PolarHBondContact O-ND2 2.8Å
222L94.3Very high94.7Very high71 Ų7149.3 Ų49.337%0.37226%0.261SS..  trans-93140176.2-6784.4000111S217 Y220 L232S217-L222 WeakPolarHBondContact O-CD1 3.33Å; Y220-L222 WeakPolarHBondContact O-CD1 3.17Å; Y220-L222 PolarHBondContact O-N 3.36Å; L222-L232 HydrophobicContact CG-CD1 4.33Å
223N93.1Very high94.6Very high76 Ų7647.2 Ų47.241%0.40625%0.252SS..  trans-152.8168.5168.661.670.3000110.4K225 N226 S227N223-K225 PolarHBondContact O-N 3.34Å; N223-K225 WeakPolarHBondContact OD1-CA 3.37Å; N223-K225 VanDerWaalsContact OD1-CB 3.29Å; N223-K225 WeakPolarHBondContact OD1-CB 3.17Å; N223-K225 PolarHBondContact OD1-N 3.02Å; N223-N226 PolarHBondContact N-OD1 3.37Å; N223-N226 PolarHBondContact ND2-ND2 2.74Å; N223-N226 PolarHBondContact O-N 3.08Å; N223-N226 VanDerWaalsContact O-N 3.08Å; N223-N226 PolarHBondContact O-OD1 2.76Å; N223-N226 PolarHBondContact OD1-N 2.96Å; N223-S227 PolarHBondContact O-N 3.35Å; N223-S227 VanDerWaalsContact O-N 3.08Å; N223-S227 PolarHBondContact O-OG 2.6Å
224D87.6Confident94.5Very high164 Ų16447.1 Ų47.188%0.87725%0.251SS*.THydrogen-bonded Turntrans-60.7-15.1-176.1-58.8-16.9000114.4
225K89.5Confident94.5Very high179 Ų17947.3 Ų47.378%0.77825%0.252SS*.THydrogen-bonded Turntrans-91.9-20.4179-57.6-178.2177.5-1790113.6N223N223-K225 PolarHBondContact O-N 3.34Å; N223-K225 WeakPolarHBondContact OD1-CA 3.37Å; N223-K225 VanDerWaalsContact OD1-CB 3.29Å; N223-K225 WeakPolarHBondContact OD1-CB 3.17Å; N223-K225 PolarHBondContact OD1-N 3.02Å
226N93.5Very high94.4Very high24 Ų2448.1 Ų48.113%0.12826%0.257CS..THydrogen-bonded Turntrans-121.40.7-174.575.7-1.7000113.6S221 N223 L232 H233 P236S221-N226 PolarHBondContact O-ND2 2.8Å; N223-N226 PolarHBondContact N-OD1 3.37Å; N223-N226 PolarHBondContact ND2-ND2 2.74Å; N223-N226 PolarHBondContact O-N 3.08Å; N223-N226 VanDerWaalsContact O-N 3.08Å; N223-N226 PolarHBondContact O-OD1 2.76Å; N223-N226 PolarHBondContact OD1-N 2.96Å; N226-L232 HydrophobicContact CB-CD1 4.15Å; N226-L232 VanDerWaalsContact CG-CD1 3.45Å; N226-L232 WeakPolarHBondContact O-CD1 3.27Å; N226-L232 WeakPolarHBondContact OD1-CD1 3.29Å; N226-H233 VanDerWaalsContact C-CD2 3.47Å; N226-H233 WeakPolarHBondContact O-CB 3.38Å; N226-H233 PolarHBondContact O-CD2 2.61Å; N226-H233 PolarHBondContact O-N 3.15Å; N226-P236 HydrophobicContact CB-CB 4.45Å; N226-P236 HydrophobicContact CB-CG 4.1Å
227S92.7Very high94.4Very high26 Ų2647.2 Ų47.218%0.18225%0.252CS..EExtended strand (participates in β ladder)trans-137.5159.3-178.764.60000111.2N223 G231N223-S227 PolarHBondContact O-N 3.35Å; N223-S227 VanDerWaalsContact O-N 3.08Å; N223-S227 PolarHBondContact O-OG 2.6Å; S227-G231 CarbonylContact C-O 3.32Å; S227-G231 VanDerWaalsContact CA-O 3.24Å; S227-G231 WeakPolarHBondContact CA-O 3.33Å; S227-G231 VanDerWaalsContact CB-O 3.28Å; S227-G231 WeakPolarHBondContact CB-O 3.38Å
228F90.8Very high94.5Very high35 Ų3546 Ų4615%0.15424%0.244CC..EExtended strand (participates in β ladder)trans-135.9-170.5176.871.1-69.9000109.2Y230 G231 H233 V259 S266F228-Y230 HydrophobicContact CD2-CD2 4.15Å; F228-Y230 AromaticContact CE2-CD2 3.64Å; F228-Y230 HydrophobicContact CE2-CD2 3.64Å; F228-Y230 HydrophobicContact CE2-CG 4.23Å; F228-Y230 HydrophobicContact CZ-CD2 4.48Å; F228-Y230 PolarHBondContact O-N 3.22Å; F228-G231 WeakPolarHBondContact CD1-O 3.47Å; F228-G231 PolarHBondContact N-O 2.98Å; F228-G231 PolarHBondContact O-N 3.31Å; F228-H233 AromaticContact CD1-CE1 3.53Å; F228-H233 AromaticContact CD1-ND1 3.67Å; F228-H233 AromaticContact CE1-ND1 3.96Å; F228-V259 HydrophobicContact CE1-CG1 3.86Å; F228-V259 HydrophobicContact CZ-CG1 3.98Å; F228-V259 HydrophobicContact CZ-CG2 4.33Å; F228-V259 WeakPolarHBondContact CZ-O 2.96Å; F228-S266 WeakPolarHBondContact CD2-OG 3.46Å; F228-S266 WeakPolarHBondContact CE2-OG 3.47Å
229Q86Confident94.6Very high122 Ų12244.9 Ų44.957%0.5723%0.229SC*.THydrogen-bonded Turntrans-51.2-32.4-172.5-178.7176.41.700114.8Y30Y30-Q229 PolarHBondContact OH-NE2 2.95Å
230Y91Very high94.6Very high23 Ų2344.6 Ų44.69%0.0923%0.229CC..THydrogen-bonded Turntrans-103.14.7-175.3-61.6-77.5000114.2N195 F199 F228 H262 Y263N195-Y230 VanDerWaalsContact CB-O 3.26Å; N195-Y230 WeakPolarHBondContact CB-O 3.43Å; N195-Y230 PolarHBondContact ND2-O 3.49Å; N195-Y230 VanDerWaalsContact ND2-O 3.16Å; F199-Y230 HydrophobicContact CZ-CD1 4.43Å; F228-Y230 HydrophobicContact CD2-CD2 4.15Å; F228-Y230 AromaticContact CE2-CD2 3.64Å; F228-Y230 HydrophobicContact CE2-CD2 3.64Å; F228-Y230 HydrophobicContact CE2-CG 4.23Å; F228-Y230 HydrophobicContact CZ-CD2 4.48Å; F228-Y230 PolarHBondContact O-N 3.22Å; Y230-H262 AromaticContact CD2-ND1 3.62Å; Y230-H262 AromaticContact CE1-CE1 3.73Å; Y230-H262 AromaticContact CE2-CE1 3.59Å; Y230-H262 AromaticContact CE2-ND1 3.36Å; Y230-H262 WeakPolarHBondContact CE2-ND1 3.16Å; Y230-H262 AromaticContact CZ-CE1 3.41Å; Y230-H262 VanDerWaalsContact CZ-CE1 3.41Å; Y230-H262 AromaticContact CZ-ND1 3.71Å; Y230-Y263 WeakPolarHBondContact CE2-O 3.24Å
231G93Very high94.6Very high5 Ų543.9 Ų43.95%0.05223%0.226CC..EExtended strand (participates in β ladder)trans129.6-160.3174.300000113.6G194 S227 F228G194-G231 CarbonylContact O-C 3.6Å; G194-G231 WeakPolarHBondContact O-CA 3.11Å; S227-G231 CarbonylContact C-O 3.32Å; S227-G231 VanDerWaalsContact CA-O 3.24Å; S227-G231 WeakPolarHBondContact CA-O 3.33Å; S227-G231 VanDerWaalsContact CB-O 3.28Å; S227-G231 WeakPolarHBondContact CB-O 3.38Å; F228-G231 WeakPolarHBondContact CD1-O 3.47Å; F228-G231 PolarHBondContact N-O 2.98Å; F228-G231 PolarHBondContact O-N 3.31Å
232L95.9Very high94.7Very high0 Ų040.1 Ų40.10%020%0.2CC..EExtended strand (participates in β ladder)trans-67.2140.8179.3-164.966.7000111.4G194 Y220 L222 N226 P236 F237 V259G194-L232 PolarHBondContact O-N 3.48Å; Y220-L232 HydrophobicContact CD1-CD2 3.8Å; Y220-L232 HydrophobicContact CG-CD2 4.03Å; L222-L232 HydrophobicContact CG-CD1 4.33Å; N226-L232 HydrophobicContact CB-CD1 4.15Å; N226-L232 VanDerWaalsContact CG-CD1 3.45Å; N226-L232 WeakPolarHBondContact O-CD1 3.27Å; N226-L232 WeakPolarHBondContact OD1-CD1 3.29Å; L232-P236 HydrophobicContact CD1-CB 4.16Å; L232-P236 HydrophobicContact CD1-CG 4.15Å; L232-P236 HydrophobicContact CD2-CB 4.36Å; L232-P236 HydrophobicContact CG-CB 4.19Å; L232-P236 HydrophobicContact CG-CG 4.1Å; L232-F237 HydrophobicContact CB-CB 4.39Å; L232-F237 VanDerWaalsContact CD2-CA 3.48Å; L232-F237 HydrophobicContact CD2-CB 3.91Å; L232-F237 HydrophobicContact CG-CB 4.22Å; L232-V259 WeakPolarHBondContact O-CG1 3.21Å
233H96.2Very high94.9Very high8 Ų839 Ų394%0.03719%0.191CC..  trans-65.1157.1170.4-74-63.5000111.7N226 F228 K235 P236 F237 S260 Y294N226-H233 VanDerWaalsContact C-CD2 3.47Å; N226-H233 WeakPolarHBondContact O-CB 3.38Å; N226-H233 PolarHBondContact O-CD2 2.61Å; N226-H233 PolarHBondContact O-N 3.15Å; F228-H233 AromaticContact CD1-CE1 3.53Å; F228-H233 AromaticContact CD1-ND1 3.67Å; F228-H233 AromaticContact CE1-ND1 3.96Å; H233-K235 PolarHBondContact O-N 2.98Å; H233-P236 HydrophobicContact CB-CG 3.98Å; H233-P236 WeakPolarHBondContact O-CD 3.08Å; H233-P236 VanDerWaalsContact O-CG 3.23Å; H233-P236 WeakPolarHBondContact O-CG 3.36Å; H233-F237 VanDerWaalsContact O-CB 3.24Å; H233-F237 WeakPolarHBondContact O-CB 3.39Å; H233-F237 PolarHBondContact O-N 2.97Å; H233-S260 VanDerWaalsContact CA-OG 3.28Å; H233-S260 WeakPolarHBondContact CA-OG 3.37Å; H233-Y294 HydrophobicContact CB-CE1 4.04Å; H233-Y294 WeakPolarHBondContact CB-OH 3.42Å
234D97.7Very high95.1Very high2 Ų236.5 Ų36.51%0.01118%0.177CC..Hα-helixtrans-68.6-42.5-164.2-64.5-4.6000113F237 F238 V259 S260 Y294 T295 A298D234-F237 WeakPolarHBondContact O-CB 3.37Å; D234-F237 PolarHBondContact O-N 3.4Å; D234-F238 HydrophobicContact CB-CD2 4.43Å; D234-F238 HydrophobicContact CB-CE2 4.4Å; D234-F238 VanDerWaalsContact O-CD2 3.22Å; D234-F238 WeakPolarHBondContact O-CD2 3.1Å; D234-F238 PolarHBondContact O-N 3.49Å; D234-V259 PolarHBondContact OD1-N 2.78Å; D234-S260 VanDerWaalsContact CG-CB 3.4Å; D234-S260 PolarHBondContact N-OG 3.39Å; D234-S260 WeakPolarHBondContact OD1-CB 3.22Å; D234-S260 PolarHBondContact OD1-N 3.44Å; D234-S260 PolarHBondContact OD1-OG 3.23Å; D234-S260 VanDerWaalsContact OD2-CB 3.29Å; D234-S260 WeakPolarHBondContact OD2-CB 3.28Å; D234-S260 PolarHBondContact OD2-N 2.99Å; D234-S260 PolarHBondContact OD2-OG 3.26Å; D234-Y294 HydrophobicContact CB-CD1 4.48Å; D234-Y294 HydrophobicContact CB-CE1 4.05Å; D234-T295 WeakPolarHBondContact OD2-CB 3.24Å; D234-T295 WeakPolarHBondContact OD2-CG2 3.42Å; D234-T295 PolarHBondContact OD2-OG1 3.44Å; D234-A298 HydrophobicContact CB-CB 3.78Å
235K97.5Very high95.7Very high4 Ų428.8 Ų28.82%0.01714%0.135CC..Hα-helixtrans-57-57.3174.3-66.8-175.5179.8176.80112.7H233 F237 F238 Q239 E272 Y294 A298 K526H233-K235 PolarHBondContact O-N 2.98Å; K235-F237 PolarHBondContact O-N 2.88Å; K235-F238 PolarHBondContact O-N 3.38Å; K235-Q239 VanDerWaalsContact O-CB 3.25Å; K235-Q239 WeakPolarHBondContact O-CB 3.5Å; K235-Q239 PolarHBondContact O-N 2.84Å; K235-E272 WeakPolarHBondContact CD-OE1 3.46Å; K235-E272 VanDerWaalsContact NZ-CD 3.31Å; K235-E272 IonicContact NZ-OE1 3.71Å; K235-E272 PolarHBondContact NZ-OE1 3.49Å; K235-E272 VanDerWaalsContact NZ-OE1 3.13Å; K235-E272 IonicContact NZ-OE2 3.28Å; K235-E272 PolarHBondContact NZ-OE2 2.69Å; K235-Y294 HydrophobicContact CB-CE2 4.41Å; K235-Y294 WeakPolarHBondContact CB-OH 3.4Å; K235-Y294 HydrophobicContact CD-CD2 4.37Å; K235-Y294 HydrophobicContact CD-CE2 3.61Å; K235-Y294 HydrophobicContact CG-CE1 4.37Å; K235-Y294 HydrophobicContact CG-CE2 3.78Å; K235-Y294 PolarHBondContact N-OH 2.91Å; K235-A298 HydrophobicContact CB-CB 4.35Å; K235-A298 HydrophobicContact CG-CB 3.66Å; K235-K526 PolarHBondContact NZ-O 3.38Å
236P97.4Very high96.1Very high17 Ų1720.4 Ų20.411%0.1110%0.099CC..Hα-helixtrans-64.3-25.8177.121.7-29.4000112.7N226 L232 H233 Q240 Y294N226-P236 HydrophobicContact CB-CB 4.45Å; N226-P236 HydrophobicContact CB-CG 4.1Å; L232-P236 HydrophobicContact CD1-CB 4.16Å; L232-P236 HydrophobicContact CD1-CG 4.15Å; L232-P236 HydrophobicContact CD2-CB 4.36Å; L232-P236 HydrophobicContact CG-CB 4.19Å; L232-P236 HydrophobicContact CG-CG 4.1Å; H233-P236 HydrophobicContact CB-CG 3.98Å; H233-P236 WeakPolarHBondContact O-CD 3.08Å; H233-P236 VanDerWaalsContact O-CG 3.23Å; H233-P236 WeakPolarHBondContact O-CG 3.36Å; P236-Q240 VanDerWaalsContact O-CB 3.23Å; P236-Q240 WeakPolarHBondContact O-CB 3.39Å; P236-Q240 WeakPolarHBondContact O-CG 3.49Å; P236-Q240 PolarHBondContact O-N 3.47Å; P236-Q240 PolarHBondContact O-NE2 3.42Å; P236-Y294 WeakPolarHBondContact CD-OH 3.39Å
237F98.4Very high96.3Very high1 Ų120.1 Ų20.10%0.00410%0.097CC..Hα-helixtrans-66.5-52.6173.7163.8-110.5000112.7F192 Y220 L232 H233 D234 K235 Q240 S241 F256F192-F237 HydrophobicContact CB-CE2 3.9Å; F192-F237 HydrophobicContact CB-CZ 3.78Å; F192-F237 WeakPolarHBondContact O-CZ 3.21Å; Y220-F237 AromaticContact CE1-CD2 3.88Å; Y220-F237 HydrophobicContact CE1-CD2 3.88Å; Y220-F237 HydrophobicContact CE1-CE2 4.29Å; Y220-F237 HydrophobicContact CE2-CD2 4.45Å; Y220-F237 HydrophobicContact CE2-CE2 4.43Å; Y220-F237 AromaticContact CZ-CD2 3.79Å; Y220-F237 AromaticContact CZ-CE2 3.78Å; Y220-F237 VanDerWaalsContact OH-CE2 3.3Å; Y220-F237 WeakPolarHBondContact OH-CE2 3.31Å; L232-F237 HydrophobicContact CB-CB 4.39Å; L232-F237 VanDerWaalsContact CD2-CA 3.48Å; L232-F237 HydrophobicContact CD2-CB 3.91Å; L232-F237 HydrophobicContact CG-CB 4.22Å; H233-F237 VanDerWaalsContact O-CB 3.24Å; H233-F237 WeakPolarHBondContact O-CB 3.39Å; H233-F237 PolarHBondContact O-N 2.97Å; D234-F237 WeakPolarHBondContact O-CB 3.37Å; D234-F237 PolarHBondContact O-N 3.4Å; K235-F237 PolarHBondContact O-N 2.88Å; F237-Q240 PolarHBondContact O-N 3.42Å; F237-S241 WeakPolarHBondContact O-CB 3.45Å; F237-S241 PolarHBondContact O-N 3.19Å; F237-S241 PolarHBondContact O-OG 3.41Å; F237-F256 HydrophobicContact CE1-CB 4.15Å; F237-F256 HydrophobicContact CE1-CD1 4.21Å; F237-F256 HydrophobicContact CZ-CB 4.22Å; F237-F256 HydrophobicContact CZ-CD1 4.02Å
238F98.8Very high96.6Very high0 Ų019 Ų190%09%0.088CC..Hα-helixtrans-63.8-46.4176.7-77.4-68.9000110.9V93 D234 K235 Q240 S241 V242 F256 A258 A298 I299 F302 Y523V93-F238 HydrophobicContact CG1-CZ 4.09Å; D234-F238 HydrophobicContact CB-CD2 4.43Å; D234-F238 HydrophobicContact CB-CE2 4.4Å; D234-F238 VanDerWaalsContact O-CD2 3.22Å; D234-F238 WeakPolarHBondContact O-CD2 3.1Å; D234-F238 PolarHBondContact O-N 3.49Å; K235-F238 PolarHBondContact O-N 3.38Å; F238-Q240 VanDerWaalsContact C-N 3.35Å; F238-Q240 PolarHBondContact O-N 3.03Å; F238-S241 PolarHBondContact O-N 2.85Å; F238-S241 VanDerWaalsContact O-N 3.08Å; F238-V242 WeakPolarHBondContact O-CG1 3.42Å; F238-V242 PolarHBondContact O-N 3.05Å; F238-F256 AromaticContact CD1-CD1 3.91Å; F238-F256 HydrophobicContact CD1-CD1 3.91Å; F238-F256 HydrophobicContact CD1-CG 4.46Å; F238-F256 HydrophobicContact CE1-CB 3.71Å; F238-F256 AromaticContact CE1-CD1 3.82Å; F238-F256 HydrophobicContact CE1-CD1 3.82Å; F238-F256 AromaticContact CE1-CG 3.93Å; F238-F256 HydrophobicContact CE1-CG 3.93Å; F238-F256 HydrophobicContact CZ-CB 4.3Å; F238-A258 HydrophobicContact CE2-CB 4.15Å; F238-A258 HydrophobicContact CZ-CB 4.27Å; F238-A298 HydrophobicContact CD2-CB 3.9Å; F238-A298 HydrophobicContact CE2-CB 4.33Å; F238-I299 HydrophobicContact CE2-CG1 4.1Å; F238-I299 HydrophobicContact CZ-CG1 4.23Å; F238-F302 HydrophobicContact CB-CB 4.11Å; F238-F302 HydrophobicContact CB-CD2 4.45Å; F238-F302 HydrophobicContact CB-CG 4.49Å; F238-F302 HydrophobicContact CD1-CB 3.79Å; F238-F302 AromaticContact CD1-CD1 3.88Å; F238-F302 HydrophobicContact CD1-CD1 3.88Å; F238-F302 AromaticContact CD1-CD2 3.81Å; F238-F302 HydrophobicContact CD1-CD2 3.81Å; F238-F302 HydrophobicContact CD1-CE1 4.41Å; F238-F302 HydrophobicContact CD1-CE2 4.37Å; F238-F302 AromaticContact CD1-CG 3.54Å; F238-F302 HydrophobicContact CD1-CG 3.54Å; F238-F302 HydrophobicContact CE1-CB 4.38Å; F238-F302 AromaticContact CE1-CD1 3.89Å; F238-F302 HydrophobicContact CE1-CD1 3.89Å; F238-F302 HydrophobicContact CE1-CE1 4.3Å; F238-F302 HydrophobicContact CE1-CG 4.04Å; F238-F302 HydrophobicContact CG-CB 3.96Å; F238-F302 HydrophobicContact CG-CG 4.21Å; F238-Y523 HydrophobicContact CB-CE2 4.2Å; F238-Y523 VanDerWaalsContact CB-OH 3.32Å; F238-Y523 WeakPolarHBondContact CB-OH 3.34Å
239Q98.5Very high97Very high65 Ų6517.9 Ų17.930%0.3048%0.084SC..Hα-helixtrans-52.5-50.5176.8-177.4-176.526.500111.9K235 S241 V242 Y523K235-Q239 VanDerWaalsContact O-CB 3.25Å; K235-Q239 WeakPolarHBondContact O-CB 3.5Å; K235-Q239 PolarHBondContact O-N 2.84Å; Q239-S241 VanDerWaalsContact C-N 3.29Å; Q239-S241 PolarHBondContact O-N 2.82Å; Q239-V242 WeakPolarHBondContact O-CG2 3.27Å; Q239-Y523 HydrophobicContact CB-CD1 3.73Å; Q239-Y523 HydrophobicContact CB-CE1 3.53Å; Q239-Y523 HydrophobicContact CB-CG 4.37Å; Q239-Y523 HydrophobicContact CG-CD1 3.64Å; Q239-Y523 HydrophobicContact CG-CE1 3.96Å; Q239-Y523 HydrophobicContact CG-CG 4.25Å
240Q98.6Very high97.6Very high21 Ų2113.4 Ų13.410%0.0986%0.063CC..Hα-helixtrans-77.8-14.5-177.5-70.6179.163.600113.6Y220 P236 F237 F238 K243Y220-Q240 HydrophobicContact CD1-CB 3.65Å; Y220-Q240 HydrophobicContact CE1-CB 4.03Å; P236-Q240 VanDerWaalsContact O-CB 3.23Å; P236-Q240 WeakPolarHBondContact O-CB 3.39Å; P236-Q240 WeakPolarHBondContact O-CG 3.49Å; P236-Q240 PolarHBondContact O-N 3.47Å; P236-Q240 PolarHBondContact O-NE2 3.42Å; F237-Q240 PolarHBondContact O-N 3.42Å; F238-Q240 VanDerWaalsContact C-N 3.35Å; F238-Q240 PolarHBondContact O-N 3.03Å; Q240-K243 VanDerWaalsContact O-CE 3.29Å; Q240-K243 WeakPolarHBondContact O-CE 3.22Å; Q240-K243 WeakPolarHBondContact O-CG 3.5Å
241S98.9Very high98Very high0 Ų013.7 Ų13.70%07%0.068CC..Hα-helixtrans-79.4-24.3179.8-62.90000112.8Y220 F237 F238 Q239 K243 Y244 L245Y220-S241 VanDerWaalsContact CE1-OG 3.3Å; Y220-S241 WeakPolarHBondContact CE1-OG 3.49Å; Y220-S241 PolarHBondContact OH-OG 2.86Å; F237-S241 WeakPolarHBondContact O-CB 3.45Å; F237-S241 PolarHBondContact O-N 3.19Å; F237-S241 PolarHBondContact O-OG 3.41Å; F238-S241 PolarHBondContact O-N 2.85Å; F238-S241 VanDerWaalsContact O-N 3.08Å; Q239-S241 VanDerWaalsContact C-N 3.29Å; Q239-S241 PolarHBondContact O-N 2.82Å; S241-K243 VanDerWaalsContact C-N 3.32Å; S241-K243 PolarHBondContact O-N 3.28Å; S241-Y244 WeakPolarHBondContact O-CB 3.39Å; S241-Y244 PolarHBondContact O-N 2.88Å; S241-L245 PolarHBondContact O-N 2.79Å
242V98.7Very high98.3Very high0 Ų013.5 Ų13.50%07%0.066CC..Hα-helixtrans-64.5-35.2-172.3-55.40000113.7F238 Q239 Y244 L245 E246 F302 Y305 E520 Y523F238-V242 WeakPolarHBondContact O-CG1 3.42Å; F238-V242 PolarHBondContact O-N 3.05Å; Q239-V242 WeakPolarHBondContact O-CG2 3.27Å; V242-Y244 PolarHBondContact O-N 3.02Å; V242-Y244 VanDerWaalsContact O-N 3.12Å; V242-L245 PolarHBondContact O-N 3.2Å; V242-E246 PolarHBondContact O-N 3.3Å; V242-F302 HydrophobicContact CG1-CD2 4.45Å; V242-Y305 HydrophobicContact CB-CD1 4.05Å; V242-Y305 HydrophobicContact CB-CD2 4.16Å; V242-Y305 HydrophobicContact CB-CE1 3.65Å; V242-Y305 HydrophobicContact CB-CE2 3.75Å; V242-Y305 HydrophobicContact CB-CG 4.31Å; V242-Y305 VanDerWaalsContact CB-CZ 3.48Å; V242-Y305 HydrophobicContact CG1-CD1 3.5Å; V242-Y305 HydrophobicContact CG1-CD2 4.05Å; V242-Y305 HydrophobicContact CG1-CE1 3.61Å; V242-Y305 HydrophobicContact CG1-CE2 4.12Å; V242-Y305 HydrophobicContact CG1-CG 3.75Å; V242-Y305 HydrophobicContact CG2-CD2 4.33Å; V242-Y305 HydrophobicContact CG2-CE2 3.97Å; V242-E520 HydrophobicContact CG2-CB 4.33Å; V242-E520 HydrophobicContact CG2-CG 4.18Å; V242-Y523 HydrophobicContact CG1-CD2 3.56Å; V242-Y523 HydrophobicContact CG1-CE2 4.06Å; V242-Y523 HydrophobicContact CG1-CG 4.49Å
243K98Very high98.4Very high46 Ų4613.6 Ų13.620%0.27%0.066CC..Hα-helixtrans-63.6-14.4174.476-168.9-179.3-176.30113.7Q240 S241 H247 E520Q240-K243 VanDerWaalsContact O-CE 3.29Å; Q240-K243 WeakPolarHBondContact O-CE 3.22Å; Q240-K243 WeakPolarHBondContact O-CG 3.5Å; S241-K243 VanDerWaalsContact C-N 3.32Å; S241-K243 PolarHBondContact O-N 3.28Å; K243-H247 PolarHBondContact O-CD2 2.9Å; K243-E520 HydrophobicContact CB-CB 4.48Å; K243-E520 HydrophobicContact CB-CG 4.48Å; K243-E520 WeakPolarHBondContact CB-OE2 3.16Å
244Y98.7Very high98.5Very high25 Ų2513.2 Ų13.210%0.0986%0.064CC..Hα-helixtrans-99.5-40.1173.4-60.8-51.7000111F215 Y219 S241 V242 E246 H247 I493F215-Y244 AromaticContact CD1-CD1 3.97Å; F215-Y244 HydrophobicContact CD1-CD1 3.97Å; F215-Y244 AromaticContact CD1-CD2 3.96Å; F215-Y244 HydrophobicContact CD1-CD2 3.96Å; F215-Y244 HydrophobicContact CD1-CE1 4.45Å; F215-Y244 HydrophobicContact CD1-CE2 4.46Å; F215-Y244 AromaticContact CD1-CG 3.71Å; F215-Y244 HydrophobicContact CD1-CG 3.71Å; F215-Y244 AromaticContact CE1-CD1 3.75Å; F215-Y244 HydrophobicContact CE1-CD1 3.75Å; F215-Y244 HydrophobicContact CE1-CD2 4.47Å; F215-Y244 HydrophobicContact CE1-CE1 4.47Å; F215-Y244 AromaticContact CE1-CG 3.76Å; F215-Y244 HydrophobicContact CE1-CG 3.76Å; F215-Y244 HydrophobicContact CG-CD2 4.28Å; F215-Y244 HydrophobicContact CG-CG 4.27Å; F215-Y244 HydrophobicContact CZ-CG 4.35Å; Y219-Y244 AromaticContact CD1-CE1 3.95Å; Y219-Y244 HydrophobicContact CD1-CE1 3.95Å; Y219-Y244 HydrophobicContact CD1-CE2 4.45Å; Y219-Y244 AromaticContact CD1-CZ 3.83Å; Y219-Y244 PolarHBondContact O-OH 3.21Å; S241-Y244 WeakPolarHBondContact O-CB 3.39Å; S241-Y244 PolarHBondContact O-N 2.88Å; V242-Y244 PolarHBondContact O-N 3.02Å; V242-Y244 VanDerWaalsContact O-N 3.12Å; Y244-E246 VanDerWaalsContact C-N 3.26Å; Y244-E246 PolarHBondContact O-N 2.77Å; Y244-H247 PolarHBondContact O-N 3.31Å; Y244-I493 HydrophobicContact CD1-CD1 4Å; Y244-I493 HydrophobicContact CD1-CG1 4.38Å; Y244-I493 HydrophobicContact CE1-CG1 4.46Å
245L98.8Very high98.6Very high1 Ų113.2 Ų13.21%0.0056%0.064CC..Hα-helixtrans-57.8-39.5175.3-178.862.5000111.7S241 V242 H247 M248 F252 A254 F256 F302 Y305 I306 L311S241-L245 PolarHBondContact O-N 2.79Å; V242-L245 PolarHBondContact O-N 3.2Å; L245-H247 PolarHBondContact O-N 3.12Å; L245-H247 VanDerWaalsContact O-N 3.09Å; L245-M248 HydrophobicContact CD1-SD 3.94Å; L245-M248 WeakPolarHBondContact O-CB 3.48Å; L245-M248 PolarHBondContact O-N 2.86Å; L245-M248 VanDerWaalsContact O-N 3.12Å; L245-F252 HydrophobicContact CD1-CE1 4.25Å; L245-F252 HydrophobicContact CD1-CE2 3.82Å; L245-F252 HydrophobicContact CD1-CZ 3.69Å; L245-A254 HydrophobicContact CD1-CB 4.37Å; L245-F256 HydrophobicContact CB-CZ 4.49Å; L245-F256 HydrophobicContact CD1-CE2 4.49Å; L245-F256 HydrophobicContact CD1-CZ 4.19Å; L245-F256 HydrophobicContact CD2-CZ 4.01Å; L245-F256 HydrophobicContact CG-CZ 4.46Å; L245-F302 HydrophobicContact CD2-CE2 3.87Å; L245-F302 HydrophobicContact CD2-CZ 3.96Å; L245-Y305 HydrophobicContact CD2-CE1 4.19Å; L245-I306 HydrophobicContact CD2-CG2 4.4Å; L245-L311 HydrophobicContact CD2-CD1 3.87Å; L245-L311 HydrophobicContact CG-CD1 4.05Å
246E98.6Very high98.7Very high3 Ų313 Ų131%0.0146%0.063CC..THydrogen-bonded Turntrans-62.9-18-177.769.4179.3-169.600114.6V242 Y244 S509 V510 F511 S518 T519V242-E246 PolarHBondContact O-N 3.3Å; Y244-E246 VanDerWaalsContact C-N 3.26Å; Y244-E246 PolarHBondContact O-N 2.77Å; E246-S509 WeakPolarHBondContact O-CB 3.42Å; E246-V510 HydrophobicContact CB-CB 4.06Å; E246-V510 HydrophobicContact CB-CG1 4.36Å; E246-V510 PolarHBondContact O-N 2.62Å; E246-F511 HydrophobicContact CG-CB 4.3Å; E246-F511 PolarHBondContact O-N 2.63Å; E246-S518 WeakPolarHBondContact OE1-CA 3.48Å; E246-S518 VanDerWaalsContact OE1-CB 3.24Å; E246-S518 WeakPolarHBondContact OE1-CB 3.38Å; E246-S518 PolarHBondContact OE1-OG 2.86Å; E246-S518 PolarHBondContact OE2-OG 3.2Å; E246-T519 WeakPolarHBondContact OE2-CA 3.34Å; E246-T519 PolarHBondContact OE2-N 3.2Å; E246-T519 PolarHBondContact OE2-OG1 3.32Å
247H98.7Very high98.7Very high19 Ų1912.2 Ų12.29%0.0886%0.058CC..THydrogen-bonded Turntrans-94.1-7.4179.2-68.1-70.6000114.3K243 Y244 L245 Q249 I493 L496 E500 F511K243-H247 PolarHBondContact O-CD2 2.9Å; Y244-H247 PolarHBondContact O-N 3.31Å; L245-H247 PolarHBondContact O-N 3.12Å; L245-H247 VanDerWaalsContact O-N 3.09Å; H247-Q249 PolarHBondContact O-N 3.49Å; H247-Q249 PolarHBondContact O-NE2 3.28Å; H247-I493 HydrophobicContact CB-CD1 4.43Å; H247-L496 HydrophobicContact CB-CB 4.05Å; H247-L496 HydrophobicContact CB-CD1 4.06Å; H247-E500 VanDerWaalsContact CA-OE1 3.3Å; H247-E500 WeakPolarHBondContact CA-OE1 3.42Å; H247-E500 IonicContact CE1-OE2 3.84Å; H247-E500 IonicContact CG-OE1 2.83Å; H247-E500 VanDerWaalsContact ND1-CD 3.35Å; H247-E500 IonicContact ND1-OE1 3.62Å; H247-E500 PolarHBondContact ND1-OE1 3.28Å; H247-E500 IonicContact ND1-OE2 2.88Å; H247-E500 PolarHBondContact ND1-OE2 3.32Å; H247-F511 AromaticContact CE1-CD1 3.64Å; H247-F511 AromaticContact CE1-CD2 3.57Å; H247-F511 AromaticContact CE1-CG 3.37Å; H247-F511 WeakPolarHBondContact CE1-CG 3.35Å; H247-F511 AromaticContact ND1-CD1 3.82Å; H247-F511 AromaticContact ND1-CG 3.64Å
248M98.8Very high98.7Very high1 Ų112.2 Ų12.21%0.0056%0.058CC..SBendtrans-68.8133.5178.8-65.2-168.27300110.8T188 A190 F192 L245 F252 A254 L496 S509T188-M248 HydrophobicContact CG2-CE 3.85Å; A190-M248 HydrophobicContact CB-CE 3.37Å; A190-M248 HydrophobicContact CB-SD 3.72Å; F192-M248 HydrophobicContact CE2-SD 4.2Å; F192-M248 HydrophobicContact CZ-SD 3.97Å; L245-M248 HydrophobicContact CD1-SD 3.94Å; L245-M248 WeakPolarHBondContact O-CB 3.48Å; L245-M248 PolarHBondContact O-N 2.86Å; L245-M248 VanDerWaalsContact O-N 3.12Å; M248-F252 HydrophobicContact CB-CB 4.2Å; M248-F252 HydrophobicContact CB-CD1 3.75Å; M248-F252 HydrophobicContact CB-CE1 4.41Å; M248-F252 HydrophobicContact CB-CG 4.1Å; M248-F252 HydrophobicContact CE-CB 3.56Å; M248-F252 HydrophobicContact CE-CD2 4.42Å; M248-F252 HydrophobicContact CE-CG 4.08Å; M248-F252 HydrophobicContact SD-CB 4.34Å; M248-F252 HydrophobicContact SD-CD2 4.37Å; M248-F252 HydrophobicContact SD-CG 4.23Å; M248-A254 HydrophobicContact SD-CB 4.2Å; M248-L496 HydrophobicContact CG-CD1 4.33Å; M248-S509 VanDerWaalsContact O-CA 3.28Å; M248-S509 WeakPolarHBondContact O-CA 3.36Å; M248-S509 WeakPolarHBondContact O-CB 3.18Å
249Q98.7Very high98.5Very high12 Ų1212.6 Ų12.66%0.0566%0.06CC..PPolyproline II helixtrans-72.9135.6171.1-55-55.1-65.500109.3T188 H247 P251 I499 E500 L503 S507 S509T188-Q249 WeakPolarHBondContact CB-O 3.42Å; T188-Q249 WeakPolarHBondContact OG1-CB 3.43Å; T188-Q249 PolarHBondContact OG1-O 3.33Å; T188-Q249 VanDerWaalsContact OG1-O 3.14Å; H247-Q249 PolarHBondContact O-N 3.49Å; H247-Q249 PolarHBondContact O-NE2 3.28Å; Q249-P251 CarbonylContact O-C 3.41Å; Q249-P251 VanDerWaalsContact O-O 3.1Å; Q249-I499 HydrophobicContact CG-CG2 3.57Å; Q249-E500 VanDerWaalsContact NE2-CG 3.29Å; Q249-L503 HydrophobicContact CG-CD1 4.06Å; Q249-S507 VanDerWaalsContact CD-OG 3.31Å; Q249-S507 PolarHBondContact NE2-OG 3.19Å; Q249-S507 VanDerWaalsContact OE1-CA 3.31Å; Q249-S507 PolarHBondContact OE1-OG 3.11Å; Q249-S509 VanDerWaalsContact NE2-CB 3.35Å
250Q98.7Very high98.4Very high28 Ų289.6 Ų9.613%0.1315%0.047CC..SBendtrans-88.6141.6175.8-59.1-176.352.400110.7N89 F252 N314 T508N89-Q250 PolarHBondContact ND2-OE1 3.17Å; N89-Q250 WeakPolarHBondContact OD1-CB 3.34Å; N89-Q250 WeakPolarHBondContact OD1-CG 3.49Å; Q250-F252 HydrophobicContact CG-CD1 3.87Å; Q250-F252 HydrophobicContact CG-CE1 3.9Å; Q250-N314 PolarHBondContact OE1-ND2 3.27Å; Q250-T508 PolarHBondContact N-OG1 3.34Å; Q250-T508 PolarHBondContact NE2-O 3.14Å; Q250-T508 PolarHBondContact O-OG1 2.82Å
251P98.8Very high98.3Very high30 Ų308.8 Ų8.820%0.1954%0.043CC..SBendcis-72.5148.5-2.331.7-35.5000112.3N89 Y187 T188 Q249N89-P251 VanDerWaalsContact OD1-CA 3.29Å; N89-P251 WeakPolarHBondContact OD1-CA 3.31Å; Y187-P251 VanDerWaalsContact CA-O 3.27Å; Y187-P251 WeakPolarHBondContact CA-O 3.4Å; Y187-P251 HydrophobicContact CD1-CB 3.99Å; Y187-P251 HydrophobicContact CD1-CG 4.4Å; Y187-P251 HydrophobicContact CD2-CB 4.12Å; Y187-P251 HydrophobicContact CD2-CG 3.66Å; Y187-P251 HydrophobicContact CE1-CB 3.72Å; Y187-P251 HydrophobicContact CE1-CG 4.31Å; Y187-P251 HydrophobicContact CE2-CB 3.85Å; Y187-P251 HydrophobicContact CE2-CG 3.54Å; Y187-P251 HydrophobicContact CG-CB 4.17Å; Y187-P251 HydrophobicContact CG-CG 4.08Å; T188-P251 PolarHBondContact N-O 3.31Å; Q249-P251 CarbonylContact O-C 3.41Å; Q249-P251 VanDerWaalsContact O-O 3.1Å
252F98.9Very high98.1Very high1 Ų110.4 Ų10.40%0.0045%0.051CC..EExtended strand (participates in β ladder)trans-125.9157.9173.859-109.1000113.1N89 I90 I91 Y187 T188 L245 M248 Q250 A254 L311N89-F252 CarbonylContact C-O 3.53Å; N89-F252 VanDerWaalsContact CA-O 3.31Å; N89-F252 WeakPolarHBondContact CA-O 3.42Å; N89-F252 HydrophobicContact CB-CD1 4.29Å; N89-F252 HydrophobicContact CB-CD2 3.84Å; N89-F252 HydrophobicContact CB-CE1 4.07Å; N89-F252 HydrophobicContact CB-CE2 3.59Å; N89-F252 HydrophobicContact CB-CG 4.16Å; N89-F252 HydrophobicContact CB-CZ 3.7Å; N89-F252 VanDerWaalsContact CG-CE1 3.49Å; N89-F252 VanDerWaalsContact OD1-CD1 3.24Å; N89-F252 WeakPolarHBondContact OD1-CD1 3.45Å; N89-F252 WeakPolarHBondContact OD1-CE1 3.19Å; N89-F252 PolarHBondContact OD1-N 2.63Å; I90-F252 PolarHBondContact N-O 3.36Å; I91-F252 HydrophobicContact CD1-CE2 4.14Å; I91-F252 HydrophobicContact CD1-CZ 4.32Å; I91-F252 HydrophobicContact CG1-CE2 3.71Å; I91-F252 HydrophobicContact CG1-CZ 4.38Å; Y187-F252 VanDerWaalsContact CD1-C 3.5Å; T188-F252 CarbonylContact O-C 3.56Å; T188-F252 WeakPolarHBondContact O-CA 3.46Å; T188-F252 VanDerWaalsContact O-CB 3.24Å; T188-F252 WeakPolarHBondContact O-CB 3.14Å; L245-F252 HydrophobicContact CD1-CE1 4.25Å; L245-F252 HydrophobicContact CD1-CE2 3.82Å; L245-F252 HydrophobicContact CD1-CZ 3.69Å; M248-F252 HydrophobicContact CB-CB 4.2Å; M248-F252 HydrophobicContact CB-CD1 3.75Å; M248-F252 HydrophobicContact CB-CE1 4.41Å; M248-F252 HydrophobicContact CB-CG 4.1Å; M248-F252 HydrophobicContact CE-CB 3.56Å; M248-F252 HydrophobicContact CE-CD2 4.42Å; M248-F252 HydrophobicContact CE-CG 4.08Å; M248-F252 HydrophobicContact SD-CB 4.34Å; M248-F252 HydrophobicContact SD-CD2 4.37Å; M248-F252 HydrophobicContact SD-CG 4.23Å; Q250-F252 HydrophobicContact CG-CD1 3.87Å; Q250-F252 HydrophobicContact CG-CE1 3.9Å; F252-A254 HydrophobicContact CD2-CB 3.7Å; F252-A254 HydrophobicContact CE2-CB 3.91Å; F252-L311 HydrophobicContact CE1-CD2 3.8Å; F252-L311 HydrophobicContact CZ-CD1 4.32Å; F252-L311 HydrophobicContact CZ-CD2 3.99Å
