A0A077ZEU1_TRITR Loading...

F-actin monooxygenase

AlphaFold DB , UniProt , Accession A0A077ZEU1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,012 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
1M49Very low79.3Confident201 Ų20173.7 Ų73.799%0.9942%0.423SS*.  0-35.40-74.7-169.4-115.300111.5S3 L4 H5M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.23Å; M1-S3 VanDerWaalsContact O-N 3.14Å; M1-L4 WeakPolarHBondContact O-CA 3.27Å; M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 3.43Å; M1-H5 PolarHBondContact O-N 3.15Å
2D59.2Low80.5Confident139 Ų13967.9 Ų67.974%0.74339%0.389SS*.Hα-helixtrans-50.9-39.1-175.6-42.1-11.5000114.1L4 H5 A6D2-L4 PolarHBondContact O-N 2.9Å; D2-H5 PolarHBondContact O-N 3.12Å; D2-A6 VanDerWaalsContact O-CB 3.3Å; D2-A6 WeakPolarHBondContact O-CB 3.48Å; D2-A6 PolarHBondContact O-N 3.18Å
3S74.9Confident81.4Confident87 Ų8767.7 Ų67.761%0.60838%0.382SS*.Hα-helixtrans-62.1-37.617554.60000113.6M1 C7M1-S3 VanDerWaalsContact C-N 3.26Å; M1-S3 PolarHBondContact O-N 3.23Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-C7 WeakPolarHBondContact O-CB 3.37Å; S3-C7 PolarHBondContact O-N 2.82Å; S3-C7 VanDerWaalsContact O-N 3.09Å
4L81.5Confident82.1Confident77 Ų7766.1 Ų66.140%0.40338%0.377SS..Hα-helixtrans-71.2-45.8176.518062.8000110.7M1 D2 A6 C7 V8 L34 T613M1-L4 WeakPolarHBondContact O-CA 3.27Å; M1-L4 WeakPolarHBondContact O-CB 3.3Å; M1-L4 PolarHBondContact O-N 3.43Å; D2-L4 PolarHBondContact O-N 2.9Å; L4-A6 PolarHBondContact O-N 2.59Å; L4-C7 WeakPolarHBondContact O-CB 3.36Å; L4-C7 PolarHBondContact O-N 3.49Å; L4-C7 VanDerWaalsContact O-N 3.13Å; L4-V8 HydrophobicContact CD1-CG2 4.17Å; L4-V8 HydrophobicContact CG-CG2 4.35Å; L4-V8 WeakPolarHBondContact O-CB 3.46Å; L4-V8 WeakPolarHBondContact O-CG2 3.28Å; L4-V8 PolarHBondContact O-N 2.97Å; L4-L34 HydrophobicContact CD1-CD2 3.77Å; L4-T613 HydrophobicContact CD1-CG2 3.87Å
5H82Confident83Confident87 Ų8761.7 Ų61.740%0.40335%0.352SS..Hα-helixtrans-62.9-42.6179.6-174-85.2000112.4M1 D2 C7 S9 T54M1-H5 PolarHBondContact O-N 3.15Å; D2-H5 PolarHBondContact O-N 3.12Å; H5-C7 VanDerWaalsContact C-N 3.32Å; H5-C7 PolarHBondContact O-N 2.91Å; H5-S9 VanDerWaalsContact O-CB 3.31Å; H5-S9 WeakPolarHBondContact O-CB 3.28Å; H5-S9 PolarHBondContact O-N 3.42Å; H5-S9 PolarHBondContact O-OG 3.29Å; H5-T54 PolarHBondContact NE2-OG1 3.04Å
6A83.3Confident83.7Confident53 Ų5359.5 Ų59.544%0.43834%0.34SS..Hα-helixtrans-62.5-38.8172.700000112D2 L4 T10D2-A6 VanDerWaalsContact O-CB 3.3Å; D2-A6 WeakPolarHBondContact O-CB 3.48Å; D2-A6 PolarHBondContact O-N 3.18Å; L4-A6 PolarHBondContact O-N 2.59Å; A6-T10 WeakPolarHBondContact O-CB 3.48Å; A6-T10 PolarHBondContact O-N 3.28Å; A6-T10 PolarHBondContact O-OG1 3.27Å
7C85.7Confident84.2Confident25 Ų2560.5 Ų60.517%0.16935%0.352CS..Hα-helixtrans-69-47.7178.3-164.70000112.2S3 L4 H5 S9 T10 V11 L34 T613 L616S3-C7 WeakPolarHBondContact O-CB 3.37Å; S3-C7 PolarHBondContact O-N 2.82Å; S3-C7 VanDerWaalsContact O-N 3.09Å; L4-C7 WeakPolarHBondContact O-CB 3.36Å; L4-C7 PolarHBondContact O-N 3.49Å; L4-C7 VanDerWaalsContact O-N 3.13Å; H5-C7 VanDerWaalsContact C-N 3.32Å; H5-C7 PolarHBondContact O-N 2.91Å; C7-S9 VanDerWaalsContact C-N 3.33Å; C7-S9 PolarHBondContact O-N 2.96Å; C7-T10 PolarHBondContact O-N 2.98Å; C7-T10 VanDerWaalsContact O-N 3.16Å; C7-V11 WeakPolarHBondContact O-CG2 3.43Å; C7-V11 PolarHBondContact O-N 2.99Å; C7-L34 HydrophobicContact CB-CD2 4.44Å; C7-T613 HydrophobicContact CB-CG2 4.04Å; C7-L616 WeakPolarHBondContact SG-CD1 3.2Å
8V89.6Confident84.8Confident7 Ų757.7 Ų57.74%0.04234%0.337CS..Hα-helixtrans-55.4-48.2173168.60000110.6L4 T10 V11 F12 L31 L34 V53L4-V8 HydrophobicContact CD1-CG2 4.17Å; L4-V8 HydrophobicContact CG-CG2 4.35Å; L4-V8 WeakPolarHBondContact O-CB 3.46Å; L4-V8 WeakPolarHBondContact O-CG2 3.28Å; L4-V8 PolarHBondContact O-N 2.97Å; V8-T10 PolarHBondContact O-N 3.03Å; V8-V11 PolarHBondContact O-N 3.11Å; V8-F12 WeakPolarHBondContact O-CB 3.25Å; V8-F12 PolarHBondContact O-N 3.2Å; V8-L31 HydrophobicContact CG1-CD1 4.12Å; V8-L34 HydrophobicContact CG2-CB 3.9Å; V8-L34 HydrophobicContact CG2-CD1 4.35Å; V8-V53 HydrophobicContact CG1-CG2 3.89Å
9S88.3Confident85.2Confident27 Ų2757.7 Ų57.719%0.18934%0.341CS..Hα-helixtrans-60.6-43.4176.8-61.20000112H5 C7 F12 E13H5-S9 VanDerWaalsContact O-CB 3.31Å; H5-S9 WeakPolarHBondContact O-CB 3.28Å; H5-S9 PolarHBondContact O-N 3.42Å; H5-S9 PolarHBondContact O-OG 3.29Å; C7-S9 VanDerWaalsContact C-N 3.33Å; C7-S9 PolarHBondContact O-N 2.96Å; S9-F12 PolarHBondContact O-N 3.3Å; S9-E13 WeakPolarHBondContact O-CG 3.15Å; S9-E13 PolarHBondContact O-N 3.05Å
10T89Confident85.6Confident96 Ų9657.4 Ų57.459%0.58934%0.339SS*.Hα-helixtrans-65.1-42.2178.6-57.90000112.2A6 C7 V8 E13 S14A6-T10 WeakPolarHBondContact O-CB 3.48Å; A6-T10 PolarHBondContact O-N 3.28Å; A6-T10 PolarHBondContact O-OG1 3.27Å; C7-T10 PolarHBondContact O-N 2.98Å; C7-T10 VanDerWaalsContact O-N 3.16Å; V8-T10 PolarHBondContact O-N 3.03Å; T10-E13 PolarHBondContact O-N 3.08Å; T10-S14 PolarHBondContact O-N 3.12Å
11V90.2Very high86.1Confident12 Ų1254.8 Ų54.87%0.07332%0.324CS..Hα-helixtrans-70-36.3177.3172.30000111.3C7 V8 S14 F15 S27 Q30 L31 L34C7-V11 WeakPolarHBondContact O-CG2 3.43Å; C7-V11 PolarHBondContact O-N 2.99Å; V8-V11 PolarHBondContact O-N 3.11Å; V11-S14 WeakPolarHBondContact O-CB 3.47Å; V11-S14 PolarHBondContact O-N 2.96Å; V11-F15 PolarHBondContact O-N 3.02Å; V11-S27 WeakPolarHBondContact CG1-O 3.39Å; V11-Q30 HydrophobicContact CG1-CB 3.66Å; V11-L31 HydrophobicContact CG1-CB 4.07Å; V11-L31 HydrophobicContact CG1-CD1 4.44Å; V11-L34 HydrophobicContact CB-CD1 3.94Å; V11-L34 HydrophobicContact CG1-CD1 4.37Å; V11-L34 HydrophobicContact CG2-CD1 3.61Å
12F93.3Very high88.1Confident4 Ų449.8 Ų49.82%0.01829%0.294CS..Hα-helixtrans-63-44.5172.7-177.2-101.3000112.2V8 S9 S14 F15 V16 L31 V53 A58 L61 W62 L168V8-F12 WeakPolarHBondContact O-CB 3.25Å; V8-F12 PolarHBondContact O-N 3.2Å; S9-F12 PolarHBondContact O-N 3.3Å; F12-S14 VanDerWaalsContact C-N 3.28Å; F12-S14 PolarHBondContact O-N 2.92Å; F12-F15 HydrophobicContact CD2-CD1 4.43Å; F12-F15 HydrophobicContact CE2-CD1 4.43Å; F12-F15 WeakPolarHBondContact O-CB 3.29Å; F12-F15 PolarHBondContact O-N 3.09Å; F12-F15 VanDerWaalsContact O-N 3.16Å; F12-V16 HydrophobicContact CD1-CG2 4.11Å; F12-V16 