253Y98.9Very high97.7Very high1 Ų114.8 Ų14.80%0.0047%0.068CC..EExtended strand (participates in β ladder)trans-114.8108168.9173.9-98.1000108.5I90 Y92 E153 P178 F181 T188 T189 A190 Y211I90-Y253 HydrophobicContact CB-CD2 3.82Å; I90-Y253 HydrophobicContact CD1-CD2 4.12Å; I90-Y253 HydrophobicContact CG2-CD2 3.71Å; I90-Y253 HydrophobicContact CG2-CE2 3.95Å; I90-Y253 WeakPolarHBondContact O-CA 3.15Å; Y92-Y253 AromaticContact CD2-CE2 3.6Å; Y92-Y253 HydrophobicContact CD2-CE2 3.6Å; Y92-Y253 AromaticContact CD2-CZ 3.74Å; Y92-Y253 WeakPolarHBondContact CD2-OH 3.2Å; Y92-Y253 AromaticContact CE2-CE2 3.56Å; Y92-Y253 HydrophobicContact CE2-CE2 3.56Å; Y92-Y253 AromaticContact CE2-CZ 3.79Å; Y92-Y253 WeakPolarHBondContact CE2-OH 3.28Å; E153-Y253 PolarHBondContact OE1-OH 3.45Å; E153-Y253 PolarHBondContact OE2-OH 2.91Å; P178-Y253 HydrophobicContact CG-CD1 4.38Å; P178-Y253 HydrophobicContact CG-CE1 3.97Å; F181-Y253 AromaticContact CD2-CD2 3.63Å; F181-Y253 HydrophobicContact CD2-CD2 3.63Å; F181-Y253 HydrophobicContact CD2-CE2 4.05Å; F181-Y253 AromaticContact CD2-CG 3.91Å; F181-Y253 HydrophobicContact CD2-CG 3.91Å; F181-Y253 AromaticContact CE2-CD2 3.69Å; F181-Y253 HydrophobicContact CE2-CD2 3.69Å; F181-Y253 AromaticContact CE2-CE2 3.8Å; F181-Y253 HydrophobicContact CE2-CE2 3.8Å; F181-Y253 HydrophobicContact CE2-CG 4.43Å; F181-Y253 HydrophobicContact CG-CD2 4.46Å; T188-Y253 PolarHBondContact O-N 3.08Å; T189-Y253 CarbonylContact C-O 3.42Å; T189-Y253 WeakPolarHBondContact CA-O 3.48Å; T189-Y253 HydrophobicContact CG2-CD1 4.45Å; A190-Y253 PolarHBondContact N-O 2.75Å; Y211-Y253 AromaticContact CE1-CD1 4Å; Y211-Y253 HydrophobicContact CE1-CD1 4Å; Y211-Y253 AromaticContact CE1-CE1 3.88Å; Y211-Y253 HydrophobicContact CE1-CE1 3.88Å; Y211-Y253 AromaticContact CZ-CE1 3.74Å; Y211-Y253 VanDerWaalsContact OH-CE1 3.25Å; Y211-Y253 WeakPolarHBondContact OH-CE1 3.46Å
254A98.9Very high97.3Very high0 Ų014.8 Ų14.80%07%0.073CC..EExtended strand (participates in β ladder)trans-122.5127.9-172.500000111.1I90 I91 Y92 A190 F192 L245 M248 F252 F256I90-A254 PolarHBondContact O-N 3.42Å; I91-A254 CarbonylContact C-O 3.5Å; I91-A254 WeakPolarHBondContact CA-O 3.46Å; Y92-A254 PolarHBondContact N-O 2.86Å; A190-A254 CarbonylContact O-C 3.24Å; A190-A254 VanDerWaalsContact O-CA 3.28Å; A190-A254 WeakPolarHBondContact O-CA 3.34Å; F192-A254 HydrophobicContact CE2-CB 4Å; L245-A254 HydrophobicContact CD1-CB 4.37Å; M248-A254 HydrophobicContact SD-CB 4.2Å; F252-A254 HydrophobicContact CD2-CB 3.7Å; F252-A254 HydrophobicContact CE2-CB 3.91Å; A254-F256 HydrophobicContact CB-CE2 3.97Å
255K98.9Very high96.8Very high2 Ų214 Ų141%0.0097%0.069CC..EExtended strand (participates in β ladder)trans-115121.8176.8-17817566.3-176.70112.1E149 E153 A190 A191 F192 Y206 Y211 L257E149-K255 IonicContact OE2-NZ 3.52Å; E149-K255 PolarHBondContact OE2-NZ 3.06Å; E153-K255 WeakPolarHBondContact OE1-CE 3.36Å; E153-K255 IonicContact OE1-NZ 2.9Å; E153-K255 PolarHBondContact OE1-NZ 2.62Å; A190-K255 PolarHBondContact O-N 3.36Å; A191-K255 CarbonylContact C-O 3.53Å; A191-K255 WeakPolarHBondContact CA-O 3.4Å; F192-K255 PolarHBondContact N-O 2.99Å; Y206-K255 VanDerWaalsContact OH-CE 3.26Å; Y206-K255 WeakPolarHBondContact OH-CE 3.5Å; Y206-K255 PolarHBondContact OH-NZ 3.49Å; Y206-K255 VanDerWaalsContact OH-NZ 3.13Å; Y211-K255 WeakPolarHBondContact OH-CB 3.4Å; Y211-K255 VanDerWaalsContact OH-CE 3.27Å; Y211-K255 WeakPolarHBondContact OH-CE 3.43Å; K255-L257 HydrophobicContact CD-CD2 4.23Å; K255-L257 HydrophobicContact CD-CG 4.5Å; K255-L257 HydrophobicContact CG-CD2 4.39Å; K255-L257 HydrophobicContact CG-CG 4.36Å
256F98.9Very high95.5Very high0 Ų015.2 Ų15.20%08%0.078CC..EExtended strand (participates in β ladder)trans-103.1110.3177-68.4-100.3000110.3I91 Y92 H94 F192 F237 F238 L245 A254 A258 F302I91-F256 HydrophobicContact CG2-CD2 4Å; I91-F256 HydrophobicContact CG2-CE2 4.04Å; Y92-F256 PolarHBondContact O-N 3.34Å; H94-F256 VanDerWaalsContact CB-O 3.22Å; H94-F256 WeakPolarHBondContact CB-O 3.2Å; H94-F256 PolarHBondContact N-O 2.94Å; F192-F256 HydrophobicContact CB-CD1 3.87Å; F192-F256 HydrophobicContact CB-CE1 4.13Å; F192-F256 HydrophobicContact CB-CG 4.35Å; F192-F256 HydrophobicContact CD1-CE1 4.18Å; F192-F256 HydrophobicContact CD2-CD1 4.18Å; F192-F256 HydrophobicContact CD2-CD2 4.23Å; F192-F256 AromaticContact CD2-CE1 3.89Å; F192-F256 HydrophobicContact CD2-CE1 3.89Å; F192-F256 AromaticContact CD2-CE2 3.92Å; F192-F256 HydrophobicContact CD2-CE2 3.92Å; F192-F256 HydrophobicContact CD2-CG 4.33Å; F192-F256 AromaticContact CD2-CZ 3.72Å; F192-F256 HydrophobicContact CD2-CZ 3.72Å; F192-F256 HydrophobicContact CE2-CE1 4.37Å; F192-F256 HydrophobicContact CE2-CE2 4.07Å; F192-F256 AromaticContact CE2-CZ 3.82Å; F192-F256 HydrophobicContact CE2-CZ 3.82Å; F192-F256 HydrophobicContact CG-CD1 4.04Å; F192-F256 AromaticContact CG-CE1 3.8Å; F192-F256 HydrophobicContact CG-CE1 3.8Å; F192-F256 HydrophobicContact CG-CZ 4.1Å; F192-F256 HydrophobicContact CZ-CZ 4.25Å; F237-F256 HydrophobicContact CE1-CB 4.15Å; F237-F256 HydrophobicContact CE1-CD1 4.21Å; F237-F256 HydrophobicContact CZ-CB 4.22Å; F237-F256 HydrophobicContact CZ-CD1 4.02Å; F238-F256 AromaticContact CD1-CD1 3.91Å; F238-F256 HydrophobicContact CD1-CD1 3.91Å; F238-F256 HydrophobicContact CD1-CG 4.46Å; F238-F256 HydrophobicContact CE1-CB 3.71Å; F238-F256 AromaticContact CE1-CD1 3.82Å; F238-F256 HydrophobicContact CE1-CD1 3.82Å; F238-F256 AromaticContact CE1-CG 3.93Å; F238-F256 HydrophobicContact CE1-CG 3.93Å; F238-F256 HydrophobicContact CZ-CB 4.3Å; L245-F256 HydrophobicContact CB-CZ 4.49Å; L245-F256 HydrophobicContact CD1-CE2 4.49Å; L245-F256 HydrophobicContact CD1-CZ 4.19Å; L245-F256 HydrophobicContact CD2-CZ 4.01Å; L245-F256 HydrophobicContact CG-CZ 4.46Å; A254-F256 HydrophobicContact CB-CE2 3.97Å; F256-A258 PolarHBondContact O-N 3.45Å; F256-F302 HydrophobicContact CD2-CE1 4.44Å; F256-F302 HydrophobicContact CD2-CZ 4.23Å; F256-F302 HydrophobicContact CE1-CE2 4.14Å; F256-F302 HydrophobicContact CE1-CZ 4.05Å; F256-F302 HydrophobicContact CE2-CE1 4.4Å; F256-F302 AromaticContact CE2-CZ 3.78Å; F256-F302 HydrophobicContact CE2-CZ 3.78Å; F256-F302 HydrophobicContact CZ-CE2 4.07Å; F256-F302 AromaticContact CZ-CZ 3.7Å; F256-F302 HydrophobicContact CZ-CZ 3.7Å
257L98.7Very high94.5Very high1 Ų121.1 Ų21.11%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-93.284.4177.7-67169.1000110H94 F192 H193 Y206 K255H94-L257 HydrophobicContact CB-CD2 3.95Å; F192-L257 PolarHBondContact O-N 2.8Å; H193-L257 HydrophobicContact CB-CB 3.99Å; H193-L257 HydrophobicContact CB-CD1 4.16Å; H193-L257 WeakPolarHBondContact ND1-CB 3.39Å; H193-L257 PolarHBondContact ND1-O 2.95Å; Y206-L257 VanDerWaalsContact OH-CD1 3.27Å; Y206-L257 WeakPolarHBondContact OH-CD1 3.45Å; K255-L257 HydrophobicContact CD-CD2 4.23Å; K255-L257 HydrophobicContact CD-CG 4.5Å; K255-L257 HydrophobicContact CG-CD2 4.39Å; K255-L257 HydrophobicContact CG-CG 4.36Å
258A97.3Very high94.1Very high1 Ų121 Ų211%0.00811%0.106CC..  trans-64.7157.4168.200000110.6H94 F238 F256H94-A258 PolarHBondContact CD2-O 3.15Å; F238-A258 HydrophobicContact CE2-CB 4.15Å; F238-A258 HydrophobicContact CZ-CB 4.27Å; F256-A258 PolarHBondContact O-N 3.45Å
259V96.4Very high93.6Very high7 Ų722.7 Ų22.74%0.04212%0.117CC..  trans-146.4-8.8-171.873.80000114.7F228 L232 D234 N261 H262F228-V259 HydrophobicContact CE1-CG1 3.86Å; F228-V259 HydrophobicContact CZ-CG1 3.98Å; F228-V259 HydrophobicContact CZ-CG2 4.33Å; F228-V259 WeakPolarHBondContact CZ-O 2.96Å; L232-V259 WeakPolarHBondContact O-CG1 3.21Å; D234-V259 PolarHBondContact OD1-N 2.78Å; V259-N261 PolarHBondContact O-N 3.14Å; V259-H262 HydrophobicContact CG2-CB 4.36Å; V259-H262 WeakPolarHBondContact O-CB 3.29Å; V259-H262 PolarHBondContact O-N 2.79Å
260S95.7Very high93.2Very high2 Ų227.7 Ų27.71%0.01414%0.14CC..SBendtrans-62.2-33.1-172.2-60.20000113.2H233 D234 H262H233-S260 VanDerWaalsContact CA-OG 3.28Å; H233-S260 WeakPolarHBondContact CA-OG 3.37Å; D234-S260 VanDerWaalsContact CG-CB 3.4Å; D234-S260 PolarHBondContact N-OG 3.39Å; D234-S260 WeakPolarHBondContact OD1-CB 3.22Å; D234-S260 PolarHBondContact OD1-N 3.44Å; D234-S260 PolarHBondContact OD1-OG 3.23Å; D234-S260 VanDerWaalsContact OD2-CB 3.29Å; D234-S260 WeakPolarHBondContact OD2-CB 3.28Å; D234-S260 PolarHBondContact OD2-N 2.99Å; D234-S260 PolarHBondContact OD2-OG 3.26Å; S260-H262 PolarHBondContact O-N 3.35Å
261N96.2Very high92.9Very high5 Ų528.3 Ų28.33%0.02715%0.151CC..SBendtrans-79.449174.8-165.849.6000112.9E96 S97 V259 F265 Y288 T291 A292E96-N261 WeakPolarHBondContact O-CB 3.28Å; E96-N261 PolarHBondContact O-ND2 3.35Å; S97-N261 VanDerWaalsContact CB-O 3.3Å; S97-N261 WeakPolarHBondContact CB-O 3.4Å; V259-N261 PolarHBondContact O-N 3.14Å; N261-F265 WeakPolarHBondContact O-CE1 3.47Å; N261-Y288 PolarHBondContact OD1-O 3.43Å; N261-T291 PolarHBondContact OD1-OG1 3.09Å; N261-A292 PolarHBondContact OD1-N 3.33Å
262H94.5Very high92.6Very high34 Ų3427.9 Ų27.916%0.15715%0.146CC..  trans-115.2140.2-178.3-172.3-69.4000111.7E96 Y230 V259 S260 F265E96-H262 HydrophobicContact CG-CB 3.89Å; E96-H262 IonicContact OE1-CD2 2.7Å; E96-H262 IonicContact OE2-CD2 3.13Å; Y230-H262 AromaticContact CD2-ND1 3.62Å; Y230-H262 AromaticContact CE1-CE1 3.73Å; Y230-H262 AromaticContact CE2-CE1 3.59Å; Y230-H262 AromaticContact CE2-ND1 3.36Å; Y230-H262 WeakPolarHBondContact CE2-ND1 3.16Å; Y230-H262 AromaticContact CZ-CE1 3.41Å; Y230-H262 VanDerWaalsContact CZ-CE1 3.41Å; Y230-H262 AromaticContact CZ-ND1 3.71Å; V259-H262 HydrophobicContact CG2-CB 4.36Å; V259-H262 WeakPolarHBondContact O-CB 3.29Å; V259-H262 PolarHBondContact O-N 2.79Å; S260-H262 PolarHBondContact O-N 3.35Å; H262-F265 VanDerWaalsContact O-CA 3.29Å; H262-F265 WeakPolarHBondContact O-CA 3.24Å; H262-F265 PolarHBondContact O-N 2.83Å
263Y89.6Confident92.2Very high91 Ų9130.6 Ų30.636%0.35716%0.158SC..THydrogen-bonded Turntrans-50.6133.4175.4178.8-91.6000112.4Y230 F265 R330Y230-Y263 WeakPolarHBondContact CE2-O 3.24Å; Y263-F265 HydrophobicContact CD2-CE2 4.25Å; Y263-R330 PolarHBondContact OH-NH2 2.95Å
264P90.3Very high91.8Very high47 Ų4733 Ų3331%0.30518%0.183SC..THydrogen-bonded Turncis-90.232.99.338.7-37.8000114.6T284P264-T284 CarbonylContact C-O 3.12Å; P264-T284 HydrophobicContact CB-CG2 4.28Å
265F89.1Confident91.5Very high7 Ų734 Ų343%0.03119%0.187CC..THydrogen-bonded Turntrans56.863.9-179.5-48.6-64.8000111.3N261 H262 Y263 T284 I285 Y288 T291N261-F265 WeakPolarHBondContact O-CE1 3.47Å; H262-F265 VanDerWaalsContact O-CA 3.29Å; H262-F265 WeakPolarHBondContact O-CA 3.24Å; H262-F265 PolarHBondContact O-N 2.83Å; Y263-F265 HydrophobicContact CD2-CE2 4.25Å; F265-T284 VanDerWaalsContact CD2-O 3.26Å; F265-T284 WeakPolarHBondContact CD2-O 3.48Å; F265-I285 HydrophobicContact CD2-CD1 4.26Å; F265-I285 HydrophobicContact CE2-CD1 3.82Å; F265-Y288 AromaticContact CD1-CD2 3.83Å; F265-Y288 HydrophobicContact CD1-CD2 3.83Å; F265-Y288 HydrophobicContact CD2-CD2 4.14Å; F265-Y288 HydrophobicContact CD2-CG 4.49Å; F265-Y288 AromaticContact CE1-CD2 3.46Å; F265-Y288 HydrophobicContact CE1-CD2 3.46Å; F265-Y288 VanDerWaalsContact CE1-CD2 3.46Å; F265-Y288 AromaticContact CE1-CE2 3.99Å; F265-Y288 HydrophobicContact CE1-CE2 3.99Å; F265-Y288 AromaticContact CE2-CD2 3.79Å; F265-Y288 HydrophobicContact CE2-CD2 3.79Å; F265-Y288 HydrophobicContact CE2-CG 4.37Å; F265-Y288 HydrophobicContact CG-CD2 4.18Å; F265-Y288 AromaticContact CZ-CD2 3.44Å; F265-Y288 HydrophobicContact CZ-CD2 3.44Å; F265-Y288 VanDerWaalsContact CZ-CD2 3.44Å; F265-Y288 AromaticContact CZ-CE2 3.97Å; F265-Y288 HydrophobicContact CZ-CE2 3.97Å; F265-Y288 HydrophobicContact CZ-CG 4.43Å; F265-T291 HydrophobicContact CB-CG2 4.22Å
266S71.1Confident91.1Very high27 Ų2734.6 Ų34.619%0.18919%0.191CC..PPolyproline II helixtrans-48.3154.1-168.4-41.60000114.3F228 L268F228-S266 WeakPolarHBondContact CD2-OG 3.46Å; F228-S266 WeakPolarHBondContact CE2-OG 3.47Å; S266-L268 PolarHBondContact O-N 3.02Å; S266-L268 VanDerWaalsContact O-N 3.12Å
267E78.4Confident90.6Very high127 Ų12739.8 Ų39.859%0.59321%0.214SC*.PPolyproline II helixtrans-53.6117.6168.8-74.6-105.5128.200110.8K273 K277E267-K273 IonicContact OE1-NZ 3.45Å; E267-K273 WeakPolarHBondContact OE2-CE 3.42Å; E267-K273 IonicContact OE2-NZ 2.67Å; E267-K273 PolarHBondContact OE2-NZ 3.03Å; E267-K277 IonicContact OE1-NZ 3.46Å
268L89.3Confident90Very high16 Ų1640.3 Ų40.38%0.08422%0.217CC..PPolyproline II helixtrans-69.1154.8170.4-65.8174.5000110.7S266 E272 K273 A290 T291 Y294S266-L268 PolarHBondContact O-N 3.02Å; S266-L268 VanDerWaalsContact O-N 3.12Å; L268-E272 HydrophobicContact CB-CB 4.18Å; L268-K273 WeakPolarHBondContact O-CE 3.48Å; L268-A290 HydrophobicContact CD1-CB 4.48Å; L268-T291 HydrophobicContact CD2-CG2 4.2Å; L268-T291 HydrophobicContact CG-CG2 4.31Å; L268-Y294 HydrophobicContact CD1-CD2 4.32Å; L268-Y294 HydrophobicContact CD1-CG 4.14Å; L268-Y294 HydrophobicContact CD2-CD1 3.95Å; L268-Y294 HydrophobicContact CD2-CD2 4.22Å; L268-Y294 HydrophobicContact CD2-CE1 4.39Å; L268-Y294 HydrophobicContact CD2-CG 3.84Å
269P88.7Confident89.3Confident38 Ų3847.4 Ų47.425%0.24726%0.255CS..PPolyproline II helixtrans-51.9145.7172-25.534.4000111.6A271 E272 K273P269-A271 PolarHBondContact O-N 2.95Å; P269-E272 HydrophobicContact CB-CG 4.32Å; P269-E272 HydrophobicContact CG-CG 4.48Å; P269-E272 WeakPolarHBondContact O-CA 3.47Å; P269-E272 WeakPolarHBondContact O-CB 3.15Å; P269-E272 PolarHBondContact O-N 2.81Å; P269-K273 PolarHBondContact O-N 3.21Å
270E90.2Very high88.6Confident116 Ų11649.1 Ų49.154%0.54226%0.263SS..THydrogen-bonded Turntrans-54.9-31.4-173.9-17753-136.900114.2E272 K273 K529E270-E272 VanDerWaalsContact C-N 3.28Å; E270-E272 PolarHBondContact O-N 2.94Å; E270-K273 WeakPolarHBondContact OE2-CD 3.14Å; E270-K273 IonicContact OE2-NZ 2.9Å; E270-K273 PolarHBondContact OE2-NZ 3.5Å; E270-K529 WeakPolarHBondContact O-CE 3.07Å; E270-K529 PolarHBondContact O-NZ 3.46Å; E270-K529 IonicContact OE1-NZ 2.78Å; E270-K529 PolarHBondContact OE1-NZ 2.85Å
271A91.6Very high87.8Confident42 Ų4252.5 Ų52.535%0.34730%0.299SS..THydrogen-bonded Turntrans-73.3-21.5177.100000113.4P269 T527 K529P269-A271 PolarHBondContact O-N 2.95Å; A271-T527 HydrophobicContact CB-CG2 3.61Å; A271-T527 WeakPolarHBondContact O-CB 3.46Å; A271-K529 PolarHBondContact O-N 3.47Å
272E94Very high87.1Confident21 Ų2153.8 Ų53.810%0.09831%0.306CS..THydrogen-bonded Turntrans-95.8-5.1179.7-59.1-66.7-177.700112.7K235 L268 P269 E270 Y294 T527 F528K235-E272 WeakPolarHBondContact CD-OE1 3.46Å; K235-E272 VanDerWaalsContact NZ-CD 3.31Å; K235-E272 IonicContact NZ-OE1 3.71Å; K235-E272 PolarHBondContact NZ-OE1 3.49Å; K235-E272 VanDerWaalsContact NZ-OE1 3.13Å; K235-E272 IonicContact NZ-OE2 3.28Å; K235-E272 PolarHBondContact NZ-OE2 2.69Å; L268-E272 HydrophobicContact CB-CB 4.18Å; P269-E272 HydrophobicContact CB-CG 4.32Å; P269-E272 HydrophobicContact CG-CG 4.48Å; P269-E272 WeakPolarHBondContact O-CA 3.47Å; P269-E272 WeakPolarHBondContact O-CB 3.15Å; P269-E272 PolarHBondContact O-N 2.81Å; E270-E272 VanDerWaalsContact C-N 3.28Å; E270-E272 PolarHBondContact O-N 2.94Å; E272-Y294 HydrophobicContact CB-CD2 4.02Å; E272-Y294 HydrophobicContact CB-CE2 3.97Å; E272-Y294 HydrophobicContact CG-CD2 4.13Å; E272-Y294 HydrophobicContact CG-CE2 3.59Å; E272-T527 WeakPolarHBondContact OE1-CA 3.49Å; E272-F528 WeakPolarHBondContact O-CB 3.45Å; E272-F528 PolarHBondContact OE2-N 2.77Å
273K90.6Very high86.5Confident58 Ų5856.8 Ų56.825%0.25233%0.33SS..  trans-75142.6172.1-63.5-173.7-173.6177.30110.5E267 L268 P269 E270 K529E267-K273 IonicContact OE1-NZ 3.45Å; E267-K273 WeakPolarHBondContact OE2-CE 3.42Å; E267-K273 IonicContact OE2-NZ 2.67Å; E267-K273 PolarHBondContact OE2-NZ 3.03Å; L268-K273 WeakPolarHBondContact O-CE 3.48Å; P269-K273 PolarHBondContact O-N 3.21Å; E270-K273 WeakPolarHBondContact OE2-CD 3.14Å; E270-K273 IonicContact OE2-NZ 2.9Å; E270-K273 PolarHBondContact OE2-NZ 3.5Å; K273-K529 WeakPolarHBondContact O-CE 3.38Å
274G89.1Confident86.1Confident52 Ų5253.9 Ų53.954%0.53632%0.322SS..  trans149.5-18.9171.800000114.1F528G274-F528 VanDerWaalsContact C-CZ 3.46Å; G274-F528 VanDerWaalsContact CA-CE1 3.4Å
275F93.4Very high85.9Confident20 Ų2051.7 Ų51.79%0.08831%0.308CS..SBendtrans-65.3137.6168.1-165.4-93.3000109.6L107 H115 V117 F289 A290 N293 F528L107-F275 HydrophobicContact CB-CE1 4.42Å; L107-F275 HydrophobicContact CD2-CE1 3.93Å; H115-F275 HydrophobicContact CB-CE2 3.84Å; H115-F275 HydrophobicContact CB-CZ 3.95Å; V117-F275 HydrophobicContact CB-CZ 4.35Å; V117-F275 HydrophobicContact CG2-CE1 4.18Å; V117-F275 HydrophobicContact CG2-CZ 3.93Å; F275-F289 HydrophobicContact CE1-CB 4.01Å; F275-A290 HydrophobicContact CB-CB 4.32Å; F275-A290 HydrophobicContact CD1-CB 4.38Å; F275-N293 HydrophobicContact CB-CB 4.49Å; F275-N293 HydrophobicContact CD1-CB 4.11Å; F275-N293 HydrophobicContact CD2-CB 3.77Å; F275-N293 WeakPolarHBondContact CD2-OD1 3.42Å; F275-N293 HydrophobicContact CE1-CB 4.33Å; F275-N293 HydrophobicContact CE2-CB 3.98Å; F275-N293 WeakPolarHBondContact CE2-ND2 3.44Å; F275-N293 HydrophobicContact CG-CB 3.84Å; F275-N293 HydrophobicContact CZ-CB 4.27Å; F275-F528 HydrophobicContact CB-CE2 3.9Å; F275-F528 HydrophobicContact CB-CZ 4.14Å; F275-F528 HydrophobicContact CD2-CE2 4.19Å; F275-F528 VanDerWaalsContact N-CZ 3.32Å
276P90.9Very high85.8Confident15 Ų1552.8 Ų52.810%0.09731%0.314CS..  trans-57.4147.3-179-22.832000112.3L107 D109L107-P276 HydrophobicContact CD2-CB 3.94Å; L107-P276 WeakPolarHBondContact CD2-O 3.39Å; L107-P276 HydrophobicContact CG-CB 4.45Å; D109-P276 HydrophobicContact CB-CB 3.95Å; D109-P276 HydrophobicContact CB-CG 3.73Å
277K88.5Confident86.8Confident108 Ų10851.8 Ų51.847%0.4731%0.308SS..  trans-106.2154.7171.5-66.7-173.2179.5-176.40109.2E267 D286E267-K277 IonicContact OE1-NZ 3.46Å; K277-D286 HydrophobicContact CB-CB 4.48Å; K277-D286 WeakPolarHBondContact CB-O 3.42Å; K277-D286 HydrophobicContact CD-CB 4.42Å; K277-D286 WeakPolarHBondContact CG-O 3.46Å
278V85.7Confident87.5Confident13 Ų1345.7 Ų45.78%0.07928%0.28CS..  trans-76.9151.8165.3-67.50000109.8L107 I280 D286 F289 L337L107-V278 HydrophobicContact CD1-CG1 3.43Å; L107-V278 VanDerWaalsContact CD1-CG1 3.43Å; L107-V278 HydrophobicContact CD2-CG1 4.36Å; V278-I280 HydrophobicContact CB-CG2 4.23Å; V278-I280 HydrophobicContact CG2-CG1 4.29Å; V278-I280 HydrophobicContact CG2-CG2 4.39Å; V278-D286 WeakPolarHBondContact O-CB 3.36Å; V278-D286 VanDerWaalsContact O-CG 3.24Å; V278-F289 HydrophobicContact CB-CE2 4.43Å; V278-F289 HydrophobicContact CG1-CD2 3.62Å; V278-F289 HydrophobicContact CG1-CE2 3.45Å; V278-F289 VanDerWaalsContact CG1-CE2 3.45Å; V278-F289 HydrophobicContact CG2-CD2 4.2Å; V278-F289 HydrophobicContact CG2-CE2 4.11Å; V278-L337 HydrophobicContact CB-CD2 4.35Å; V278-L337 HydrophobicContact CG1-CD2 3.69Å
279D82.9Confident87.8Confident149 Ų14945 Ų4580%0.79728%0.276SS*.  trans-11984.5170-1768.2000108.4
280I81.1Confident88.1Confident43 Ų4343.6 Ų43.622%0.22127%0.268CS..SBendtrans-109.59.6179.461.5167.5000112.2V278 D282 I285 T334 L337V278-I280 HydrophobicContact CB-CG2 4.23Å; V278-I280 HydrophobicContact CG2-CG1 4.29Å; V278-I280 HydrophobicContact CG2-CG2 4.39Å; I280-D282 HydrophobicContact CG1-CB 4.45Å; I280-D282 PolarHBondContact O-N 3.43Å; I280-I285 HydrophobicContact CD1-CB 4.06Å; I280-I285 HydrophobicContact CD1-CG2 3.87Å; I280-T334 HydrophobicContact CD1-CG2 3.5Å; I280-T334 VanDerWaalsContact CD1-CG2 3.5Å; I280-L337 HydrophobicContact CD1-CD1 4.19Å; I280-L337 HydrophobicContact CG2-CD2 4.37Å
281G78.9Confident88.3Confident73 Ų7338.1 Ų38.175%0.75324%0.242SC*.SBendtrans73.25-176.700000115.6
282D80.5Confident88.6Confident33 Ų3336.2 Ų36.218%0.17623%0.226CC..  trans-116.192.7170.9-175.1-3.5000111I280 T284 I285 D286 R330I280-D282 HydrophobicContact CG1-CB 4.45Å; I280-D282 PolarHBondContact O-N 3.43Å; D282-T284 VanDerWaalsContact CG-OG1 3.25Å; D282-T284 PolarHBondContact O-N 2.95Å; D282-T284 WeakPolarHBondContact OD1-CB 3.36Å; D282-T284 PolarHBondContact OD1-N 3.38Å; D282-T284 PolarHBondContact OD1-OG1 3.07Å; D282-T284 PolarHBondContact OD2-OG1 2.89Å; D282-I285 PolarHBondContact O-N 3.02Å; D282-D286 PolarHBondContact O-N 3.29Å; D282-D286 VanDerWaalsContact O-OD1 3.05Å; D282-R330 WeakPolarHBondContact OD2-CD 3.38Å; D282-R330 IonicContact OD2-CZ 3.58Å; D282-R330 IonicContact OD2-NE 2.76Å; D282-R330 PolarHBondContact OD2-NE 2.83Å
283S82.3Confident88.8Confident97 Ų9735.8 Ų35.868%0.67823%0.225SC*.THydrogen-bonded Turntrans-53.4-17176.362.70000115.5I285 D286S283-I285 VanDerWaalsContact C-N 3.3Å; S283-D286 WeakPolarHBondContact CA-OD2 3.47Å
284T80.6Confident89.1Confident30 Ų3033.5 Ų33.518%0.18421%0.214CC..THydrogen-bonded Turntrans-81.3-8.1176.370.60000113.7P264 F265 D282 R330P264-T284 CarbonylContact C-O 3.12Å; P264-T284 HydrophobicContact CB-CG2 4.28Å; F265-T284 VanDerWaalsContact CD2-O 3.26Å; F265-T284 WeakPolarHBondContact CD2-O 3.48Å; D282-T284 VanDerWaalsContact CG-OG1 3.25Å; D282-T284 PolarHBondContact O-N 2.95Å; D282-T284 WeakPolarHBondContact OD1-CB 3.36Å; D282-T284 PolarHBondContact OD1-N 3.38Å; D282-T284 PolarHBondContact OD1-OG1 3.07Å; D282-T284 PolarHBondContact OD2-OG1 2.89Å; T284-R330 PolarHBondContact OG1-NE 2.77Å; T284-R330 PolarHBondContact OG1-NH2 2.74Å
285I86.9Confident89.5Confident0 Ų031.2 Ų31.20%019%0.19CC..THydrogen-bonded Turntrans-118.2-23178.3-59.3-58.9000112F265 I280 D282 S283 G287 Y288 I326 T334 L337F265-I285 HydrophobicContact CD2-CD1 4.26Å; F265-I285 HydrophobicContact CE2-CD1 3.82Å; I280-I285 HydrophobicContact CD1-CB 4.06Å; I280-I285 HydrophobicContact CD1-CG2 3.87Å; D282-I285 PolarHBondContact O-N 3.02Å; S283-I285 VanDerWaalsContact C-N 3.3Å; I285-G287 PolarHBondContact O-N 3.4Å; I285-Y288 WeakPolarHBondContact O-CB 3.41Å; I285-Y288 PolarHBondContact O-N 3.35Å; I285-I326 HydrophobicContact CD1-CG1 4.41Å; I285-I326 HydrophobicContact CG2-CD1 4.23Å; I285-I326 HydrophobicContact CG2-CG1 4.48Å; I285-T334 HydrophobicContact CG1-CG2 4.47Å; I285-T334 HydrophobicContact CG2-CG2 4.12Å; I285-L337 HydrophobicContact CG2-CD1 4.31Å
286D86.9Confident89.7Confident30 Ų3030.4 Ų30.416%0.1619%0.187CC..THydrogen-bonded Turntrans-51.4-31.9179.8-63.3-7.5000113.5K277 V278 D282 S283K277-D286 HydrophobicContact CB-CB 4.48Å; K277-D286 WeakPolarHBondContact CB-O 3.42Å; K277-D286 HydrophobicContact CD-CB 4.42Å; K277-D286 WeakPolarHBondContact CG-O 3.46Å; V278-D286 WeakPolarHBondContact O-CB 3.36Å; V278-D286 VanDerWaalsContact O-CG 3.24Å; D282-D286 PolarHBondContact O-N 3.29Å; D282-D286 VanDerWaalsContact O-OD1 3.05Å; S283-D286 WeakPolarHBondContact CA-OD2 3.47Å
287G91.3Very high90.1Very high6 Ų630.5 Ų30.56%0.06219%0.187CC..THydrogen-bonded Turntrans-78.2-14.617800000115.7I285 F289 A290 T291I285-G287 PolarHBondContact O-N 3.4Å; G287-F289 PolarHBondContact O-N 3.34Å; G287-A290 PolarHBondContact O-N 2.95Å; G287-A290 VanDerWaalsContact O-N 3.12Å; G287-T291 PolarHBondContact O-N 2.83Å; G287-T291 PolarHBondContact O-OG1 3.13Å; G287-T291 VanDerWaalsContact O-OG1 3.09Å
288Y94.4Very high90.6Very high0 Ų025.4 Ų25.40%017%0.165CC..Hα-helixtrans-55.3-49.4-168.3178.2-114.6000113.2S97 H99 F101 L102 N261 F265 I285 T291 A292 I326S97-Y288 WeakPolarHBondContact O-CE2 3.48Å; S97-Y288 PolarHBondContact O-OH 3.3Å; H99-Y288 PolarHBondContact CD2-OH 3.38Å; H99-Y288 PolarHBondContact N-OH 3.38Å; F101-Y288 HydrophobicContact CE1-CE1 4.27Å; F101-Y288 HydrophobicContact CE2-CE1 4.5Å; F101-Y288 AromaticContact CZ-CE1 3.66Å; F101-Y288 HydrophobicContact CZ-CE1 3.66Å; L102-Y288 HydrophobicContact CD1-CE1 4.16Å; L102-Y288 VanDerWaalsContact CD1-OH 3.24Å; L102-Y288 WeakPolarHBondContact CD1-OH 3.32Å; L102-Y288 HydrophobicContact CD2-CD1 4.48Å; L102-Y288 HydrophobicContact CD2-CE1 3.67Å; L102-Y288 HydrophobicContact CG-CE1 4.1Å; N261-Y288 PolarHBondContact OD1-O 3.43Å; F265-Y288 AromaticContact CD1-CD2 3.83Å; F265-Y288 HydrophobicContact CD1-CD2 3.83Å; F265-Y288 HydrophobicContact CD2-CD2 4.14Å; F265-Y288 HydrophobicContact CD2-CG 4.49Å; F265-Y288 AromaticContact CE1-CD2 3.46Å; F265-Y288 HydrophobicContact CE1-CD2 3.46Å; F265-Y288 VanDerWaalsContact CE1-CD2 3.46Å; F265-Y288 AromaticContact CE1-CE2 3.99Å; F265-Y288 HydrophobicContact CE1-CE2 3.99Å; F265-Y288 AromaticContact CE2-CD2 3.79Å; F265-Y288 HydrophobicContact CE2-CD2 3.79Å; F265-Y288 HydrophobicContact CE2-CG 4.37Å; F265-Y288 HydrophobicContact CG-CD2 4.18Å; F265-Y288 AromaticContact CZ-CD2 3.44Å; F265-Y288 HydrophobicContact CZ-CD2 3.44Å; F265-Y288 VanDerWaalsContact CZ-CD2 3.44Å; F265-Y288 AromaticContact CZ-CE2 3.97Å; F265-Y288 HydrophobicContact CZ-CE2 3.97Å; F265-Y288 HydrophobicContact CZ-CG 4.43Å; I285-Y288 WeakPolarHBondContact O-CB 3.41Å; I285-Y288 PolarHBondContact O-N 3.35Å; Y288-T291 PolarHBondContact O-N 3.39Å; Y288-T291 PolarHBondContact O-OG1 3.26Å; Y288-A292 WeakPolarHBondContact O-CB 3.47Å; Y288-A292 PolarHBondContact O-N 2.96Å; Y288-I326 HydrophobicContact CD1-CD1 4.05Å; Y288-I326 HydrophobicContact CD1-CG1 4.4Å; Y288-I326 HydrophobicContact CE1-CD1 4.13Å; Y288-I326 HydrophobicContact CE1-CG1 4.4Å
289F95Very high91.2Very high0 Ų024.8 Ų24.80%016%0.161CC..Hα-helixtrans-70.9-36-179.6-59.7-77.1000112.4F101 L102 Y105 L107 V117 F275 V278 G287 A292 N293 L337F101-F289 AromaticContact CE2-CE1 3.96Å; F101-F289 HydrophobicContact CE2-CE1 3.96Å; F101-F289 HydrophobicContact CE2-CZ 4.21Å; F101-F289 HydrophobicContact CZ-CE1 4.47Å; L102-F289 HydrophobicContact CD2-CD1 3.95Å; L102-F289 HydrophobicContact CD2-CE1 3.98Å; Y105-F289 HydrophobicContact CD1-CD1 4.06Å; Y105-F289 AromaticContact CD1-CE1 3.64Å; Y105-F289 HydrophobicContact CD1-CE1 3.64Å; Y105-F289 HydrophobicContact CD1-CZ 4.5Å; Y105-F289 HydrophobicContact CE1-CD1 4.04Å; Y105-F289 AromaticContact CE1-CE1 3.39Å; Y105-F289 HydrophobicContact CE1-CE1 3.39Å; Y105-F289 AromaticContact CE1-CZ 3.82Å; Y105-F289 HydrophobicContact CE1-CZ 3.82Å; Y105-F289 HydrophobicContact CG-CE1 4.33Å; Y105-F289 AromaticContact CZ-CE1 3.93Å; L107-F289 HydrophobicContact CD2-CB 3.94Å; L107-F289 HydrophobicContact CD2-CD2 4.29Å; L107-F289 HydrophobicContact CD2-CG 4.19Å; V117-F289 HydrophobicContact CG1-CB 4.25Å; V117-F289 HydrophobicContact CG1-CD1 4.14Å; V117-F289 HydrophobicContact CG2-CB 4.29Å; V117-F289 HydrophobicContact CG2-CD1 3.77Å; V117-F289 HydrophobicContact CG2-CG 4.43Å; F275-F289 HydrophobicContact CE1-CB 4.01Å; V278-F289 HydrophobicContact CB-CE2 4.43Å; V278-F289 HydrophobicContact CG1-CD2 3.62Å; V278-F289 HydrophobicContact CG1-CE2 3.45Å; V278-F289 VanDerWaalsContact CG1-CE2 3.45Å; V278-F289 HydrophobicContact CG2-CD2 4.2Å; V278-F289 HydrophobicContact CG2-CE2 4.11Å; G287-F289 PolarHBondContact O-N 3.34Å; F289-A292 PolarHBondContact O-N 3.24Å; F289-N293 WeakPolarHBondContact O-CB 3.45Å; F289-N293 PolarHBondContact O-N 3.07Å; F289-L337 HydrophobicContact CE2-CD1 3.84Å; F289-L337 HydrophobicContact CE2-CD2 4.04Å; F289-L337 HydrophobicContact CE2-CG 4.43Å; F289-L337 HydrophobicContact CZ-CB 4.25Å; F289-L337 HydrophobicContact CZ-CD1 4.05Å; F289-L337 HydrophobicContact CZ-CD2 4.17Å; F289-L337 HydrophobicContact CZ-CG 4.4Å