HydrophobicContact CE1-CG2 3.7Å; F12-V16 HydrophobicContact CE2-CG2 4.34Å; F12-V16 HydrophobicContact CZ-CG2 3.84Å; F12-V16 WeakPolarHBondContact O-CG2 3.15Å; F12-V16 PolarHBondContact O-N 3.34Å; F12-L31 HydrophobicContact CB-CD1 4.21Å; F12-L31 HydrophobicContact CD2-CD2 3.91Å; F12-V53 HydrophobicContact CB-CG1 4.03Å; F12-V53 HydrophobicContact CD1-CG1 4.02Å; F12-V53 HydrophobicContact CD2-CG1 3.7Å; F12-V53 HydrophobicContact CE1-CG1 4.41Å; F12-V53 HydrophobicContact CE2-CG1 4.12Å; F12-V53 HydrophobicContact CG-CG1 3.63Å; F12-V53 HydrophobicContact CZ-CG1 4.45Å; F12-A58 HydrophobicContact CD1-CB 4.2Å; F12-A58 HydrophobicContact CE1-CB 3.53Å; F12-A58 HydrophobicContact CZ-CB 3.71Å; F12-L61 HydrophobicContact CZ-CD2 4.29Å; F12-W62 AromaticContact CE2-CH2 3.8Å; F12-W62 HydrophobicContact CE2-CH2 3.8Å; F12-W62 AromaticContact CE2-CZ2 3.88Å; F12-W62 HydrophobicContact CE2-CZ2 3.88Å; F12-W62 HydrophobicContact CZ-CH2 4.19Å; F12-W62 HydrophobicContact CZ-CZ2 4.09Å; F12-L168 HydrophobicContact CE2-CD2 4.47Å
13E91.9Very high89.7Confident65 Ų6544.2 Ų44.230%0.30427%0.269SS..Hα-helixtrans-62.9-35.3173.4-65.6-69.8122.300111.9S9 T10 V16 S17 K57S9-E13 WeakPolarHBondContact O-CG 3.15Å; S9-E13 PolarHBondContact O-N 3.05Å; T10-E13 PolarHBondContact O-N 3.08Å; E13-V16 PolarHBondContact O-N 3.26Å; E13-S17 WeakPolarHBondContact O-CB 3.2Å; E13-S17 PolarHBondContact O-N 2.87Å; E13-S17 PolarHBondContact O-OG 3.42Å; E13-K57 WeakPolarHBondContact OE1-CD 3.48Å; E13-K57 IonicContact OE1-NZ 2.84Å; E13-K57 IonicContact OE2-NZ 3.93Å; E13-K57 PolarHBondContact OE2-NZ 3.1Å
14S92.1Very high90.7Very high45 Ų4540 Ų4032%0.31524%0.24SC..Hα-helixtrans-63.2-41.7172.1-169.20000112T10 V11 F12 S17 A18T10-S14 PolarHBondContact O-N 3.12Å; V11-S14 WeakPolarHBondContact O-CB 3.47Å; V11-S14 PolarHBondContact O-N 2.96Å; F12-S14 VanDerWaalsContact C-N 3.28Å; F12-S14 PolarHBondContact O-N 2.92Å; S14-S17 WeakPolarHBondContact CA-OG 3.03Å; S14-S17 PolarHBondContact O-N 2.93Å; S14-S17 PolarHBondContact O-OG 3.1Å; S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 2.9Å
15F94.7Very high91.3Very high0 Ų036.6 Ų36.60%022%0.222CC..Hα-helixtrans-65.8-44.1174.7167.3-98.8000112.6V11 F12 S17 A18 I24 S27 F28 K164 L167 L168V11-F15 PolarHBondContact O-N 3.02Å; F12-F15 HydrophobicContact CD2-CD1 4.43Å; F12-F15 HydrophobicContact CE2-CD1 4.43Å; F12-F15 WeakPolarHBondContact O-CB 3.29Å; F12-F15 PolarHBondContact O-N 3.09Å; F12-F15 VanDerWaalsContact O-N 3.16Å; F15-S17 VanDerWaalsContact C-N 3.33Å; F15-S17 PolarHBondContact O-N 3.19Å; F15-A18 PolarHBondContact O-N 3.03Å; F15-I24 HydrophobicContact CD2-CG2 4.13Å; F15-I24 HydrophobicContact CE2-CG2 3.74Å; F15-S27 WeakPolarHBondContact CA-OG 3.47Å; F15-F28 HydrophobicContact CD2-CB 3.81Å; F15-F28 HydrophobicContact CD2-CD2 4.38Å; F15-F28 HydrophobicContact CE2-CB 3.77Å; F15-F28 AromaticContact CE2-CD2 3.88Å; F15-F28 HydrophobicContact CE2-CD2 3.88Å; F15-F28 HydrophobicContact CE2-CG 4.19Å; F15-F28 HydrophobicContact CZ-CD2 4.21Å; F15-K164 HydrophobicContact CE1-CB 4.1Å; F15-K164 HydrophobicContact CE1-CG 4.19Å; F15-K164 HydrophobicContact CE2-CB 4.39Å; F15-K164 HydrophobicContact CE2-CG 4.05Å; F15-K164 HydrophobicContact CZ-CB 3.69Å; F15-K164 HydrophobicContact CZ-CG 3.78Å; F15-K164 VanDerWaalsContact O-CE 3.26Å; F15-K164 WeakPolarHBondContact O-CE 3.48Å; F15-L167 HydrophobicContact CE2-CD1 4.09Å; F15-L168 HydrophobicContact CE1-CD1 4.08Å; F15-L168 HydrophobicContact CE1-CD2 3.75Å; F15-L168 HydrophobicContact CE1-CG 3.88Å; F15-L168 HydrophobicContact CZ-CD2 4.09Å; F15-L168 HydrophobicContact CZ-CG 4Å
16V94.2Very high91.8Very high27 Ų2733.2 Ų33.216%0.16421%0.207CC..Hα-helixtrans-63.1-39.2175.5171.90000111.2F12 E13 L141 K164F12-V16 HydrophobicContact CD1-CG2 4.11Å; F12-V16 HydrophobicContact CE1-CG2 3.7Å; F12-V16 HydrophobicContact CE2-CG2 4.34Å; F12-V16 HydrophobicContact CZ-CG2 3.84Å; F12-V16 WeakPolarHBondContact O-CG2 3.15Å; F12-V16 PolarHBondContact O-N 3.34Å; E13-V16 PolarHBondContact O-N 3.26Å; V16-L141 HydrophobicContact CG2-CD2 4.33Å; V16-K164 PolarHBondContact O-NZ 3.07Å
17S92.6Very high92.2Very high77 Ų7730.9 Ų30.954%0.53819%0.188SC..Hα-helixtrans-84.2-15.9-179.857.30000115.4E13 S14 F15 S19E13-S17 WeakPolarHBondContact O-CB 3.2Å; E13-S17 PolarHBondContact O-N 2.87Å; E13-S17 PolarHBondContact O-OG 3.42Å; S14-S17 WeakPolarHBondContact CA-OG 3.03Å; S14-S17 PolarHBondContact O-N 2.93Å; S14-S17 PolarHBondContact O-OG 3.1Å; F15-S17 VanDerWaalsContact C-N 3.33Å; F15-S17 PolarHBondContact O-N 3.19Å; S17-S19 PolarHBondContact O-N 2.66Å
18A94.2Very high92.7Very high10 Ų1030.2 Ų30.28%0.08318%0.182CC..  trans-60.4132.7179.100000112.3S14 F15 I24 K164S14-A18 WeakPolarHBondContact O-CB 3.42Å; S14-A18 PolarHBondContact O-N 2.9Å; F15-A18 PolarHBondContact O-N 3.03Å; A18-I24 HydrophobicContact CB-CB 4.45Å; A18-I24 HydrophobicContact CB-CG1 3.65Å; A18-K164 WeakPolarHBondContact O-CE 3.2Å; A18-K164 PolarHBondContact O-NZ 3.28Å
19S92.6Very high92.7Very high58 Ų5830.5 Ų30.541%0.40618%0.184SC..  trans-115.8-5.9-174.856.90000114.4S17 C160S17-S19 PolarHBondContact O-N 2.66Å; S19-C160 PolarHBondContact O-SG 3.05Å
20T93.9Very high92.8Very high51 Ų5129.9 Ų29.931%0.31318%0.179SC..SBendtrans-111.6150.917970.50000111.3R22 G23 I24T20-R22 PolarHBondContact O-N 2.99Å; T20-G23 PolarHBondContact O-N 2.73Å; T20-G23 PolarHBondContact OG1-N 3.31Å; T20-G23 VanDerWaalsContact OG1-N 3.14Å; T20-I24 WeakPolarHBondContact O-CG1 3.44Å; T20-I24 PolarHBondContact O-N 3.48Å
21F95.3Very high93Very high2 Ų225.3 Ų25.31%0.00915%0.151CC..Hα-helixtrans-55.6-54.2-178.6-169.5-170.1000111.4G23 I24 L25 A90 E112 F117 L163 V173 E175F21-G23 VanDerWaalsContact C-N 3.35Å; F21-G23 PolarHBondContact O-N 2.9Å; F21-I24 PolarHBondContact O-N 2.82Å; F21-L25 HydrophobicContact CD2-CD1 3.72Å; F21-L25 HydrophobicContact CD2-CG 4.11Å; F21-L25 HydrophobicContact CE2-CD1 3.56Å; F21-L25 HydrophobicContact CE2-CG 4.13Å; F21-L25 HydrophobicContact CZ-CD1 4.25Å; F21-L25 WeakPolarHBondContact O-CG 3.38Å; F21-L25 PolarHBondContact O-N 2.86Å; F21-L25 VanDerWaalsContact O-N 3.1Å; F21-A90 HydrophobicContact CZ-CB 4.48Å; F21-E112 HydrophobicContact CE1-CB 4.4Å; F21-E112 HydrophobicContact CE1-CG 4.01Å; F21-E112 HydrophobicContact CZ-CB 4.43Å; F21-E112 HydrophobicContact