290A94.7Very high91.9Very high10 Ų1020.8 Ų20.88%0.08314%0.135CC..Hα-helixtrans-66.8-41.1176.400000111.6L268 F275 G287 N293 Y294L268-A290 HydrophobicContact CD1-CB 4.48Å; F275-A290 HydrophobicContact CB-CB 4.32Å; F275-A290 HydrophobicContact CD1-CB 4.38Å; G287-A290 PolarHBondContact O-N 2.95Å; G287-A290 VanDerWaalsContact O-N 3.12Å; A290-N293 PolarHBondContact O-N 2.73Å; A290-Y294 WeakPolarHBondContact O-CB 3.33Å; A290-Y294 PolarHBondContact O-N 2.93Å
291T95.7Very high92.8Very high1 Ų118.7 Ų18.71%0.00612%0.124CC..Hα-helixtrans-69.8-37.7175.351.30000112N261 F265 L268 G287 Y288 Y294 T295N261-T291 PolarHBondContact OD1-OG1 3.09Å; F265-T291 HydrophobicContact CB-CG2 4.22Å; L268-T291 HydrophobicContact CD2-CG2 4.2Å; L268-T291 HydrophobicContact CG-CG2 4.31Å; G287-T291 PolarHBondContact O-N 2.83Å; G287-T291 PolarHBondContact O-OG1 3.13Å; G287-T291 VanDerWaalsContact O-OG1 3.09Å; Y288-T291 PolarHBondContact O-N 3.39Å; Y288-T291 PolarHBondContact O-OG1 3.26Å; T291-Y294 PolarHBondContact O-N 3.12Å; T291-T295 PolarHBondContact O-N 2.7Å; T291-T295 PolarHBondContact O-OG1 3.42Å
292A97.1Very high93.7Very high1 Ų115.2 Ų15.21%0.0089%0.089CC..Hα-helixtrans-61.9-44.217300000112.1L102 V117 M118 N261 Y288 F289 Y294 T295 D296L102-A292 HydrophobicContact CD1-CB 3.98Å; V117-A292 HydrophobicContact CG1-CB 3.83Å; M118-A292 HydrophobicContact CG-CB 4.47Å; N261-A292 PolarHBondContact OD1-N 3.33Å; Y288-A292 WeakPolarHBondContact O-CB 3.47Å; Y288-A292 PolarHBondContact O-N 2.96Å; F289-A292 PolarHBondContact O-N 3.24Å; A292-Y294 VanDerWaalsContact C-N 3.35Å; A292-Y294 PolarHBondContact O-N 2.91Å; A292-T295 PolarHBondContact O-N 3.26Å; A292-D296 PolarHBondContact O-N 2.68Å
293N97.3Very high94.6Very high13 Ų1313.7 Ų13.77%0.078%0.08CC..Hα-helixtrans-64.7-37.8175.8-177.5-100.6000112.8V117 F275 F289 A290 D296 T297V117-N293 WeakPolarHBondContact O-CA 3.37Å; V117-N293 VanDerWaalsContact O-CB 3.31Å; V117-N293 WeakPolarHBondContact O-CB 3.31Å; V117-N293 PolarHBondContact O-ND2 3.37Å; F275-N293 HydrophobicContact CB-CB 4.49Å; F275-N293 HydrophobicContact CD1-CB 4.11Å; F275-N293 HydrophobicContact CD2-CB 3.77Å; F275-N293 WeakPolarHBondContact CD2-OD1 3.42Å; F275-N293 HydrophobicContact CE1-CB 4.33Å; F275-N293 HydrophobicContact CE2-CB 3.98Å; F275-N293 WeakPolarHBondContact CE2-ND2 3.44Å; F275-N293 HydrophobicContact CG-CB 3.84Å; F275-N293 HydrophobicContact CZ-CB 4.27Å; F289-N293 WeakPolarHBondContact O-CB 3.45Å; F289-N293 PolarHBondContact O-N 3.07Å; A290-N293 PolarHBondContact O-N 2.73Å; N293-D296 PolarHBondContact O-N 2.93Å; N293-T297 PolarHBondContact O-N 3.25Å; N293-T297 PolarHBondContact O-OG1 3.46Å
294Y97.3Very high95.4Very high9 Ų912.4 Ų12.44%0.0357%0.066CC..Hα-helixtrans-63-44.9174177.1-94.7000111.8H233 D234 K235 P236 L268 E272 A290 T291 A292 T297 A298H233-Y294 HydrophobicContact CB-CE1 4.04Å; H233-Y294 WeakPolarHBondContact CB-OH 3.42Å; D234-Y294 HydrophobicContact CB-CD1 4.48Å; D234-Y294 HydrophobicContact CB-CE1 4.05Å; K235-Y294 HydrophobicContact CB-CE2 4.41Å; K235-Y294 WeakPolarHBondContact CB-OH 3.4Å; K235-Y294 HydrophobicContact CD-CD2 4.37Å; K235-Y294 HydrophobicContact CD-CE2 3.61Å; K235-Y294 HydrophobicContact CG-CE1 4.37Å; K235-Y294 HydrophobicContact CG-CE2 3.78Å; K235-Y294 PolarHBondContact N-OH 2.91Å; P236-Y294 WeakPolarHBondContact CD-OH 3.39Å; L268-Y294 HydrophobicContact CD1-CD2 4.32Å; L268-Y294 HydrophobicContact CD1-CG 4.14Å; L268-Y294 HydrophobicContact CD2-CD1 3.95Å; L268-Y294 HydrophobicContact CD2-CD2 4.22Å; L268-Y294 HydrophobicContact CD2-CE1 4.39Å; L268-Y294 HydrophobicContact CD2-CG 3.84Å; E272-Y294 HydrophobicContact CB-CD2 4.02Å; E272-Y294 HydrophobicContact CB-CE2 3.97Å; E272-Y294 HydrophobicContact CG-CD2 4.13Å; E272-Y294 HydrophobicContact CG-CE2 3.59Å; A290-Y294 WeakPolarHBondContact O-CB 3.33Å; A290-Y294 PolarHBondContact O-N 2.93Å; T291-Y294 PolarHBondContact O-N 3.12Å; A292-Y294 VanDerWaalsContact C-N 3.35Å; A292-Y294 PolarHBondContact O-N 2.91Å; Y294-T297 PolarHBondContact O-N 3.15Å; Y294-A298 PolarHBondContact O-N 3.21Å
295T97.8Very high96.3Very high4 Ų411 Ų113%0.0256%0.057CC..Hα-helixtrans-63.1-43.6174.6-61.20000111.4D234 T291 A292 T297 A298 I299D234-T295 WeakPolarHBondContact OD2-CB 3.24Å; D234-T295 WeakPolarHBondContact OD2-CG2 3.42Å; D234-T295 PolarHBondContact OD2-OG1 3.44Å; T291-T295 PolarHBondContact O-N 2.7Å; T291-T295 PolarHBondContact O-OG1 3.42Å; A292-T295 PolarHBondContact O-N 3.26Å; T295-T297 VanDerWaalsContact C-N 3.31Å; T295-T297 PolarHBondContact O-N 3.41Å; T295-A298 WeakPolarHBondContact O-CB 3.24Å; T295-A298 PolarHBondContact O-N 2.9Å; T295-A298 VanDerWaalsContact O-N 3.15Å; T295-I299 HydrophobicContact CG2-CD1 3.87Å; T295-I299 HydrophobicContact CG2-CG1 4.44Å; T295-I299 VanDerWaalsContact O-CG1 3.28Å; T295-I299 WeakPolarHBondContact O-CG1 3.12Å; T295-I299 PolarHBondContact O-N 2.78Å
296D98.7Very high96.8Very high3 Ų311 Ų112%0.0166%0.057CC..Hα-helixtrans-55.4-45.9174.5-178.678.9000111.9M118 P119 F120 V121 A292 N293 A298 I299 R300M118-D296 VanDerWaalsContact C-OD1 3.23Å; M118-D296 VanDerWaalsContact CA-CG 3.45Å; M118-D296 WeakPolarHBondContact CA-OD1 3.29Å; M118-D296 HydrophobicContact CB-CB 4.13Å; M118-D296 HydrophobicContact CE-CB 4.2Å; M118-D296 HydrophobicContact CG-CB 4.26Å; P119-D296 WeakPolarHBondContact CD-OD2 3.34Å; F120-D296 WeakPolarHBondContact CB-OD1 3.3Å; F120-D296 WeakPolarHBondContact CB-OD2 3.43Å; F120-D296 PolarHBondContact N-OD1 2.79Å; F120-D296 PolarHBondContact N-OD2 3Å; V121-D296 WeakPolarHBondContact CG2-OD1 3.32Å; V121-D296 PolarHBondContact N-OD1 3.02Å; A292-D296 PolarHBondContact O-N 2.68Å; N293-D296 PolarHBondContact O-N 2.93Å; D296-A298 PolarHBondContact O-N 3.44Å; D296-I299 PolarHBondContact O-N 3.34Å; D296-R300 PolarHBondContact O-N 2.79Å
297T98.3Very high97.4Very high18 Ų1814.1 Ų14.111%0.117%0.069CC..Hα-helixtrans-63.9-41.9177-56.70000111.7N293 Y294 T295 I299 R300 E301 Y531N293-T297 PolarHBondContact O-N 3.25Å; N293-T297 PolarHBondContact O-OG1 3.46Å; Y294-T297 PolarHBondContact O-N 3.15Å; T295-T297 VanDerWaalsContact C-N 3.31Å; T295-T297 PolarHBondContact O-N 3.41Å; T297-I299 VanDerWaalsContact C-N 3.3Å; T297-I299 PolarHBondContact O-N 3.35Å; T297-R300 WeakPolarHBondContact O-CB 3.23Å; T297-R300 PolarHBondContact O-N 3.3Å; T297-E301 WeakPolarHBondContact O-CG 3.45Å; T297-E301 PolarHBondContact O-N 2.87Å; T297-Y531 HydrophobicContact CG2-CD2 4.25Å; T297-Y531 HydrophobicContact CG2-CE2 3.91Å
298A98.5Very high97.7Very high0 Ų016.8 Ų16.80%09%0.09CC..Hα-helixtrans-63-37.6177.300000112.2D234 K235 F238 Y294 T295 D296 E301 F302D234-A298 HydrophobicContact CB-CB 3.78Å; K235-A298 HydrophobicContact CB-CB 4.35Å; K235-A298 HydrophobicContact CG-CB 3.66Å; F238-A298 HydrophobicContact CD2-CB 3.9Å; F238-A298 HydrophobicContact CE2-CB 4.33Å; Y294-A298 PolarHBondContact O-N 3.21Å; T295-A298 WeakPolarHBondContact O-CB 3.24Å; T295-A298 PolarHBondContact O-N 2.9Å; T295-A298 VanDerWaalsContact O-N 3.15Å; D296-A298 PolarHBondContact O-N 3.44Å; A298-E301 PolarHBondContact O-N 3.22Å; A298-F302 PolarHBondContact O-N 2.69Å
299I98.8Very high97.9Very high0 Ų017.6 Ų17.60%010%0.096CC..Hα-helixtrans-68.3-41.5175.2-65.7167.2000110.4V93 L95 F120 V121 F238 T295 D296 T297 E301 F302 F303 L319V93-I299 HydrophobicContact CG1-CD1 3.79Å; V93-I299 HydrophobicContact CG1-CG1 3.83Å; V93-I299 HydrophobicContact CG1-CG2 4.37Å; L95-I299 HydrophobicContact CD2-CD1 3.29Å; F120-I299 HydrophobicContact CD1-CB 4.5Å; F120-I299 HydrophobicContact CD1-CG2 3.97Å; F120-I299 HydrophobicContact CE1-CG2 3.9Å; V121-I299 HydrophobicContact CG2-CD1 4.43Å; F238-I299 HydrophobicContact CE2-CG1 4.1Å; F238-I299 HydrophobicContact CZ-CG1 4.23Å; T295-I299 HydrophobicContact CG2-CD1 3.87Å; T295-I299 HydrophobicContact CG2-CG1 4.44Å; T295-I299 VanDerWaalsContact O-CG1 3.28Å; T295-I299 WeakPolarHBondContact O-CG1 3.12Å; T295-I299 PolarHBondContact O-N 2.78Å; D296-I299 PolarHBondContact O-N 3.34Å; T297-I299 VanDerWaalsContact C-N 3.3Å; T297-I299 PolarHBondContact O-N 3.35Å; I299-E301 PolarHBondContact O-N 2.94Å; I299-F302 WeakPolarHBondContact O-CB 3.38Å; I299-F302 PolarHBondContact O-N 3.5Å; I299-F303 HydrophobicContact CG2-CD2 3.84Å; I299-F303 HydrophobicContact CG2-CE2 3.86Å; I299-F303 WeakPolarHBondContact O-CD2 3.34Å; I299-F303 PolarHBondContact O-N 2.97Å; I299-L319 HydrophobicContact CG2-CD2 4.14Å
300R98.8Very high98.1Very high65 Ų6520.2 Ų20.225%0.24512%0.123CC..Hα-helixtrans-56.9-48.8173.4-174.1-176.164.870.511.6111.6F120 D296 T297 F302 F303 D304 Y531F120-R300 HydrophobicContact CB-CB 3.88Å; F120-R300 HydrophobicContact CB-CG 4.3Å; F120-R300 HydrophobicContact CD1-CB 3.85Å; F120-R300 HydrophobicContact CD1-CG 4.48Å; F120-R300 HydrophobicContact CD2-CB 3.85Å; F120-R300 HydrophobicContact CD2-CG 3.58Å; F120-R300 HydrophobicContact CE1-CB 4.4Å; F120-R300 HydrophobicContact CE2-CB 4.39Å; F120-R300 HydrophobicContact CE2-CG 4.01Å; F120-R300 HydrophobicContact CG-CB 3.54Å; F120-R300 HydrophobicContact CG-CG 3.84Å; D296-R300 PolarHBondContact O-N 2.79Å; T297-R300 WeakPolarHBondContact O-CB 3.23Å; T297-R300 PolarHBondContact O-N 3.3Å; R300-F302 VanDerWaalsContact C-N 3.29Å; R300-F302 PolarHBondContact O-N 2.92Å; R300-F303 WeakPolarHBondContact O-CB 3.44Å; R300-F303 PolarHBondContact O-N 3.24Å; R300-F303 VanDerWaalsContact O-N 3.11Å; R300-D304 IonicContact CZ-OD2 3.85Å; R300-D304 IonicContact NH1-OD2 3.87Å; R300-D304 PolarHBondContact NH1-OD2 2.85Å; R300-D304 PolarHBondContact O-N 2.97Å; R300-Y531 PolarHBondContact NH2-OH 3.25Å
301E98.8Very high98.2Very high0 Ų019.7 Ų19.70%012%0.119CC..Hα-helixtrans-60.8-38.4177.8-69.4177.3-176.800111.7T297 A298 I299 D304 Y305 Y523 T525 K526 Y531T297-E301 WeakPolarHBondContact O-CG 3.45Å; T297-E301 PolarHBondContact O-N 2.87Å; A298-E301 PolarHBondContact O-N 3.22Å; I299-E301 PolarHBondContact O-N 2.94Å; E301-D304 PolarHBondContact O-N 3.35Å; E301-Y305 PolarHBondContact O-N 3.04Å; E301-Y523 HydrophobicContact CB-CE1 4.06Å; E301-Y523 WeakPolarHBondContact CB-OH 3.32Å; E301-T525 PolarHBondContact OE1-OG1 3.47Å; E301-T525 WeakPolarHBondContact OE2-CA 3.31Å; E301-T525 WeakPolarHBondContact OE2-CB 3.48Å; E301-T525 PolarHBondContact OE2-OG1 2.87Å; E301-K526 PolarHBondContact OE1-N 3.35Å; E301-Y531 WeakPolarHBondContact OE1-CE2 3.41Å; E301-Y531 PolarHBondContact OE1-OH 3.4Å
302F98.9Very high98.4Very high0 Ų021.2 Ų21.20%013%0.125CC..Hα-helixtrans-65.2-40.1172.8-178.8-121.1000112.9I91 V93 F238 V242 L245 F256 A298 I299 R300 Y305 I306 Y523I91-F302 HydrophobicContact CG2-CE1 3.88Å; I91-F302 HydrophobicContact CG2-CZ 4.23Å; V93-F302 HydrophobicContact CG2-CE1 4.33Å; F238-F302 HydrophobicContact CB-CB 4.11Å; F238-F302 HydrophobicContact CB-CD2 4.45Å; F238-F302 HydrophobicContact CB-CG 4.49Å; F238-F302 HydrophobicContact CD1-CB 3.79Å; F238-F302 AromaticContact CD1-CD1 3.88Å; F238-F302 HydrophobicContact CD1-CD1 3.88Å; F238-F302 AromaticContact CD1-CD2 3.81Å; F238-F302 HydrophobicContact CD1-CD2 3.81Å; F238-F302 HydrophobicContact CD1-CE1 4.41Å; F238-F302 HydrophobicContact CD1-CE2 4.37Å; F238-F302 AromaticContact CD1-CG 3.54Å; F238-F302 HydrophobicContact CD1-CG 3.54Å; F238-F302 HydrophobicContact CE1-CB 4.38Å; F238-F302 AromaticContact CE1-CD1 3.89Å; F238-F302 HydrophobicContact CE1-CD1 3.89Å; F238-F302 HydrophobicContact CE1-CE1 4.3Å; F238-F302 HydrophobicContact CE1-CG 4.04Å; F238-F302 HydrophobicContact CG-CB 3.96Å; F238-F302 HydrophobicContact CG-CG 4.21Å; V242-F302 HydrophobicContact CG1-CD2 4.45Å; L245-F302 HydrophobicContact CD2-CE2 3.87Å; L245-F302 HydrophobicContact CD2-CZ 3.96Å; F256-F302 HydrophobicContact CD2-CE1 4.44Å; F256-F302 HydrophobicContact CD2-CZ 4.23Å; F256-F302 HydrophobicContact CE1-CE2 4.14Å; F256-F302 HydrophobicContact CE1-CZ 4.05Å; F256-F302 HydrophobicContact CE2-CE1 4.4Å; F256-F302 AromaticContact CE2-CZ 3.78Å; F256-F302 HydrophobicContact CE2-CZ 3.78Å; F256-F302 HydrophobicContact CZ-CE2 4.07Å; F256-F302 AromaticContact CZ-CZ 3.7Å; F256-F302 HydrophobicContact CZ-CZ 3.7Å; A298-F302 PolarHBondContact O-N 2.69Å; I299-F302 WeakPolarHBondContact O-CB 3.38Å; I299-F302 PolarHBondContact O-N 3.5Å; R300-F302 VanDerWaalsContact C-N 3.29Å; R300-F302 PolarHBondContact O-N 2.92Å; F302-Y305 HydrophobicContact CD2-CD1 4.45Å; F302-Y305 HydrophobicContact CE2-CD1 4.41Å; F302-Y305 PolarHBondContact O-N 3.12Å; F302-I306 HydrophobicContact CD2-CG2 4.3Å; F302-I306 HydrophobicContact CE1-CG2 4.26Å; F302-I306 HydrophobicContact CE2-CG2 3.81Å; F302-I306 HydrophobicContact CZ-CG2 3.79Å; F302-I306 PolarHBondContact O-N 3.29Å; F302-Y523 HydrophobicContact CB-CE2 4.43Å
303F98.8Very high98.4Very high0 Ų027 Ų270%015%0.152CC..Hα-helixtrans-64.1-39.9174.2-94.5-111.5000112.4F120 L124 I299 R300 Y305 I306 K307 Y312 I317 L319F120-F303 HydrophobicContact CE1-CB 3.8Å; F120-F303 HydrophobicContact CE1-CD1 4.01Å; F120-F303 AromaticContact CE1-CD2 3.59Å; F120-F303 HydrophobicContact CE1-CD2 3.59Å; F120-F303 HydrophobicContact CE1-CE1 4.44Å; F120-F303 HydrophobicContact CE1-CE2 4.06Å; F120-F303 AromaticContact CE1-CG 3.54Å; F120-F303 HydrophobicContact CE1-CG 3.54Å; F120-F303 HydrophobicContact CE1-CZ 4.45Å; F120-F303 HydrophobicContact CE2-CB 4.32Å; F120-F303 HydrophobicContact CZ-CB 3.37Å; F120-F303 AromaticContact CZ-CD1 3.54Å; F120-F303 HydrophobicContact CZ-CD1 3.54Å; F120-F303 AromaticContact CZ-CD2 3.93Å; F120-F303 HydrophobicContact CZ-CD2 3.93Å; F120-F303 HydrophobicContact CZ-CE1 4.22Å; F120-F303 AromaticContact CZ-CG 3.34Å; F120-F303 HydrophobicContact CZ-CG 3.34Å; L124-F303 HydrophobicContact CD1-CE1 3.74Å; L124-F303 HydrophobicContact CD1-CE2 4.01Å; L124-F303 HydrophobicContact CD1-CZ 3.44Å; L124-F303 VanDerWaalsContact CD1-CZ 3.44Å; L124-F303 HydrophobicContact CD2-CD1 4.36Å; L124-F303 HydrophobicContact CD2-CE1 3.76Å; L124-F303 HydrophobicContact CD2-CZ 4.31Å; L124-F303 HydrophobicContact CG-CE1 4.42Å; I299-F303 HydrophobicContact CG2-CD2 3.84Å; I299-F303 HydrophobicContact CG2-CE2 3.86Å; I299-F303 WeakPolarHBondContact O-CD2 3.34Å; I299-F303 PolarHBondContact O-N 2.97Å; R300-F303 WeakPolarHBondContact O-CB 3.44Å; R300-F303 PolarHBondContact O-N 3.24Å; R300-F303 VanDerWaalsContact O-N 3.11Å; F303-Y305 VanDerWaalsContact C-N 3.31Å; F303-Y305 PolarHBondContact O-N 3.09Å; F303-I306 HydrophobicContact CD1-CD1 4.28Å; F303-I306 HydrophobicContact CD2-CD1 4.4Å; F303-I306 HydrophobicContact CG-CD1 4.21Å; F303-I306 VanDerWaalsContact O-CG1 3.32Å; F303-I306 WeakPolarHBondContact O-CG1 3.11Å; F303-I306 PolarHBondContact O-N 3.44Å; F303-K307 WeakPolarHBondContact O-CB 3.43Å; F303-K307 VanDerWaalsContact O-CG 3.28Å; F303-K307 WeakPolarHBondContact O-CG 3.37Å; F303-K307 PolarHBondContact O-N 3.38Å; F303-Y312 HydrophobicContact CD1-CD2 4.25Å; F303-Y312 AromaticContact CD1-CE2 3.76Å; F303-Y312 HydrophobicContact CD1-CE2 3.76Å; F303-Y312 AromaticContact CE1-CE2 3.89Å; F303-Y312 HydrophobicContact CE1-CE2 3.89Å; F303-I317 HydrophobicContact CE2-CG2 3.88Å; F303-I317 HydrophobicContact CZ-CB 4.02Å; F303-I317 HydrophobicContact CZ-CG1 4.33Å; F303-I317 HydrophobicContact CZ-CG2 3.55Å; F303-L319 HydrophobicContact CZ-CD1 4.3Å
304D98.8Very high98.4Very high70 Ų7029.4 Ų29.437%0.37417%0.165SC..Hα-helixtrans-60.5-42.6174.4-68.7-21.3000110.5R300 E301 A308R300-D304 IonicContact CZ-OD2 3.85Å; R300-D304 IonicContact NH1-OD2 3.87Å; R300-D304 PolarHBondContact NH1-OD2 2.85Å; R300-D304 PolarHBondContact O-N 2.97Å; E301-D304 PolarHBondContact O-N 3.35Å; D304-A308 WeakPolarHBondContact O-CB 3.48Å; D304-A308 PolarHBondContact O-N 3Å
305Y98.8Very high98.5Very high1 Ų129 Ų290%0.00416%0.163CC..Hα-helixtrans-63.1-52.7173.9166.4-93.6000113V242 L245 E301 F302 F303 K307 A308 S309 T519 L522 Y523V242-Y305 HydrophobicContact CB-CD1 4.05Å; V242-Y305 HydrophobicContact CB-CD2 4.16Å; V242-Y305 HydrophobicContact CB-CE1 3.65Å; V242-Y305 HydrophobicContact CB-CE2 3.75Å; V242-Y305 HydrophobicContact CB-CG 4.31Å; V242-Y305 VanDerWaalsContact CB-CZ 3.48Å; V242-Y305 HydrophobicContact CG1-CD1 3.5Å; V242-Y305 HydrophobicContact CG1-CD2 4.05Å; V242-Y305 HydrophobicContact CG1-CE1 3.61Å; V242-Y305 HydrophobicContact CG1-CE2 4.12Å; V242-Y305 HydrophobicContact CG1-CG 3.75Å; V242-Y305 HydrophobicContact CG2-CD2 4.33Å; V242-Y305 HydrophobicContact CG2-CE2 3.97Å; L245-Y305 HydrophobicContact CD2-CE1 4.19Å; E301-Y305 PolarHBondContact O-N 3.04Å; F302-Y305 HydrophobicContact CD2-CD1 4.45Å; F302-Y305 HydrophobicContact CE2-CD1 4.41Å; F302-Y305 PolarHBondContact O-N 3.12Å; F303-Y305 VanDerWaalsContact C-N 3.31Å; F303-Y305 PolarHBondContact O-N 3.09Å; Y305-K307 PolarHBondContact O-N 2.86Å; Y305-A308 CarbonylContact O-C 3.57Å; Y305-A308 PolarHBondContact O-N 3.32Å; Y305-S309 WeakPolarHBondContact O-CB 3.46Å; Y305-S309 PolarHBondContact O-N 2.99Å; Y305-S309 PolarHBondContact O-OG 2.94Å; Y305-T519 WeakPolarHBondContact CE2-O 3.35Å; Y305-T519 PolarHBondContact OH-OG1 2.95Å; Y305-T519 VanDerWaalsContact OH-OG1 3.09Å; Y305-L522 HydrophobicContact CD2-CB 4.19Å; Y305-L522 HydrophobicContact CE2-CB 4.49Å; Y305-Y523 HydrophobicContact CD2-CD2 4.31Å; Y305-Y523 AromaticContact CG-CD2 3.94Å; Y305-Y523 HydrophobicContact CG-CD2 3.94Å
306I98.7Very high98.6Very high0 Ų028.9 Ų28.90%016%0.162CC..Hα-helixtrans-64.5-25.4-176.463.7179.9000111.8L245 F302 F303 S309 G310 L311 Y312 I317L245-I306 HydrophobicContact CD2-CG2 4.4Å; F302-I306 HydrophobicContact CD2-CG2 4.3Å; F302-I306 HydrophobicContact CE1-CG2 4.26Å; F302-I306 HydrophobicContact CE2-CG2 3.81Å; F302-I306 HydrophobicContact CZ-CG2 3.79Å; F302-I306 PolarHBondContact O-N 3.29Å; F303-I306 HydrophobicContact CD1-CD1 4.28Å; F303-I306 HydrophobicContact CD2-CD1 4.4Å; F303-I306 HydrophobicContact CG-CD1 4.21Å; F303-I306 VanDerWaalsContact O-CG1 3.32Å; F303-I306 WeakPolarHBondContact O-CG1 3.11Å; F303-I306 PolarHBondContact O-N 3.44Å; I306-S309 PolarHBondContact O-OG 2.86Å; I306-G310 PolarHBondContact O-N 3.04Å; I306-L311 HydrophobicContact CB-CB 4.06Å; I306-L311 HydrophobicContact CG2-CD1 4.49Å; I306-L311 WeakPolarHBondContact O-CA 3.35Å; I306-L311 PolarHBondContact O-N 3.03Å; I306-Y312 HydrophobicContact CD1-CD2 4.03Å; I306-Y312 HydrophobicContact CG1-CD2 4.18Å; I306-Y312 PolarHBondContact O-N 2.73Å; I306-I317 HydrophobicContact CD1-CD1 4.38Å; I306-I317 HydrophobicContact CD1-CG1 4.19Å
307K98.7Very high98.6Very high96 Ų9628.7 Ų28.742%0.41716%0.161SC..Hα-helixtrans-68.5-52.2168.4-73.6171.2-177.11740110.9F303 Y305 S309 G310 Y312F303-K307 WeakPolarHBondContact O-CB 3.43Å; F303-K307 VanDerWaalsContact O-CG 3.28Å; F303-K307 WeakPolarHBondContact O-CG 3.37Å; F303-K307 PolarHBondContact O-N 3.38Å; Y305-K307 PolarHBondContact O-N 2.86Å; K307-S309 VanDerWaalsContact C-N 3.29Å; K307-S309 PolarHBondContact O-N 3.48Å; K307-G310 PolarHBondContact O-N 3.33Å; K307-G310 VanDerWaalsContact O-N 3.12Å; K307-Y312 HydrophobicContact CG-CD1 3.96Å; K307-Y312 HydrophobicContact CG-CD2 3.83Å; K307-Y312 HydrophobicContact CG-CE1 4.49Å; K307-Y312 HydrophobicContact CG-CE2 4.37Å; K307-Y312 HydrophobicContact CG-CG 3.58Å
308A98.5Very high98.6Very high61 Ų6127.9 Ų27.950%0.50416%0.156SC..Hα-helixtrans-62.2-34.7-179.400000113.1D304 Y305 G310 L522D304-A308 WeakPolarHBondContact O-CB 3.48Å; D304-A308 PolarHBondContact O-N 3Å; Y305-A308 CarbonylContact O-C 3.57Å; Y305-A308 PolarHBondContact O-N 3.32Å; A308-G310 VanDerWaalsContact C-N 3.27Å; A308-G310 PolarHBondContact O-N 2.92Å; A308-L522 HydrophobicContact CB-CB 4.16Å; A308-L522 HydrophobicContact CB-CD1 4.11Å
309S98.4Very high98.6Very high17 Ų1727.9 Ų27.912%0.11916%0.156CC..THydrogen-bonded Turntrans-81.4-3.2178.783.30000113.5Y305 I306 K307 L311Y305-S309 WeakPolarHBondContact O-CB 3.46Å; Y305-S309 PolarHBondContact O-N 2.99Å; Y305-S309 PolarHBondContact O-OG 2.94Å; I306-S309 PolarHBondContact O-OG 2.86Å; K307-S309 VanDerWaalsContact C-N 3.29Å; K307-S309 PolarHBondContact O-N 3.48Å; S309-L311 VanDerWaalsContact C-N 3.31Å; S309-L311 PolarHBondContact O-N 3.24Å; S309-L311 WeakPolarHBondContact OG-CG 3.41Å
310G98Very high98.6Very high55 Ų5528 Ų2857%0.56716%0.157SC*.THydrogen-bonded Turntrans74.611.6-178.200000115.5I306 K307 A308I306-G310 PolarHBondContact O-N 3.04Å; K307-G310 PolarHBondContact O-N 3.33Å; K307-G310 VanDerWaalsContact O-N 3.12Å; A308-G310 VanDerWaalsContact C-N 3.27Å; A308-G310 PolarHBondContact O-N 2.92Å
311L98.6Very high98.6Very high0 Ų025 Ų250%015%0.145CC..  trans-78.4-30.2177.4-76.3173.8000113L245 F252 I306 S309 E313 N314 S315 V510L245-L311 HydrophobicContact CD2-CD1 3.87Å; L245-L311 HydrophobicContact CG-CD1 4.05Å; F252-L311 HydrophobicContact CE1-CD2 3.8Å; F252-L311 HydrophobicContact CZ-CD1 4.32Å; F252-L311 HydrophobicContact CZ-CD2 3.99Å; I306-L311 HydrophobicContact CB-CB 4.06Å; I306-L311 HydrophobicContact CG2-CD1 4.49Å; I306-L311 WeakPolarHBondContact O-CA 3.35Å; I306-L311 PolarHBondContact O-N 3.03Å; S309-L311 VanDerWaalsContact C-N 3.31Å; S309-L311 PolarHBondContact O-N 3.24Å; S309-L311 WeakPolarHBondContact OG-CG 3.41Å; L311-E313 PolarHBondContact O-N 2.84Å; L311-N314 CarbonylContact O-C 3.58Å; L311-N314 PolarHBondContact O-N 3.32Å; L311-S315 WeakPolarHBondContact O-CB 3.23Å; L311-S315 PolarHBondContact O-N 3.37Å; L311-S315 PolarHBondContact O-OG 2.89Å; L311-V510 HydrophobicContact CD1-CG2 3.94Å; L311-V510 HydrophobicContact CD2-CG2 3.56Å; L311-V510 HydrophobicContact CG-CG2 3.65Å
312Y98.7Very high98.6Very high33 Ų3325 Ų2513%0.12915%0.145CC..G310 helixtrans-54.6-58.2-169.6-178-103.8000113.4F303 I306 K307 N314 S315 I317 H359 P361F303-Y312 HydrophobicContact CD1-CD2 4.25Å; F303-Y312 AromaticContact CD1-CE2 3.76Å; F303-Y312 HydrophobicContact CD1-CE2 3.76Å; F303-Y312 AromaticContact CE1-CE2 3.89Å; F303-Y312 HydrophobicContact CE1-CE2 3.89Å; I306-Y312 HydrophobicContact CD1-CD2 4.03Å; I306-Y312 HydrophobicContact CG1-CD2 4.18Å; I306-Y312 PolarHBondContact O-N 2.73Å; K307-Y312 HydrophobicContact CG-CD1 3.96Å; K307-Y312 HydrophobicContact CG-CD2 3.83Å; K307-Y312 HydrophobicContact CG-CE1 4.49Å; K307-Y312 HydrophobicContact CG-CE2 4.37Å; K307-Y312 HydrophobicContact CG-CG 3.58Å; Y312-N314 PolarHBondContact O-N 3.14Å; Y312-S315 PolarHBondContact O-N 2.95Å; Y312-I317 HydrophobicContact CD2-CD1 4.26Å; Y312-I317 HydrophobicContact CE2-CD1 4.44Å; Y312-H359 AromaticContact CE2-NE2 3.77Å; Y312-H359 AromaticContact CZ-NE2 3.45Å; Y312-H359 PolarHBondContact OH-NE2 3.48Å; Y312-P361 HydrophobicContact CD1-CB 3.93Å; Y312-P361 HydrophobicContact CD1-CG 3.79Å; Y312-P361 HydrophobicContact CD2-CG 4.1Å; Y312-P361 HydrophobicContact CE1-CB 3.64Å; Y312-P361 HydrophobicContact CE1-CG 3.53Å; Y312-P361 HydrophobicContact CE2-CG 3.87Å; Y312-P361 HydrophobicContact CG-CG 4.08Å; Y312-P361 WeakPolarHBondContact O-CG 3.41Å
313E97.6Very high98.5Very high122 Ų12225.4 Ų25.457%0.5715%0.147SC*.G310 helixtrans-60-26.6-175.7-61.5-58.6153.800113.5K88 L311K88-E313 PolarHBondContact NZ-O 2.96Å; L311-E313 PolarHBondContact O-N 2.84Å
314N97.7Very high98.3Very high64 Ų6428.5 Ų28.534%0.34216%0.159SC..G310 helixtrans-101.822.8179.7-161.344.5000113.7K88 N89 Q250 L311 Y312K88-N314 WeakPolarHBondContact CA-O 3.38Å; N89-N314 PolarHBondContact N-O 2.92Å; N89-N314 PolarHBondContact ND2-O 3.07Å; N89-N314 VanDerWaalsContact ND2-O 3.16Å; Q250-N314 PolarHBondContact OE1-ND2 3.27Å; L311-N314 CarbonylContact O-C 3.58Å; L311-N314 PolarHBondContact O-N 3.32Å; Y312-N314 PolarHBondContact O-N 3.14Å
315S98.9Very high98Very high0 Ų025.7 Ų25.70%015%0.147CC..EExtended strand (participates in β ladder)trans-131.4139.3-179.2-55.60000111.6N89 L311 Y312 P361N89-S315 PolarHBondContact ND2-OG 2.91Å; N89-S315 CarbonylContact O-C 3.55Å; N89-S315 WeakPolarHBondContact O-CA 3.39Å; L311-S315 WeakPolarHBondContact O-CB 3.23Å; L311-S315 PolarHBondContact O-N 3.37Å; L311-S315 PolarHBondContact O-OG 2.89Å; Y312-S315 PolarHBondContact O-N 2.95Å; S315-P361 WeakPolarHBondContact O-CD 3.22Å
316M98.8Very high97.7Very high1 Ų125.7 Ų25.71%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-88.8122.7157.6177.9173.459.500107.7A85 N89 I90 I91 V318 I358 L360 L382 L385 V386A85-M316 HydrophobicContact CB-SD 4.11Å; N89-M316 PolarHBondContact O-N 2.79Å; I90-M316 WeakPolarHBondContact CA-O 3.4Å; I90-M316 HydrophobicContact CD1-CE 4.06Å; I90-M316 HydrophobicContact CG1-CE 3.77Å; I90-M316 HydrophobicContact CG2-CE 4.31Å; I91-M316 PolarHBondContact N-O 2.95Å; M316-V318 HydrophobicContact CG-CG2 4.16Å; M316-I358 HydrophobicContact CG-CG2 3.88Å; M316-I358 HydrophobicContact SD-CG2 3.67Å; M316-L360 HydrophobicContact CB-CD1 4.08Å; M316-L360 HydrophobicContact CG-CD1 4.47Å; M316-L382 HydrophobicContact CE-CB 4.35Å; M316-L382 HydrophobicContact CE-CD1 4.44Å; M316-L382 HydrophobicContact CE-CD2 3.77Å; M316-L382 HydrophobicContact CE-CG 4.4Å; M316-L382 HydrophobicContact SD-CD2 4.06Å; M316-L385 HydrophobicContact SD-CB 4.25Å; M316-L385 HydrophobicContact SD-CD1 3.79Å; M316-V386 HydrophobicContact CE-CG1 4.31Å
317I98.9Very high97.2Very high0 Ų026.8 Ų26.80%016%0.155CC..EExtended strand (participates in β ladder)trans-108.2122.7179.8-53.894.6000109I91 V93 F303 I306 Y312 L319 H359 P361I91-I317 HydrophobicContact CB-CG1 4.23Å; I91-I317 HydrophobicContact CB-CG2 4.37Å; I91-I317 HydrophobicContact CD1-CG1 4.43Å; I91-I317 HydrophobicContact CG2-CG2 4.36Å; I91-I317 CarbonylContact O-C 3.54Å; I91-I317 WeakPolarHBondContact O-CA 3.4Å; V93-I317 HydrophobicContact CG2-CG2 4.01Å; F303-I317 HydrophobicContact CE2-CG2 3.88Å; F303-I317 HydrophobicContact CZ-CB 4.02Å; F303-I317 HydrophobicContact CZ-CG1 4.33Å; F303-I317 HydrophobicContact CZ-CG2 3.55Å; I306-I317 HydrophobicContact CD1-CD1 4.38Å; I306-I317 HydrophobicContact CD1-CG1 4.19Å; Y312-I317 HydrophobicContact CD2-CD1 4.26Å; Y312-I317 HydrophobicContact CE2-CD1 4.44Å; I317-L319 HydrophobicContact CG2-CD1 4.14Å; I317-H359 HydrophobicContact CB-CB 4.43Å; I317-H359 PolarHBondContact N-O 2.88Å; I317-H359 WeakPolarHBondContact O-CB 3.47Å; I317-H359 PolarHBondContact O-N 3.44Å; I317-P361 HydrophobicContact CD1-CG 4.25Å
318V98.9Very high96.5Very high0 Ų026.1 Ų26.10%016%0.156CC..EExtended strand (participates in β ladder)trans-114.2111.7-176-172.20000109.1I91 Y92 V93 M316 L356 I357 I358 L382I91-V318 PolarHBondContact O-N 2.78Å; Y92-V318 CarbonylContact C-O 3.49Å; Y92-V318 WeakPolarHBondContact CA-O 3.33Å; Y92-V318 HydrophobicContact CD1-CB 3.61Å; Y92-V318 HydrophobicContact CD1-CG1 3.73Å; Y92-V318 HydrophobicContact CE1-CB 3.62Å; Y92-V318 HydrophobicContact CE1-CG1 3.31Å; Y92-V318 HydrophobicContact CE1-CG2 4.39Å; Y92-V318 HydrophobicContact CG-CB 4.39Å; V93-V318 PolarHBondContact N-O 2.67Å; M316-V318 HydrophobicContact CG-CG2 4.16Å; V318-L356 HydrophobicContact CG1-CD1 4.02Å; V318-I357 CarbonylContact C-O 3.19Å; V318-I357 WeakPolarHBondContact CA-O 3.23Å; V318-I358 HydrophobicContact CG1-CG1 4.21Å; V318-I358 HydrophobicContact CG2-CG2 4.41Å; V318-L382 HydrophobicContact CG2-CD1 4.13Å; V318-L382 HydrophobicContact CG2-CD2 3.83Å
319L98.9Very high95.9Very high0 Ų028.1 Ų28.10%017%0.166CC..EExtended strand (participates in β ladder)trans-97.9132.4173.6-5788.2000108.8V93 L95 V121 L124 I299 F303 I317 L356 I357V93-L319 HydrophobicContact CB-CG 4.16Å; V93-L319 WeakPolarHBondContact O-CA 3.13Å; L95-L319 HydrophobicContact CD1-CB 4.23Å; V121-L319 HydrophobicContact CG2-CD2 4.01Å; L124-L319 HydrophobicContact CD1-CD1 3.86Å; L124-L319 HydrophobicContact CD1-CD2 4Å; I299-L319 HydrophobicContact CG2-CD2 4.14Å; F303-L319 HydrophobicContact CZ-CD1 4.3Å; I317-L319 HydrophobicContact CG2-CD1 4.14Å; L319-L356 WeakPolarHBondContact O-CA 3.15Å; L319-I357 HydrophobicContact CB-CB 4.26Å; L319-I357 HydrophobicContact CD1-CB 4.2Å; L319-I357 HydrophobicContact CD1-CG2 4.32Å; L319-I357 PolarHBondContact N-O 3.23Å; L319-I357 PolarHBondContact O-N 2.98Å