CZ-CG 4.46Å; F21-F117 HydrophobicContact CB-CD1 4.45Å; F21-F117 HydrophobicContact CB-CD2 4.08Å; F21-F117 HydrophobicContact CB-CE2 4.22Å; F21-F117 HydrophobicContact CB-CG 4.21Å; F21-F117 HydrophobicContact CB-CZ 4.46Å; F21-F117 HydrophobicContact CD1-CD1 4.01Å; F21-F117 AromaticContact CD1-CE1 3.76Å; F21-F117 HydrophobicContact CD1-CE1 3.76Å; F21-F117 HydrophobicContact CD1-CZ 4.13Å; F21-F117 HydrophobicContact CD2-CE1 4.1Å; F21-F117 AromaticContact CD2-CE2 3.89Å; F21-F117 HydrophobicContact CD2-CE2 3.89Å; F21-F117 AromaticContact CD2-CZ 3.61Å; F21-F117 HydrophobicContact CD2-CZ 3.61Å; F21-F117 HydrophobicContact CE1-CD1 4.43Å; F21-F117 AromaticContact CE1-CE1 3.81Å; F21-F117 HydrophobicContact CE1-CE1 3.81Å; F21-F117 HydrophobicContact CE1-CZ 4.24Å; F21-F117 HydrophobicContact CE2-CE1 4.12Å; F21-F117 HydrophobicContact CE2-CE2 4.39Å; F21-F117 AromaticContact CE2-CZ 3.69Å; F21-F117 HydrophobicContact CE2-CZ 3.69Å; F21-F117 HydrophobicContact CG-CD1 4.2Å; F21-F117 HydrophobicContact CG-CD2 4.32Å; F21-F117 AromaticContact CG-CE1 3.9Å; F21-F117 HydrophobicContact CG-CE1 3.9Å; F21-F117 HydrophobicContact CG-CE2 4.04Å; F21-F117 HydrophobicContact CG-CG 4.4Å; F21-F117 AromaticContact CG-CZ 3.82Å; F21-F117 HydrophobicContact CG-CZ 3.82Å; F21-F117 AromaticContact CZ-CE1 3.99Å; F21-F117 HydrophobicContact CZ-CE1 3.99Å; F21-F117 HydrophobicContact CZ-CZ 4.02Å; F21-L163 HydrophobicContact CD2-CD2 3.4Å; F21-L163 HydrophobicContact CE2-CD1 4.14Å; F21-L163 HydrophobicContact CE2-CD2 3.68Å; F21-V173 HydrophobicContact CE2-CG1 4.05Å; F21-V173 HydrophobicContact CZ-CG1 4.05Å; F21-E175 HydrophobicContact CD1-CB 4.2Å; F21-E175 HydrophobicContact CE1-CB 3.55Å; F21-E175 HydrophobicContact CZ-CB 3.79Å
22R91.8Very high93Very high96 Ų9625.2 Ų25.236%0.36215%0.15SC..Hα-helixtrans-58-42175.1-167.5-175.4-167.981.95.1112.8T20 L25 T26 E530T20-R22 PolarHBondContact O-N 2.99Å; R22-L25 PolarHBondContact O-N 2.95Å; R22-T26 VanDerWaalsContact O-CB 3.28Å; R22-T26 WeakPolarHBondContact O-CB 3.48Å; R22-T26 PolarHBondContact O-N 2.75Å; R22-T26 PolarHBondContact O-OG1 3.44Å; R22-E530 IonicContact CZ-OE1 2.72Å; R22-E530 IonicContact NH1-OE1 3.77Å; R22-E530 PolarHBondContact NH1-OE1 2.64Å; R22-E530 IonicContact NH1-OE2 2.78Å; R22-E530 IonicContact NH2-OE1 3.36Å; R22-E530 PolarHBondContact NH2-OE1 3.08Å
23G92.7Very high92.8Very high22 Ų2225.3 Ų25.323%0.22715%0.152CC..Hα-helixtrans-64.6-41.4-179.600000113T20 F21 S27T20-G23 PolarHBondContact O-N 2.73Å; T20-G23 PolarHBondContact OG1-N 3.31Å; T20-G23 VanDerWaalsContact OG1-N 3.14Å; F21-G23 VanDerWaalsContact C-N 3.35Å; F21-G23 PolarHBondContact O-N 2.9Å; G23-S27 WeakPolarHBondContact O-CB 3.22Å; G23-S27 PolarHBondContact O-N 2.81Å; G23-S27 PolarHBondContact O-OG 3.13Å