320Y98.8Very high95.4Very high4 Ų430.1 Ų30.12%0.01617%0.171CC..EExtended strand (participates in β ladder)trans-144.6139.2179.375.1-78.3000112.3Y92 V93 H94 L95 L152 D322 P355Y92-Y320 AromaticContact CD1-CD1 3.63Å; Y92-Y320 HydrophobicContact CD1-CD1 3.63Å; Y92-Y320 AromaticContact CD1-CE1 3.72Å; Y92-Y320 HydrophobicContact CD1-CE1 3.72Å; Y92-Y320 HydrophobicContact CE1-CD1 4.02Å; Y92-Y320 HydrophobicContact CE1-CE1 4.3Å; Y92-Y320 HydrophobicContact CG-CE1 4.36Å; V93-Y320 PolarHBondContact O-N 2.89Å; H94-Y320 HydrophobicContact CB-CE1 3.94Å; H94-Y320 AromaticContact ND1-CE2 3.58Å; H94-Y320 AromaticContact ND1-CZ 3.37Å; H94-Y320 PolarHBondContact ND1-OH 3.31Å; H94-Y320 VanDerWaalsContact ND1-OH 3.08Å; L95-Y320 WeakPolarHBondContact CB-O 3.45Å; L95-Y320 PolarHBondContact N-O 2.93Å; L152-Y320 HydrophobicContact CD1-CD2 4.15Å; L152-Y320 HydrophobicContact CD1-CE2 4.17Å; L152-Y320 HydrophobicContact CD2-CD1 3.68Å; L152-Y320 HydrophobicContact CD2-CD2 3.51Å; L152-Y320 HydrophobicContact CD2-CE1 3.62Å; L152-Y320 HydrophobicContact CD2-CE2 3.45Å; L152-Y320 VanDerWaalsContact CD2-CE2 3.45Å; L152-Y320 HydrophobicContact CD2-CG 3.61Å; L152-Y320 VanDerWaalsContact CD2-CZ 3.49Å; L152-Y320 HydrophobicContact CG-CE2 4.47Å; Y320-D322 HydrophobicContact CE2-CB 4.25Å; Y320-P355 CarbonylContact C-O 3.55Å; Y320-P355 VanDerWaalsContact CA-O 3.23Å; Y320-P355 WeakPolarHBondContact CA-O 3.03Å
321G98.7Very high95Very high0 Ų027.9 Ų27.90%015%0.146CC..EExtended strand (participates in β ladder)trans-80.4140.6164.300000110.8L95 V354 P355 Q375L95-G321 WeakPolarHBondContact O-CA 3.31Å; G321-V354 WeakPolarHBondContact O-CG2 3.3Å; G321-P355 PolarHBondContact N-O 2.88Å; G321-Q375 PolarHBondContact O-NE2 3.39Å
322D98.4Very high94.4Very high0 Ų035 Ų350%018%0.184CC..  trans-92.1-41.5-175.773.6-35.6000113.4H94 S97 H138 T145 A148 Y320 Q375H94-D322 WeakPolarHBondContact CE1-CB 3.38Å; H94-D322 IonicContact CE1-OD2 3.66Å; H94-D322 PolarHBondContact CE1-OD2 3.39Å; H94-D322 IonicContact NE2-OD2 2.95Å; S97-D322 PolarHBondContact N-OD1 2.86Å; H138-D322 WeakPolarHBondContact CB-O 3.49Å; T145-D322 WeakPolarHBondContact CA-OD2 3.29Å; T145-D322 PolarHBondContact OG1-OD2 3.11Å; A148-D322 HydrophobicContact CB-CB 3.73Å; Y320-D322 HydrophobicContact CE2-CB 4.25Å; D322-Q375 VanDerWaalsContact C-NE2 3.34Å; D322-Q375 PolarHBondContact O-NE2 2.81Å
323H97.4Very high93.8Very high10 Ų1035.7 Ų35.75%0.04620%0.197CC..SBendtrans-164.8-179.9173.957.665.9000112.1E96 S97 H138 V140 T145E96-H323 IonicContact OE1-CE1 2.97Å; E96-H323 IonicContact OE1-NE2 3.92Å; S97-H323 CarbonylContact C-O 3.58Å; S97-H323 WeakPolarHBondContact CA-O 3.48Å; S97-H323 PolarHBondContact OG-CE1 3.38Å; H138-H323 HydrophobicContact CB-CB 4.42Å; V140-H323 HydrophobicContact CG1-CB 4.48Å; V140-H323 HydrophobicContact CG2-CB 3.57Å; T145-H323 PolarHBondContact N-CD2 2.95Å
324Y94.3Very high93.5Very high64 Ų6429.9 Ų29.925%0.25117%0.17SC..  trans-57.7139173.361-98.4000112.7H99 H138 K144H99-Y324 WeakPolarHBondContact CE1-CB 3.37Å; H99-Y324 WeakPolarHBondContact NE2-CA 3.31Å; H99-Y324 WeakPolarHBondContact NE2-CB 3.33Å; H138-Y324 AromaticContact CE1-CD1 3.8Å; H138-Y324 AromaticContact NE2-CD1 3.52Å; K144-Y324 PolarHBondContact NZ-OH 2.95Å
325G92.3Very high93.2Very high11 Ų1129.2 Ų29.211%0.11316%0.163CC..SBendtrans-91.9-37166.800000112.9S97 H99S97-G325 WeakPolarHBondContact O-CA 3.48Å; S97-G325 PolarHBondContact O-N 2.96Å; H99-G325 PolarHBondContact CD2-N 3.26Å; H99-G325 VanDerWaalsContact CD2-N 3.29Å; H99-G325 PolarHBondContact NE2-N 2.89Å
326I91.8Very high92.8Very high2 Ų236 Ų361%0.0120%0.195CC..SBendtrans-97.2116.9176.8-54.9179.8000108.4H99 F101 I285 Y288 R330 T334 L337 F338H99-I326 PolarHBondContact NE2-N 3.34Å; F101-I326 HydrophobicContact CE1-CD1 4.47Å; F101-I326 HydrophobicContact CZ-CD1 4.1Å; I285-I326 HydrophobicContact CD1-CG1 4.41Å; I285-I326 HydrophobicContact CG2-CD1 4.23Å; I285-I326 HydrophobicContact CG2-CG1 4.48Å; Y288-I326 HydrophobicContact CD1-CD1 4.05Å; Y288-I326 HydrophobicContact CD1-CG1 4.4Å; Y288-I326 HydrophobicContact CE1-CD1 4.13Å; Y288-I326 HydrophobicContact CE1-CG1 4.4Å; I326-R330 HydrophobicContact CG2-CB 4.32Å; I326-T334 HydrophobicContact CG2-CG2 3.89Å; I326-T334 WeakPolarHBondContact CG2-OG1 3.4Å; I326-L337 HydrophobicContact CD1-CD1 4.24Å; I326-F338 HydrophobicContact CB-CZ 4.39Å; I326-F338 HydrophobicContact CD1-CE2 4.25Å; I326-F338 HydrophobicContact CD1-CZ 4.4Å; I326-F338 HydrophobicContact CG2-CE2 4.42Å
327S87.9Confident92.4Very high22 Ų2236.6 Ų36.615%0.15420%0.198CC..  trans-77.9151.4-179.267.10000112.8S329 R330S327-S329 PolarHBondContact O-N 2.87Å; S327-S329 PolarHBondContact OG-OG 3.22Å; S327-R330 PolarHBondContact O-N 2.84Å; S327-R330 PolarHBondContact OG-NH1 3.17Å
328D85.6Confident92.1Very high83 Ų8338.3 Ų38.344%0.44421%0.206SC..G310 helixtrans-47.6-34.7171.6-58.7-4000113.7R330 I331D328-R330 PolarHBondContact O-N 3.4Å; D328-I331 WeakPolarHBondContact O-CB 3.44Å; D328-I331 VanDerWaalsContact O-CG1 3.27Å; D328-I331 WeakPolarHBondContact O-CG1 3.42Å; D328-I331 PolarHBondContact O-N 3.18Å
329S85.4Confident91.7Very high103 Ų10341.5 Ų41.572%0.7224%0.239SC*.G310 helixtrans-65.6-7.8178.866.50000115.5S327S327-S329 PolarHBondContact O-N 2.87Å; S327-S329 PolarHBondContact OG-OG 3.22Å
330R87.7Confident91.3Very high58 Ų5845.4 Ų45.422%0.21926%0.256CS..G310 helixtrans-113.1-1.4-179.1-72.6176.3165.468.84.5113.5Y263 D282 T284 I326 S327 D328 D332 A333 T334Y263-R330 PolarHBondContact OH-NH2 2.95Å; D282-R330 WeakPolarHBondContact OD2-CD 3.38Å; D282-R330 IonicContact OD2-CZ 3.58Å; D282-R330 IonicContact OD2-NE 2.76Å; D282-R330 PolarHBondContact OD2-NE 2.83Å; T284-R330 PolarHBondContact OG1-NE 2.77Å; T284-R330 PolarHBondContact OG1-NH2 2.74Å; I326-R330 HydrophobicContact CG2-CB 4.32Å; S327-R330 PolarHBondContact O-N 2.84Å; S327-R330 PolarHBondContact OG-NH1 3.17Å; D328-R330 PolarHBondContact O-N 3.4Å; R330-D332 VanDerWaalsContact C-N 3.26Å; R330-D332 PolarHBondContact O-N 3.15Å; R330-A333 PolarHBondContact O-N 3Å; R330-T334 HydrophobicContact CB-CG2 4.2Å; R330-T334 PolarHBondContact O-N 2.95Å; R330-T334 PolarHBondContact O-OG1 2.83Å; R330-T334 VanDerWaalsContact O-OG1 3.08Å
331I89Confident90.9Very high8 Ų852.3 Ų52.34%0.04129%0.293CS..Hα-helixtrans-59.3-36.9-170.9-70.4-56.6000112.8D328 A333 T334 K335 F338 W343D328-I331 WeakPolarHBondContact O-CB 3.44Å; D328-I331 VanDerWaalsContact O-CG1 3.27Å; D328-I331 WeakPolarHBondContact O-CG1 3.42Å; D328-I331 PolarHBondContact O-N 3.18Å; I331-A333 PolarHBondContact O-N 3.35Å; I331-A333 VanDerWaalsContact O-N 3.16Å; I331-T334 WeakPolarHBondContact CA-OG1 3.5Å; I331-T334 CarbonylContact O-C 3.27Å; I331-T334 PolarHBondContact O-N 3.12Å; I331-K335 HydrophobicContact CG2-CB 4.31Å; I331-K335 WeakPolarHBondContact O-CB 3.29Å; I331-K335 PolarHBondContact O-N 3.05Å; I331-F338 HydrophobicContact CD1-CE2 4.07Å; I331-W343 HydrophobicContact CB-CD2 4.47Å; I331-W343 HydrophobicContact CD1-CH2 3.78Å; I331-W343 HydrophobicContact CD1-CZ2 3.61Å; I331-W343 HydrophobicContact CD1-CZ3 4.34Å; I331-W343 HydrophobicContact CG1-CZ2 4.08Å; I331-W343 HydrophobicContact CG2-CB 3.68Å; I331-W343 VanDerWaalsContact CG2-CD1 3.47Å; I331-W343 HydrophobicContact CG2-CD2 3.2Å; I331-W343 VanDerWaalsContact CG2-CE2 3.47Å; I331-W343 HydrophobicContact CG2-CE3 3.77Å; I331-W343 HydrophobicContact CG2-CG 3.16Å; I331-W343 HydrophobicContact CG2-CZ2 4.2Å; I331-W343 HydrophobicContact CG2-CZ3 4.45Å
332D86.3Confident90.6Very high150 Ų15057.7 Ų57.780%0.80232%0.322SS*.Hα-helixtrans-56-35.1176.1-70.5-17.1000112.5R330R330-D332 VanDerWaalsContact C-N 3.26Å; R330-D332 PolarHBondContact O-N 3.15Å
333A86.8Confident90.4Very high48 Ų4859.6 Ų59.640%0.39733%0.329SS..Hα-helixtrans-89.3-18177.200000113.4R330 I331R330-A333 PolarHBondContact O-N 3Å; I331-A333 PolarHBondContact O-N 3.35Å; I331-A333 VanDerWaalsContact O-N 3.16Å
334T90.7Very high90.3Very high0 Ų062.1 Ų62.10%035%0.345CS..Hα-helixtrans-118.4-4.8-170.562.70000114.9I280 I285 I326 R330 I331 E336 L337 F338I280-T334 HydrophobicContact CD1-CG2 3.5Å; I280-T334 VanDerWaalsContact CD1-CG2 3.5Å; I285-T334 HydrophobicContact CG1-CG2 4.47Å; I285-T334 HydrophobicContact CG2-CG2 4.12Å; I326-T334 HydrophobicContact CG2-CG2 3.89Å; I326-T334 WeakPolarHBondContact CG2-OG1 3.4Å; R330-T334 HydrophobicContact CB-CG2 4.2Å; R330-T334 PolarHBondContact O-N 2.95Å; R330-T334 PolarHBondContact O-OG1 2.83Å; R330-T334 VanDerWaalsContact O-OG1 3.08Å; I331-T334 WeakPolarHBondContact CA-OG1 3.5Å; I331-T334 CarbonylContact O-C 3.27Å; I331-T334 PolarHBondContact O-N 3.12Å; T334-E336 PolarHBondContact O-N 2.68Å; T334-L337 HydrophobicContact CG2-CD1 4.17Å; T334-L337 WeakPolarHBondContact O-CA 3.45Å; T334-L337 WeakPolarHBondContact O-CB 3.48Å; T334-L337 WeakPolarHBondContact O-CG 3.42Å; T334-L337 PolarHBondContact O-N 3.12Å; T334-F338 WeakPolarHBondContact O-CD2 3.18Å
335K92.5Very high90.2Very high49 Ų4961.6 Ų61.621%0.21335%0.349CS..G310 helixtrans-56.6-35.1-174.657.2175.6177.3173.90113.5I331 L337 F338 K340 D341 W343I331-K335 HydrophobicContact CG2-CB 4.31Å; I331-K335 WeakPolarHBondContact O-CB 3.29Å; I331-K335 PolarHBondContact O-N 3.05Å; K335-L337 PolarHBondContact O-N 3.2Å; K335-F338 WeakPolarHBondContact O-CB 3.34Å; K335-F338 PolarHBondContact O-N 3.39Å; K335-K340 CarbonylContact C-O 3.44Å; K335-K340 VanDerWaalsContact C-O 3.27Å; K335-K340 HydrophobicContact CB-CB 4.47Å; K335-K340 WeakPolarHBondContact O-CB 3.34Å; K335-K340 PolarHBondContact O-N 2.78Å; K335-D341 VanDerWaalsContact CE-O 3.27Å; K335-D341 WeakPolarHBondContact CE-O 3.11Å; K335-D341 PolarHBondContact NZ-O 3.03Å; K335-W343 HydrophobicContact CB-CB 4.43Å; K335-W343 HydrophobicContact CB-CE3 3.85Å
336E90.6Very high90.4Very high144 Ų14462 Ų6267%0.67335%0.347SS*.G310 helixtrans-63.2-29.5176.6-65.1-179.3-173.400111.9T334 F338 G339 K340T334-E336 PolarHBondContact O-N 2.68Å; E336-F338 PolarHBondContact O-N 2.96Å; E336-G339 WeakPolarHBondContact O-CA 3.31Å; E336-G339 PolarHBondContact O-N 2.88Å; E336-K340 PolarHBondContact N-O 3.25Å
337L90.2Very high90.6Very high12 Ų1262.6 Ų62.66%0.06335%0.35CS..G310 helixtrans-65.1-24.6174.6-55.7-178000112.4Y105 V278 I280 I285 F289 I326 T334 K335 G339Y105-L337 WeakPolarHBondContact CE2-O 3.03Å; Y105-L337 PolarHBondContact OH-O 2.86Å; Y105-L337 VanDerWaalsContact OH-O 3.11Å; V278-L337 HydrophobicContact CB-CD2 4.35Å; V278-L337 HydrophobicContact CG1-CD2 3.69Å; I280-L337 HydrophobicContact CD1-CD1 4.19Å; I280-L337 HydrophobicContact CG2-CD2 4.37Å; I285-L337 HydrophobicContact CG2-CD1 4.31Å; F289-L337 HydrophobicContact CE2-CD1 3.84Å; F289-L337 HydrophobicContact CE2-CD2 4.04Å; F289-L337 HydrophobicContact CE2-CG 4.43Å; F289-L337 HydrophobicContact CZ-CB 4.25Å; F289-L337 HydrophobicContact CZ-CD1 4.05Å; F289-L337 HydrophobicContact CZ-CD2 4.17Å; F289-L337 HydrophobicContact CZ-CG 4.4Å; I326-L337 HydrophobicContact CD1-CD1 4.24Å; T334-L337 HydrophobicContact CG2-CD1 4.17Å; T334-L337 WeakPolarHBondContact O-CA 3.45Å; T334-L337 WeakPolarHBondContact O-CB 3.48Å; T334-L337 WeakPolarHBondContact O-CG 3.42Å; T334-L337 PolarHBondContact O-N 3.12Å; K335-L337 PolarHBondContact O-N 3.2Å; L337-G339 VanDerWaalsContact C-N 3.29Å
338F91.9Very high90.9Very high37 Ų3762.8 Ų62.816%0.16235%0.351CS..G310 helixtrans-90.66.8173.3-64.9-97.7000112.3F101 I326 I331 T334 K335 E336 K340 W343 A351F101-F338 HydrophobicContact CB-CD1 4.47Å; F101-F338 AromaticContact CD1-CD1 3.7Å; F101-F338 HydrophobicContact CD1-CD1 3.7Å; F101-F338 AromaticContact CD1-CE1 3.29Å; F101-F338 HydrophobicContact CD1-CE1 3.29Å; F101-F338 AromaticContact CD1-CZ 4Å; F101-F338 HydrophobicContact CD1-CZ 4Å; F101-F338 HydrophobicContact CE1-CD1 4.09Å; F101-F338 AromaticContact CE1-CE1 3.43Å; F101-F338 HydrophobicContact CE1-CE1 3.43Å; F101-F338 VanDerWaalsContact CE1-CE1 3.43Å; F101-F338 HydrophobicContact CE1-CE2 4.41Å; F101-F338 AromaticContact CE1-CZ 3.61Å; F101-F338 HydrophobicContact CE1-CZ 3.61Å; F101-F338 HydrophobicContact CG-CD1 4.06Å; F101-F338 HydrophobicContact CG-CE1 4.12Å; F101-F338 HydrophobicContact CZ-CE1 4.31Å; F101-F338 HydrophobicContact CZ-CZ 4.28Å; I326-F338 HydrophobicContact CB-CZ 4.39Å; I326-F338 HydrophobicContact CD1-CE2 4.25Å; I326-F338 HydrophobicContact CD1-CZ 4.4Å; I326-F338 HydrophobicContact CG2-CE2 4.42Å; I331-F338 HydrophobicContact CD1-CE2 4.07Å; T334-F338 WeakPolarHBondContact O-CD2 3.18Å; K335-F338 WeakPolarHBondContact O-CB 3.34Å; K335-F338 PolarHBondContact O-N 3.39Å; E336-F338 PolarHBondContact O-N 2.96Å; F338-K340 HydrophobicContact CB-CG 4.27Å; F338-W343 HydrophobicContact CB-CH2 4.33Å; F338-W343 HydrophobicContact CB-CZ3 3.72Å; F338-W343 AromaticContact CD1-CH2 3.96Å; F338-W343 HydrophobicContact CD1-CH2 3.96Å; F338-W343 HydrophobicContact CD1-CZ3 4.22Å; F338-W343 AromaticContact CD2-CH2 3.92Å; F338-W343 HydrophobicContact CD2-CH2 3.92Å; F338-W343 AromaticContact CD2-CZ3 3.73Å; F338-W343 HydrophobicContact CD2-CZ3 3.73Å; F338-W343 HydrophobicContact CE1-CH2 4.2Å; F338-W343 HydrophobicContact CE2-CH2 4.18Å; F338-W343 HydrophobicContact CE2-CZ3 4.4Å; F338-W343 AromaticContact CG-CH2 3.81Å; F338-W343 HydrophobicContact CG-CH2 3.81Å; F338-W343 AromaticContact CG-CZ3 3.63Å; F338-W343 HydrophobicContact CG-CZ3 3.63Å; F338-W343 HydrophobicContact CZ-CH2 4.32Å; F338-A351 HydrophobicContact CE1-CB 3.98Å
339G89.8Confident91.4Very high67 Ų6759.1 Ų59.169%0.69133%0.331SS*.THydrogen-bonded Turntrans72.231.3-176.200000113.3E336 L337E336-G339 WeakPolarHBondContact O-CA 3.31Å; E336-G339 PolarHBondContact O-N 2.88Å; L337-G339 VanDerWaalsContact C-N 3.29Å
340K92Very high91.8Very high82 Ų8255.8 Ų55.836%0.35730%0.304SS..  trans-123.6122.2-173-65.9-73.1176.9154.50112K335 E336 F338 D342 W343 D347K335-K340 CarbonylContact C-O 3.44Å; K335-K340 VanDerWaalsContact C-O 3.27Å; K335-K340 HydrophobicContact CB-CB 4.47Å; K335-K340 WeakPolarHBondContact O-CB 3.34Å; K335-K340 PolarHBondContact O-N 2.78Å; E336-K340 PolarHBondContact N-O 3.25Å; F338-K340 HydrophobicContact CB-CG 4.27Å; K340-D342 WeakPolarHBondContact CB-O 3.41Å; K340-W343 HydrophobicContact CB-CE3 4.29Å; K340-W343 HydrophobicContact CG-CE3 4.41Å; K340-W343 HydrophobicContact CG-CZ3 4.44Å; K340-D347 WeakPolarHBondContact CE-OD1 3.44Å; K340-D347 IonicContact NZ-OD1 3.51Å; K340-D347 PolarHBondContact NZ-OD1 3.32Å
341D89.9Confident92.2Very high148 Ų14853.6 Ų53.679%0.79130%0.299SS*.SBendtrans-75-30172.7-64.4-30.2000112.1K335K335-D341 VanDerWaalsContact CE-O 3.27Å; K335-D341 WeakPolarHBondContact CE-O 3.11Å; K335-D341 PolarHBondContact NZ-O 3.03Å
342D92.4Very high92.6Very high114 Ų11454.2 Ų54.261%0.6130%0.301SS*.SBendtrans-132.5156.6175.7-167.320.4000110.1K340K340-D342 WeakPolarHBondContact CB-O 3.41Å
343W94.3Very high93.1Very high40 Ų4048.7 Ų48.715%0.15227%0.27CS..  trans-123.7114-176.2-167.2-89.1000112.2I331 K335 F338 K340 D347 T348 A351I331-W343 HydrophobicContact CB-CD2 4.47Å; I331-W343 HydrophobicContact CD1-CH2 3.78Å; I331-W343 HydrophobicContact CD1-CZ2 3.61Å; I331-W343 HydrophobicContact CD1-CZ3 4.34Å; I331-W343 HydrophobicContact CG1-CZ2 4.08Å; I331-W343 HydrophobicContact CG2-CB 3.68Å; I331-W343 VanDerWaalsContact CG2-CD1 3.47Å; I331-W343 HydrophobicContact CG2-CD2 3.2Å; I331-W343 VanDerWaalsContact CG2-CE2 3.47Å; I331-W343 HydrophobicContact CG2-CE3 3.77Å; I331-W343 HydrophobicContact CG2-CG 3.16Å; I331-W343 HydrophobicContact CG2-CZ2 4.2Å; I331-W343 HydrophobicContact CG2-CZ3 4.45Å; K335-W343 HydrophobicContact CB-CB 4.43Å; K335-W343 HydrophobicContact CB-CE3 3.85Å; F338-W343 HydrophobicContact CB-CH2 4.33Å; F338-W343 HydrophobicContact CB-CZ3 3.72Å; F338-W343 AromaticContact CD1-CH2 3.96Å; F338-W343 HydrophobicContact CD1-CH2 3.96Å; F338-W343 HydrophobicContact CD1-CZ3 4.22Å; F338-W343 AromaticContact CD2-CH2 3.92Å; F338-W343 HydrophobicContact CD2-CH2 3.92Å; F338-W343 AromaticContact CD2-CZ3 3.73Å; F338-W343 HydrophobicContact CD2-CZ3 3.73Å; F338-W343 HydrophobicContact CE1-CH2 4.2Å; F338-W343 HydrophobicContact CE2-CH2 4.18Å; F338-W343 HydrophobicContact CE2-CZ3 4.4Å; F338-W343 AromaticContact CG-CH2 3.81Å; F338-W343 HydrophobicContact CG-CH2 3.81Å; F338-W343 AromaticContact CG-CZ3 3.63Å; F338-W343 HydrophobicContact CG-CZ3 3.63Å; F338-W343 HydrophobicContact CZ-CH2 4.32Å; K340-W343 HydrophobicContact CB-CE3 4.29Å; K340-W343 HydrophobicContact CG-CE3 4.41Å; K340-W343 HydrophobicContact CG-CZ3 4.44Å; W343-D347 HydrophobicContact CD2-CB 3.73Å; W343-D347 HydrophobicContact CE3-CB 3.95Å; W343-D347 HydrophobicContact CG-CB 4.26Å; W343-D347 HydrophobicContact CH2-CB 4.3Å; W343-D347 HydrophobicContact CZ2-CB 4.08Å; W343-D347 HydrophobicContact CZ3-CB 4.22Å; W343-T348 PolarHBondContact NE1-OG1 3.04Å; W343-A351 HydrophobicContact CH2-CB 3.77Å; W343-A351 HydrophobicContact CZ2-CB 3.8Å
344T94.3Very high93.7Very high63 Ų6346.4 Ų46.439%0.38725%0.251SS..  trans-95.3167179.169.60000111.9F346 D347 T348T344-F346 PolarHBondContact O-N 3.44Å; T344-F346 PolarHBondContact OG1-N 2.97Å; T344-D347 WeakPolarHBondContact CB-OD2 3.24Å; T344-D347 PolarHBondContact N-OD2 2.86Å; T344-D347 PolarHBondContact O-N 3.03Å; T344-D347 VanDerWaalsContact OG1-CG 3.27Å; T344-D347 PolarHBondContact OG1-N 3.49Å; T344-D347 VanDerWaalsContact OG1-N 3.14Å; T344-D347 PolarHBondContact OG1-OD2 2.82Å; T344-T348 PolarHBondContact O-N 3.38Å; T344-T348 VanDerWaalsContact O-N 3.17Å; T344-T348 PolarHBondContact O-OG1 3.33Å
345T93.9Very high94.1Very high53 Ų5346.6 Ų46.633%0.32525%0.252SS..Hα-helixtrans-55.8-38.6167.8-54.40000111.4D347 T348 I349 H424 Y429T345-D347 PolarHBondContact O-N 3.31Å; T345-T348 VanDerWaalsContact O-CB 3.27Å; T345-T348 WeakPolarHBondContact O-CB 3.39Å; T345-T348 PolarHBondContact O-N 2.92Å; T345-I349 WeakPolarHBondContact O-CG1 3.41Å; T345-I349 PolarHBondContact O-N 2.98Å; T345-H424 HydrophobicContact CG2-CB 3.99Å; T345-H424 WeakPolarHBondContact CG2-CD2 3.44Å; T345-Y429 WeakPolarHBondContact CB-OH 3.32Å; T345-Y429 HydrophobicContact CG2-CE2 3.9Å; T345-Y429 WeakPolarHBondContact CG2-OH 3.42Å
346F95.8Very high94.4Very high20 Ų2044.3 Ų44.39%0.08824%0.242CC..Hα-helixtrans-62.2-43.1177.2179.6-106.2000111.6T344 T348 I349 Q350 Y429T344-F346 PolarHBondContact O-N 3.44Å; T344-F346 PolarHBondContact OG1-N 2.97Å; F346-T348 PolarHBondContact O-N 3.4Å; F346-I349 WeakPolarHBondContact O-CB 3.35Å; F346-I349 PolarHBondContact O-N 3.31Å; F346-Q350 HydrophobicContact CD1-CG 3.97Å; F346-Q350 HydrophobicContact CD2-CG 4.44Å; F346-Q350 HydrophobicContact CE1-CG 3.55Å; F346-Q350 HydrophobicContact CE2-CG 4.06Å; F346-Q350 VanDerWaalsContact CE2-NE2 3.32Å; F346-Q350 HydrophobicContact CG-CG 4.41Å; F346-Q350 HydrophobicContact CZ-CG 3.6Å; F346-Q350 WeakPolarHBondContact O-CG 3.37Å; F346-Q350 PolarHBondContact O-N 3Å; F346-Y429 HydrophobicContact CB-CD1 4.18Å; F346-Y429 HydrophobicContact CB-CG 4.3Å; F346-Y429 HydrophobicContact CD2-CG 4.35Å
347D95.6Very high94.8Very high13 Ų1337.4 Ų37.47%0.0721%0.21CC..Hα-helixtrans-60.5-36.4176-59.3-58.1000111.8K340 W343 T344 T345 I349 Q350 A351K340-D347 WeakPolarHBondContact CE-OD1 3.44Å; K340-D347 IonicContact NZ-OD1 3.51Å; K340-D347 PolarHBondContact NZ-OD1 3.32Å; W343-D347 HydrophobicContact CD2-CB 3.73Å; W343-D347 HydrophobicContact CE3-CB 3.95Å; W343-D347 HydrophobicContact CG-CB 4.26Å; W343-D347 HydrophobicContact CH2-CB 4.3Å; W343-D347 HydrophobicContact CZ2-CB 4.08Å; W343-D347 HydrophobicContact CZ3-CB 4.22Å; T344-D347 WeakPolarHBondContact CB-OD2 3.24Å; T344-D347 PolarHBondContact N-OD2 2.86Å; T344-D347 PolarHBondContact O-N 3.03Å; T344-D347 VanDerWaalsContact OG1-CG 3.27Å; T344-D347 PolarHBondContact OG1-N 3.49Å; T344-D347 VanDerWaalsContact OG1-N 3.14Å; T344-D347 PolarHBondContact OG1-OD2 2.82Å; T345-D347 PolarHBondContact O-N 3.31Å; D347-I349 VanDerWaalsContact C-N 3.31Å; D347-I349 PolarHBondContact O-N 2.92Å; D347-Q350 PolarHBondContact O-N 3.42Å; D347-A351 VanDerWaalsContact O-CB 3.31Å; D347-A351 WeakPolarHBondContact O-CB 3.23Å; D347-A351 PolarHBondContact O-N 3.17Å
348T94.5Very high95.2Very high27 Ų2736.9 Ų36.917%0.16621%0.208CC..Hα-helixtrans-59.1-41.9174.1-51.60000111.9W343 T344 T345 F346 Q352W343-T348 PolarHBondContact NE1-OG1 3.04Å; T344-T348 PolarHBondContact O-N 3.38Å; T344-T348 VanDerWaalsContact O-N 3.17Å; T344-T348 PolarHBondContact O-OG1 3.33Å; T345-T348 VanDerWaalsContact O-CB 3.27Å; T345-T348 WeakPolarHBondContact O-CB 3.39Å; T345-T348 PolarHBondContact O-N 2.92Å; F346-T348 PolarHBondContact O-N 3.4Å; T348-Q352 WeakPolarHBondContact O-CG 3.36Å; T348-Q352 PolarHBondContact O-NE2 3.13Å
349I95.4Very high95.5Very high5 Ų535.2 Ų35.23%0.02620%0.2CC..Hα-helixtrans-67.1-48.6177.4-58.5165.1000109.8Y137 T345 F346 D347 A351 Q352 F411 V417 H424 Y429Y137-I349 WeakPolarHBondContact CE1-O 3.41Å; T345-I349 WeakPolarHBondContact O-CG1 3.41Å; T345-I349 PolarHBondContact O-N 2.98Å; F346-I349 WeakPolarHBondContact O-CB 3.35Å; F346-I349 PolarHBondContact O-N 3.31Å; D347-I349 VanDerWaalsContact C-N 3.31Å; D347-I349 PolarHBondContact O-N 2.92Å; I349-A351 VanDerWaalsContact C-N 3.27Å; I349-A351 PolarHBondContact O-N 3.26Å; I349-Q352 WeakPolarHBondContact O-CB 3.28Å; I349-Q352 WeakPolarHBondContact O-CG 3.16Å; I349-Q352 PolarHBondContact O-N 3.5Å; I349-Q352 VanDerWaalsContact O-N 3.12Å; I349-F411 HydrophobicContact CG2-CE2 4.04Å; I349-F411 HydrophobicContact CG2-CZ 4.4Å; I349-V417 HydrophobicContact CG2-CG2 3.64Å; I349-H424 HydrophobicContact CD1-CB 3.71Å; I349-H424 HydrophobicContact CG1-CB 4.31Å; I349-Y429 HydrophobicContact CD1-CD2 4.13Å; I349-Y429 HydrophobicContact CD1-CE2 4.5Å
350Q95.3Very high95.9Very high34 Ų3432.3 Ų32.316%0.15917%0.169CC..Hα-helixtrans-64.2-31.2-178.6-62.4-52.9-57.500112.7Y137 F346 D347 Q352 K353Y137-Q350 PolarHBondContact OH-NE2 3.01Å; Y137-Q350 PolarHBondContact OH-OE1 3.27Å; F346-Q350 HydrophobicContact CD1-CG 3.97Å; F346-Q350 HydrophobicContact CD2-CG 4.44Å; F346-Q350 HydrophobicContact CE1-CG 3.55Å; F346-Q350 HydrophobicContact CE2-CG 4.06Å; F346-Q350 VanDerWaalsContact CE2-NE2 3.32Å; F346-Q350 HydrophobicContact CG-CG 4.41Å; F346-Q350 HydrophobicContact CZ-CG 3.6Å; F346-Q350 WeakPolarHBondContact O-CG 3.37Å; F346-Q350 PolarHBondContact O-N 3Å; D347-Q350 PolarHBondContact O-N 3.42Å; Q350-Q352 PolarHBondContact O-N 3Å; Q350-K353 WeakPolarHBondContact O-CD 3.47Å; Q350-K353 VanDerWaalsContact O-CG 3.31Å; Q350-K353 WeakPolarHBondContact O-CG 3.5Å; Q350-K353 PolarHBondContact O-N 2.92Å
351A95.3Very high96.2Very high12 Ų1228.8 Ų28.810%0.09915%0.154CC..THydrogen-bonded Turntrans-66.3-14176.900000113.8H99 F338 W343 D347 I349 K353H99-A351 PolarHBondContact CE1-O 2.86Å; H99-A351 PolarHBondContact ND1-O 3.35Å; F338-A351 HydrophobicContact CE1-CB 3.98Å; W343-A351 HydrophobicContact CH2-CB 3.77Å; W343-A351 HydrophobicContact CZ2-CB 3.8Å; D347-A351 VanDerWaalsContact O-CB 3.31Å; D347-A351 WeakPolarHBondContact O-CB 3.23Å; D347-A351 PolarHBondContact O-N 3.17Å; I349-A351 VanDerWaalsContact C-N 3.27Å; I349-A351 PolarHBondContact O-N 3.26Å; A351-K353 PolarHBondContact O-N 2.92Å
352Q96.7Very high96.4Very high20 Ų2024.8 Ų24.89%0.09315%0.148CC..THydrogen-bonded Turntrans-79.9-1177.6-49.9-50.2-53.600113.4Y137 H138 T348 I349 Q350Y137-Q352 HydrophobicContact CD1-CB 4.07Å; H138-Q352 PolarHBondContact CD2-O 3.16Å; H138-Q352 PolarHBondContact CE1-OE1 3.16Å; H138-Q352 PolarHBondContact N-O 3.45Å; H138-Q352 PolarHBondContact NE2-OE1 3.4Å; T348-Q352 WeakPolarHBondContact O-CG 3.36Å; T348-Q352 PolarHBondContact O-NE2 3.13Å; I349-Q352 WeakPolarHBondContact O-CB 3.28Å; I349-Q352 WeakPolarHBondContact O-CG 3.16Å; I349-Q352 PolarHBondContact O-N 3.5Å; I349-Q352 VanDerWaalsContact O-N 3.12Å; Q350-Q352 PolarHBondContact O-N 3Å
353K98.3Very high96.5Very high34 Ų3421 Ų2115%0.14813%0.127CC..BIsolated β-bridgetrans-64.5139173.2-68.9170.4177.8-176.20111.2Q100 D134 N135 V136 Y137 Q350 A351Q100-K353 HydrophobicContact CB-CB 3.52Å; Q100-K353 HydrophobicContact CG-CB 4.17Å; Q100-K353 PolarHBondContact N-O 3.41Å; D134-K353 WeakPolarHBondContact O-CD 3.42Å; N135-K353 VanDerWaalsContact OD1-CE 3.26Å; N135-K353 WeakPolarHBondContact OD1-CE 3.31Å; N135-K353 PolarHBondContact OD1-NZ 3.29Å; V136-K353 CarbonylContact O-C 3.52Å; V136-K353 VanDerWaalsContact O-CA 3.24Å; V136-K353 WeakPolarHBondContact O-CA 3.32Å; Y137-K353 HydrophobicContact CD1-CG 3.82Å; Y137-K353 HydrophobicContact CD2-CG 4.4Å; Y137-K353 HydrophobicContact CE1-CD 4.37Å; Y137-K353 HydrophobicContact CE1-CG 3.53Å; Y137-K353 HydrophobicContact CE2-CG 4.11Å; Y137-K353 HydrophobicContact CG-CG 4.25Å; Y137-K353 VanDerWaalsContact CZ-CE 3.41Å; Y137-K353 WeakPolarHBondContact OH-CE 3.27Å; Q350-K353 WeakPolarHBondContact O-CD 3.47Å; Q350-K353 VanDerWaalsContact O-CG 3.31Å; Q350-K353 WeakPolarHBondContact O-CG 3.5Å; Q350-K353 PolarHBondContact O-N 2.92Å; A351-K353 PolarHBondContact O-N 2.92Å
354V98.7Very high96.5Very high1 Ų126.5 Ų26.51%0.00615%0.154CC..  trans-128.4147177.1-67.30000109.7V136 H138 G321V136-V354 HydrophobicContact CG1-CG2 4.26Å; V136-V354 PolarHBondContact O-N 3.47Å; H138-V354 HydrophobicContact CB-CG1 3.92Å; H138-V354 HydrophobicContact CB-CG2 4.2Å; G321-V354 WeakPolarHBondContact O-CG2 3.3Å
355P98.5Very high96.4Very high3 Ų330.7 Ų30.72%0.01917%0.167CC..  trans-63.9141.117927.3-34.7000111.5L95 A98 I103 Y320 G321L95-P355 HydrophobicContact CD1-CB 4.38Å; L95-P355 HydrophobicContact CD1-CG 3.77Å; A98-P355 HydrophobicContact CB-CG 4.22Å; A98-P355 VanDerWaalsContact O-CD 3.32Å; A98-P355 WeakPolarHBondContact O-CD 3.42Å; I103-P355 HydrophobicContact CD1-CB 4.15Å; I103-P355 HydrophobicContact CG1-CB 4.25Å; Y320-P355 CarbonylContact C-O 3.55Å; Y320-P355 VanDerWaalsContact CA-O 3.23Å; Y320-P355 WeakPolarHBondContact CA-O 3.03Å; G321-P355 PolarHBondContact N-O 2.88Å
356L98.9Very high96.3Very high1 Ų128.4 Ų28.41%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-136.6122.8164.8177.965.9000108.5S132 F133 V136 V318 L319 V378 L400S132-L356 WeakPolarHBondContact CA-O 3.37Å; F133-L356 HydrophobicContact CB-CB 4.35Å; F133-L356 HydrophobicContact CD2-CB 4.15Å; F133-L356 HydrophobicContact CD2-CD2 3.66Å; F133-L356 HydrophobicContact CD2-CG 3.8Å; F133-L356 HydrophobicContact CE2-CD2 4Å; F133-L356 HydrophobicContact CE2-CG 4.32Å; F133-L356 HydrophobicContact CG-CD2 4.24Å; F133-L356 PolarHBondContact N-O 2.75Å; V136-L356 HydrophobicContact CB-CB 4.28Å; V136-L356 HydrophobicContact CG1-CB 4.22Å; V136-L356 HydrophobicContact CG1-CD2 4.43Å; V136-L356 HydrophobicContact CG2-CB 4.2Å; V136-L356 HydrophobicContact CG2-CD2 3.95Å; V318-L356 HydrophobicContact CG1-CD1 4.02Å; L319-L356 WeakPolarHBondContact O-CA 3.15Å; L356-V378 HydrophobicContact CD1-CG1 4.39Å; L356-V378 HydrophobicContact CD1-CG2 4.15Å; L356-V378 HydrophobicContact CD2-CG2 3.94Å; L356-L400 HydrophobicContact CD2-CD1 3.42Å; L356-L400 VanDerWaalsContact CD2-CD1 3.42Å
357I98.9Very high96.2Very high0 Ų031.6 Ų31.60%018%0.175CC..EExtended strand (participates in β ladder)trans-132.4118178-54.6168.2000107.5V121 L124 Y125 V318 L319V121-I357 HydrophobicContact CG1-CD1 3.64Å; L124-I357 HydrophobicContact CB-CG2 4.32Å; Y125-I357 HydrophobicContact CD2-CD1 4.07Å; Y125-I357 HydrophobicContact CD2-CG1 3.93Å; Y125-I357 HydrophobicContact CG-CD1 4.48Å; V318-I357 CarbonylContact C-O 3.19Å; V318-I357 WeakPolarHBondContact CA-O 3.23Å; L319-I357 HydrophobicContact CB-CB 4.26Å; L319-I357 HydrophobicContact CD1-CB 4.2Å; L319-I357 HydrophobicContact CD1-CG2 4.32Å; L319-I357 PolarHBondContact N-O 3.23Å; L319-I357 PolarHBondContact O-N 2.98Å
358I98.9Very high96.4Very high1 Ų133.4 Ų33.41%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-103.195.2171.4-56.6174000107.2S130 F131 F133 M316 V318 T381 L382 L385S130-I358 CarbonylContact C-O 3.56Å; S130-I358 WeakPolarHBondContact CA-O 3.25Å; F131-I358 HydrophobicContact CB-CB 4.31Å; F131-I358 PolarHBondContact N-O 2.98Å; F131-I358 PolarHBondContact O-N 3.3Å; F133-I358 HydrophobicContact CE2-CD1 4.08Å; F133-I358 HydrophobicContact CE2-CG1 4.41Å; M316-I358 HydrophobicContact CG-CG2 3.88Å; M316-I358 HydrophobicContact SD-CG2 3.67Å; V318-I358 HydrophobicContact CG1-CG1 4.21Å; V318-I358 HydrophobicContact CG2-CG2 4.41Å; I358-T381 HydrophobicContact CD1-CG2 3.82Å; I358-L382 HydrophobicContact CD1-CD2 4.09Å; I358-L382 HydrophobicContact CG1-CD2 4.5Å; I358-L385 HydrophobicContact CD1-CD1 4.17Å; I358-L385 HydrophobicContact CG2-CD1 3.87Å
359H98.8Very high96.5Very high1 Ų134.1 Ų34.11%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-88.8122.3-180-172.973.1000111.1S130 Y312 I317S130-H359 PolarHBondContact OG-ND1 3.13Å; Y312-H359 AromaticContact CE2-NE2 3.77Å; Y312-H359 AromaticContact CZ-NE2 3.45Å; Y312-H359 PolarHBondContact OH-NE2 3.48Å; I317-H359 HydrophobicContact CB-CB 4.43Å; I317-H359 PolarHBondContact N-O 2.88Å; I317-H359 WeakPolarHBondContact O-CB 3.47Å; I317-H359 PolarHBondContact O-N 3.44Å
360L98.4Very high96.5Very high7 Ų739.3 Ų39.34%0.03721%0.211CC..  trans-12794.6-178.1-174.865.4000109.4I84 A85 K88 S129 M316 G362 Q363I84-L360 HydrophobicContact CD1-CD2 3.72Å; I84-L360 HydrophobicContact CG1-CD2 3.78Å; A85-L360 HydrophobicContact CB-CD1 3.86Å; A85-L360 HydrophobicContact CB-CD2 4.36Å; K88-L360 HydrophobicContact CD-CD1 3.35Å; K88-L360 VanDerWaalsContact CE-CD1 3.49Å; S129-L360 WeakPolarHBondContact CB-O 3.48Å; S129-L360 CarbonylContact O-C 3.56Å; S129-L360 PolarHBondContact O-N 3.13Å; M316-L360 HydrophobicContact CB-CD1 4.08Å; M316-L360 HydrophobicContact CG-CD1 4.47Å; L360-G362 PolarHBondContact O-N 3.3Å; L360-Q363 HydrophobicContact CB-CB 4.05Å; L360-Q363 HydrophobicContact CD2-CB 4.22Å; L360-Q363 HydrophobicContact CG-CB 4.24Å; L360-Q363 WeakPolarHBondContact O-CB 3.23Å; L360-Q363 PolarHBondContact O-N 3.09Å
361P97.5Very high96.6Very high7 Ų738.4 Ų38.45%0.04521%0.208CC..THydrogen-bonded Turntrans-51.5132.5178-30.340.1000112.5Y312 S315 I317 Q363Y312-P361 HydrophobicContact CD1-CB 3.93Å; Y312-P361 HydrophobicContact CD1-CG 3.79Å; Y312-P361 HydrophobicContact CD2-CG 4.1Å; Y312-P361 HydrophobicContact CE1-CB 3.64Å; Y312-P361 HydrophobicContact CE1-CG 3.53Å; Y312-P361 HydrophobicContact CE2-CG 3.87Å; Y312-P361 HydrophobicContact CG-CG 4.08Å; Y312-P361 WeakPolarHBondContact O-CG 3.41Å; S315-P361 WeakPolarHBondContact O-CD 3.22Å; I317-P361 HydrophobicContact CD1-CG 4.25Å; P361-Q363 VanDerWaalsContact C-N 3.32Å
362G93.8Very high96.7Very high65 Ų6539.2 Ų39.267%0.6721%0.209SC*.THydrogen-bonded Turntrans85.3-5.9-174.800000115L360L360-G362 PolarHBondContact O-N 3.3Å
363Q94.3Very high96.8Very high33 Ų3338.3 Ų38.315%0.15420%0.204CC..  trans-70.3140165.7177.359.9-8500109.9Q128 S129 F131 L360 P361Q128-Q363 CarbonylContact C-O 3.54Å; Q128-Q363 CarbonylContact O-C 3.35Å; S129-Q363 WeakPolarHBondContact CA-O 3.43Å; S129-Q363 WeakPolarHBondContact CB-O 3.35Å; S129-Q363 PolarHBondContact OG-O 3.28Å; F131-Q363 HydrophobicContact CE2-CG 4.27Å; F131-Q363 HydrophobicContact CZ-CG 4.11Å; L360-Q363 HydrophobicContact CB-CB 4.05Å; L360-Q363 HydrophobicContact CD2-CB 4.22Å; L360-Q363 HydrophobicContact CG-CB 4.24Å; L360-Q363 WeakPolarHBondContact O-CB 3.23Å; L360-Q363 PolarHBondContact O-N 3.09Å; P361-Q363 VanDerWaalsContact C-N 3.32Å
364E94.1Very high96.8Very high156 Ų15636.7 Ų36.773%0.72920%0.197SC*.SBendtrans-118.6-12.4179.3-61-175.8165.600112.7Q128Q128-E364 CarbonylContact O-C 3.51Å
365K92.5Very high96.8Very high151 Ų15136.8 Ų36.866%0.65720%0.198SC*.  trans-105.315.2-178.7-58.5-174.3179.1-177.40113.5
366G92.5Very high96.8Very high6 Ų636.7 Ų36.76%0.06220%0.197CC..  trans-64.3140.1170.100000110.3Q128 S130Q128-G366 WeakPolarHBondContact O-CA 3.25Å; Q128-G366 PolarHBondContact O-N 3.35Å; S130-G366 CarbonylContact O-C 3.41Å; S130-G366 WeakPolarHBondContact O-CA 3.39Å
367T94.4Very high96.8Very high86 Ų8636.8 Ų36.853%0.52820%0.198SC..  trans-146.2165.1178.660.90000109.9S130 S132 N369S130-T367 PolarHBondContact O-N 3.06Å; S132-T367 PolarHBondContact N-O 3.16Å; T367-N369 PolarHBondContact O-N 2.87Å
368I98.1Very high96.8Very high52 Ų5236.9 Ų36.927%0.26720%0.198SC..EExtended strand (participates in β ladder)trans-74.1117.5161.1-59.6162.2000107.1Y125 S132Y125-I368 HydrophobicContact CD1-CD1 4Å; Y125-I368 HydrophobicContact CD1-CG1 4.15Å; Y125-I368 HydrophobicContact CE1-CD1 3.41Å; Y125-I368 VanDerWaalsContact CE1-CD1 3.41Å; Y125-I368 HydrophobicContact CE1-CG1 3.59Å; Y125-I368 HydrophobicContact CE1-CG2 4.27Å; Y125-I368 VanDerWaalsContact OH-CG2 3.27Å; Y125-I368 WeakPolarHBondContact OH-CG2 3.28Å; S132-I368 CarbonylContact O-C 3.55Å; S132-I368 WeakPolarHBondContact O-CA 3.33Å
369N96.7Very high96.8Very high41 Ų4136.9 Ų36.922%0.21920%0.198CC..EExtended strand (participates in β ladder)trans-101.4125.5-179.4-174.4-25.9000109.6S132 F133 T367 T371S132-N369 PolarHBondContact O-N 3.07Å; F133-N369 WeakPolarHBondContact CA-O 3.48Å; F133-N369 HydrophobicContact CD1-CB 3.76Å; F133-N369 HydrophobicContact CE1-CB 3.79Å; T367-N369 PolarHBondContact O-N 2.87Å; N369-T371 VanDerWaalsContact C-N 3.33Å; N369-T371 VanDerWaalsContact OD1-CB 3.31Å; N369-T371 WeakPolarHBondContact OD1-CB 3.36Å; N369-T371 VanDerWaalsContact OD1-CG2 3.31Å; N369-T371 WeakPolarHBondContact OD1-CG2 3.5Å; N369-T371 PolarHBondContact OD1-N 2.96Å
370H97Very high96.7Very high115 Ų11537 Ų3753%0.53220%0.199SC..  trans-89.87.4-175.8-53.7-61.1000114.3D134 N135D134-H370 VanDerWaalsContact OD1-CA 3.31Å; D134-H370 WeakPolarHBondContact OD1-CA 3.24Å; D134-H370 IonicContact OD1-ND1 3.37Å; D134-H370 PolarHBondContact OD1-ND1 3.42Å; D134-H370 IonicContact OD2-CE1 2.77Å; D134-H370 PolarHBondContact OD2-CE1 3.38Å; D134-H370 IonicContact OD2-CG 3.78Å; D134-H370 IonicContact OD2-ND1 3.98Å; D134-H370 PolarHBondContact OD2-ND1 3.17Å; N135-H370 PolarHBondContact ND2-O 3.4Å
371T96.6Very high96.7Very high15 Ų1536.7 Ų36.79%0.09220%0.197CC..  trans-64.7139.9179.6-165.20000111.7F133 N135 N369 G373 L400 R405 Q407F133-T371 HydrophobicContact CD1-CG2 4.06Å; F133-T371 HydrophobicContact CE1-CG2 4.1Å; N135-T371 WeakPolarHBondContact CB-O 3.28Å; N369-T371 VanDerWaalsContact C-N 3.33Å; N369-T371 VanDerWaalsContact OD1-CB 3.31Å; N369-T371 WeakPolarHBondContact OD1-CB 3.36Å; N369-T371 VanDerWaalsContact OD1-CG2 3.31Å; N369-T371 WeakPolarHBondContact OD1-CG2 3.5Å; N369-T371 PolarHBondContact OD1-N 2.96Å; T371-G373 PolarHBondContact O-N 2.9Å; T371-L400 HydrophobicContact CG2-CD2 4.36Å; T371-R405 PolarHBondContact OG1-NH1 3.39Å; T371-R405 VanDerWaalsContact OG1-NH1 3.14Å; T371-Q407 PolarHBondContact OG1-OE1 2.93Å
372Y98Very high96.8Very high29 Ų2936.4 Ų36.411%0.11420%0.196CC..  trans-80.2114.9176.8-72.7-104.5000110.5N135 Y137 R405 V417 T418N135-Y372 HydrophobicContact CB-CD1 4.01Å; N135-Y372 HydrophobicContact CB-CD2 4.25Å; N135-Y372 HydrophobicContact CB-CE1 4.24Å; N135-Y372 HydrophobicContact CB-CE2 4.46Å; N135-Y372 HydrophobicContact CB-CG 4.02Å; N135-Y372 WeakPolarHBondContact O-CA 3.32Å; Y137-Y372 AromaticContact CE2-CD1 3.87Å; Y137-Y372 HydrophobicContact CE2-CD1 3.87Å; Y137-Y372 HydrophobicContact CE2-CE1 4.35Å; Y372-R405 PolarHBondContact O-NH1 3.34Å; Y372-R405 PolarHBondContact O-NH2 3.28Å; Y372-V417 HydrophobicContact CD1-CG1 3.44Å; Y372-V417 VanDerWaalsContact CD1-CG1 3.44Å; Y372-V417 HydrophobicContact CE1-CG1 3.65Å; Y372-T418 WeakPolarHBondContact CD1-O 3.43Å
373G98.3Very high97Very high0 Ų033.3 Ų33.30%016%0.164CC..EExtended strand (participates in β ladder)trans-136.1167-175.500000113.1N135 V136 Y137 T371 D377 V409N135-G373 PolarHBondContact O-N 3.44Å; V136-G373 VanDerWaalsContact CA-O 3.31Å; V136-G373 WeakPolarHBondContact CA-O 3.44Å; Y137-G373 PolarHBondContact N-O 3.23Å; T371-G373 PolarHBondContact O-N 2.9Å; G373-D377 WeakPolarHBondContact CA-OD2 3.26Å; G373-V409 VanDerWaalsContact C-CG2 3.45Å; G373-V409 WeakPolarHBondContact O-CG2 3.41Å
374G98.5Very high97.1Very high0 Ų031.9 Ų31.90%016%0.157CC..EExtended strand (participates in β ladder)trans-119.3167.9171.800000112.1Q139 I376 D377Q139-G374 VanDerWaalsContact OE1-C 3.32Å; Q139-G374 VanDerWaalsContact OE1-CA 3.23Å; G374-I376 PolarHBondContact O-N 3.45Å; G374-I376 VanDerWaalsContact O-N 3.15Å; G374-D377 PolarHBondContact N-OD2 2.82Å; G374-D377 VanDerWaalsContact O-CB 3.31Å; G374-D377 WeakPolarHBondContact O-CB 3.3Å; G374-D377 PolarHBondContact O-N 3.3Å
375Q98.8Very high97.3Very high3 Ų324.6 Ų24.61%0.01412%0.123CC..G310 helixtrans-54.9-28.2169.7-77.3173.5-28.700113.5Y137 L151 L152 G321 D322 D377 V378Y137-Q375 PolarHBondContact O-N 3.25Å; L151-Q375 HydrophobicContact CB-CB 3.92Å; L151-Q375 HydrophobicContact CD1-CB 4.11Å; L151-Q375 HydrophobicContact CG-CB 4.49Å; L152-Q375 HydrophobicContact CD1-CB 3.8Å; L152-Q375 HydrophobicContact CD1-CG 3.97Å; G321-Q375 PolarHBondContact O-NE2 3.39Å; D322-Q375 VanDerWaalsContact C-NE2 3.34Å; D322-Q375 PolarHBondContact O-NE2 2.81Å; Q375-D377 PolarHBondContact O-N 3.43Å; Q375-V378 WeakPolarHBondContact O-CG2 3.33Å; Q375-V378 PolarHBondContact O-N 2.71Å
376I98.4Very high97.6Very high2 Ų217.7 Ų17.71%0.019%0.093CC..G310 helixtrans-62.1-25.2177.3-156.1163.9000113.1L151 S155 F157 G374 L396L151-I376 HydrophobicContact CD2-CB 3.73Å; L151-I376 HydrophobicContact CD2-CD1 4.15Å; L151-I376 HydrophobicContact CD2-CG1 4.01Å; S155-I376 VanDerWaalsContact C-CG1 3.43Å; S155-I376 WeakPolarHBondContact CB-O 3.32Å; S155-I376 WeakPolarHBondContact O-CG1 3.46Å; S155-I376 PolarHBondContact OG-O 2.98Å; F157-I376 HydrophobicContact CD2-CD1 3.62Å; F157-I376 HydrophobicContact CE1-CD1 4.4Å; F157-I376 HydrophobicContact CE2-CD1 3.25Å; F157-I376 HydrophobicContact CG-CD1 4.33Å; F157-I376 HydrophobicContact CZ-CD1 3.68Å; G374-I376 PolarHBondContact O-N 3.45Å; G374-I376 VanDerWaalsContact O-N 3.15Å; I376-L396 HydrophobicContact CD1-CB 3.67Å; I376-L396 HydrophobicContact CD1-CD1 4.43Å; I376-L396 HydrophobicContact CG1-CB 4.4Å
377D98.4Very high97.8Very high3 Ų318.8 Ų18.82%0.01611%0.105CC..G310 helixtrans-83.4-11.3-176.4-63.1-39.7000112.9G373 G374 Q375 P380 T381 G397 H398 L400 R405G373-D377 WeakPolarHBondContact CA-OD2 3.26Å; G374-D377 PolarHBondContact N-OD2 2.82Å; G374-D377 VanDerWaalsContact O-CB 3.31Å; G374-D377 WeakPolarHBondContact O-CB 3.3Å; G374-D377 PolarHBondContact O-N 3.3Å; Q375-D377 PolarHBondContact O-N 3.43Å; D377-P380 WeakPolarHBondContact O-CD 3.33Å; D377-P380 VanDerWaalsContact O-CG 3.32Å; D377-P380 WeakPolarHBondContact O-CG 3.37Å; D377-T381 PolarHBondContact O-N 2.95Å; D377-T381 PolarHBondContact O-OG1 2.96Å; D377-G397 WeakPolarHBondContact OD1-CA 3.35Å; D377-H398 WeakPolarHBondContact CB-O 3.43Å; D377-H398 PolarHBondContact OD1-N 3.49Å; D377-L400 HydrophobicContact CB-CD1 4.27Å; D377-L400 HydrophobicContact CB-CD2 3.56Å; D377-L400 HydrophobicContact CB-CG 3.66Å; D377-R405 IonicContact OD1-NH2 3.39Å; D377-R405 IonicContact OD2-NH2 3.04Å; D377-R405 PolarHBondContact OD2-NH2 3.49Å
378V98.6Very high98Very high2 Ų216.5 Ų16.51%0.0129%0.087CC..Hα-helixtrans-68.4-46.9-173.7-176.40000111.5Y92 L152 L356 Q375 T381 L382Y92-V378 HydrophobicContact CE1-CG1 4.26Å; Y92-V378 WeakPolarHBondContact OH-CG1 3.44Å; L152-V378 HydrophobicContact CG-CB 4.32Å; L152-V378 HydrophobicContact CG-CG1 4.49Å; L356-V378 HydrophobicContact CD1-CG1 4.39Å; L356-V378 HydrophobicContact CD1-CG2 4.15Å; L356-V378 HydrophobicContact CD2-CG2 3.94Å; Q375-V378 WeakPolarHBondContact O-CG2 3.33Å; Q375-V378 PolarHBondContact O-N 2.71Å; V378-T381 VanDerWaalsContact O-CB 3.31Å; V378-T381 WeakPolarHBondContact O-CB 3.5Å; V378-T381 PolarHBondContact O-N 3.34Å; V378-L382 HydrophobicContact CG1-CG 4.27Å; V378-L382 WeakPolarHBondContact O-CG 3.46Å; V378-L382 PolarHBondContact O-N 3Å
379L98.5Very high97.8Very high1 Ų117.7 Ų17.71%0.0059%0.094CC..Hα-helixtrans-58-52.8-179.6-17854.2000113.8L152 E153 A177 T381 L382 L383 L395L152-L379 WeakPolarHBondContact O-CB 3.38Å; E153-L379 WeakPolarHBondContact O-CD2 3.44Å; A177-L379 HydrophobicContact CB-CD1 3.54Å; A177-L379 HydrophobicContact CB-CD2 4.29Å; L379-T381 PolarHBondContact O-N 2.82Å; L379-L382 PolarHBondContact O-N 2.85Å; L379-L382 VanDerWaalsContact O-N 3.14Å; L379-L383 HydrophobicContact CD1-CD1 4.07Å; L379-L383 HydrophobicContact CD1-CD2 4.47Å; L379-L383 HydrophobicContact CD1-CG 3.99Å; L379-L383 HydrophobicContact CG-CD1 4.02Å; L379-L383 HydrophobicContact CG-CG 4.4Å; L379-L383 WeakPolarHBondContact O-CG 3.44Å; L379-L383 PolarHBondContact O-N 3.06Å; L379-L395 HydrophobicContact CD2-CD2 3.86Å; L379-L395 HydrophobicContact CG-CD2 4.45Å
380P97.6Very high97.7Very high3 Ų315.9 Ų15.92%0.0198%0.084CC..Hα-helixtrans-59.8-36.3177.420.3-30.3000112.1D377 L383 H384 L395D377-P380 WeakPolarHBondContact O-CD 3.33Å; D377-P380 VanDerWaalsContact O-CG 3.32Å; D377-P380 WeakPolarHBondContact O-CG 3.37Å; P380-L383 PolarHBondContact O-N 3.32Å; P380-H384 PolarHBondContact O-N 3.24Å; P380-L395 HydrophobicContact CB-CD1 3.98Å
381T98.1Very high97.4Very high0 Ų013 Ų130%07%0.073CC..Hα-helixtrans-58.3-49.1173.4-51.80000111.4I358 D377 V378 L379 H384 L385 L400 L401I358-T381 HydrophobicContact CD1-CG2 3.82Å; D377-T381 PolarHBondContact O-N 2.95Å; D377-T381 PolarHBondContact O-OG1 2.96Å; V378-T381 VanDerWaalsContact O-CB 3.31Å; V378-T381 WeakPolarHBondContact O-CB 3.5Å; V378-T381 PolarHBondContact O-N 3.34Å; L379-T381 PolarHBondContact O-N 2.82Å; T381-H384 PolarHBondContact O-N 3.16Å; T381-L385 HydrophobicContact CG2-CD1 4.1Å; T381-L385 WeakPolarHBondContact O-CB 3.4Å; T381-L385 VanDerWaalsContact O-CG 3.3Å; T381-L385 WeakPolarHBondContact O-CG 3.43Å; T381-L385 PolarHBondContact O-N 3.18Å; T381-L400 HydrophobicContact CG2-CB 4.33Å; T381-L400 PolarHBondContact OG1-N 3.43Å; T381-L401 HydrophobicContact CG2-CD1 4.13Å; T381-L401 HydrophobicContact CG2-CG 4.08Å
382L98.5Very high97.2Very high1 Ų116.3 Ų16.31%0.0059%0.09CC..Hα-helixtrans-65.7-41.1179.9-62.3-161.8000112.6I90 Y92 M316 V318 I358 V378 L379 H384 L385 V386I90-L382 HydrophobicContact CG2-CD1 4.2Å; Y92-L382 HydrophobicContact CE1-CD1 4.37Å; Y92-L382 HydrophobicContact CE2-CD1 3.69Å; Y92-L382 VanDerWaalsContact CZ-CD1 3.47Å; Y92-L382 WeakPolarHBondContact OH-CD1 3.2Å; M316-L382 HydrophobicContact CE-CB 4.35Å; M316-L382 HydrophobicContact CE-CD1 4.44Å; M316-L382 HydrophobicContact CE-CD2 3.77Å; M316-L382 HydrophobicContact CE-CG 4.4Å; M316-L382 HydrophobicContact SD-CD2 4.06Å; V318-L382 HydrophobicContact CG2-CD1 4.13Å; V318-L382 HydrophobicContact CG2-CD2 3.83Å; I358-L382 HydrophobicContact CD1-CD2 4.09Å; I358-L382 HydrophobicContact CG1-CD2 4.5Å; V378-L382 HydrophobicContact CG1-CG 4.27Å; V378-L382 WeakPolarHBondContact O-CG 3.46Å; V378-L382 PolarHBondContact O-N 3Å; L379-L382 PolarHBondContact O-N 2.85Å; L379-L382 VanDerWaalsContact O-N 3.14Å; L382-H384 VanDerWaalsContact C-N 3.33Å; L382-H384 PolarHBondContact O-N 2.61Å; L382-L385 HydrophobicContact CD2-CD1 4.28Å; L382-L385 PolarHBondContact O-N 2.97Å; L382-V386 PolarHBondContact O-N 3.29Å
383L98.2Very high97.1Very high0 Ų015 Ų150%09%0.085CC..Hα-helixtrans-60.5-43.8177.9-70.4172.7000111.2I180 F181 L379 P380 V386 G387 Y388 L393 L395I180-L383 HydrophobicContact CG2-CD2 3.76Å; F181-L383 HydrophobicContact CE1-CD2 4.19Å; F181-L383 HydrophobicContact CZ-CD2 4Å; L379-L383 HydrophobicContact CD1-CD1 4.07Å; L379-L383 HydrophobicContact CD1-CD2 4.47Å; L379-L383 HydrophobicContact CD1-CG 3.99Å; L379-L383 HydrophobicContact CG-CD1 4.02Å; L379-L383 HydrophobicContact CG-CG 4.4Å; L379-L383 WeakPolarHBondContact O-CG 3.44Å; L379-L383 PolarHBondContact O-N 3.06Å; P380-L383 PolarHBondContact O-N 3.32Å; L383-V386 WeakPolarHBondContact O-CG2 3.31Å; L383-V386 PolarHBondContact O-N 2.82Å; L383-G387 PolarHBondContact O-N 3.2Å; L383-Y388 HydrophobicContact CB-CD1 4.34Å; L383-Y388 HydrophobicContact CD1-CD1 4.43Å; L383-Y388 HydrophobicContact CD2-CD1 3.94Å; L383-Y388 HydrophobicContact CD2-CG 4.41Å; L383-Y388 HydrophobicContact CG-CD1 4.47Å; L383-Y388 WeakPolarHBondContact O-CB 3.31Å; L383-Y388 PolarHBondContact O-N 3.45Å; L383-L393 HydrophobicContact CD1-CD1 3.71Å; L383-L395 HydrophobicContact CD1-CD1 3.79Å
384H98Very high97Very high4 Ų415.5 Ų15.52%0.0199%0.087CC..Hα-helixtrans-67.2-41.1176.2-70.5-179.1000112.2F82 G83 P380 T381 L382 V386 G387 S390 D399F82-H384 CarbonylContact C-O 3.53Å; F82-H384 WeakPolarHBondContact CA-O 3.48Å; F82-H384 HydrophobicContact CD2-CB 3.93Å; F82-H384 WeakPolarHBondContact CD2-O 3.19Å; F82-H384 HydrophobicContact CE2-CB 4.39Å; G83-H384 PolarHBondContact N-O 3.4Å; P380-H384 PolarHBondContact O-N 3.24Å; T381-H384 PolarHBondContact O-N 3.16Å; L382-H384 VanDerWaalsContact C-N 3.33Å; L382-H384 PolarHBondContact O-N 2.61Å; H384-V386 VanDerWaalsContact C-N 3.28Å; H384-V386 PolarHBondContact O-N 2.88Å; H384-G387 WeakPolarHBondContact O-CA 3.24Å; H384-G387 PolarHBondContact O-N 3.06Å; H384-S390 PolarHBondContact NE2-OG 3.29Å; H384-S390 VanDerWaalsContact NE2-OG 3.07Å; H384-D399 IonicContact CE1-OD2 3.25Å; H384-D399 IonicContact CG-OD2 3.82Å; H384-D399 VanDerWaalsContact ND1-CB 3.31Å; H384-D399 WeakPolarHBondContact ND1-CB 3.49Å; H384-D399 IonicContact ND1-OD2 2.77Å; H384-D399 PolarHBondContact ND1-OD2 2.77Å
385L98.1Very high96.8Very high2 Ų215.8 Ų15.81%0.019%0.089CC..Hα-helixtrans-58.7-37.5176.4-76.5170.7000112.5G83 I84 A85 F131 M316 I358 T381 L382 G387 L401G83-L385 CarbonylContact C-O 3.58Å; G83-L385 WeakPolarHBondContact CA-O 3.32Å; G83-L385 PolarHBondContact N-O 3.4Å; I84-L385 HydrophobicContact CD1-CD2 3.61Å; I84-L385 HydrophobicContact CG1-CD2 3.68Å; I84-L385 PolarHBondContact N-O 2.9Å; I84-L385 VanDerWaalsContact N-O 3.12Å; A85-L385 WeakPolarHBondContact CA-O 3.49Å; A85-L385 HydrophobicContact CB-CB 4.25Å; A85-L385 WeakPolarHBondContact CB-O 3.24Å; A85-L385 PolarHBondContact N-O 2.92Å; F131-L385 HydrophobicContact CE2-CD2 4.45Å; M316-L385 HydrophobicContact SD-CB 4.25Å; M316-L385 HydrophobicContact SD-CD1 3.79Å; I358-L385 HydrophobicContact CD1-CD1 4.17Å; I358-L385 HydrophobicContact CG2-CD1 3.87Å; T381-L385 HydrophobicContact CG2-CD1 4.1Å; T381-L385 WeakPolarHBondContact O-CB 3.4Å; T381-L385 VanDerWaalsContact O-CG 3.3Å; T381-L385 WeakPolarHBondContact O-CG 3.43Å; T381-L385 PolarHBondContact O-N 3.18Å; L382-L385 HydrophobicContact CD2-CD1 4.28Å; L382-L385 PolarHBondContact O-N 2.97Å; L385-G387 VanDerWaalsContact C-N 3.27Å; L385-G387 PolarHBondContact O-N 3.13Å; L385-L401 HydrophobicContact CD1-CD1 4.21Å; L385-L401 HydrophobicContact CD2-CD1 3.76Å; L385-L401 HydrophobicContact CG-CD1 4.17Å
386V98.2Very high96.7Very high6 Ų615.7 Ų15.74%0.0369%0.089CC..THydrogen-bonded Turntrans-81.9-3.4174-57.40000114I90 F181 L185 M316 L382 L383 H384I90-V386 HydrophobicContact CD1-CG1 4.03Å; F181-V386 HydrophobicContact CE1-CG1 4.45Å; F181-V386 HydrophobicContact CE1-CG2 3.99Å; L185-V386 HydrophobicContact CD1-CG2 3.94Å; M316-V386 HydrophobicContact CE-CG1 4.31Å; L382-V386 PolarHBondContact O-N 3.29Å; L383-V386 WeakPolarHBondContact O-CG2 3.31Å; L383-V386 PolarHBondContact O-N 2.82Å; H384-V386 VanDerWaalsContact C-N 3.28Å; H384-V386 PolarHBondContact O-N 2.88Å
387G97.4Very high96.6Very high29 Ų2915.8 Ų15.830%0.2999%0.09SC..THydrogen-bonded Turntrans83.626.617600000114.2F82 L383 H384 L385F82-G387 VanDerWaalsContact CZ-O 3.27Å; F82-G387 WeakPolarHBondContact CZ-O 3.17Å; L383-G387 PolarHBondContact O-N 3.2Å; H384-G387 WeakPolarHBondContact O-CA 3.24Å; H384-G387 PolarHBondContact O-N 3.06Å; L385-G387 VanDerWaalsContact C-N 3.27Å; L385-G387 PolarHBondContact O-N 3.13Å
388Y97.2Very high96.4Very high38 Ų3817.1 Ų17.115%0.14910%0.096CC..  trans-95.6125.6173.9-174.7-97.1000110.8I180 K184 L185 L383 S390 L393I180-Y388 HydrophobicContact CG2-CD1 4.5Å; I180-Y388 HydrophobicContact CG2-CE1 4.21Å; K184-Y388 HydrophobicContact CB-CD2 4.4Å; K184-Y388 HydrophobicContact CB-CE2 3.69Å; K184-Y388 HydrophobicContact CG-CE2 4.02Å; L185-Y388 HydrophobicContact CD1-CD2 4.4Å; L185-Y388 HydrophobicContact CD1-CG 4.46Å; L185-Y388 HydrophobicContact CD2-CD2 4Å; L185-Y388 HydrophobicContact CG-CD2 4.27Å; L383-Y388 HydrophobicContact CB-CD1 4.34Å; L383-Y388 HydrophobicContact CD1-CD1 4.43Å; L383-Y388 HydrophobicContact CD2-CD1 3.94Å; L383-Y388 HydrophobicContact CD2-CG 4.41Å; L383-Y388 HydrophobicContact CG-CD1 4.47Å; L383-Y388 WeakPolarHBondContact O-CB 3.31Å; L383-Y388 PolarHBondContact O-N 3.45Å; Y388-S390 PolarHBondContact O-N 3.41Å; Y388-L393 HydrophobicContact CD1-CD1 4.5Å; Y388-L393 HydrophobicContact CE1-CD1 3.78Å; Y388-L393 HydrophobicContact CE1-CG 4.33Å
389D94.6Very high96.4Very high77 Ų7717.2 Ų17.241%0.41210%0.096SC..  trans-74.4115.4172.3-174.1-18.6000109.6N391D389-N391 VanDerWaalsContact OD1-CB 3.23Å; D389-N391 WeakPolarHBondContact OD1-CB 3.19Å; D389-N391 PolarHBondContact OD1-N 3.43Å; D389-N391 PolarHBondContact OD1-ND2 2.87Å; D389-N391 PolarHBondContact OD2-ND2 2.89Å
390S94.1Very high96.3Very high4 Ų417.2 Ų17.23%0.02810%0.097CC..  trans-95.49-174.969.40000114.2H384 Y388 D392 L393H384-S390 PolarHBondContact NE2-OG 3.29Å; H384-S390 VanDerWaalsContact NE2-OG 3.07Å; Y388-S390 PolarHBondContact O-N 3.41Å; S390-D392 VanDerWaalsContact C-N 3.3Å; S390-D392 PolarHBondContact O-N 2.92Å; S390-L393 WeakPolarHBondContact O-CB 3.32Å; S390-L393 PolarHBondContact O-N 2.9Å
391N92Very high96.3Very high54 Ų5417.7 Ų17.729%0.28910%0.099SC..THydrogen-bonded Turntrans-60.4-35.1-174.8-77.7-41.2000114.2D389 L393D389-N391 VanDerWaalsContact OD1-CB 3.23Å; D389-N391 WeakPolarHBondContact OD1-CB 3.19Å; D389-N391 PolarHBondContact OD1-N 3.43Å; D389-N391 PolarHBondContact OD1-ND2 2.87Å; D389-N391 PolarHBondContact OD2-ND2 2.89Å; N391-L393 PolarHBondContact O-N 3.26Å
392D92.6Very high96.1Very high85 Ų8518.1 Ų18.146%0.45510%0.102SC..THydrogen-bonded Turntrans-84.610.7177.1-66.3-41.8000113.2S390 Y474 S477S390-D392 VanDerWaalsContact C-N 3.3Å; S390-D392 PolarHBondContact O-N 2.92Å; D392-Y474 VanDerWaalsContact O-CE1 3.24Å; D392-Y474 WeakPolarHBondContact O-CE1 3.47Å; D392-Y474 PolarHBondContact O-OH 2.64Å; D392-S477 VanDerWaalsContact O-CA 3.27Å; D392-S477 WeakPolarHBondContact O-CA 3.26Å
393L94.9Very high95.8Very high2 Ų222.2 Ų22.21%0.0113%0.128CC..SBendtrans-104.4146.9173.6-59.2179.5000111.2K75 I180 L383 Y388 S390 N391 L395 L479K75-L393 PolarHBondContact NZ-O 2.97Å; I180-L393 HydrophobicContact CD1-CD1 3.6Å; I180-L393 HydrophobicContact CD1-CD2 4.37Å; I180-L393 HydrophobicContact CG1-CD1 4.22Å; I180-L393 HydrophobicContact CG1-CD2 4.46Å; I180-L393 HydrophobicContact CG2-CD1 4.46Å; L383-L393 HydrophobicContact CD1-CD1 3.71Å; Y388-L393 HydrophobicContact CD1-CD1 4.5Å; Y388-L393 HydrophobicContact CE1-CD1 3.78Å; Y388-L393 HydrophobicContact CE1-CG 4.33Å; S390-L393 WeakPolarHBondContact O-CB 3.32Å; S390-L393 PolarHBondContact O-N 2.9Å; N391-L393 PolarHBondContact O-N 3.26Å; L393-L395 HydrophobicContact CB-CD1 4.2Å; L393-L395 HydrophobicContact CB-CD2 4.14Å; L393-L395 HydrophobicContact CB-CG 3.78Å; L393-L395 HydrophobicContact CD1-CD1 4.32Å; L393-L395 PolarHBondContact O-N 3.29Å; L393-L479 HydrophobicContact CD2-CD1 4.3Å
394M95.3Very high95.3Very high9 Ų927.9 Ų27.94%0.04416%0.159CC..  trans-8658.5178.2-59.6-65.785.400111.2M63 A67 L70 L471 Y474M63-M394 HydrophobicContact CE-CG 3.63Å; M63-M394 HydrophobicContact CE-SD 3.46Å; M63-M394 WeakPolarHBondContact CE-SD 3.45Å; A67-M394 HydrophobicContact CB-CE 4.35Å; A67-M394 HydrophobicContact CB-SD 3.74Å; L70-M394 HydrophobicContact CB-CE 4.48Å; L70-M394 HydrophobicContact CD1-CB 4.39Å; L70-M394 HydrophobicContact CD1-SD 3.97Å; M394-L471 HydrophobicContact CB-CD2 4.04Å; M394-L471 HydrophobicContact CG-CD2 3.98Å; M394-Y474 HydrophobicContact CE-CE1 3.94Å; M394-Y474 HydrophobicContact CE-CE2 3.99Å; M394-Y474 VanDerWaalsContact CE-CZ 3.41Å; M394-Y474 WeakPolarHBondContact CE-OH 3.49Å; M394-Y474 HydrophobicContact CG-CD1 3.63Å; M394-Y474 HydrophobicContact CG-CD2 4.3Å; M394-Y474 HydrophobicContact CG-CE1 3.51Å; M394-Y474 HydrophobicContact CG-CE2 4.22Å; M394-Y474 HydrophobicContact CG-CG 4.03Å; M394-Y474 HydrophobicContact SD-CD2 4.26Å; M394-Y474 HydrophobicContact SD-CE1 4.08Å; M394-Y474 HydrophobicContact SD-CE2 3.84Å
395L95.6Very high95Very high6 Ų628.8 Ų28.83%0.03116%0.162CC..  trans-88.6137.3175.3-49.3-178.6000109.3L379 P380 L383 L393L379-L395 HydrophobicContact CD2-CD2 3.86Å; L379-L395 HydrophobicContact CG-CD2 4.45Å; P380-L395 HydrophobicContact CB-CD1 3.98Å; L383-L395 HydrophobicContact CD1-CD1 3.79Å; L393-L395 HydrophobicContact CB-CD1 4.2Å; L393-L395 HydrophobicContact CB-CD2 4.14Å; L393-L395 HydrophobicContact CB-CG 3.78Å; L393-L395 HydrophobicContact CD1-CD1 4.32Å; L393-L395 PolarHBondContact O-N 3.29Å
396L96.1Very high94.8Very high2 Ų233.4 Ų33.41%0.0118%0.184CC..  trans-98.8-19.4176.2-63.7178.2000113.3L70 S155 L156 F157 I376 Q458 I461L70-L396 HydrophobicContact CD1-CD2 3.91Å; L70-L396 HydrophobicContact CD2-CD2 3.42Å; L70-L396 VanDerWaalsContact CD2-CD2 3.42Å; L70-L396 HydrophobicContact CG-CD2 4.31Å; S155-L396 WeakPolarHBondContact O-CB 3.35Å; S155-L396 PolarHBondContact O-N 3.23Å; S155-L396 VanDerWaalsContact O-N 3.11Å; S155-L396 PolarHBondContact OG-N 2.76Å; L156-L396 HydrophobicContact CD2-CD1 3.65Å; L156-L396 HydrophobicContact CD2-CG 3.82Å; F157-L396 HydrophobicContact CD2-CD1 4.35Å; I376-L396 HydrophobicContact CD1-CB 3.67Å; I376-L396 HydrophobicContact CD1-CD1 4.43Å; I376-L396 HydrophobicContact CG1-CB 4.4Å; L396-Q458 HydrophobicContact CB-CG 4.31Å; L396-Q458 HydrophobicContact CD1-CG 4.39Å; L396-Q458 PolarHBondContact O-NE2 2.8Å; L396-I461 HydrophobicContact CD2-CB 4.38Å; L396-I461 HydrophobicContact CD2-CG2 3.81Å
397G96.4Very high94.7Very high4 Ų436.8 Ų36.84%0.04120%0.199CC..SBendtrans-83.5169.6171.600000112S155 D377S155-G397 WeakPolarHBondContact OG-CA 3.42Å; S155-G397 PolarHBondContact OG-N 3.04Å; D377-G397 WeakPolarHBondContact OD1-CA 3.35Å
398H95.4Very high94.7Very high30 Ų3036.5 Ų36.514%0.13919%0.19CC..  trans-128.9151.1-179.7-59.884000110.4P74 D377 L400P74-H398 PolarHBondContact O-CD2 3.43Å; D377-H398 WeakPolarHBondContact CB-O 3.43Å; D377-H398 PolarHBondContact OD1-N 3.49Å; H398-L400 PolarHBondContact O-N 2.66Å; H398-L400 VanDerWaalsContact O-N 3.14Å
399D97.2Very high94.7Very high4 Ų434.7 Ų34.72%0.02118%0.183CC..  trans-55.4116.3177.4174.56.8000111.9H384 L401 S402 R405H384-D399 IonicContact CE1-OD2 3.25Å; H384-D399 IonicContact CG-OD2 3.82Å; H384-D399 VanDerWaalsContact ND1-CB 3.31Å; H384-D399 WeakPolarHBondContact ND1-CB 3.49Å; H384-D399 IonicContact ND1-OD2 2.77Å; H384-D399 PolarHBondContact ND1-OD2 2.77Å; D399-L401 PolarHBondContact O-N 3.11Å; D399-L401 WeakPolarHBondContact OD1-CB 3.5Å; D399-L401 PolarHBondContact OD1-N 2.89Å; D399-S402 WeakPolarHBondContact O-CB 3.2Å; D399-S402 PolarHBondContact O-N 2.91Å; D399-R405 WeakPolarHBondContact O-CD 3.35Å
400L97.3Very high94.9Very high2 Ų231 Ų311%0.0116%0.164CC..THydrogen-bonded Turntrans-61.6-21.6-179.2-69.7172.2000113.1F133 V136 L356 T371 D377 T381 H398F133-L400 HydrophobicContact CD1-CB 4.5Å; F133-L400 HydrophobicContact CD1-CD1 4.38Å; F133-L400 HydrophobicContact CE1-CB 3.63Å; F133-L400 HydrophobicContact CE1-CD1 4.11Å; F133-L400 HydrophobicContact CE1-CG 4.39Å; F133-L400 HydrophobicContact CE2-CD1 4.37Å; F133-L400 HydrophobicContact CZ-CB 3.83Å; F133-L400 HydrophobicContact CZ-CD1 4.09Å; V136-L400 HydrophobicContact CG2-CD1 4.39Å; L356-L400 HydrophobicContact CD2-CD1 3.42Å; L356-L400 VanDerWaalsContact CD2-CD1 3.42Å; T371-L400 HydrophobicContact CG2-CD2 4.36Å; D377-L400 HydrophobicContact CB-CD1 4.27Å; D377-L400 HydrophobicContact CB-CD2 3.56Å; D377-L400 HydrophobicContact CB-CG 3.66Å; T381-L400 HydrophobicContact CG2-CB 4.33Å; T381-L400 PolarHBondContact OG1-N 3.43Å; H398-L400 PolarHBondContact O-N 2.66Å; H398-L400 VanDerWaalsContact O-N 3.14Å