24I96.3Very high92.6Very high0 Ų023 Ų230%014%0.141CC..Hα-helixtrans-65.1-48.3175.6-65.5164.7000110.2F15 A18 T20 F21 T26 S27 F28 C160 L163 K164 L167F15-I24 HydrophobicContact CD2-CG2 4.13Å; F15-I24 HydrophobicContact CE2-CG2 3.74Å; A18-I24 HydrophobicContact CB-CB 4.45Å; A18-I24 HydrophobicContact CB-CG1 3.65Å; T20-I24 WeakPolarHBondContact O-CG1 3.44Å; T20-I24 PolarHBondContact O-N 3.48Å; F21-I24 PolarHBondContact O-N 2.82Å; I24-T26 VanDerWaalsContact C-N 3.33Å; I24-T26 PolarHBondContact O-N 2.92Å; I24-S27 PolarHBondContact O-OG 2.92Å; I24-S27 VanDerWaalsContact O-OG 3.13Å; I24-F28 VanDerWaalsContact O-CB 3.26Å; I24-F28 WeakPolarHBondContact O-CB 3.35Å; I24-F28 PolarHBondContact O-N 2.9Å; I24-C160 HydrophobicContact CD1-CB 3.7Å; I24-L163 HydrophobicContact CB-CD2 3.97Å; I24-L163 HydrophobicContact CD1-CD2 4.14Å; I24-L163 HydrophobicContact CG2-CD2 3.72Å; I24-L163 HydrophobicContact CG2-CG 3.96Å; I24-K164 HydrophobicContact CD1-CG 4.33Å; I24-K164 HydrophobicContact CG1-CG 4.43Å; I24-K164 HydrophobicContact CG2-CG 3.81Å; I24-L167 HydrophobicContact CG2-CD1 3.7Å
25L94.2Very high92.5Very high5 Ų521.7 Ų21.73%0.02613%0.132CC..Hα-helixtrans-64.3-36179.2-67.7174.1000112.8F21 R22 S29 L163 L167 V173 E175F21-L25 HydrophobicContact CD2-CD1 3.72Å; F21-L25 HydrophobicContact CD2-CG 4.11Å; F21-L25 HydrophobicContact CE2-CD1 3.56Å; F21-L25 HydrophobicContact CE2-CG 4.13Å; F21-L25 HydrophobicContact CZ-CD1 4.25Å; F21-L25 WeakPolarHBondContact O-CG 3.38Å; F21-L25 PolarHBondContact O-N 2.86Å; F21-L25 VanDerWaalsContact O-N 3.1Å; R22-L25 PolarHBondContact O-N 2.95Å; L25-S29 WeakPolarHBondContact O-CB 3.48Å; L25-S29 PolarHBondContact O-N 3.28Å; L25-L163 HydrophobicContact CD2-CD1 4.35Å; L25-L167 HydrophobicContact CD2-CD1 3.93Å; L25-L167 HydrophobicContact CD2-CD2 3.87Å; L25-V173 HydrophobicContact CD2-CB 4.31Å; L25-E175 HydrophobicContact CD1-CB 4.43Å; L25-E175 HydrophobicContact CD1-CG 4.37Å
26T91.8Very high92.2Very high15 Ų1527.8 Ų27.89%0.09216%0.164CC..Hα-helixtrans-71.7-46.4179.6-56.60000111.9R22 I24 F28 S29 Q30 R526R22-T26 VanDerWaalsContact O-CB 3.28Å; R22-T26 WeakPolarHBondContact O-CB 3.48Å; R22-T26 PolarHBondContact O-N 2.75Å; R22-T26 PolarHBondContact O-OG1 3.44Å; I24-T26 VanDerWaalsContact C-N 3.33Å; I24-T26 PolarHBondContact O-N 2.92Å; T26-F28 VanDerWaalsContact C-N 3.34Å; T26-S29 WeakPolarHBondContact O-CB 3.28Å; T26-S29 PolarHBondContact O-N 2.94Å; T26-Q30 WeakPolarHBondContact O-CG 3.36Å; T26-Q30 PolarHBondContact O-N 3.37Å; T26-R526 HydrophobicContact CG2-CB 3.83Å; T26-R526 HydrophobicContact CG2-CG 4.34Å
27S92.7Very high92Very high4 Ų427.1 Ų27.13%0.02816%0.16CC..Hα-helixtrans-67.5-34.2177.550.70000112.2V11 F15 G23 I24 Q30 L31V11-S27 WeakPolarHBondContact CG1-O 3.39Å; F15-S27 WeakPolarHBondContact CA-OG 3.47Å; G23-S27 WeakPolarHBondContact O-CB 3.22Å; G23-S27 PolarHBondContact O-N 2.81Å; G23-S27 PolarHBondContact O-OG 3.13Å; I24-S27 PolarHBondContact O-OG 2.92Å; I24-S27 VanDerWaalsContact O-OG 3.13Å; S27-Q30 WeakPolarHBondContact O-CB 2.97Å; S27-Q30 PolarHBondContact O-N 2.97Å; S27-L31 PolarHBondContact O-N 3.45Å
28F94.4Very high91.6Very high11 Ų1126.5 Ų26.55%0.04815%0.151CC..Hα-helixtrans-65-43.1170.5-176.4-106.4000112.9F15 I24 T26 Q30 L31 C32 L39 F45 L49 L167F15-F28 HydrophobicContact CD2-CB 3.81Å; F15-F28 HydrophobicContact CD2-CD2 4.38Å; F15-F28 HydrophobicContact CE2-CB 3.77Å; F15-F28 AromaticContact CE2-CD2 3.88Å; F15-F28 HydrophobicContact CE2-CD2 3.88Å; F15-F28 HydrophobicContact CE2-CG 4.19Å; F15-F28 HydrophobicContact CZ-CD2 4.21Å; I24-F28 VanDerWaalsContact O-CB 3.26Å; I24-F28 WeakPolarHBondContact O-CB 3.35Å; I24-F28 PolarHBondContact O-N 2.9Å; T26-F28 VanDerWaalsContact C-N 3.34Å; F28-Q30 VanDerWaalsContact C-N 3.27Å; F28-Q30 PolarHBondContact O-N 3.11Å; F28-L31 WeakPolarHBondContact O-CB 3.37Å; F28-L31 PolarHBondContact O-N 3.33Å; F28-L31 VanDerWaalsContact O-N 3.09Å; F28-C32 PolarHBondContact O-N 3.26Å; F28-C32 PolarHBondContact O-SG 3.07Å; F28-C32 VanDerWaalsContact O-SG 3.33Å; F28-L39 HydrophobicContact CE1-CD2 4.43Å; F28-F45 HydrophobicContact CE1-CZ 4.48Å; F28-F45 HydrophobicContact CE2-CE1 4.46Å; F28-F45 HydrophobicContact CE2-CZ 4.15Å; F28-F45 AromaticContact CZ-CE1 3.97Å; F28-F45 HydrophobicContact CZ-CE1 3.97Å; F28-F45 AromaticContact CZ-CZ 3.54Å; F28-F45 HydrophobicContact CZ-CZ 3.54Å; F28-L49 HydrophobicContact CE2-CD2 4.39Å; F28-L167 HydrophobicContact CB-CD1 4.16Å; F28-L167 HydrophobicContact CD1-CB 4.07Å; F28-L167 HydrophobicContact CD1-CD1 4.31Å; F28-L167 HydrophobicContact CD1-CD2 3.83Å; F28-L167 HydrophobicContact CD1-CG 4.29Å; F28-L167 HydrophobicContact CD2-CB 3.83Å; F28-L167 HydrophobicContact CE1-CB 3.97Å; F28-L167 HydrophobicContact CE1-CD2 3.89Å; F28-L167 HydrophobicContact CE1-CG 4.45Å; F28-L167 HydrophobicContact CE2-CB 3.74Å; F28-L167 WeakPolarHBondContact CE2-O 3.4Å; F28-L167 HydrophobicContact CG-CB 3.98Å; F28-L167 HydrophobicContact CG-CD1 4.11Å; F28-L167 HydrophobicContact CG-CD2 4.42Å; F28-L167 HydrophobicContact CG-CG 4.4Å; F28-L167 HydrophobicContact CZ-CB 3.79Å; F28-L167 WeakPolarHBondContact CZ-O 3.35Å
29S91.1Very high91.3Very high13 Ų1327.1 Ų27.19%0.09115%0.152CC..Hα-helixtrans-59.3-39.6175-166.90000111.7L25 T26 C32 C33 A523L25-S29 WeakPolarHBondContact O-CB 3.48Å; L25-S29 PolarHBondContact O-N 3.28Å; T26-S29 WeakPolarHBondContact O-CB 3.28Å; T26-S29 PolarHBondContact O-N 2.94Å; S29-C32 PolarHBondContact O-N 3.33Å; S29-C33 WeakPolarHBondContact O-CB 3.02Å; S29-C33 PolarHBondContact O-N 3.41Å; S29-A523 WeakPolarHBondContact O-CB 3.32Å
30Q90.4Very high90.9Very high14 Ų1427 Ų277%0.06515%0.151CC..Hα-helixtrans-64.5-39.7173.5-73179.9-30.800112.8V11 T26 S27 F28 C33 L34 A523 R526 L616V11-Q30 HydrophobicContact CG1-CB 3.66Å; T26-Q30 WeakPolarHBondContact O-CG 3.36Å; T26-Q30 PolarHBondContact O-N 3.37Å; S27-Q30 WeakPolarHBondContact O-CB 2.97Å; S27-Q30 PolarHBondContact O-N 2.97Å; F28-Q30 VanDerWaalsContact C-N 3.27Å; F28-Q30 PolarHBondContact O-N 3.11Å; Q30-C33 PolarHBondContact O-N 2.86Å; Q30-L34 WeakPolarHBondContact O-CB 3.49Å; Q30-L34 WeakPolarHBondContact O-CG 3.31Å; Q30-L34 PolarHBondContact O-N 3.33Å; Q30-A523 HydrophobicContact CG-CB 4.23Å; Q30-A523 WeakPolarHBondContact CG-O 3.46Å; Q30-A523 PolarHBondContact NE2-O 3.41Å; Q30-R526 VanDerWaalsContact NE2-CG 3.33Å; Q30-L616 HydrophobicContact CB-CD2 4.31Å; Q30-L616 HydrophobicContact CG-CD2 3.93Å