401L96.4Very high95Very high13 Ų1331.7 Ų31.77%0.06817%0.166CC..THydrogen-bonded Turntrans-91.6-2.8179-58.7175.5000112N78 T81 F131 F133 T381 L385 D399N78-L401 WeakPolarHBondContact CB-O 3.44Å; N78-L401 PolarHBondContact ND2-O 3.35Å; T81-L401 HydrophobicContact CG2-CB 4.49Å; T81-L401 HydrophobicContact CG2-CD1 4.11Å; F131-L401 HydrophobicContact CB-CD2 4.23Å; F131-L401 HydrophobicContact CD1-CD2 3.98Å; F131-L401 HydrophobicContact CD2-CD1 4.2Å; F131-L401 HydrophobicContact CE2-CD1 4.37Å; F131-L401 HydrophobicContact CG-CD1 4.29Å; F131-L401 HydrophobicContact CG-CD2 4.1Å; F133-L401 HydrophobicContact CE1-CD2 4.3Å; F133-L401 HydrophobicContact CZ-CD2 3.8Å; F133-L401 HydrophobicContact CZ-CG 4.48Å; T381-L401 HydrophobicContact CG2-CD1 4.13Å; T381-L401 HydrophobicContact CG2-CG 4.08Å; L385-L401 HydrophobicContact CD1-CD1 4.21Å; L385-L401 HydrophobicContact CD2-CD1 3.76Å; L385-L401 HydrophobicContact CG-CD1 4.17Å; D399-L401 PolarHBondContact O-N 3.11Å; D399-L401 WeakPolarHBondContact OD1-CB 3.5Å; D399-L401 PolarHBondContact OD1-N 2.89Å
402S95.5Very high95.2Very high9 Ų930.1 Ų30.16%0.06316%0.156CC..  trans-70.5126.9177.2-171.90000111.9E76 D399 N404E76-S402 VanDerWaalsContact O-CB 3.26Å; E76-S402 WeakPolarHBondContact O-CB 3.38Å; E76-S402 PolarHBondContact O-OG 3.26Å; D399-S402 WeakPolarHBondContact O-CB 3.2Å; D399-S402 PolarHBondContact O-N 2.91Å; S402-N404 VanDerWaalsContact C-N 3.34Å; S402-N404 PolarHBondContact O-N 3.36Å
403P91.5Very high95Very high86 Ų8631 Ų3156%0.55816%0.161SC*.THydrogen-bonded Turntrans-68.1-27.5-170.926-34.9000114.4
404N87.7Confident94.9Very high119 Ų11931.1 Ų31.164%0.63616%0.162SC*.THydrogen-bonded Turntrans-115.724.7-176.9-52.1-57.9000112.9E76 S402E76-N404 PolarHBondContact OE1-ND2 2.99Å; E76-N404 WeakPolarHBondContact OE2-CB 3.44Å; E76-N404 PolarHBondContact OE2-ND2 2.85Å; S402-N404 VanDerWaalsContact C-N 3.34Å; S402-N404 PolarHBondContact O-N 3.36Å
405R92.4Very high94.9Very high24 Ų2431.1 Ų31.19%0.09116%0.162CC..  trans-63.9148.4177.168.4177.1-71.7-77.9-1.2111.7T371 Y372 D377 D399 Q407T371-R405 PolarHBondContact OG1-NH1 3.39Å; T371-R405 VanDerWaalsContact OG1-NH1 3.14Å; Y372-R405 PolarHBondContact O-NH1 3.34Å; Y372-R405 PolarHBondContact O-NH2 3.28Å; D377-R405 IonicContact OD1-NH2 3.39Å; D377-R405 IonicContact OD2-NH2 3.04Å; D377-R405 PolarHBondContact OD2-NH2 3.49Å; D399-R405 WeakPolarHBondContact O-CD 3.35Å; R405-Q407 PolarHBondContact O-N 3.31Å
406E92.4Very high95Very high99 Ų9930.8 Ų30.846%0.46316%0.161SC..  trans-67.9120.4167.5-172.2173.3-145.800109L408 K454E406-L408 VanDerWaalsContact C-N 3.27Å; E406-L408 HydrophobicContact CG-CB 4.02Å; E406-L408 PolarHBondContact O-N 3.15Å; E406-L408 VanDerWaalsContact O-N 3.07Å; E406-K454 IonicContact OE1-NZ 2.85Å; E406-K454 PolarHBondContact OE1-NZ 3.25Å
407Q96Very high95.1Very high76 Ų7630.7 Ų30.736%0.35516%0.16SC..  trans-85.970.6178.5-64.1-163.176.200110T371 R405 T418 G419T371-Q407 PolarHBondContact OG1-OE1 2.93Å; R405-Q407 PolarHBondContact O-N 3.31Å; Q407-T418 CarbonylContact O-C 3.57Å; Q407-T418 WeakPolarHBondContact O-CA 3.39Å; Q407-G419 PolarHBondContact O-N 3.05Å
408L97.3Very high95.2Very high23 Ų2331.2 Ų31.212%0.1216%0.162CC..EExtended strand (participates in β ladder)trans-124.2124.4179.6175.461.2000110.3E406 F416 T418 V451 K454 V455E406-L408 VanDerWaalsContact C-N 3.27Å; E406-L408 HydrophobicContact CG-CB 4.02Å; E406-L408 PolarHBondContact O-N 3.15Å; E406-L408 VanDerWaalsContact O-N 3.07Å; L408-F416 HydrophobicContact CD1-CB 4.14Å; L408-F416 HydrophobicContact CD1-CD2 3.86Å; L408-F416 HydrophobicContact CD1-CG 4.26Å; L408-T418 HydrophobicContact CD1-CG2 4.24Å; L408-V451 HydrophobicContact CD1-CG1 3.52Å; L408-V451 HydrophobicContact CD2-CG1 4.17Å; L408-V451 HydrophobicContact CG-CG1 4.5Å; L408-K454 HydrophobicContact CD2-CB 4.38Å; L408-V455 HydrophobicContact CD1-CG2 3.85Å; L408-V455 HydrophobicContact CD2-CG2 4.06Å; L408-V455 HydrophobicContact CG-CG2 4.27Å
409V98.6Very high95.2Very high0 Ų030.8 Ų30.80%017%0.166CC..EExtended strand (participates in β ladder)trans-117.3106.3178.5-169.80000109.1Y137 Q139 G373 F411 F416 V417Y137-V409 HydrophobicContact CD2-CG1 4.26Å; Y137-V409 HydrophobicContact CD2-CG2 4.36Å; Y137-V409 HydrophobicContact CG-CG1 4.41Å; Q139-V409 HydrophobicContact CG-CG1 4.37Å; G373-V409 VanDerWaalsContact C-CG2 3.45Å; G373-V409 WeakPolarHBondContact O-CG2 3.41Å; V409-F411 HydrophobicContact CG1-CE1 4.41Å; V409-F416 CarbonylContact O-C 3.15Å; V409-F416 WeakPolarHBondContact O-CA 3.35Å; V409-F416 VanDerWaalsContact O-CB 3.26Å; V409-F416 WeakPolarHBondContact O-CB 3.45Å; V409-V417 HydrophobicContact CB-CB 4.32Å; V409-V417 PolarHBondContact N-O 2.95Å; V409-V417 PolarHBondContact O-N 3.39Å
410A98.2Very high95.2Very high0 Ų035.9 Ų35.90%019%0.193CC..EExtended strand (participates in β ladder)trans-82.9129.8175.300000111.4Q139 F157 V455Q139-A410 WeakPolarHBondContact CG-O 3.27Å; Q139-A410 PolarHBondContact NE2-O 2.82Å; F157-A410 HydrophobicContact CE1-CB 4.42Å; F157-A410 HydrophobicContact CZ-CB 3.93Å; A410-V455 HydrophobicContact CB-CB 4.41Å; A410-V455 HydrophobicContact CB-CG1 3.74Å; A410-V455 HydrophobicContact CB-CG2 4.23Å
411F97.2Very high95.2Very high19 Ų1936 Ų368%0.08319%0.194CC..  trans-90.4154.8167.2-62-47.2000111.3Y137 I349 V409 N413 G414 D415 V417Y137-F411 HydrophobicContact CD1-CE1 4.03Å; Y137-F411 AromaticContact CD1-CZ 3.68Å; Y137-F411 HydrophobicContact CD1-CZ 3.68Å; Y137-F411 HydrophobicContact CE1-CZ 4.28Å; Y137-F411 HydrophobicContact CG-CE1 4.09Å; Y137-F411 HydrophobicContact CG-CZ 4.09Å; I349-F411 HydrophobicContact CG2-CE2 4.04Å; I349-F411 HydrophobicContact CG2-CZ 4.4Å; V409-F411 HydrophobicContact CG1-CE1 4.41Å; F411-N413 WeakPolarHBondContact CB-OD1 3.46Å; F411-N413 PolarHBondContact O-N 3.06Å; F411-G414 WeakPolarHBondContact O-CA 3.26Å; F411-G414 PolarHBondContact O-N 3.14Å; F411-D415 HydrophobicContact CB-CB 4.29Å; F411-D415 WeakPolarHBondContact CB-O 3.37Å; F411-D415 HydrophobicContact CD2-CB 3.76Å; F411-D415 PolarHBondContact N-O 3.01Å; F411-V417 HydrophobicContact CE2-CG2 3.67Å; F411-V417 HydrophobicContact CZ-CG2 3.69Å
412R95Very high95.3Very high20 Ų2035.4 Ų35.48%0.07519%0.191CC..THydrogen-bonded Turntrans-66.7-22-173.1-167.863.6-156.6144.66.3114G158 N160 G414 L459 D463G158-R412 PolarHBondContact O-NE 3.2Å; N160-R412 VanDerWaalsContact CB-NH2 3.35Å; R412-G414 VanDerWaalsContact C-N 3.26Å; R412-L459 VanDerWaalsContact NH1-CD2 3.34Å; R412-D463 IonicContact CZ-OD1 2.79Å; R412-D463 IonicContact CZ-OD2 3.38Å; R412-D463 IonicContact NH1-OD1 2.72Å; R412-D463 IonicContact NH1-OD2 3.91Å; R412-D463 PolarHBondContact NH1-OD2 2.97Å; R412-D463 IonicContact NH2-OD1 2.64Å; R412-D463 PolarHBondContact NH2-OD1 2.89Å; R412-D463 IonicContact NH2-OD2 2.72Å; R412-D463 PolarHBondContact NH2-OD2 3.42Å
413N88.8Confident95.4Very high105 Ų10536.5 Ų36.556%0.56119%0.194SC*.THydrogen-bonded Turntrans-82.3-1.7172.769-12.3000113.3F411 D415F411-N413 WeakPolarHBondContact CB-OD1 3.46Å; F411-N413 PolarHBondContact O-N 3.06Å; N413-D415 PolarHBondContact ND2-OD2 3.23Å; N413-D415 VanDerWaalsContact OD1-CB 3.32Å; N413-D415 WeakPolarHBondContact OD1-CB 3.43Å; N413-D415 PolarHBondContact OD1-N 3.26Å
414G91.9Very high95.6Very high3 Ų334 Ų343%0.03118%0.175CC..SBendtrans86.21.8-177.800000115.1F411 R412 K452F411-G414 WeakPolarHBondContact O-CA 3.26Å; F411-G414 PolarHBondContact O-N 3.14Å; R412-G414 VanDerWaalsContact C-N 3.26Å; G414-K452 VanDerWaalsContact C-NZ 3.33Å; G414-K452 WeakPolarHBondContact O-CD 3.31Å; G414-K452 WeakPolarHBondContact O-CE 3.24Å; G414-K452 PolarHBondContact O-NZ 3.35Å
415D96.2Very high95.7Very high9 Ų936 Ų365%0.04818%0.177CC..  trans-67165.4161.7-68.4-24.5000109.5F411 N413 Y423 H424 K425F411-D415 HydrophobicContact CB-CB 4.29Å; F411-D415 WeakPolarHBondContact CB-O 3.37Å; F411-D415 HydrophobicContact CD2-CB 3.76Å; F411-D415 PolarHBondContact N-O 3.01Å; N413-D415 PolarHBondContact ND2-OD2 3.23Å; N413-D415 VanDerWaalsContact OD1-CB 3.32Å; N413-D415 WeakPolarHBondContact OD1-CB 3.43Å; N413-D415 PolarHBondContact OD1-N 3.26Å; D415-Y423 WeakPolarHBondContact CB-O 3.47Å; D415-H424 WeakPolarHBondContact OD1-CA 3.44Å; D415-H424 IonicContact OD2-CE1 3.67Å; D415-H424 PolarHBondContact OD2-CE1 2.67Å; D415-H424 IonicContact OD2-CG 2.69Å; D415-H424 IonicContact OD2-ND1 3.53Å; D415-H424 PolarHBondContact OD2-ND1 2.75Å; D415-K425 PolarHBondContact OD1-N 3.18Å
416F98.3Very high95.6Very high0 Ų036 Ų360%019%0.185CC..EExtended strand (participates in β ladder)trans-158.6164.1-179.663.2-90.3000113.5L408 V409 T418 Y421 Y423 A448 V451 K452 V455L408-F416 HydrophobicContact CD1-CB 4.14Å; L408-F416 HydrophobicContact CD1-CD2 3.86Å; L408-F416 HydrophobicContact CD1-CG 4.26Å; V409-F416 CarbonylContact O-C 3.15Å; V409-F416 WeakPolarHBondContact O-CA 3.35Å; V409-F416 VanDerWaalsContact O-CB 3.26Å; V409-F416 WeakPolarHBondContact O-CB 3.45Å; F416-T418 HydrophobicContact CD2-CG2 3.9Å; F416-T418 HydrophobicContact CE2-CG2 3.84Å; F416-Y421 HydrophobicContact CE2-CD2 4.38Å; F416-Y421 AromaticContact CE2-CE2 3.69Å; F416-Y421 HydrophobicContact CE2-CE2 3.69Å; F416-Y421 HydrophobicContact CZ-CE2 4.21Å; F416-Y423 AromaticContact CD1-CD1 3.91Å; F416-Y423 HydrophobicContact CD1-CD1 3.91Å; F416-Y423 AromaticContact CD1-CG 3.93Å; F416-Y423 HydrophobicContact CD1-CG 3.93Å; F416-Y423 AromaticContact CE1-CD1 3.65Å; F416-Y423 HydrophobicContact CE1-CD1 3.65Å; F416-Y423 AromaticContact CE1-CD2 3.91Å; F416-Y423 HydrophobicContact CE1-CD2 3.91Å; F416-Y423 HydrophobicContact CE1-CE1 4.42Å; F416-Y423 AromaticContact CE1-CG 3.34Å; F416-Y423 HydrophobicContact CE1-CG 3.34Å; F416-Y423 HydrophobicContact CZ-CD1 4.49Å; F416-Y423 HydrophobicContact CZ-CD2 4.08Å; F416-Y423 AromaticContact CZ-CG 3.75Å; F416-Y423 HydrophobicContact CZ-CG 3.75Å; F416-Y423 PolarHBondContact N-O 3.49Å; F416-Y423 PolarHBondContact O-N 3.41Å; F416-A448 HydrophobicContact CZ-CB 4.18Å; F416-A448 WeakPolarHBondContact CZ-O 3.33Å; F416-V451 HydrophobicContact CD2-CG1 3.69Å; F416-V451 HydrophobicContact CE1-CG1 4.42Å; F416-V451 HydrophobicContact CE2-CB 3.85Å; F416-V451 HydrophobicContact CE2-CG1 3.31Å; F416-V451 HydrophobicContact CG-CG1 4.39Å; F416-V451 HydrophobicContact CZ-CB 3.87Å; F416-V451 HydrophobicContact CZ-CG1 3.73Å; F416-K452 HydrophobicContact CD1-CD 4.34Å; F416-K452 HydrophobicContact CE1-CB 3.88Å; F416-K452 HydrophobicContact CE1-CD 4.12Å; F416-V455 HydrophobicContact CB-CG1 4.46Å; F416-V455 HydrophobicContact CB-CG2 3.65Å; F416-V455 HydrophobicContact CD1-CB 4.46Å; F416-V455 HydrophobicContact CD1-CG2 3.86Å; F416-V455 HydrophobicContact CD2-CG2 4.5Å; F416-V455 HydrophobicContact CG-CG2 3.76Å
417V98.5Very high95.8Very high0 Ų034.2 Ų34.20%018%0.179CC..EExtended strand (participates in β ladder)trans-125.9136.2173.9-175.90000109.2Y137 I349 Y372 V409 F411Y137-V417 HydrophobicContact CE1-CG2 4.17Å; Y137-V417 HydrophobicContact CE2-CB 4.47Å; Y137-V417 HydrophobicContact CE2-CG1 4.21Å; I349-V417 HydrophobicContact CG2-CG2 3.64Å; Y372-V417 HydrophobicContact CD1-CG1 3.44Å; Y372-V417 VanDerWaalsContact CD1-CG1 3.44Å; Y372-V417 HydrophobicContact CE1-CG1 3.65Å; V409-V417 HydrophobicContact CB-CB 4.32Å; V409-V417 PolarHBondContact N-O 2.95Å; V409-V417 PolarHBondContact O-N 3.39Å; F411-V417 HydrophobicContact CE2-CG2 3.67Å; F411-V417 HydrophobicContact CZ-CG2 3.69Å
418T97.9Very high95.9Very high14 Ų1430.6 Ų30.69%0.08616%0.162CC..EExtended strand (participates in β ladder)trans-108.8-178170.876.50000110.8Y372 Q407 L408 F416 D420 Y421 N431 V451Y372-T418 WeakPolarHBondContact CD1-O 3.43Å; Q407-T418 CarbonylContact O-C 3.57Å; Q407-T418 WeakPolarHBondContact O-CA 3.39Å; L408-T418 HydrophobicContact CD1-CG2 4.24Å; F416-T418 HydrophobicContact CD2-CG2 3.9Å; F416-T418 HydrophobicContact CE2-CG2 3.84Å; T418-D420 PolarHBondContact O-N 3.12Å; T418-D420 PolarHBondContact OG1-N 2.95Å; T418-Y421 HydrophobicContact CG2-CD2 4.23Å; T418-Y421 HydrophobicContact CG2-CE1 4.22Å; T418-Y421 HydrophobicContact CG2-CE2 3.83Å; T418-Y421 PolarHBondContact N-O 3.43Å; T418-Y421 WeakPolarHBondContact OG1-CD1 3.35Å; T418-Y421 PolarHBondContact OG1-N 2.82Å; T418-Y421 PolarHBondContact OG1-O 3.09Å; T418-Y421 VanDerWaalsContact OG1-O 3.08Å; T418-N431 PolarHBondContact O-ND2 2.89Å; T418-V451 HydrophobicContact CG2-CG1 4.24Å
419G95.9Very high95.9Very high21 Ų2130.4 Ų30.422%0.21616%0.16CC..SBendtrans-60.3-31.4169.500000113.7Q407Q407-G419 PolarHBondContact O-N 3.05Å
420D96.3Very high95.9Very high111 Ų11132 Ų3259%0.59417%0.168SC*.SBendtrans-109.7-33.7-168.1-59.7-47.7000113.3T418 N431T418-D420 PolarHBondContact O-N 3.12Å; T418-D420 PolarHBondContact OG1-N 2.95Å; D420-N431 WeakPolarHBondContact O-CB 3.46Å; D420-N431 PolarHBondContact O-N 3.43Å
421Y97.7Very high95.8Very high5 Ų532.6 Ų32.62%0.0217%0.171CC..EExtended strand (participates in β ladder)trans-144.2162.4-175.560.7-92.2000113.5F416 T418 V428 Y429 N431 I444 E447 A448 V451F416-Y421 HydrophobicContact CE2-CD2 4.38Å; F416-Y421 AromaticContact CE2-CE2 3.69Å; F416-Y421 HydrophobicContact CE2-CE2 3.69Å; F416-Y421 HydrophobicContact CZ-CE2 4.21Å; T418-Y421 HydrophobicContact CG2-CD2 4.23Å; T418-Y421 HydrophobicContact CG2-CE1 4.22Å; T418-Y421 HydrophobicContact CG2-CE2 3.83Å; T418-Y421 PolarHBondContact N-O 3.43Å; T418-Y421 WeakPolarHBondContact OG1-CD1 3.35Å; T418-Y421 PolarHBondContact OG1-N 2.82Å; T418-Y421 PolarHBondContact OG1-O 3.09Å; T418-Y421 VanDerWaalsContact OG1-O 3.08Å; Y421-V428 HydrophobicContact CD2-CG1 3.61Å; Y421-V428 HydrophobicContact CE2-CG1 4.41Å; Y421-V428 HydrophobicContact CG-CG1 3.91Å; Y421-Y429 CarbonylContact C-O 3.46Å; Y421-Y429 WeakPolarHBondContact CA-O 3.41Å; Y421-Y429 VanDerWaalsContact CB-O 3.27Å; Y421-Y429 WeakPolarHBondContact CB-O 3.12Å; Y421-N431 PolarHBondContact N-ND2 3.17Å; Y421-N431 PolarHBondContact O-ND2 3.35Å; Y421-I444 HydrophobicContact CD1-CG2 3.88Å; Y421-I444 HydrophobicContact CE1-CG2 4.12Å; Y421-I444 HydrophobicContact CG-CG2 4.11Å; Y421-E447 WeakPolarHBondContact CE1-OE1 3.43Å; Y421-E447 PolarHBondContact OH-OE1 3.14Å; Y421-A448 HydrophobicContact CD2-CB 4.5Å; Y421-A448 HydrophobicContact CE2-CB 3.71Å; Y421-V451 VanDerWaalsContact OH-CG2 3.31Å; Y421-V451 WeakPolarHBondContact OH-CG2 3.05Å
422S98.3Very high95.7Very high0 Ų039.9 Ų39.90%021%0.206CC..EExtended strand (participates in β ladder)trans-117.1139173.7-67.70000110.3V428 Y429 N431S422-V428 CarbonylContact O-C 3.56Å; S422-V428 WeakPolarHBondContact O-CA 3.5Å; S422-Y429 PolarHBondContact N-O 3.33Å; S422-Y429 PolarHBondContact O-N 2.91Å; S422-N431 WeakPolarHBondContact CB-OD1 3.39Å; S422-N431 PolarHBondContact N-OD1 3.27Å; S422-N431 VanDerWaalsContact N-OD1 3.14Å; S422-N431 PolarHBondContact OG-OD1 3.09Å
423Y97.6Very high95.7Very high33 Ų3343.7 Ų43.713%0.12923%0.231CC..EExtended strand (participates in β ladder)trans-109.5128.2175.2177.3-82.6000110.3D415 F416 G426 D427 V428 A448 K452D415-Y423 WeakPolarHBondContact CB-O 3.47Å; F416-Y423 AromaticContact CD1-CD1 3.91Å; F416-Y423 HydrophobicContact CD1-CD1 3.91Å; F416-Y423 AromaticContact CD1-CG 3.93Å; F416-Y423 HydrophobicContact CD1-CG 3.93Å; F416-Y423 AromaticContact CE1-CD1 3.65Å; F416-Y423 HydrophobicContact CE1-CD1 3.65Å; F416-Y423 AromaticContact CE1-CD2 3.91Å; F416-Y423 HydrophobicContact CE1-CD2 3.91Å; F416-Y423 HydrophobicContact CE1-CE1 4.42Å; F416-Y423 AromaticContact CE1-CG 3.34Å; F416-Y423 HydrophobicContact CE1-CG 3.34Å; F416-Y423 HydrophobicContact CZ-CD1 4.49Å; F416-Y423 HydrophobicContact CZ-CD2 4.08Å; F416-Y423 AromaticContact CZ-CG 3.75Å; F416-Y423 HydrophobicContact CZ-CG 3.75Å; F416-Y423 PolarHBondContact N-O 3.49Å; F416-Y423 PolarHBondContact O-N 3.41Å; Y423-G426 WeakPolarHBondContact OH-CA 3.34Å; Y423-G426 PolarHBondContact OH-N 3.01Å; Y423-D427 CarbonylContact C-O 3.56Å; Y423-D427 WeakPolarHBondContact CA-O 3.37Å; Y423-V428 HydrophobicContact CD2-CG2 4.05Å; Y423-A448 HydrophobicContact CD2-CB 4.21Å; Y423-K452 HydrophobicContact CE1-CD 4.15Å
424H95.2Very high96Very high34 Ų3439.6 Ų39.616%0.15721%0.214CC..EExtended strand (participates in β ladder)trans-136.2112.7173.5-173.979000110.9T345 I349 D415 G426 D427 Y429T345-H424 HydrophobicContact CG2-CB 3.99Å; T345-H424 WeakPolarHBondContact CG2-CD2 3.44Å; I349-H424 HydrophobicContact CD1-CB 3.71Å; I349-H424 HydrophobicContact CG1-CB 4.31Å; D415-H424 WeakPolarHBondContact OD1-CA 3.44Å; D415-H424 IonicContact OD2-CE1 3.67Å; D415-H424 PolarHBondContact OD2-CE1 2.67Å; D415-H424 IonicContact OD2-CG 2.69Å; D415-H424 IonicContact OD2-ND1 3.53Å; D415-H424 PolarHBondContact OD2-ND1 2.75Å; H424-G426 PolarHBondContact O-N 2.9Å; H424-D427 PolarHBondContact N-O 2.74Å; H424-D427 PolarHBondContact O-N 3.28Å; H424-Y429 HydrophobicContact CB-CE2 4.16Å
425K89.9Confident96.2Very high159 Ų15941.7 Ų41.769%0.69123%0.231SC*.THydrogen-bonded Turntrans49.334.4173.3-60.6178.9-175.6157.10115.5D415D415-K425 PolarHBondContact OD1-N 3.18Å
426G90.6Very high96.3Very high25 Ų2545 Ų4526%0.25825%0.248SC..THydrogen-bonded Turntrans103-12.817900000114.6Y423 H424 N438Y423-G426 WeakPolarHBondContact OH-CA 3.34Å; Y423-G426 PolarHBondContact OH-N 3.01Å; H424-G426 PolarHBondContact O-N 2.9Å; G426-N438 PolarHBondContact O-ND2 3.3Å
427D96.2Very high96.2Very high61 Ų6145.2 Ų45.233%0.32625%0.25SC..EExtended strand (participates in β ladder)trans-95.4141.4174.9-68.5-28.9000111.3Y423 H424 Y429 L436 N438Y423-D427 CarbonylContact C-O 3.56Å; Y423-D427 WeakPolarHBondContact CA-O 3.37Å; H424-D427 PolarHBondContact N-O 2.74Å; H424-D427 PolarHBondContact O-N 3.28Å; D427-Y429 HydrophobicContact CB-CE2 3.58Å; D427-Y429 WeakPolarHBondContact CB-OH 3.42Å; D427-L436 HydrophobicContact CB-CD1 3.7Å; D427-N438 WeakPolarHBondContact CA-OD1 3.34Å; D427-N438 PolarHBondContact OD1-ND2 2.92Å
428V98.1Very high95.9Very high0 Ų046.5 Ų46.50%026%0.256CS..EExtended strand (participates in β ladder)trans-116.4128.5179.4-175.30000109.2Y421 S422 Y423 L437 N438 I444 L445 A448Y421-V428 HydrophobicContact CD2-CG1 3.61Å; Y421-V428 HydrophobicContact CE2-CG1 4.41Å; Y421-V428 HydrophobicContact CG-CG1 3.91Å; S422-V428 CarbonylContact O-C 3.56Å; S422-V428 WeakPolarHBondContact O-CA 3.5Å; Y423-V428 HydrophobicContact CD2-CG2 4.05Å; V428-L437 HydrophobicContact CB-CB 4.44Å; V428-L437 HydrophobicContact CG1-CB 4.42Å; V428-L437 HydrophobicContact CG1-CD1 4.31Å; V428-L437 PolarHBondContact O-N 2.88Å; V428-N438 PolarHBondContact N-OD1 3.09Å; V428-I444 HydrophobicContact CG1-CG2 3.89Å; V428-L445 HydrophobicContact CG2-CD1 3.74Å; V428-A448 HydrophobicContact CG2-CB 3.65Å
429Y98.3Very high95.6Very high20 Ų2054.8 Ų54.88%0.07829%0.292CS..EExtended strand (participates in β ladder)trans-120.2135.9-177.5-57.4-90000110.3T345 F346 I349 Y421 S422 H424 D427 A435 L436T345-Y429 WeakPolarHBondContact CB-OH 3.32Å; T345-Y429 HydrophobicContact CG2-CE2 3.9Å; T345-Y429 WeakPolarHBondContact CG2-OH 3.42Å; F346-Y429 HydrophobicContact CB-CD1 4.18Å; F346-Y429 HydrophobicContact CB-CG 4.3Å; F346-Y429 HydrophobicContact CD2-CG 4.35Å; I349-Y429 HydrophobicContact CD1-CD2 4.13Å; I349-Y429 HydrophobicContact CD1-CE2 4.5Å; Y421-Y429 CarbonylContact C-O 3.46Å; Y421-Y429 WeakPolarHBondContact CA-O 3.41Å; Y421-Y429 VanDerWaalsContact CB-O 3.27Å; Y421-Y429 WeakPolarHBondContact CB-O 3.12Å; S422-Y429 PolarHBondContact N-O 3.33Å; S422-Y429 PolarHBondContact O-N 2.91Å; H424-Y429 HydrophobicContact CB-CE2 4.16Å; D427-Y429 HydrophobicContact CB-CE2 3.58Å; D427-Y429 WeakPolarHBondContact CB-OH 3.42Å; Y429-A435 WeakPolarHBondContact CA-O 3.24Å; Y429-L436 HydrophobicContact CD1-CB 4.38Å; Y429-L436 HydrophobicContact CD1-CD1 4.31Å; Y429-L436 HydrophobicContact CE1-CB 4.23Å; Y429-L436 HydrophobicContact CE1-CD1 3.84Å
430D97.5Very high95.5Very high33 Ų3357.6 Ų57.618%0.17631%0.308CS..EExtended strand (participates in β ladder)trans-67.7128.4172.7-179.8-84.7000110.6Q432 T433 G434 A435 L437D430-Q432 VanDerWaalsContact C-N 3.29Å; D430-Q432 PolarHBondContact O-N 2.78Å; D430-Q432 WeakPolarHBondContact OD1-CA 3.32Å; D430-Q432 WeakPolarHBondContact OD1-CB 3.35Å; D430-Q432 PolarHBondContact OD1-N 3.12Å; D430-T433 VanDerWaalsContact CB-OG1 3.31Å; D430-T433 WeakPolarHBondContact CB-OG1 3.3Å; D430-T433 VanDerWaalsContact CG-OG1 3.24Å; D430-T433 WeakPolarHBondContact OD1-CB 3.47Å; D430-T433 PolarHBondContact OD1-N 2.83Å; D430-T433 PolarHBondContact OD1-OG1 3.4Å; D430-G434 WeakPolarHBondContact O-CA 3.43Å; D430-G434 PolarHBondContact O-N 3.28Å; D430-A435 PolarHBondContact N-O 2.9Å; D430-L437 HydrophobicContact CB-CD1 3.94Å; D430-L437 HydrophobicContact CB-CD2 4.05Å; D430-L437 HydrophobicContact CB-CG 4.11Å
431N96.5Very high95.3Very high13 Ų1355.4 Ų55.47%0.0729%0.294CS..THydrogen-bonded Turntrans-73-19.9-175.4-76.1-15.3000114T418 D420 Y421 S422T418-N431 PolarHBondContact O-ND2 2.89Å; D420-N431 WeakPolarHBondContact O-CB 3.46Å; D420-N431 PolarHBondContact O-N 3.43Å; Y421-N431 PolarHBondContact N-ND2 3.17Å; Y421-N431 PolarHBondContact O-ND2 3.35Å; S422-N431 WeakPolarHBondContact CB-OD1 3.39Å; S422-N431 PolarHBondContact N-OD1 3.27Å; S422-N431 VanDerWaalsContact N-OD1 3.14Å; S422-N431 PolarHBondContact OG-OD1 3.09Å
432Q94.6Very high95Very high171 Ų17158.6 Ų58.680%0.79932%0.315SS*.THydrogen-bonded Turntrans-86.3-36-179.4-59.5-176.75.900111.6D430D430-Q432 VanDerWaalsContact C-N 3.29Å; D430-Q432 PolarHBondContact O-N 2.78Å; D430-Q432 WeakPolarHBondContact OD1-CA 3.32Å; D430-Q432 WeakPolarHBondContact OD1-CB 3.35Å; D430-Q432 PolarHBondContact OD1-N 3.12Å
433T95.4Very high94.9Very high100 Ų10064 Ų6461%0.61334%0.341SS*.THydrogen-bonded Turntrans-113.7-19.5-170.563.10000113.8D430 A435D430-T433 VanDerWaalsContact CB-OG1 3.31Å; D430-T433 WeakPolarHBondContact CB-OG1 3.3Å; D430-T433 VanDerWaalsContact CG-OG1 3.24Å; D430-T433 WeakPolarHBondContact OD1-CB 3.47Å; D430-T433 PolarHBondContact OD1-N 2.83Å; D430-T433 PolarHBondContact OD1-OG1 3.4Å; T433-A435 PolarHBondContact O-N 2.88Å; T433-A435 WeakPolarHBondContact OG1-CB 3.38Å; T433-A435 PolarHBondContact OG1-N 2.93Å
434G95.8Very high94.7Very high20 Ų2063.9 Ų63.921%0.20634%0.342CS..  trans72.76.3-172.400000114.3D430D430-G434 WeakPolarHBondContact O-CA 3.43Å; D430-G434 PolarHBondContact O-N 3.28Å
435A96.4Very high94.6Very high47 Ų4763.8 Ų63.839%0.38834%0.343SS..  trans-70.1138.7-17700000112.1Y429 D430 T433 L437Y429-A435 WeakPolarHBondContact CA-O 3.24Å; D430-A435 PolarHBondContact N-O 2.9Å; T433-A435 PolarHBondContact O-N 2.88Å; T433-A435 WeakPolarHBondContact OG1-CB 3.38Å; T433-A435 PolarHBondContact OG1-N 2.93Å; A435-L437 PolarHBondContact O-N 3.32Å
436L97Very high94.8Very high77 Ų7761.3 Ų61.340%0.40333%0.333SS..BIsolated β-bridgetrans-70.8121.4172.6179.366.9000110.3D427 Y429 N438D427-L436 HydrophobicContact CB-CD1 3.7Å; Y429-L436 HydrophobicContact CD1-CB 4.38Å; Y429-L436 HydrophobicContact CD1-CD1 4.31Å; Y429-L436 HydrophobicContact CE1-CB 4.23Å; Y429-L436 HydrophobicContact CE1-CD1 3.84Å; L436-N438 HydrophobicContact CD1-CB 4.49Å; L436-N438 WeakPolarHBondContact CD1-OD1 3.48Å
437L96.5Very high95.1Very high6 Ų664.8 Ų64.83%0.03134%0.343CS..  trans-96.9-15.2-170.7-63.6-173.8000114.8V428 D430 A435 F439 S440 Q441 I444V428-L437 HydrophobicContact CB-CB 4.44Å; V428-L437 HydrophobicContact CG1-CB 4.42Å; V428-L437 HydrophobicContact CG1-CD1 4.31Å; V428-L437 PolarHBondContact O-N 2.88Å; D430-L437 HydrophobicContact CB-CD1 3.94Å; D430-L437 HydrophobicContact CB-CD2 4.05Å; D430-L437 HydrophobicContact CB-CG 4.11Å; A435-L437 PolarHBondContact O-N 3.32Å; L437-F439 PolarHBondContact O-N 3.41Å; L437-S440 PolarHBondContact O-N 2.94Å; L437-S440 VanDerWaalsContact O-N 3.11Å; L437-S440 PolarHBondContact O-OG 3.49Å; L437-Q441 HydrophobicContact CB-CB 4.43Å; L437-Q441 HydrophobicContact CD2-CG 4.46Å; L437-Q441 PolarHBondContact O-N 2.63Å; L437-I444 HydrophobicContact CD1-CD1 3.97Å; L437-I444 HydrophobicContact CD1-CG2 4.21Å
438N92.9Very high95.2Very high26 Ų2661.9 Ų61.914%0.13933%0.327CS..THydrogen-bonded Turntrans-48.2-37.5-169.6-69.934.2000115G426 D427 V428 L436G426-N438 PolarHBondContact O-ND2 3.3Å; D427-N438 WeakPolarHBondContact CA-OD1 3.34Å; D427-N438 PolarHBondContact OD1-ND2 2.92Å; V428-N438 PolarHBondContact N-OD1 3.09Å; L436-N438 HydrophobicContact CD1-CB 4.49Å; L436-N438 WeakPolarHBondContact CD1-OD1 3.48Å
439F91.8Very high95Very high188 Ų18866.2 Ų66.283%0.82535%0.346SS*.THydrogen-bonded Turntrans-99.3-32.3-178-60-75000113.2L437L437-F439 PolarHBondContact O-N 3.41Å
440S92.4Very high94.9Very high80 Ų8070.3 Ų70.356%0.55937%0.366SS*.THydrogen-bonded Turntrans-81.6-27.9-176.252.60000113.2L437L437-S440 PolarHBondContact O-N 2.94Å; L437-S440 VanDerWaalsContact O-N 3.11Å; L437-S440 PolarHBondContact O-OG 3.49Å
441Q92.2Very high95Very high66 Ų6669.3 Ų69.331%0.30836%0.361SS..  trans-13969.4-175.4-62.9-168.463.800110.4L437 E443 I444 L445L437-Q441 HydrophobicContact CB-CB 4.43Å; L437-Q441 HydrophobicContact CD2-CG 4.46Å; L437-Q441 PolarHBondContact O-N 2.63Å; Q441-E443 WeakPolarHBondContact CA-OE1 3.42Å; Q441-E443 WeakPolarHBondContact CB-OE1 3.27Å; Q441-E443 PolarHBondContact O-N 2.89Å; Q441-I444 HydrophobicContact CB-CB 4.27Å; Q441-I444 HydrophobicContact CB-CD1 3.97Å; Q441-I444 HydrophobicContact CB-CG1 4.07Å; Q441-I444 HydrophobicContact CG-CD1 4.41Å; Q441-I444 PolarHBondContact O-N 3.37Å; Q441-I444 VanDerWaalsContact O-N 3.1Å; Q441-L445 PolarHBondContact O-N 2.92Å
442P92.1Very high94.9Very high71 Ų7170.3 Ų70.346%0.46137%0.365SS..Hα-helixtrans-61.1-25.8-177.225.7-35.3000113.7L445 E446P442-L445 WeakPolarHBondContact O-CB 3.4Å; P442-L445 PolarHBondContact O-N 3.09Å; P442-E446 PolarHBondContact O-N 2.83Å; P442-E446 VanDerWaalsContact O-N 3.1Å
443E95Very high94.9Very high115 Ų11567.4 Ų67.454%0.53735%0.349SS..Hα-helixtrans-61.6-40.9172.962.9-72.5170.800112.6Q441 L445 E446 E447Q441-E443 WeakPolarHBondContact CA-OE1 3.42Å; Q441-E443 WeakPolarHBondContact CB-OE1 3.27Å; Q441-E443 PolarHBondContact O-N 2.89Å; E443-L445 VanDerWaalsContact C-N 3.29Å; E443-L445 PolarHBondContact O-N 3.43Å; E443-E446 PolarHBondContact O-N 2.67Å; E443-E447 PolarHBondContact O-N 2.94Å
444I94Very high94.9Very high29 Ų2967.5 Ų67.515%0.14934%0.342CS..Hα-helixtrans-67.6-35.2175.9-62.7-174.9000110Y421 V428 L437 Q441 E446 E447 A448Y421-I444 HydrophobicContact CD1-CG2 3.88Å; Y421-I444 HydrophobicContact CE1-CG2 4.12Å; Y421-I444 HydrophobicContact CG-CG2 4.11Å; V428-I444 HydrophobicContact CG1-CG2 3.89Å; L437-I444 HydrophobicContact CD1-CD1 3.97Å; L437-I444 HydrophobicContact CD1-CG2 4.21Å; Q441-I444 HydrophobicContact CB-CB 4.27Å; Q441-I444 HydrophobicContact CB-CD1 3.97Å; Q441-I444 HydrophobicContact CB-CG1 4.07Å; Q441-I444 HydrophobicContact CG-CD1 4.41Å; Q441-I444 PolarHBondContact O-N 3.37Å; Q441-I444 VanDerWaalsContact O-N 3.1Å; I444-E446 PolarHBondContact O-N 3.46Å; I444-E447 PolarHBondContact O-N 2.74Å; I444-A448 VanDerWaalsContact O-CB 3.31Å; I444-A448 WeakPolarHBondContact O-CB 3.38Å; I444-A448 PolarHBondContact O-N 2.62Å
445L93.5Very high95Very high33 Ų3366.6 Ų66.617%0.17333%0.332CS..Hα-helixtrans-64.3-38.9175.3-178.763.1000112.2V428 Q441 P442 E443 A448 K449V428-L445 HydrophobicContact CG2-CD1 3.74Å; Q441-L445 PolarHBondContact O-N 2.92Å; P442-L445 WeakPolarHBondContact O-CB 3.4Å; P442-L445 PolarHBondContact O-N 3.09Å; E443-L445 VanDerWaalsContact C-N 3.29Å; E443-L445 PolarHBondContact O-N 3.43Å; L445-A448 PolarHBondContact O-N 3.27Å; L445-K449 WeakPolarHBondContact O-CG 3.4Å; L445-K449 PolarHBondContact O-N 3.37Å
446E95Very high94.8Very high106 Ų10669 Ų6950%0.49534%0.335SS..Hα-helixtrans-68.3-40.1173.9-68.1-53.8134.100111.9P442 E443 I444 A448 K449 E450P442-E446 PolarHBondContact O-N 2.83Å; P442-E446 VanDerWaalsContact O-N 3.1Å; E443-E446 PolarHBondContact O-N 2.67Å; I444-E446 PolarHBondContact O-N 3.46Å; E446-A448 VanDerWaalsContact C-N 3.34Å; E446-A448 PolarHBondContact O-N 2.91Å; E446-K449 WeakPolarHBondContact O-CB 3.44Å; E446-K449 PolarHBondContact O-N 3.37Å; E446-K449 IonicContact OE1-NZ 3.57Å; E446-K449 PolarHBondContact OE1-NZ 3.36Å; E446-K449 IonicContact OE2-NZ 3.99Å; E446-E450 PolarHBondContact O-N 2.94Å
447E96.2Very high94.7Very high99 Ų9968.8 Ų68.846%0.46333%0.332SS..Hα-helixtrans-59.5-45.8172.9-166.9-162.212900111.4Y421 E443 I444 K449 E450 V451Y421-E447 WeakPolarHBondContact CE1-OE1 3.43Å; Y421-E447 PolarHBondContact OH-OE1 3.14Å; E443-E447 PolarHBondContact O-N 2.94Å; I444-E447 PolarHBondContact O-N 2.74Å; E447-K449 PolarHBondContact O-N 2.96Å; E447-E450 WeakPolarHBondContact O-CA 3.45Å; E447-E450 PolarHBondContact O-N 3Å; E447-V451 PolarHBondContact O-N 3.18Å
448A97.2Very high94.6Very high0 Ų069.9 Ų69.90%034%0.337CS..Hα-helixtrans-59.4-31.3178.100000112.1F416 Y421 Y423 V428 I444 L445 E446 K452F416-A448 HydrophobicContact CZ-CB 4.18Å; F416-A448 WeakPolarHBondContact CZ-O 3.33Å; Y421-A448 HydrophobicContact CD2-CB 4.5Å; Y421-A448 HydrophobicContact CE2-CB 3.71Å; Y423-A448 HydrophobicContact CD2-CB 4.21Å; V428-A448 HydrophobicContact CG2-CB 3.65Å; I444-A448 VanDerWaalsContact O-CB 3.31Å; I444-A448 WeakPolarHBondContact O-CB 3.38Å; I444-A448 PolarHBondContact O-N 2.62Å; L445-A448 PolarHBondContact O-N 3.27Å; E446-A448 VanDerWaalsContact C-N 3.34Å; E446-A448 PolarHBondContact O-N 2.91Å; A448-K452 WeakPolarHBondContact O-CB 3.37Å; A448-K452 PolarHBondContact O-N 3.45Å
449K95.2Very high94.8Very high91 Ų9169.3 Ų69.340%0.39633%0.334SS..Hα-helixtrans-68.6-35.7173.2-69.5170.2-171.7170.80112.5L445 E446 E447 K452 K453L445-K449 WeakPolarHBondContact O-CG 3.4Å; L445-K449 PolarHBondContact O-N 3.37Å; E446-K449 WeakPolarHBondContact O-CB 3.44Å; E446-K449 PolarHBondContact O-N 3.37Å; E446-K449 IonicContact OE1-NZ 3.57Å; E446-K449 PolarHBondContact OE1-NZ 3.36Å; E446-K449 IonicContact OE2-NZ 3.99Å; E447-K449 PolarHBondContact O-N 2.96Å; K449-K452 WeakPolarHBondContact O-CB 3.49Å; K449-K453 PolarHBondContact O-N 3.16Å
450E96.8Very high94.8Very high105 Ų10564.3 Ų64.349%0.49132%0.316SS..Hα-helixtrans-72.2-40.3174.2-63.5-53.1136.300111.4E446 E447 K452 K453 K454E446-E450 PolarHBondContact O-N 2.94Å; E447-E450 WeakPolarHBondContact O-CA 3.45Å; E447-E450 PolarHBondContact O-N 3Å; E450-K452 VanDerWaalsContact C-N 3.31Å; E450-K452 PolarHBondContact O-N 2.97Å; E450-K453 WeakPolarHBondContact O-CB 3.39Å; E450-K453 PolarHBondContact O-N 3.41Å; E450-K453 IonicContact OE1-NZ 3.35Å; E450-K453 PolarHBondContact OE1-NZ 3.49Å; E450-K453 WeakPolarHBondContact OE2-CD 3.31Å; E450-K453 IonicContact OE2-NZ 3.87Å; E450-K453 PolarHBondContact OE2-NZ 3.32Å; E450-K454 PolarHBondContact O-N 3.2Å
451V97.6Very high94.9Very high13 Ų1360.6 Ų60.68%0.07929%0.29CS..Hα-helixtrans-62.8-39.2172.9177.90000111.2L408 F416 T418 Y421 E447 K453 K454 V455L408-V451 HydrophobicContact CD1-CG1 3.52Å; L408-V451 HydrophobicContact CD2-CG1 4.17Å; L408-V451 HydrophobicContact CG-CG1 4.5Å; F416-V451 HydrophobicContact CD2-CG1 3.69Å; F416-V451 HydrophobicContact CE1-CG1 4.42Å; F416-V451 HydrophobicContact CE2-CB 3.85Å; F416-V451 HydrophobicContact CE2-CG1 3.31Å; F416-V451 HydrophobicContact CG-CG1 4.39Å; F416-V451 HydrophobicContact CZ-CB 3.87Å; F416-V451 HydrophobicContact CZ-CG1 3.73Å; T418-V451 HydrophobicContact CG2-CG1 4.24Å; Y421-V451 VanDerWaalsContact OH-CG2 3.31Å; Y421-V451 WeakPolarHBondContact OH-CG2 3.05Å; E447-V451 PolarHBondContact O-N 3.18Å; V451-K453 VanDerWaalsContact C-N 3.27Å; V451-K453 PolarHBondContact O-N 2.84Å; V451-K454 WeakPolarHBondContact O-CA 3.42Å; V451-K454 WeakPolarHBondContact O-CB 3.42Å; V451-K454 PolarHBondContact O-N 3.41Å; V451-V455 HydrophobicContact CG1-CG2 4.41Å; V451-V455 WeakPolarHBondContact O-CG2 3.31Å; V451-V455 PolarHBondContact O-N 2.97Å
452K95.1Very high95.1Very high33 Ų3357.5 Ų57.514%0.14328%0.275CS..Hα-helixtrans-56-39.8174.4-179.357.2170141.80112.3G414 F416 Y423 A448 K449 E450 V455 E456G414-K452 VanDerWaalsContact C-NZ 3.33Å; G414-K452 WeakPolarHBondContact O-CD 3.31Å; G414-K452 WeakPolarHBondContact O-CE 3.24Å; G414-K452 PolarHBondContact O-NZ 3.35Å; F416-K452 HydrophobicContact CD1-CD 4.34Å; F416-K452 HydrophobicContact CE1-CB 3.88Å; F416-K452 HydrophobicContact CE1-CD 4.12Å; Y423-K452 HydrophobicContact CE1-CD 4.15Å; A448-K452 WeakPolarHBondContact O-CB 3.37Å; A448-K452 PolarHBondContact O-N 3.45Å; K449-K452 WeakPolarHBondContact O-CB 3.49Å; E450-K452 VanDerWaalsContact C-N 3.31Å; E450-K452 PolarHBondContact O-N 2.97Å; K452-V455 PolarHBondContact O-N 2.85Å; K452-E456 HydrophobicContact CD-CG 4.36Å; K452-E456 WeakPolarHBondContact CE-OE1 3.31Å; K452-E456 IonicContact NZ-OE1 2.65Å; K452-E456 PolarHBondContact NZ-OE1 2.84Å; K452-E456 WeakPolarHBondContact O-CG 3.47Å; K452-E456 PolarHBondContact O-N 3.39Å
453K95.8Very high95.1Very high110 Ų11055.3 Ų55.348%0.47826%0.259SS..Hα-helixtrans-63.8-41.5174.6-65.3172.2-167.5164.50111.8K449 E450 V451 V455 E456 E457K449-K453 PolarHBondContact O-N 3.16Å; E450-K453 WeakPolarHBondContact O-CB 3.39Å; E450-K453 PolarHBondContact O-N 3.41Å; E450-K453 IonicContact OE1-NZ 3.35Å; E450-K453 PolarHBondContact OE1-NZ 3.49Å; E450-K453 WeakPolarHBondContact OE2-CD 3.31Å; E450-K453 IonicContact OE2-NZ 3.87Å; E450-K453 PolarHBondContact OE2-NZ 3.32Å; V451-K453 VanDerWaalsContact C-N 3.27Å; V451-K453 PolarHBondContact O-N 2.84Å; K453-V455 VanDerWaalsContact C-N 3.35Å; K453-E456 PolarHBondContact O-N 3.09Å; K453-E457 VanDerWaalsContact O-CB 3.28Å; K453-E457 WeakPolarHBondContact O-CB 3.31Å; K453-E457 PolarHBondContact O-N 3.05Å
454K95.4Very high95Very high103 Ų10353.2 Ų53.245%0.44825%0.25SC..Hα-helixtrans-61.2-43.7175-65.2179171.7-178.60111.6E406 L408 E450 V451 E457 Q458E406-K454 IonicContact OE1-NZ 2.85Å; E406-K454 PolarHBondContact OE1-NZ 3.25Å; L408-K454 HydrophobicContact CD2-CB 4.38Å; E450-K454 PolarHBondContact O-N 3.2Å; V451-K454 WeakPolarHBondContact O-CA 3.42Å; V451-K454 WeakPolarHBondContact O-CB 3.42Å; V451-K454 PolarHBondContact O-N 3.41Å; K454-E457 WeakPolarHBondContact O-CB 3.32Å; K454-E457 PolarHBondContact O-N 3.5Å; K454-Q458 PolarHBondContact O-N 3.36Å
455V96.8Very high95.1Very high0 Ų052 Ų520%024%0.243CC..Hα-helixtrans-60.8-50.1176.8166.90000111L408 A410 F416 V451 K452 K453 E457 Q458 L459L408-V455 HydrophobicContact CD1-CG2 3.85Å; L408-V455 HydrophobicContact CD2-CG2 4.06Å; L408-V455 HydrophobicContact CG-CG2 4.27Å; A410-V455 HydrophobicContact CB-CB 4.41Å; A410-V455 HydrophobicContact CB-CG1 3.74Å; A410-V455 HydrophobicContact CB-CG2 4.23Å; F416-V455 HydrophobicContact CB-CG1 4.46Å; F416-V455 HydrophobicContact CB-CG2 3.65Å; F416-V455 HydrophobicContact CD1-CB 4.46Å; F416-V455 HydrophobicContact CD1-CG2 3.86Å; F416-V455 HydrophobicContact CD2-CG2 4.5Å; F416-V455 HydrophobicContact CG-CG2 3.76Å; V451-V455 HydrophobicContact CG1-CG2 4.41Å; V451-V455 WeakPolarHBondContact O-CG2 3.31Å; V451-V455 PolarHBondContact O-N 2.97Å; K452-V455 PolarHBondContact O-N 2.85Å; K453-V455 VanDerWaalsContact C-N 3.35Å; V455-E457 VanDerWaalsContact C-N 3.26Å; V455-E457 PolarHBondContact O-N 3.32Å; V455-Q458 PolarHBondContact O-N 3.04Å; V455-L459 HydrophobicContact CG1-CD1 3.96Å; V455-L459 VanDerWaalsContact O-CG 3.26Å; V455-L459 WeakPolarHBondContact O-CG 3.15Å; V455-L459 PolarHBondContact O-N 2.71Å
456E92.6Very high95.2Very high99 Ų9950.5 Ų50.546%0.46324%0.236SC..Hα-helixtrans-60.7-38.8177.7-73.8175.1173.900111.9K452 K453 N460K452-E456 HydrophobicContact CD-CG 4.36Å; K452-E456 WeakPolarHBondContact CE-OE1 3.31Å; K452-E456 IonicContact NZ-OE1 2.65Å; K452-E456 PolarHBondContact NZ-OE1 2.84Å; K452-E456 WeakPolarHBondContact O-CG 3.47Å; K452-E456 PolarHBondContact O-N 3.39Å; K453-E456 PolarHBondContact O-N 3.09Å; E456-N460 WeakPolarHBondContact O-CB 3.32Å; E456-N460 PolarHBondContact O-N 2.9Å
457E94Very high95Very high71 Ų7147.5 Ų47.533%0.33222%0.223SC..Hα-helixtrans-63.4-49.8175-171.1-171.9126.800112.1K69 K453 K454 V455 L459 N460 I461K69-E457 WeakPolarHBondContact CE-OE1 2.87Å; K69-E457 IonicContact NZ-OE1 2.66Å; K69-E457 PolarHBondContact NZ-OE1 3.42Å; K69-E457 IonicContact NZ-OE2 2.69Å; K69-E457 PolarHBondContact NZ-OE2 3.18Å; K453-E457 VanDerWaalsContact O-CB 3.28Å; K453-E457 WeakPolarHBondContact O-CB 3.31Å; K453-E457 PolarHBondContact O-N 3.05Å; K454-E457 WeakPolarHBondContact O-CB 3.32Å; K454-E457 PolarHBondContact O-N 3.5Å; V455-E457 VanDerWaalsContact C-N 3.26Å; V455-E457 PolarHBondContact O-N 3.32Å; E457-L459 VanDerWaalsContact C-N 3.33Å; E457-L459 PolarHBondContact O-N 3.4Å; E457-N460 PolarHBondContact O-N 3.39Å; E457-N460 VanDerWaalsContact O-N 3.13Å; E457-I461 HydrophobicContact CG-CD1 4.14Å; E457-I461 HydrophobicContact CG-CG1 4.48Å; E457-I461 VanDerWaalsContact O-CG1 3.3Å; E457-I461 WeakPolarHBondContact O-CG1 3.37Å; E457-I461 PolarHBondContact O-N 3.2Å
458Q95.9Very high94.9Very high30 Ų3043 Ų4314%0.1420%0.203CC..Hα-helixtrans-57.5-45.8178.4-167.5-170.139.400111.3F157 L396 K454 V455 N460 I461 S462F157-Q458 HydrophobicContact CE2-CG 4.08Å; L396-Q458 HydrophobicContact CB-CG 4.31Å; L396-Q458 HydrophobicContact CD1-CG 4.39Å; L396-Q458 PolarHBondContact O-NE2 2.8Å; K454-Q458 PolarHBondContact O-N 3.36Å; V455-Q458 PolarHBondContact O-N 3.04Å; Q458-N460 PolarHBondContact O-N 3.46Å; Q458-I461 PolarHBondContact O-N 2.99Å; Q458-S462 PolarHBondContact O-N 2.86Å; Q458-S462 VanDerWaalsContact O-N 3.16Å
459L95.8Very high94.9Very high13 Ų1343 Ų437%0.06820%0.204CC..Hα-helixtrans-62-42.6176.4-66.1172000111.6F157 R412 V455 E457 S462 D463F157-L459 HydrophobicContact CD1-CD2 3.77Å; F157-L459 HydrophobicContact CD2-CD2 3.92Å; F157-L459 HydrophobicContact CE1-CD2 3.74Å; F157-L459 HydrophobicContact CE2-CD2 3.91Å; F157-L459 HydrophobicContact CG-CD2 3.86Å; F157-L459 HydrophobicContact CZ-CD2 3.83Å; R412-L459 VanDerWaalsContact NH1-CD2 3.34Å; V455-L459 HydrophobicContact CG1-CD1 3.96Å; V455-L459 VanDerWaalsContact O-CG 3.26Å; V455-L459 WeakPolarHBondContact O-CG 3.15Å; V455-L459 PolarHBondContact O-N 2.71Å; E457-L459 VanDerWaalsContact C-N 3.33Å; E457-L459 PolarHBondContact O-N 3.4Å; L459-S462 WeakPolarHBondContact O-CB 3.46Å; L459-S462 PolarHBondContact O-N 2.82Å; L459-D463 PolarHBondContact O-N 3.49Å
460N91.7Very high94.9Very high83 Ų8338.9 Ų38.944%0.44419%0.186SC..Hα-helixtrans-68.9-35.6179.5179.955.4000112.8E456 E457 Q458 D463 Q464E456-N460 WeakPolarHBondContact O-CB 3.32Å; E456-N460 PolarHBondContact O-N 2.9Å; E457-N460 PolarHBondContact O-N 3.39Å; E457-N460 VanDerWaalsContact O-N 3.13Å; Q458-N460 PolarHBondContact O-N 3.46Å; N460-D463 PolarHBondContact O-N 3.14Å; N460-Q464 PolarHBondContact ND2-NE2 3.39Å; N460-Q464 WeakPolarHBondContact O-CB 3.26Å; N460-Q464 VanDerWaalsContact O-CG 3.32Å; N460-Q464 WeakPolarHBondContact O-CG 2.82Å; N460-Q464 PolarHBondContact O-N 3.3Å; N460-Q464 PolarHBondContact O-NE2 3.27Å
461I94.9Very high94.9Very high3 Ų334.4 Ų34.42%0.01517%0.165CC..Hα-helixtrans-61.2-48.2172.5-67.1170.3000109.4L66 K69 L70 L396 E457 Q458 D463 Q464 I465L66-I461 HydrophobicContact CD1-CG2 4.42Å; L66-I461 HydrophobicContact CD2-CB 4.47Å; L66-I461 HydrophobicContact CD2-CG1 3.93Å; L66-I461 HydrophobicContact CD2-CG2 4.19Å; K69-I461 HydrophobicContact CD-CD1 4.45Å; L70-I461 HydrophobicContact CD1-CG2 4.18Å; L70-I461 HydrophobicContact CD2-CD1 4.28Å; L70-I461 HydrophobicContact CD2-CG2 4.46Å; L396-I461 HydrophobicContact CD2-CB 4.38Å; L396-I461 HydrophobicContact CD2-CG2 3.81Å; E457-I461 HydrophobicContact CG-CD1 4.14Å; E457-I461 HydrophobicContact CG-CG1 4.48Å; E457-I461 VanDerWaalsContact O-CG1 3.3Å; E457-I461 WeakPolarHBondContact O-CG1 3.37Å; E457-I461 PolarHBondContact O-N 3.2Å; Q458-I461 PolarHBondContact O-N 2.99Å; I461-D463 VanDerWaalsContact C-N 3.3Å; I461-D463 PolarHBondContact O-N 3.11Å; I461-Q464 PolarHBondContact O-N 2.69Å; I461-I465 HydrophobicContact CG2-CD1 3.9Å; I461-I465 WeakPolarHBondContact O-CG1 3.42Å; I461-I465 PolarHBondContact O-N 2.88Å
462S96.8Very high94.8Very high0 Ų036.9 Ų36.90%017%0.173CC..Hα-helixtrans-59-42.5176.8-165.80000112.2F157 Q458 L459 I465 N466F157-S462 PolarHBondContact N-OG 3Å; Q458-S462 PolarHBondContact O-N 2.86Å; Q458-S462 VanDerWaalsContact O-N 3.16Å; L459-S462 WeakPolarHBondContact O-CB 3.46Å; L459-S462 PolarHBondContact O-N 2.82Å; S462-I465 PolarHBondContact O-N 2.87Å; S462-N466 WeakPolarHBondContact O-CB 3.37Å; S462-N466 VanDerWaalsContact O-CG 3.28Å; S462-N466 PolarHBondContact O-N 3.33Å; S462-N466 PolarHBondContact O-ND2 3.43Å
463D92.5Very high94.8Very high25 Ų2537.6 Ų37.613%0.13418%0.176CC..Hα-helixtrans-66.8-38.6178.9-75.3-32.4000113R412 L459 N460 I461 N467R412-D463 IonicContact CZ-OD1 2.79Å; R412-D463 IonicContact CZ-OD2 3.38Å; R412-D463 IonicContact NH1-OD1 2.72Å; R412-D463 IonicContact NH1-OD2 3.91Å; R412-D463 PolarHBondContact NH1-OD2 2.97Å; R412-D463 IonicContact NH2-OD1 2.64Å; R412-D463 PolarHBondContact NH2-OD1 2.89Å; R412-D463 IonicContact NH2-OD2 2.72Å; R412-D463 PolarHBondContact NH2-OD2 3.42Å; L459-D463 PolarHBondContact O-N 3.49Å; N460-D463 PolarHBondContact O-N 3.14Å; I461-D463 VanDerWaalsContact C-N 3.3Å; I461-D463 PolarHBondContact O-N 3.11Å; D463-N467 VanDerWaalsContact O-CB 3.25Å; D463-N467 WeakPolarHBondContact O-CB 3.27Å; D463-N467 PolarHBondContact O-N 3.39Å; D463-N467 PolarHBondContact O-ND2 3.38Å
464Q92.9Very high94.8Very high71 Ų7133 Ų3333%0.33216%0.156SC..Hα-helixtrans-64.4-46.4174.9-76.7176.679.400111L66 N460 I461 N466 G468 L470L66-Q464 HydrophobicContact CD1-CB 3.92Å; N460-Q464 PolarHBondContact ND2-NE2 3.39Å; N460-Q464 WeakPolarHBondContact O-CB 3.26Å; N460-Q464 VanDerWaalsContact O-CG 3.32Å; N460-Q464 WeakPolarHBondContact O-CG 2.82Å; N460-Q464 PolarHBondContact O-N 3.3Å; N460-Q464 PolarHBondContact O-NE2 3.27Å; I461-Q464 PolarHBondContact O-N 2.69Å; Q464-N466 PolarHBondContact O-N 3.14Å; Q464-G468 WeakPolarHBondContact O-CA 3.4Å; Q464-G468 PolarHBondContact O-N 2.72Å; Q464-L470 HydrophobicContact CB-CD1 4.09Å; Q464-L470 WeakPolarHBondContact O-CD1 3.46Å; Q464-L470 WeakPolarHBondContact O-CG 3.28Å
465I96Very high94.7Very high3 Ų336.5 Ų36.52%0.01517%0.168CC..Hα-helixtrans-57.5-50.6177.3-69.4170.2000110.4L66 L156 I461 S462 D469 L470 L471L66-I465 HydrophobicContact CD1-CG1 4.02Å; L156-I465 HydrophobicContact CD1-CG2 3.81Å; L156-I465 HydrophobicContact CD2-CD1 4.12Å; I461-I465 HydrophobicContact CG2-CD1 3.9Å; I461-I465 WeakPolarHBondContact O-CG1 3.42Å; I461-I465 PolarHBondContact O-N 2.88Å; S462-I465 PolarHBondContact O-N 2.87Å; I465-D469 WeakPolarHBondContact O-CA 3.17Å; I465-D469 PolarHBondContact O-N 2.97Å; I465-D469 VanDerWaalsContact O-N 3.12Å; I465-L470 HydrophobicContact CG1-CD1 4.5Å; I465-L470 PolarHBondContact O-N 3.26Å; I465-L470 VanDerWaalsContact O-N 3.09Å; I465-L471 HydrophobicContact CG2-CD1 4.2Å; I465-L471 HydrophobicContact CG2-CD2 4.31Å; I465-L471 HydrophobicContact CG2-CG 3.83Å
466N95.2Very high94.5Very high2 Ų240.8 Ų40.81%0.01119%0.19CC..Hα-helixtrans-69-54.6-177-72.4-32000112F157 L159 L164 L168 N172 S462 Q464 G468 D469F157-N466 PolarHBondContact O-ND2 2.76Å; L159-N466 HydrophobicContact CD2-CB 4.28Å; L164-N466 HydrophobicContact CD1-CB 3.99Å; L164-N466 WeakPolarHBondContact CD1-ND2 3.38Å; L164-N466 WeakPolarHBondContact CD1-OD1 3.38Å; L168-N466 HydrophobicContact CD1-CB 4.26Å; N172-N466 PolarHBondContact ND2-O 2.83Å; S462-N466 WeakPolarHBondContact O-CB 3.37Å; S462-N466 VanDerWaalsContact O-CG 3.28Å; S462-N466 PolarHBondContact O-N 3.33Å; S462-N466 PolarHBondContact O-ND2 3.43Å; Q464-N466 PolarHBondContact O-N 3.14Å; N466-G468 VanDerWaalsContact C-N 3.35Å; N466-G468 PolarHBondContact O-N 2.99Å; N466-D469 PolarHBondContact O-N 2.79Å
467N91.1Very high94.5Very high43 Ų4336.2 Ų36.223%0.2317%0.169CC..Hα-helixtrans-71.6-30.9-175.1-65.8-67.9000112.8I54 D463I54-N467 HydrophobicContact CG2-CB 3.96Å; I54-N467 WeakPolarHBondContact CG2-O 3.47Å; D463-N467 VanDerWaalsContact O-CB 3.25Å; D463-N467 WeakPolarHBondContact O-CB 3.27Å; D463-N467 PolarHBondContact O-N 3.39Å; D463-N467 PolarHBondContact O-ND2 3.38Å
468G93.9Very high94.5Very high5 Ų535 Ų355%0.05218%0.176CC..Hα-helixtrans-83.1-11.7178.100000114.6A58 Q464 N466 L470A58-G468 WeakPolarHBondContact CB-O 3.44Å; Q464-G468 WeakPolarHBondContact O-CA 3.4Å; Q464-G468 PolarHBondContact O-N 2.72Å; N466-G468 VanDerWaalsContact C-N 3.35Å; N466-G468 PolarHBondContact O-N 2.99Å; G468-L470 PolarHBondContact O-N 3.36Å
469D96Very high94.5Very high1 Ų134.4 Ų34.41%0.00517%0.174CC..THydrogen-bonded Turntrans53.642.8-169.4-177.429.4000110.9R55 N172 T173 I465 N466 L471 R472R55-D469 HydrophobicContact CG-CB 4.1Å; R55-D469 IonicContact CZ-OD2 2.98Å; R55-D469 IonicContact NE-OD2 2.75Å; R55-D469 PolarHBondContact NE-OD2 3.19Å; R55-D469 IonicContact NH2-OD2 2.67Å; R55-D469 PolarHBondContact NH2-OD2 3.03Å; N172-D469 WeakPolarHBondContact CA-OD1 3.3Å; T173-D469 WeakPolarHBondContact CB-OD1 3.48Å; T173-D469 PolarHBondContact N-OD1 3.01Å; T173-D469 PolarHBondContact OG1-OD1 2.95Å; I465-D469 WeakPolarHBondContact O-CA 3.17Å; I465-D469 PolarHBondContact O-N 2.97Å; I465-D469 VanDerWaalsContact O-N 3.12Å; N466-D469 PolarHBondContact O-N 2.79Å; D469-L471 VanDerWaalsContact C-N 3.3Å; D469-L471 PolarHBondContact O-N 2.88Å; D469-R472 WeakPolarHBondContact O-CB 3.46Å; D469-R472 WeakPolarHBondContact O-CD 3.45Å; D469-R472 WeakPolarHBondContact O-CG 3.31Å; D469-R472 PolarHBondContact O-N 3.17Å; D469-R472 WeakPolarHBondContact OD2-CD 3.47Å; D469-R472 IonicContact OD2-NH1 3.98Å
470L96.2Very high94.4Very high4 Ų437.6 Ų37.62%0.02120%0.197CC..G310 helixtrans-69.5-25.9-167.3-63-179.1000113.5A58 D62 M63 L66 Q464 I465 G468 R472 F473A58-L470 HydrophobicContact CB-CD2 3.68Å; D62-L470 HydrophobicContact CB-CD1 4.38Å; D62-L470 HydrophobicContact CB-CD2 4.13Å; M63-L470 HydrophobicContact CB-CB 4.23Å; M63-L470 HydrophobicContact CG-CB 4.4Å; M63-L470 WeakPolarHBondContact CG-O 3.34Å; M63-L470 HydrophobicContact SD-CB 3.55Å; M63-L470 VanDerWaalsContact SD-CB 3.55Å; L66-L470 HydrophobicContact CD1-CD1 3.52Å; Q464-L470 HydrophobicContact CB-CD1 4.09Å; Q464-L470 WeakPolarHBondContact O-CD1 3.46Å; Q464-L470 WeakPolarHBondContact O-CG 3.28Å; I465-L470 HydrophobicContact CG1-CD1 4.5Å; I465-L470 PolarHBondContact O-N 3.26Å; I465-L470 VanDerWaalsContact O-N 3.09Å; G468-L470 PolarHBondContact O-N 3.36Å; L470-R472 PolarHBondContact O-N 2.89Å; L470-R472 VanDerWaalsContact O-N 3.07Å; L470-F473 HydrophobicContact CD2-CD2 4.41Å; L470-F473 WeakPolarHBondContact O-CB 3.37Å; L470-F473 PolarHBondContact O-N 3.13Å
471L96.3Very high94.3Very high11 Ų1138.6 Ų38.66%0.05821%0.208CC..G310 helixtrans-60.9-19.4177-66.5178.9000113.1M63 T173 N175 M394 I465 D469 F473 Y474M63-L471 HydrophobicContact SD-CD2 4.46Å; T173-L471 HydrophobicContact CG2-CB 4.38Å; N175-L471 HydrophobicContact CB-CD1 4.37Å; M394-L471 HydrophobicContact CB-CD2 4.04Å; M394-L471 HydrophobicContact CG-CD2 3.98Å; I465-L471 HydrophobicContact CG2-CD1 4.2Å; I465-L471 HydrophobicContact CG2-CD2 4.31Å; I465-L471 HydrophobicContact CG2-CG 3.83Å; D469-L471 VanDerWaalsContact C-N 3.3Å; D469-L471 PolarHBondContact O-N 2.88Å; L471-F473 PolarHBondContact O-N 2.92Å; L471-F473 VanDerWaalsContact O-N 3.08Å; L471-Y474 HydrophobicContact CD2-CD1 4.46Å; L471-Y474 PolarHBondContact O-N 3.39Å
472R95.2Very high94.3Very high64 Ų6439.9 Ų39.924%0.24222%0.216CC..G310 helixtrans-60.8-16.5171.481.6-165.7171.7179.1-3.1113.5R55 A58 T173 D469 L470R55-R472 PolarHBondContact O-NH1 2.91Å; R55-R472 PolarHBondContact O-NH2 3.32Å; A58-R472 PolarHBondContact O-NH2 2.79Å; T173-R472 WeakPolarHBondContact OG1-CB 3.4Å; D469-R472 WeakPolarHBondContact O-CB 3.46Å; D469-R472 WeakPolarHBondContact O-CD 3.45Å; D469-R472 WeakPolarHBondContact O-CG 3.31Å; D469-R472 PolarHBondContact O-N 3.17Å; D469-R472 WeakPolarHBondContact OD2-CD 3.47Å; D469-R472 IonicContact OD2-NH1 3.98Å; L470-R472 PolarHBondContact O-N 2.89Å; L470-R472 VanDerWaalsContact O-N 3.07Å
473F95.5Very high94.2Very high49 Ų4945.3 Ų45.322%0.21524%0.24CC..G310 helixtrans-106.7-1178.5-53.3-55.3000113A58 S59 P60 M63 L470 L471 Y475A58-F473 WeakPolarHBondContact O-CE2 3.41Å; S59-F473 VanDerWaalsContact C-CE2 3.47Å; P60-F473 HydrophobicContact CB-CB 4.37Å; P60-F473 HydrophobicContact CB-CD1 4.47Å; P60-F473 HydrophobicContact CB-CG 4.34Å; P60-F473 HydrophobicContact CG-CD1 3.86Å; P60-F473 HydrophobicContact CG-CE1 3.99Å; P60-F473 HydrophobicContact CG-CG 4.15Å; P60-F473 HydrophobicContact CG-CZ 4.37Å; M63-F473 HydrophobicContact CB-CB 4.08Å; M63-F473 HydrophobicContact CG-CB 4.32Å; L470-F473 HydrophobicContact CD2-CD2 4.41Å; L470-F473 WeakPolarHBondContact O-CB 3.37Å; L470-F473 PolarHBondContact O-N 3.13Å; L471-F473 PolarHBondContact O-N 2.92Å; L471-F473 VanDerWaalsContact O-N 3.08Å; F473-Y475 VanDerWaalsContact O-CD2 3.31Å; F473-Y475 WeakPolarHBondContact O-CD2 3.46Å; F473-Y475 WeakPolarHBondContact O-CE2 2.99Å
474Y95.5Very high94.4Very high12 Ų1245.4 Ų45.45%0.04724%0.241CC..  trans-99.993.5-171.9-171-113.1000112.8M63 A67 D392 M394 L471 D476M63-Y474 HydrophobicContact CE-CD2 3.85Å; M63-Y474 HydrophobicContact CE-CG 4.06Å; M63-Y474 HydrophobicContact CG-CD2 4.19Å; M63-Y474 HydrophobicContact CG-CG 4.44Å; A67-Y474 HydrophobicContact CB-CD2 4.12Å; A67-Y474 HydrophobicContact CB-CE2 3.67Å; D392-Y474 VanDerWaalsContact O-CE1 3.24Å; D392-Y474 WeakPolarHBondContact O-CE1 3.47Å; D392-Y474 PolarHBondContact O-OH 2.64Å; M394-Y474 HydrophobicContact CE-CE1 3.94Å; M394-Y474 HydrophobicContact CE-CE2 3.99Å; M394-Y474 VanDerWaalsContact CE-CZ 3.41Å; M394-Y474 WeakPolarHBondContact CE-OH 3.49Å; M394-Y474 HydrophobicContact CG-CD1 3.63Å; M394-Y474 HydrophobicContact CG-CD2 4.3Å; M394-Y474 HydrophobicContact CG-CE1 3.51Å; M394-Y474 HydrophobicContact CG-CE2 4.22Å; M394-Y474 HydrophobicContact CG-CG 4.03Å; M394-Y474 HydrophobicContact SD-CD2 4.26Å; M394-Y474 HydrophobicContact SD-CE1 4.08Å; M394-Y474 HydrophobicContact SD-CE2 3.84Å; L471-Y474 HydrophobicContact CD2-CD1 4.46Å; L471-Y474 PolarHBondContact O-N 3.39Å; Y474-D476 HydrophobicContact CE1-CB 4.39Å; Y474-D476 HydrophobicContact CE2-CB 3.82Å
475Y93.1Very high94.5Very high178 Ų17849.1 Ų49.170%0.69826%0.258SS*.  trans-88.8-20.8-175-58.5-77.1000114.3F473 S477 G478F473-Y475 VanDerWaalsContact O-CD2 3.31Å; F473-Y475 WeakPolarHBondContact O-CD2 3.46Å; F473-Y475 WeakPolarHBondContact O-CE2 2.99Å; Y475-S477 PolarHBondContact O-N 3.24Å; Y475-G478 PolarHBondContact O-N 3.16Å
476D93.3Very high94.4Very high89 Ų8955.1 Ų55.148%0.47629%0.286SS..THydrogen-bonded Turntrans-63.7-24.8-174.3-67.6-4000113.3K71 Y474 G478K71-D476 IonicContact NZ-OD2 2.62Å; K71-D476 PolarHBondContact NZ-OD2 2.94Å; Y474-D476 HydrophobicContact CE1-CB 4.39Å; Y474-D476 HydrophobicContact CE2-CB 3.82Å; D476-G478 PolarHBondContact O-N 3.21Å
477S93.5Very high94.5Very high3 Ų356.3 Ų56.32%0.02129%0.292CS..THydrogen-bonded Turntrans-55.9-22.5171.365.80000113.5N175 K184 D392 Y475 L479N175-S477 VanDerWaalsContact ND2-CB 3.35Å; N175-S477 WeakPolarHBondContact ND2-CB 3.26Å; N175-S477 PolarHBondContact ND2-OG 2.78Å; N175-S477 VanDerWaalsContact ND2-OG 3.13Å; K184-S477 WeakPolarHBondContact CE-O 3.06Å; K184-S477 PolarHBondContact NZ-O 3.38Å; D392-S477 VanDerWaalsContact O-CA 3.27Å; D392-S477 WeakPolarHBondContact O-CA 3.26Å; Y475-S477 PolarHBondContact O-N 3.24Å; S477-L479 PolarHBondContact O-N 3.05Å; S477-L479 VanDerWaalsContact O-N 3.1Å; S477-L479 PolarHBondContact OG-N 3.06Å
478G93.9Very high94.7Very high45 Ų4557.9 Ų57.946%0.46430%0.301SS..  trans60.115.8-172.300000113.6K184 Y475 D476K184-G478 WeakPolarHBondContact CE-O 3.43Å; K184-G478 PolarHBondContact NZ-O 3.08Å; Y475-G478 PolarHBondContact O-N 3.16Å; D476-G478 PolarHBondContact O-N 3.21Å
479L95.2Very high95Very high19 Ų1958.3 Ų58.310%0.09930%0.301CS..PPolyproline II helixtrans-80.2134.2170.8-68.8167.8000108.7N175 I180 Q183 K184 L393 S477N175-L479 HydrophobicContact CB-CD1 3.61Å; I180-L479 HydrophobicContact CG1-CD1 3.81Å; I180-L479 HydrophobicContact CG1-CD2 4.43Å; Q183-L479 HydrophobicContact CB-CD2 4.01Å; K184-L479 HydrophobicContact CD-CD2 4.26Å; K184-L479 HydrophobicContact CG-CD2 3.89Å; L393-L479 HydrophobicContact CD2-CD1 4.3Å; S477-L479 PolarHBondContact O-N 3.05Å; S477-L479 VanDerWaalsContact O-N 3.1Å; S477-L479 PolarHBondContact OG-N 3.06Å
480S92.9Very high95Very high79 Ų7966.6 Ų66.655%0.55234%0.337SS*.PPolyproline II helixtrans-78.1144169.1-64.90000109.4Q183 V482Q183-S480 PolarHBondContact NE2-O 2.9Å; Q183-S480 PolarHBondContact OE1-O 2.89Å; S480-V482 PolarHBondContact O-N 2.83Å
481P90.9Very high95Very high105 Ų10569.1 Ų69.168%0.68235%0.35SS*.PPolyproline II helixtrans-52.2132173.1-26.934.7000111.4K483P481-K483 PolarHBondContact O-N 3Å
482V95Very high95.1Very high30 Ų3068.7 Ų68.718%0.18235%0.348CS..PPolyproline II helixtrans-65.2125.9178.6-178.60000109.9A179 K207 S480 V484 I487A179-V482 HydrophobicContact CB-CG2 3.97Å; K207-V482 WeakPolarHBondContact O-CG1 3.18Å; S480-V482 PolarHBondContact O-N 2.83Å; V482-V484 VanDerWaalsContact C-N 3.35Å; V482-V484 HydrophobicContact CG1-CG1 4.5Å; V482-V484 PolarHBondContact O-N 2.77Å; V482-I487 HydrophobicContact CG1-CD1 3.76Å
483K94.5Very high95.3Very high114 Ų11467.7 Ų67.750%0.49635%0.347SS..  trans-81.379.5177-59.6-176.4-175.7173.80110.9P481 E485 E486P481-K483 PolarHBondContact O-N 3Å; K483-E485 PolarHBondContact O-N 3.19Å; K483-E485 VanDerWaalsContact O-N 3.1Å; K483-E486 HydrophobicContact CB-CB 4.36Å; K483-E486 HydrophobicContact CB-CG 4.05Å; K483-E486 HydrophobicContact CD-CG 4.28Å; K483-E486 WeakPolarHBondContact CD-OE1 3.07Å; K483-E486 IonicContact NZ-OE1 3.81Å; K483-E486 PolarHBondContact NZ-OE1 2.86Å; K483-E486 IonicContact NZ-OE2 3.78Å; K483-E486 PolarHBondContact O-N 3.12Å
484V95.6Very high95.4Very high27 Ų2772.2 Ų72.216%0.16437%0.367CS..G310 helixtrans-56.7-28.3-175-63.80000114.1K207 R208 V482 E486 I487K207-V484 HydrophobicContact CB-CB 4.18Å; K207-V484 HydrophobicContact CB-CG1 4.03Å; R208-V484 HydrophobicContact CG-CG1 4.28Å; V482-V484 VanDerWaalsContact C-N 3.35Å; V482-V484 HydrophobicContact CG1-CG1 4.5Å; V482-V484 PolarHBondContact O-N 2.77Å; V484-E486 VanDerWaalsContact C-N 3.27Å; V484-E486 PolarHBondContact O-N 2.9Å; V484-I487 PolarHBondContact O-N 3.18Å
485E95.1Very high95.5Very high148 Ų14874.7 Ų74.769%0.69238%0.381SS*.G310 helixtrans-69.1-22.3177.963.8-81.8-169.400113.5K483K483-E485 PolarHBondContact O-N 3.19Å; K483-E485 VanDerWaalsContact O-N 3.1Å
486E94.5Very high95.7Very high130 Ų13066.2 Ų66.261%0.60735%0.347SS*.G310 helixtrans-84.4-13.7175.7-62.2-177.1-176.300111.6K483 V484K483-E486 HydrophobicContact CB-CB 4.36Å; K483-E486 HydrophobicContact CB-CG 4.05Å; K483-E486 HydrophobicContact CD-CG 4.28Å; K483-E486 WeakPolarHBondContact CD-OE1 3.07Å; K483-E486 IonicContact NZ-OE1 3.81Å; K483-E486 PolarHBondContact NZ-OE1 2.86Å; K483-E486 IonicContact NZ-OE2 3.78Å; K483-E486 PolarHBondContact O-N 3.12Å; V484-E486 VanDerWaalsContact C-N 3.27Å; V484-E486 PolarHBondContact O-N 2.9Å
487I96.6Very high95.9Very high27 Ų2765.2 Ų65.214%0.13834%0.342CS..  trans-93.9114.1-177.3-56.6174.6000110.8K207 V482 V484 Y489K207-I487 HydrophobicContact CB-CD1 4.47Å; K207-I487 HydrophobicContact CG-CB 4.17Å; K207-I487 HydrophobicContact CG-CG2 3.93Å; V482-I487 HydrophobicContact CG1-CD1 3.76Å; V484-I487 PolarHBondContact O-N 3.18Å; I487-Y489 HydrophobicContact CG2-CD1 3.87Å; I487-Y489 HydrophobicContact CG2-CE1 3.28Å
488N97.1Very high96.1Very high75 Ų7567 Ų6740%0.40136%0.361SS..  trans-128.6102.7173.6-175.2-11.3000111.6K490 N491N488-K490 PolarHBondContact O-N 2.93Å; N488-K490 VanDerWaalsContact O-N 3.13Å; N488-K490 WeakPolarHBondContact OD1-CB 3.48Å; N488-K490 PolarHBondContact OD1-N 2.72Å; N488-N491 PolarHBondContact ND2-ND2 3.32Å; N488-N491 PolarHBondContact O-N 3.17Å
489Y98.4Very high96.3Very high14 Ų1467.8 Ų67.86%0.05535%0.354CS..G310 helixtrans-64.7-14.4-179.1-59.5-39.7000115.2N203 Y206 K207 Y211 F214 Y219 I487 N491 S492N203-Y489 WeakPolarHBondContact O-CE2 3.37Å; Y206-Y489 VanDerWaalsContact CB-OH 3.23Å; Y206-Y489 WeakPolarHBondContact CB-OH 3.45Å; Y206-Y489 PolarHBondContact O-OH 3.39Å; K207-Y489 VanDerWaalsContact CA-OH 3.3Å; K207-Y489 WeakPolarHBondContact CA-OH 3.24Å; K207-Y489 HydrophobicContact CG-CE2 3.73Å; K207-Y489 PolarHBondContact N-OH 3.25Å; Y211-Y489 VanDerWaalsContact O-CE1 3.32Å; Y211-Y489 WeakPolarHBondContact O-CE1 3.38Å; Y211-Y489 PolarHBondContact O-OH 2.81Å; F214-Y489 HydrophobicContact CB-CD1 3.69Å; F214-Y489 HydrophobicContact CB-CD2 3.87Å; F214-Y489 HydrophobicContact CB-CE1 3.94Å; F214-Y489 HydrophobicContact CB-CE2 4.11Å; F214-Y489 HydrophobicContact CB-CG 3.67Å; F214-Y489 HydrophobicContact CD1-CD2 4.15Å; F214-Y489 HydrophobicContact CD1-CE2 4.4Å; Y219-Y489 WeakPolarHBondContact CE2-O 3.35Å; Y219-Y489 PolarHBondContact OH-O 3.28Å; I487-Y489 HydrophobicContact CG2-CD1 3.87Å; I487-Y489 HydrophobicContact CG2-CE1 3.28Å; Y489-N491 PolarHBondContact O-N 3.27Å; Y489-S492 PolarHBondContact O-OG 2.98Å
490K97.2Very high96.5Very high176 Ų17667.6 Ų67.677%0.76535%0.352SS*.G310 helixtrans-73.7-15.4171.2-62.6-175.3177.2-177.10113Y219 N488Y219-K490 VanDerWaalsContact OH-C 3.23Å; Y219-K490 PolarHBondContact OH-O 3.44Å; N488-K490 PolarHBondContact O-N 2.93Å; N488-K490 VanDerWaalsContact O-N 3.13Å; N488-K490 WeakPolarHBondContact OD1-CB 3.48Å; N488-K490 PolarHBondContact OD1-N 2.72Å
491N96.9Very high96.7Very high57 Ų5772.7 Ų72.731%0.30537%0.365SS..G310 helixtrans-106.510.9-179.4-67.1-27.1000112.5N488 Y489 I493 K494 N495N488-N491 PolarHBondContact ND2-ND2 3.32Å; N488-N491 PolarHBondContact O-N 3.17Å; Y489-N491 PolarHBondContact O-N 3.27Å; N491-I493 PolarHBondContact O-N 3.07Å; N491-K494 WeakPolarHBondContact O-CB 3.26Å; N491-K494 PolarHBondContact O-N 3.24Å; N491-K494 VanDerWaalsContact O-N 3.07Å; N491-N495 WeakPolarHBondContact O-CB 3.35Å; N491-N495 VanDerWaalsContact O-CG 3.26Å; N491-N495 PolarHBondContact O-N 3.04Å; N491-N495 PolarHBondContact O-OD1 2.98Å
492S98.3Very high97Very high1 Ų176.6 Ų76.61%0.00737%0.371CS..Hα-helixtrans-50.7-53.9-172.8-61.20000112.2H213 F214 Y219 Y489 K494 N495 L496H213-S492 PolarHBondContact ND1-O 2.91Å; F214-S492 PolarHBondContact N-OG 3.3Å; F214-S492 PolarHBondContact O-OG 3.46Å; Y219-S492 WeakPolarHBondContact OH-CB 3.39Å; Y219-S492 PolarHBondContact OH-N 3.26Å; Y219-S492 VanDerWaalsContact OH-N 3.13Å; Y489-S492 PolarHBondContact O-OG 2.98Å; S492-K494 PolarHBondContact O-N 3.3Å; S492-N495 PolarHBondContact O-N 2.93Å; S492-L496 PolarHBondContact O-N 2.75Å; S492-L496 VanDerWaalsContact O-N 3.1Å
493I97.6Very high97.2Very high43 Ų4378.5 Ų78.522%0.22138%0.38CS..Hα-helixtrans-66.6-39179.5-168.354.4000112.8Y219 Y244 H247 N491 N495 L496 N497Y219-I493 HydrophobicContact CE1-CB 4.38Å; Y219-I493 HydrophobicContact CE1-CG2 4.11Å; Y244-I493 HydrophobicContact CD1-CD1 4Å; Y244-I493 HydrophobicContact CD1-CG1 4.38Å; Y244-I493 HydrophobicContact CE1-CG1 4.46Å; H247-I493 HydrophobicContact CB-CD1 4.43Å; N491-I493 PolarHBondContact O-N 3.07Å; I493-N495 VanDerWaalsContact C-N 3.27Å; I493-N495 PolarHBondContact O-N 3.43Å; I493-L496 PolarHBondContact O-N 2.74Å; I493-N497 PolarHBondContact O-N 3.25Å; I493-N497 PolarHBondContact O-OD1 3.37Å; I493-N497 VanDerWaalsContact O-OD1 3.11Å
494K97.8Very high97.2Very high145 Ų14574.9 Ų74.963%0.6338%0.375SS*.Hα-helixtrans-62-38.9177.3179.7-178.3174.9-176.30111.2N491 S492 G498N491-K494 WeakPolarHBondContact O-CB 3.26Å; N491-K494 PolarHBondContact O-N 3.24Å; N491-K494 VanDerWaalsContact O-N 3.07Å; S492-K494 PolarHBondContact O-N 3.3Å; K494-G498 PolarHBondContact O-N 2.88Å
495N97.7Very high97.2Very high63 Ų6381.6 Ų81.634%0.33741%0.41SS..Hα-helixtrans-67.5-46.5178.5-70.6-5.6000110.7N491 S492 I493 G498 I499N491-N495 WeakPolarHBondContact O-CB 3.35Å; N491-N495 VanDerWaalsContact O-CG 3.26Å; N491-N495 PolarHBondContact O-N 3.04Å; N491-N495 PolarHBondContact O-OD1 2.98Å; S492-N495 PolarHBondContact O-N 2.93Å; I493-N495 VanDerWaalsContact C-N 3.27Å; I493-N495 PolarHBondContact O-N 3.43Å; N495-G498 PolarHBondContact O-N 2.85Å; N495-I499 WeakPolarHBondContact O-CG1 3.41Å; N495-I499 PolarHBondContact O-N 2.82Å
496L98.3Very high97.4Very high0 Ų081.8 Ų81.80%041%0.411CS..Hα-helixtrans-57.9-50.9175.8-70.6177.5000111.8T188 H213 F215 H247 M248 S492 I493 G498 I499 E500T188-L496 HydrophobicContact CG2-CD2 4.02Å; H213-L496 VanDerWaalsContact NE2-CD2 3.29Å; H213-L496 WeakPolarHBondContact NE2-CD2 3.47Å; F215-L496 HydrophobicContact CZ-CD1 3.82Å; H247-L496 HydrophobicContact CB-CB 4.05Å; H247-L496 HydrophobicContact CB-CD1 4.06Å; M248-L496 HydrophobicContact CG-CD1 4.33Å; S492-L496 PolarHBondContact O-N 2.75Å; S492-L496 VanDerWaalsContact O-N 3.1Å; I493-L496 PolarHBondContact O-N 2.74Å; L496-G498 PolarHBondContact O-N 2.9Å; L496-I499 WeakPolarHBondContact O-CA 3.48Å; L496-I499 WeakPolarHBondContact O-CB 3.27Å; L496-I499 PolarHBondContact O-N 3.45Å; L496-E500 WeakPolarHBondContact O-CG 3.13Å; L496-E500 PolarHBondContact O-N 3.34Å
497N97.8Very high97.5Very high69 Ų6976 Ų7637%0.36938%0.384SS..Hα-helixtrans-61.3-34.1178-62.48.9000111.9I493 K501I493-N497 PolarHBondContact O-N 3.25Å; I493-N497 PolarHBondContact O-OD1 3.37Å; I493-N497 VanDerWaalsContact O-OD1 3.11Å; N497-K501 WeakPolarHBondContact O-CB 3.47Å; N497-K501 PolarHBondContact O-N 2.82Å
498G97.9Very high97.6Very high40 Ų4076.7 Ų76.741%0.41239%0.39SS..Hα-helixtrans-65.1-39.917400000112.8K494 N495 L496 K502K494-G498 PolarHBondContact O-N 2.88Å; N495-G498 PolarHBondContact O-N 2.85Å; L496-G498 PolarHBondContact O-N 2.9Å; G498-K502 WeakPolarHBondContact O-CB 3.34Å; G498-K502 PolarHBondContact O-N 3.26Å
499I97.6Very high97.7Very high62 Ų6273.1 Ų73.132%0.31837%0.371SS..Hα-helixtrans-65.8-47.9175.3-67.8163000110.2Q249 N495 L496 K501 K502 L503Q249-I499 HydrophobicContact CG-CG2 3.57Å; N495-I499 WeakPolarHBondContact O-CG1 3.41Å; N495-I499 PolarHBondContact O-N 2.82Å; L496-I499 WeakPolarHBondContact O-CA 3.48Å; L496-I499 WeakPolarHBondContact O-CB 3.27Å; L496-I499 PolarHBondContact O-N 3.45Å; I499-K501 VanDerWaalsContact C-N 3.35Å; I499-K501 PolarHBondContact O-N 2.74Å; I499-K502 WeakPolarHBondContact O-CB 3.31Å; I499-K502 PolarHBondContact O-N 3.17Å; I499-K502 VanDerWaalsContact O-N 3.11Å; I499-L503 HydrophobicContact CG2-CD1 3.69Å; I499-L503 HydrophobicContact CG2-CG 4.29Å; I499-L503 WeakPolarHBondContact O-CG 3.27Å; I499-L503 PolarHBondContact O-N 2.94Å
500E98.1Very high97.7Very high14 Ų1473 Ų737%0.06537%0.371CS..Hα-helixtrans-54.4-50.8175.9-69.1177.4146.600111.3H247 Q249 L496 K502 L503 G504 S509H247-E500 VanDerWaalsContact CA-OE1 3.3Å; H247-E500 WeakPolarHBondContact CA-OE1 3.42Å; H247-E500 IonicContact CE1-OE2 3.84Å; H247-E500 IonicContact CG-OE1 2.83Å; H247-E500 VanDerWaalsContact ND1-CD 3.35Å; H247-E500 IonicContact ND1-OE1 3.62Å; H247-E500 PolarHBondContact ND1-OE1 3.28Å; H247-E500 IonicContact ND1-OE2 2.88Å; H247-E500 PolarHBondContact ND1-OE2 3.32Å; Q249-E500 VanDerWaalsContact NE2-CG 3.29Å; L496-E500 WeakPolarHBondContact O-CG 3.13Å; L496-E500 PolarHBondContact O-N 3.34Å; E500-K502 VanDerWaalsContact C-N 3.28Å; E500-K502 PolarHBondContact O-N 3.18Å; E500-L503 PolarHBondContact O-N 3.01Å; E500-G504 PolarHBondContact O-N 3.3Å; E500-S509 VanDerWaalsContact OE1-CB 3.32Å; E500-S509 WeakPolarHBondContact OE1-CB 3.48Å; E500-S509 PolarHBondContact OE1-OG 3.2Å
501K97.4Very high97.7Very high186 Ų18666.6 Ų66.681%0.80934%0.344SS*.Hα-helixtrans-60.7-37178.1-176.1175.9-179.6177.30112.8N497 I499N497-K501 WeakPolarHBondContact O-CB 3.47Å; N497-K501 PolarHBondContact O-N 2.82Å; I499-K501 VanDerWaalsContact C-N 3.35Å; I499-K501 PolarHBondContact O-N 2.74Å
502K98.1Very high97.8Very high187 Ų18765.3 Ų65.381%0.81334%0.339SS*.Hα-helixtrans-69.9-38.1178.7-178.1-175.9174.4-1710111.7G498 I499 E500G498-K502 WeakPolarHBondContact O-CB 3.34Å; G498-K502 PolarHBondContact O-N 3.26Å; I499-K502 WeakPolarHBondContact O-CB 3.31Å; I499-K502 PolarHBondContact O-N 3.17Å; I499-K502 VanDerWaalsContact O-N 3.11Å; E500-K502 VanDerWaalsContact C-N 3.28Å; E500-K502 PolarHBondContact O-N 3.18Å
503L98Very high97.7Very high71 Ų7171.4 Ų71.437%0.37237%0.366SS..Hα-helixtrans-80.3-29.3-179.3-68.5174.1000112.6Q249 I499 E500 D505 Q506Q249-L503 HydrophobicContact CG-CD1 4.06Å; I499-L503 HydrophobicContact CG2-CD1 3.69Å; I499-L503 HydrophobicContact CG2-CG 4.29Å; I499-L503 WeakPolarHBondContact O-CG 3.27Å; I499-L503 PolarHBondContact O-N 2.94Å; E500-L503 PolarHBondContact O-N 3.01Å; L503-D505 PolarHBondContact O-N 3.33Å; L503-Q506 HydrophobicContact CB-CB 4.4Å; L503-Q506 WeakPolarHBondContact O-CB 3.44Å; L503-Q506 PolarHBondContact O-N 3.06Å
504G96.4Very high97.7Very high38 Ų3872.4 Ų72.439%0.39237%0.372SS..G310 helixtrans56-126.1-177.400000110.9E500 Q506 S507E500-G504 PolarHBondContact O-N 3.3Å; G504-Q506 PolarHBondContact O-N 3.24Å; G504-S507 VanDerWaalsContact O-CB 3.27Å; G504-S507 WeakPolarHBondContact O-CB 3.2Å; G504-S507 PolarHBondContact O-N 3.31Å
505D95.5Very high97.6Very high168 Ų16871.8 Ų71.890%0.89838%0.375SS*.G310 helixtrans-63.3-14.2179.7-57.9-19.8000113.8L503 S507L503-D505 PolarHBondContact O-N 3.33Å; D505-S507 VanDerWaalsContact C-N 3.33Å
506Q97.5Very high97.6Very high151 Ų15175.6 Ų75.671%0.70639%0.391SS*.G310 helixtrans-86.6-2.8174.6-57.5-59.3-66.700113L503 G504 T508L503-Q506 HydrophobicContact CB-CB 4.4Å; L503-Q506 WeakPolarHBondContact O-CB 3.44Å; L503-Q506 PolarHBondContact O-N 3.06Å; G504-Q506 PolarHBondContact O-N 3.24Å; Q506-T508 PolarHBondContact O-N 3.19Å
507S98.4Very high97.5Very high8 Ų881.5 Ų81.56%0.05642%0.419CS..  trans-66.8132.6179.4-177.30000110.9Q249 G504 D505 S509 S512Q249-S507 VanDerWaalsContact CD-OG 3.31Å; Q249-S507 PolarHBondContact NE2-OG 3.19Å; Q249-S507 VanDerWaalsContact OE1-CA 3.31Å; Q249-S507 PolarHBondContact OE1-OG 3.11Å; G504-S507 VanDerWaalsContact O-CB 3.27Å; G504-S507 WeakPolarHBondContact O-CB 3.2Å; G504-S507 PolarHBondContact O-N 3.31Å; D505-S507 VanDerWaalsContact C-N 3.33Å; S507-S509 PolarHBondContact OG-OG 3.49Å; S507-S512 VanDerWaalsContact CB-CB 3.5Å; S507-S512 VanDerWaalsContact CB-OG 3.26Å; S507-S512 WeakPolarHBondContact CB-OG 3.49Å; S507-S512 WeakPolarHBondContact OG-CB 3.25Å; S507-S512 PolarHBondContact OG-OG 2.98Å
508T98.4Very high97.5Very high43 Ų4380.5 Ų80.526%0.26442%0.417SS..  trans-98.90.8-178.257.40000113.8Q250 Q506Q250-T508 PolarHBondContact N-OG1 3.34Å; Q250-T508 PolarHBondContact NE2-O 3.14Å; Q250-T508 PolarHBondContact O-OG1 2.82Å; Q506-T508 PolarHBondContact O-N 3.19Å
509S98.6Very high97.5Very high0 Ų078.8 Ų78.80%040%0.398CS..SBendtrans-64.7152.917766.70000112E246 M248 Q249 E500 S507 F511 S512 K513E246-S509 WeakPolarHBondContact O-CB 3.42Å; M248-S509 VanDerWaalsContact O-CA 3.28Å; M248-S509 WeakPolarHBondContact O-CA 3.36Å; M248-S509 WeakPolarHBondContact O-CB 3.18Å; Q249-S509 VanDerWaalsContact NE2-CB 3.35Å; E500-S509 VanDerWaalsContact OE1-CB 3.32Å; E500-S509 WeakPolarHBondContact OE1-CB 3.48Å; E500-S509 PolarHBondContact OE1-OG 3.2Å; S507-S509 PolarHBondContact OG-OG 3.49Å; S509-F511 VanDerWaalsContact C-N 3.28Å; S509-F511 PolarHBondContact O-N 3.14Å; S509-S512 PolarHBondContact O-N 3.24Å; S509-S512 WeakPolarHBondContact OG-CB 3.2Å; S509-S512 PolarHBondContact OG-N 2.79Å; S509-S512 PolarHBondContact OG-OG 3.38Å; S509-K513 WeakPolarHBondContact O-CB 3.39Å; S509-K513 WeakPolarHBondContact O-CG 3.42Å; S509-K513 PolarHBondContact O-N 3.17Å
510V98.4Very high97.5Very high10 Ų1079.7 Ų79.76%0.06140%0.401CS..Hα-helixtrans-60.6-43176.7175.40000109.9E246 L311 S512 K513 N514 T519E246-V510 HydrophobicContact CB-CB 4.06Å; E246-V510 HydrophobicContact CB-CG1 4.36Å; E246-V510 PolarHBondContact O-N 2.62Å; L311-V510 HydrophobicContact CD1-CG2 3.94Å; L311-V510 HydrophobicContact CD2-CG2 3.56Å; L311-V510 HydrophobicContact CG-CG2 3.65Å; V510-S512 PolarHBondContact O-N 2.81Å; V510-K513 CarbonylContact O-C 3.58Å; V510-K513 PolarHBondContact O-N 2.93Å; V510-N514 WeakPolarHBondContact O-CB 3.34Å; V510-N514 PolarHBondContact O-N 2.69Å; V510-T519 HydrophobicContact CG1-CG2 3.84Å
511F98.3Very high97.5Very high42 Ų4284.1 Ų84.118%0.18443%0.425CS..Hα-helixtrans-57-49.1178.3-177.8-97.9000112.2E246 H247 S509 N514 Q516E246-F511 HydrophobicContact CG-CB 4.3Å; E246-F511 PolarHBondContact O-N 2.63Å; H247-F511 AromaticContact CE1-CD1 3.64Å; H247-F511 AromaticContact CE1-CD2 3.57Å; H247-F511 AromaticContact CE1-CG 3.37Å; H247-F511 WeakPolarHBondContact CE1-CG 3.35Å; H247-F511 AromaticContact ND1-CD1 3.82Å; H247-F511 AromaticContact ND1-CG 3.64Å; S509-F511 VanDerWaalsContact C-N 3.28Å; S509-F511 PolarHBondContact O-N 3.14Å; F511-N514 CarbonylContact O-C 3.49Å; F511-N514 PolarHBondContact O-N 3.35Å; F511-Q516 HydrophobicContact CD1-CB 4.41Å; F511-Q516 VanDerWaalsContact CE1-CA 3.48Å; F511-Q516 HydrophobicContact CE1-CB 3.66Å; F511-Q516 HydrophobicContact CE1-CG 4.1Å; F511-Q516 VanDerWaalsContact CE2-C 3.47Å; F511-Q516 WeakPolarHBondContact CE2-O 3.49Å; F511-Q516 HydrophobicContact CZ-CB 3.88Å; F511-Q516 WeakPolarHBondContact CZ-O 3.46Å; F511-Q516 VanDerWaalsContact O-CA 3.31Å; F511-Q516 WeakPolarHBondContact O-CA 3.49Å; F511-Q516 PolarHBondContact O-N 2.85Å
512S97.8Very high97.6Very high30 Ų3078.2 Ų78.221%0.2140%0.402CS..Hα-helixtrans-64.6-43.6177.4-64.60000112S507 S509 V510 N514 N515S507-S512 VanDerWaalsContact CB-CB 3.5Å; S507-S512 VanDerWaalsContact CB-OG 3.26Å; S507-S512 WeakPolarHBondContact CB-OG 3.49Å; S507-S512 WeakPolarHBondContact OG-CB 3.25Å; S507-S512 PolarHBondContact OG-OG 2.98Å; S509-S512 PolarHBondContact O-N 3.24Å; S509-S512 WeakPolarHBondContact OG-CB 3.2Å; S509-S512 PolarHBondContact OG-N 2.79Å; S509-S512 PolarHBondContact OG-OG 3.38Å; V510-S512 PolarHBondContact O-N 2.81Å; S512-N514 PolarHBondContact O-N 2.79Å; S512-N515 PolarHBondContact O-N 3.08Å
513K97.1Very high97.6Very high130 Ų13069.8 Ų69.857%0.56537%0.366SS*.Hα-helixtrans-66.1-25176.5-72.9-177.3177.51770113.1S509 V510 N515S509-K513 WeakPolarHBondContact O-CB 3.39Å; S509-K513 WeakPolarHBondContact O-CG 3.42Å; S509-K513 PolarHBondContact O-N 3.17Å; V510-K513 CarbonylContact O-C 3.58Å; V510-K513 PolarHBondContact O-N 2.93Å; K513-N515 VanDerWaalsContact C-N 3.29Å; K513-N515 PolarHBondContact O-N 3.21Å
514N97.2Very high97.6Very high64 Ų6473.1 Ų73.134%0.34238%0.377SS..THydrogen-bonded Turntrans-93.234.1175.8-164.942.4000112.6V510 F511 S512 Q516 Q517 T519V510-N514 WeakPolarHBondContact O-CB 3.34Å; V510-N514 PolarHBondContact O-N 2.69Å; F511-N514 CarbonylContact O-C 3.49Å; F511-N514 PolarHBondContact O-N 3.35Å; S512-N514 PolarHBondContact O-N 2.79Å; N514-Q516 VanDerWaalsContact C-N 3.27Å; N514-Q516 PolarHBondContact O-N 2.93Å; N514-Q517 PolarHBondContact ND2-O 2.84Å; N514-Q517 WeakPolarHBondContact O-CB 3.36Å; N514-Q517 PolarHBondContact O-N 3.03Å; N514-T519 HydrophobicContact CB-CG2 4.18Å; N514-T519 VanDerWaalsContact ND2-CG2 3.32Å; N514-T519 WeakPolarHBondContact ND2-CG2 3.38Å
515N96.2Very high97.6Very high132 Ų13273.8 Ų73.871%0.70637%0.374SS*.THydrogen-bonded Turntrans55.338.3177.1-54.6-64.9000114S512 K513 Q517S512-N515 PolarHBondContact O-N 3.08Å; K513-N515 VanDerWaalsContact C-N 3.29Å; K513-N515 PolarHBondContact O-N 3.21Å; N515-Q517 PolarHBondContact O-N 2.66Å
516Q96Very high97.6Very high142 Ų14269 Ų6966%0.66435%0.345SS*.THydrogen-bonded Turntrans59.430.5-178.7-55.4158.353.600112.8F511 N514F511-Q516 HydrophobicContact CD1-CB 4.41Å; F511-Q516 VanDerWaalsContact CE1-CA 3.48Å; F511-Q516 HydrophobicContact CE1-CB 3.66Å; F511-Q516 HydrophobicContact CE1-CG 4.1Å; F511-Q516 VanDerWaalsContact CE2-C 3.47Å; F511-Q516 WeakPolarHBondContact CE2-O 3.49Å; F511-Q516 HydrophobicContact CZ-CB 3.88Å; F511-Q516 WeakPolarHBondContact CZ-O 3.46Å; F511-Q516 VanDerWaalsContact O-CA 3.31Å; F511-Q516 WeakPolarHBondContact O-CA 3.49Å; F511-Q516 PolarHBondContact O-N 2.85Å; N514-Q516 VanDerWaalsContact C-N 3.27Å; N514-Q516 PolarHBondContact O-N 2.93Å
517Q97.2Very high97.5Very high125 Ų12563.3 Ų63.358%0.58432%0.321SS*.  trans-107.9133.6170.6-60.9-57.3-52.800109.1N514 N515N514-Q517 PolarHBondContact ND2-O 2.84Å; N514-Q517 WeakPolarHBondContact O-CB 3.36Å; N514-Q517 PolarHBondContact O-N 3.03Å; N515-Q517 PolarHBondContact O-N 2.66Å
518S97.9Very high97.3Very high47 Ų4764.8 Ų64.833%0.32933%0.326SS..  trans-62.9148173.5-173.10000110.2E246 E520E246-S518 WeakPolarHBondContact OE1-CA 3.48Å; E246-S518 VanDerWaalsContact OE1-CB 3.24Å; E246-S518 WeakPolarHBondContact OE1-CB 3.38Å; E246-S518 PolarHBondContact OE1-OG 2.86Å; E246-S518 PolarHBondContact OE2-OG 3.2Å; S518-E520 WeakPolarHBondContact OG-CB 3.35Å; S518-E520 PolarHBondContact OG-N 3.19Å
519T98.4Very high96.9Very high5 Ų566.7 Ų66.73%0.03133%0.331CS..  trans-1068.8174.956.70000111.9E246 Y305 V510 N514 D521 L522E246-T519 WeakPolarHBondContact OE2-CA 3.34Å; E246-T519 PolarHBondContact OE2-N 3.2Å; E246-T519 PolarHBondContact OE2-OG1 3.32Å; Y305-T519 WeakPolarHBondContact CE2-O 3.35Å; Y305-T519 PolarHBondContact OH-OG1 2.95Å; Y305-T519 VanDerWaalsContact OH-OG1 3.09Å; V510-T519 HydrophobicContact CG1-CG2 3.84Å; N514-T519 HydrophobicContact CB-CG2 4.18Å; N514-T519 VanDerWaalsContact ND2-CG2 3.32Å; N514-T519 WeakPolarHBondContact ND2-CG2 3.38Å; T519-D521 PolarHBondContact O-N 2.82Å; T519-D521 VanDerWaalsContact O-N 3.16Å; T519-L522 HydrophobicContact CG2-CD1 4.11Å; T519-L522 VanDerWaalsContact O-CB 3.26Å; T519-L522 WeakPolarHBondContact O-CB 3.31Å; T519-L522 WeakPolarHBondContact O-CG 3.21Å; T519-L522 PolarHBondContact O-N 2.92Å
520E97.6Very high96.6Very high80 Ų8071.3 Ų71.337%0.37435%0.352SS..G310 helixtrans-55-33.1178.1-174.8175.3173.300112.4V242 K243 S518 L522 Y523V242-E520 HydrophobicContact CG2-CB 4.33Å; V242-E520 HydrophobicContact CG2-CG 4.18Å; K243-E520 HydrophobicContact CB-CB 4.48Å; K243-E520 HydrophobicContact CB-CG 4.48Å; K243-E520 WeakPolarHBondContact CB-OE2 3.16Å; S518-E520 WeakPolarHBondContact OG-CB 3.35Å; S518-E520 PolarHBondContact OG-N 3.19Å; E520-L522 PolarHBondContact O-N 2.84Å; E520-Y523 WeakPolarHBondContact O-CB 3.27Å; E520-Y523 PolarHBondContact O-N 2.83Å; E520-Y523 VanDerWaalsContact O-N 3.12Å
521D97.8Very high96.3Very high107 Ų10773.4 Ų73.457%0.57236%0.359SS*.G310 helixtrans-68.2-17.2178.472.6-34.8000113.9T519 Y523 K524T519-D521 PolarHBondContact O-N 2.82Å; T519-D521 VanDerWaalsContact O-N 3.16Å; D521-Y523 VanDerWaalsContact C-N 3.28Å; D521-K524 WeakPolarHBondContact O-CE 3.37Å; D521-K524 PolarHBondContact O-NZ 2.82Å
522L98.3Very high95.6Very high63 Ų6373.9 Ų73.933%0.3337%0.366SS..G310 helixtrans-71.4-24.6172.8-58-176.3000112Y305 A308 T519 E520 K524Y305-L522 HydrophobicContact CD2-CB 4.19Å; Y305-L522 HydrophobicContact CE2-CB 4.49Å; A308-L522 HydrophobicContact CB-CB 4.16Å; A308-L522 HydrophobicContact CB-CD1 4.11Å; T519-L522 HydrophobicContact CG2-CD1 4.11Å; T519-L522 VanDerWaalsContact O-CB 3.26Å; T519-L522 WeakPolarHBondContact O-CB 3.31Å; T519-L522 WeakPolarHBondContact O-CG 3.21Å; T519-L522 PolarHBondContact O-N 2.92Å; E520-L522 PolarHBondContact O-N 2.84Å; L522-K524 PolarHBondContact O-N 3.49Å
523Y98.6Very high94.7Very high10 Ų1076.2 Ų76.24%0.03938%0.379CS..  trans-71.5120.7177.4-162.2-77.5000110.2F238 Q239 V242 E301 F302 Y305 E520 D521F238-Y523 HydrophobicContact CB-CE2 4.2Å; F238-Y523 VanDerWaalsContact CB-OH 3.32Å; F238-Y523 WeakPolarHBondContact CB-OH 3.34Å; Q239-Y523 HydrophobicContact CB-CD1 3.73Å; Q239-Y523 HydrophobicContact CB-CE1 3.53Å; Q239-Y523 HydrophobicContact CB-CG 4.37Å; Q239-Y523 HydrophobicContact CG-CD1 3.64Å; Q239-Y523 HydrophobicContact CG-CE1 3.96Å; Q239-Y523 HydrophobicContact CG-CG 4.25Å; V242-Y523 HydrophobicContact CG1-CD2 3.56Å; V242-Y523 HydrophobicContact CG1-CE2 4.06Å; V242-Y523 HydrophobicContact CG1-CG 4.49Å; E301-Y523 HydrophobicContact CB-CE1 4.06Å; E301-Y523 WeakPolarHBondContact CB-OH 3.32Å; F302-Y523 HydrophobicContact CB-CE2 4.43Å; Y305-Y523 HydrophobicContact CD2-CD2 4.31Å; Y305-Y523 AromaticContact CG-CD2 3.94Å; Y305-Y523 HydrophobicContact CG-CD2 3.94Å; E520-Y523 WeakPolarHBondContact O-CB 3.27Å; E520-Y523 PolarHBondContact O-N 2.83Å; E520-Y523 VanDerWaalsContact O-N 3.12Å; D521-Y523 VanDerWaalsContact C-N 3.28Å
524K98.1Very high93.3Very high140 Ų14075.2 Ų75.261%0.60938%0.376SS*.  trans-114131.2176.5-55.2-54.3-179.7-164.80109.1D521 L522D521-K524 WeakPolarHBondContact O-CE 3.37Å; D521-K524 PolarHBondContact O-NZ 2.82Å; L522-K524 PolarHBondContact O-N 3.49Å
525T97Very high91.6Very high53 Ų5380.7 Ų80.733%0.32540%0.397SS..  trans-127141.7174.9-167.80000109.3E301E301-T525 PolarHBondContact OE1-OG1 3.47Å; E301-T525 WeakPolarHBondContact OE2-CA 3.31Å; E301-T525 WeakPolarHBondContact OE2-CB 3.48Å; E301-T525 PolarHBondContact OE2-OG1 2.87Å
526K95.8Very high89.8Confident66 Ų6681.1 Ų81.129%0.28740%0.4SS..  trans-132.9151.9167.9-52.5-174.8-175.2-175.90109K235 E301 E530 Y531 E534K235-K526 PolarHBondContact NZ-O 3.38Å; E301-K526 PolarHBondContact OE1-N 3.35Å; K526-E530 HydrophobicContact CB-CB 3.91Å; K526-E530 HydrophobicContact CD-CB 4.41Å; K526-Y531 HydrophobicContact CB-CD1 4.32Å; K526-Y531 HydrophobicContact CB-CD2 3.96Å; K526-Y531 HydrophobicContact CB-CE1 3.96Å; K526-Y531 HydrophobicContact CB-CE2 3.6Å; K526-Y531 HydrophobicContact CB-CG 4.29Å; K526-Y531 HydrophobicContact CD-CD1 4.08Å; K526-Y531 HydrophobicContact CD-CE1 3.71Å; K526-Y531 HydrophobicContact CG-CE1 4Å; K526-Y531 HydrophobicContact CG-CE2 4.4Å; K526-Y531 VanDerWaalsContact O-CE2 3.28Å; K526-Y531 WeakPolarHBondContact O-CE2 3.41Å; K526-E534 IonicContact NZ-OE1 3.55Å; K526-E534 PolarHBondContact NZ-OE1 2.88Å; K526-E534 IonicContact NZ-OE2 3.04Å; K526-E534 PolarHBondContact NZ-OE2 2.95Å
527T94.7Very high87.3Confident33 Ų3383.5 Ų83.520%0.20242%0.417CS..  trans-70.3157.9173.963.90000110.7A271 E272 K529 E530 Y531A271-T527 HydrophobicContact CB-CG2 3.61Å; A271-T527 WeakPolarHBondContact O-CB 3.46Å; E272-T527 WeakPolarHBondContact OE1-CA 3.49Å; T527-K529 PolarHBondContact O-N 2.8Å; T527-E530 WeakPolarHBondContact CB-OE2 3.42Å; T527-E530 WeakPolarHBondContact CG2-OE2 3.44Å; T527-E530 PolarHBondContact N-OE2 3.37Å; T527-E530 PolarHBondContact O-N 2.78Å; T527-E530 VanDerWaalsContact O-N 3.09Å; T527-E530 VanDerWaalsContact OG1-CD 3.3Å; T527-E530 VanDerWaalsContact OG1-CG 3.29Å; T527-E530 WeakPolarHBondContact OG1-CG 3.42Å; T527-E530 PolarHBondContact OG1-N 2.97Å; T527-E530 PolarHBondContact OG1-OE2 2.81Å; T527-Y531 PolarHBondContact O-N 3.1Å; T527-Y531 VanDerWaalsContact O-N 3.12Å
528F93.2Very high86.8Confident38 Ų3881.5 Ų81.517%0.16741%0.408CS..Hα-helixtrans-50.5-44.8174.9-176.6-88.4000112.3E272 G274 F275 E530 Y531 T532E272-F528 WeakPolarHBondContact O-CB 3.45Å; E272-F528 PolarHBondContact OE2-N 2.77Å; G274-F528 VanDerWaalsContact C-CZ 3.46Å; G274-F528 VanDerWaalsContact CA-CE1 3.4Å; F275-F528 HydrophobicContact CB-CE2 3.9Å; F275-F528 HydrophobicContact CB-CZ 4.14Å; F275-F528 HydrophobicContact CD2-CE2 4.19Å; F275-F528 VanDerWaalsContact N-CZ 3.32Å; F528-E530 VanDerWaalsContact C-N 3.34Å; F528-E530 PolarHBondContact O-N 3.49Å; F528-Y531 PolarHBondContact O-N 3.47Å; F528-T532 HydrophobicContact CD1-CG2 4.11Å; F528-T532 HydrophobicContact CE1-CG2 3.57Å; F528-T532 HydrophobicContact CE2-CG2 4.39Å; F528-T532 HydrophobicContact CZ-CG2 3.74Å; F528-T532 PolarHBondContact O-N 2.89Å; F528-T532 VanDerWaalsContact O-N 3.11Å; F528-T532 PolarHBondContact O-OG1 3Å; F528-T532 VanDerWaalsContact O-OG1 3.13Å
529K90.3Very high86.2Confident84 Ų8483.3 Ų83.337%0.36541%0.413SS..Hα-helixtrans-63.2-36.5179.5-70.1177.6178.8164.90112.7E270 A271 K273 T527 T532 T533E270-K529 WeakPolarHBondContact O-CE 3.07Å; E270-K529 PolarHBondContact O-NZ 3.46Å; E270-K529 IonicContact OE1-NZ 2.78Å; E270-K529 PolarHBondContact OE1-NZ 2.85Å; A271-K529 PolarHBondContact O-N 3.47Å; K273-K529 WeakPolarHBondContact O-CE 3.38Å; T527-K529 PolarHBondContact O-N 2.8Å; K529-T532 PolarHBondContact O-OG1 3.21Å; K529-T533 WeakPolarHBondContact O-CB 3.46Å; K529-T533 PolarHBondContact O-N 2.65Å; K529-T533 PolarHBondContact O-OG1 2.95Å
530E93.4Very high85.5Confident96 Ų9687.6 Ų87.645%0.44943%0.434SS..Hα-helixtrans-68-42.4176.2-74.3165138.800111.7K526 T527 F528 T532 E534K526-E530 HydrophobicContact CB-CB 3.91Å; K526-E530 HydrophobicContact CD-CB 4.41Å; T527-E530 WeakPolarHBondContact CB-OE2 3.42Å; T527-E530 WeakPolarHBondContact CG2-OE2 3.44Å; T527-E530 PolarHBondContact N-OE2 3.37Å; T527-E530 PolarHBondContact O-N 2.78Å; T527-E530 VanDerWaalsContact O-N 3.09Å; T527-E530 VanDerWaalsContact OG1-CD 3.3Å; T527-E530 VanDerWaalsContact OG1-CG 3.29Å; T527-E530 WeakPolarHBondContact OG1-CG 3.42Å; T527-E530 PolarHBondContact OG1-N 2.97Å; T527-E530 PolarHBondContact OG1-OE2 2.81Å; F528-E530 VanDerWaalsContact C-N 3.34Å; F528-E530 PolarHBondContact O-N 3.49Å; E530-T532 VanDerWaalsContact C-N 3.31Å; E530-T532 PolarHBondContact O-N 3.28Å; E530-E534 PolarHBondContact O-N 3.35Å
531Y91.9Very high84.8Confident54 Ų5488.1 Ų88.121%0.21244%0.437CS..Hα-helixtrans-65.6-31.1177-78.8-53.9000113.9T297 R300 E301 K526 T527 F528T297-Y531 HydrophobicContact CG2-CD2 4.25Å; T297-Y531 HydrophobicContact CG2-CE2 3.91Å; R300-Y531 PolarHBondContact NH2-OH 3.25Å; E301-Y531 WeakPolarHBondContact OE1-CE2 3.41Å; E301-Y531 PolarHBondContact OE1-OH 3.4Å; K526-Y531 HydrophobicContact CB-CD1 4.32Å; K526-Y531 HydrophobicContact CB-CD2 3.96Å; K526-Y531 HydrophobicContact CB-CE1 3.96Å; K526-Y531 HydrophobicContact CB-CE2 3.6Å; K526-Y531 HydrophobicContact CB-CG 4.29Å; K526-Y531 HydrophobicContact CD-CD1 4.08Å; K526-Y531 HydrophobicContact CD-CE1 3.71Å; K526-Y531 HydrophobicContact CG-CE1 4Å; K526-Y531 HydrophobicContact CG-CE2 4.4Å; K526-Y531 VanDerWaalsContact O-CE2 3.28Å; K526-Y531 WeakPolarHBondContact O-CE2 3.41Å; T527-Y531 PolarHBondContact O-N 3.1Å; T527-Y531 VanDerWaalsContact O-N 3.12Å; F528-Y531 PolarHBondContact O-N 3.47Å
532T84Confident84Confident53 Ų5386.9 Ų86.933%0.32543%0.429SS..Hα-helixtrans-85.9-30.9179.453.10000113.1F528 K529 E530 K535 N536F528-T532 HydrophobicContact CD1-CG2 4.11Å; F528-T532 HydrophobicContact CE1-CG2 3.57Å; F528-T532 HydrophobicContact CE2-CG2 4.39Å; F528-T532 HydrophobicContact CZ-CG2 3.74Å; F528-T532 PolarHBondContact O-N 2.89Å; F528-T532 VanDerWaalsContact O-N 3.11Å; F528-T532 PolarHBondContact O-OG1 3Å; F528-T532 VanDerWaalsContact O-OG1 3.13Å; K529-T532 PolarHBondContact O-OG1 3.21Å; E530-T532 VanDerWaalsContact C-N 3.31Å; E530-T532 PolarHBondContact O-N 3.28Å; T532-K535 PolarHBondContact O-N 3.32Å; T532-N536 PolarHBondContact O-ND2 3.11Å
533T78.8Confident83.1Confident79 Ų7988.5 Ų88.549%0.48544%0.436SS..Hα-helixtrans-69.4-44.2176.8-510000111.1K529 K535 N536 D537K529-T533 WeakPolarHBondContact O-CB 3.46Å; K529-T533 PolarHBondContact O-N 2.65Å; K529-T533 PolarHBondContact O-OG1 2.95Å; T533-K535 PolarHBondContact O-N 3.42Å; T533-K535 VanDerWaalsContact O-N 3.16Å; T533-N536 PolarHBondContact O-N 3.22Å; T533-D537 PolarHBondContact O-N 3.1Å
534E67.2Low81.9Confident109 Ų10994.1 Ų94.151%0.50946%0.464SS..THydrogen-bonded Turntrans-64.4-19177.8-74.1-179.1174.800114.2K526 E530 N536K526-E534 IonicContact NZ-OE1 3.55Å; K526-E534 PolarHBondContact NZ-OE1 2.88Å; K526-E534 IonicContact NZ-OE2 3.04Å; K526-E534 PolarHBondContact NZ-OE2 2.95Å; E530-E534 PolarHBondContact O-N 3.35Å; E534-N536 VanDerWaalsContact C-N 3.34Å
535K62Low80.7Confident178 Ų17890.5 Ų90.577%0.77445%0.453SS*.THydrogen-bonded Turntrans-79.8-18.1174.2-82.3-174.7177.1-178.90113.2T532 T533T532-K535 PolarHBondContact O-N 3.32Å; T533-K535 PolarHBondContact O-N 3.42Å; T533-K535 VanDerWaalsContact O-N 3.16Å
536N57.4Low79.4Confident142 Ų14293.7 Ų93.776%0.75946%0.463SS*.THydrogen-bonded Turntrans-101.5-7.9-175.8-69.1-29.7000113.4T532 T533 E534T532-N536 PolarHBondContact O-ND2 3.11Å; T533-N536 PolarHBondContact O-N 3.22Å; E534-N536 VanDerWaalsContact C-N 3.34Å
537D43.7Very low77.9Confident192 Ų19296.2 Ų96.2100%1.02748%0.479SS*.  trans-97.90169.1-69.4-26.7000110.3T533T533-D537 PolarHBondContact O-N 3.1Å

Retrieved 537 of 537 residues in 618.3 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).