31L91.9Very high90.6Very high0 Ų026.5 Ų26.50%015%0.147CC..Hα-helixtrans-64.4-44.7177.1-170.163.6000111.2V8 V11 F12 S27 F28 L34 C35 L49 V53V8-L31 HydrophobicContact CG1-CD1 4.12Å; V11-L31 HydrophobicContact CG1-CB 4.07Å; V11-L31 HydrophobicContact CG1-CD1 4.44Å; F12-L31 HydrophobicContact CB-CD1 4.21Å; F12-L31 HydrophobicContact CD2-CD2 3.91Å; S27-L31 PolarHBondContact O-N 3.45Å; F28-L31 WeakPolarHBondContact O-CB 3.37Å; F28-L31 PolarHBondContact O-N 3.33Å; F28-L31 VanDerWaalsContact O-N 3.09Å; L31-L34 PolarHBondContact O-N 3.34Å; L31-C35 WeakPolarHBondContact O-CB 3.28Å; L31-C35 PolarHBondContact O-N 3.16Å; L31-C35 PolarHBondContact O-SG 3.3Å; L31-L49 HydrophobicContact CD2-CD1 3.8Å; L31-L49 HydrophobicContact CG-CD1 4.05Å; L31-V53 HydrophobicContact CD1-CG2 3.97Å; L31-V53 HydrophobicContact CD2-CG2 4.48Å
32C91.7Very high90.3Very high10 Ų1028.5 Ų28.57%0.06816%0.156CC..Hα-helixtrans-62.5-42.5175.3-62.30000112.1F28 S29 C35 N36 L37F28-C32 PolarHBondContact O-N 3.26Å; F28-C32 PolarHBondContact O-SG 3.07Å; F28-C32 VanDerWaalsContact O-SG 3.33Å; S29-C32 PolarHBondContact O-N 3.33Å; C32-C35 PolarHBondContact O-N 3.01Å; C32-N36 PolarHBondContact O-N 3.28Å; C32-L37 HydrophobicContact CB-CB 4.26Å; C32-L37 PolarHBondContact O-N 3.18Å
33C88.3Confident90.1Very high7 Ų725.9 Ų25.95%0.04715%0.148CC..Hα-helixtrans-60.8-46.6175.2-177.30000112.5S29 Q30 C35 N36 F520 A523S29-C33 WeakPolarHBondContact O-CB 3.02Å; S29-C33 PolarHBondContact O-N 3.41Å; Q30-C33 PolarHBondContact O-N 2.86Å; C33-C35 PolarHBondContact O-N 2.96Å; C33-N36 PolarHBondContact O-N 3.47Å; C33-F520 HydrophobicContact CB-CD2 4.4Å; C33-F520 HydrophobicContact CB-CE2 4.43Å; C33-F520 WeakPolarHBondContact O-CZ 3.38Å; C33-F520 PolarHBondContact SG-O 2.82Å; C33-A523 HydrophobicContact CB-CB 3.82Å
34L88Confident90.1Very high15 Ų1528.6 Ų28.68%0.07915%0.154CC..Hα-helixtrans-66.4-35.7179.1-81.8169.7000113.7L4 C7 V8 V11 Q30 L31 A612 T613 L616L4-L34 HydrophobicContact CD1-CD2 3.77Å; C7-L34 HydrophobicContact CB-CD2 4.44Å; V8-L34 HydrophobicContact CG2-CB 3.9Å; V8-L34 HydrophobicContact CG2-CD1 4.35Å; V11-L34 HydrophobicContact CB-CD1 3.94Å; V11-L34 HydrophobicContact CG1-CD1 4.37Å; V11-L34 HydrophobicContact CG2-CD1 3.61Å; Q30-L34 WeakPolarHBondContact O-CB 3.49Å; Q30-L34 WeakPolarHBondContact O-CG 3.31Å; Q30-L34 PolarHBondContact O-N 3.33Å; L31-L34 PolarHBondContact O-N 3.34Å; L34-A612 HydrophobicContact CD2-CB 4.07Å; L34-T613 HydrophobicContact CD2-CG2 3.82Å; L34-L616 HydrophobicContact CD1-CD1 3.68Å; L34-L616 HydrophobicContact CD2-CD1 3.62Å; L34-L616 HydrophobicContact CG-CD1 3.76Å
35C88.8Confident90Very high18 Ų1828.7 Ų28.712%0.12215%0.154CC..THydrogen-bonded Turntrans-93.23.5-176.3-580000113.1L31 C32 C33 L37 S52L31-C35 WeakPolarHBondContact O-CB 3.28Å; L31-C35 PolarHBondContact O-N 3.16Å; L31-C35 PolarHBondContact O-SG 3.3Å; C32-C35 PolarHBondContact O-N 3.01Å; C33-C35 PolarHBondContact O-N 2.96Å; C35-L37 VanDerWaalsContact C-N 3.31Å; C35-L37 HydrophobicContact CB-CD1 3.73Å; C35-L37 HydrophobicContact CB-CD2 4.19Å; C35-L37 HydrophobicContact CB-CG 3.6Å; C35-L37 PolarHBondContact O-N 2.75Å; C35-S52 VanDerWaalsContact SG-CB 3.57Å
36N88.7Confident90.1Very high128 Ų12828.6 Ų28.668%0.68415%0.154SC*.THydrogen-bonded Turntrans50.146.4-174.4-162.453.2000113.6C32 C33 F520C32-N36 PolarHBondContact O-N 3.28Å; C33-N36 PolarHBondContact O-N 3.47Å; N36-F520 WeakPolarHBondContact OD1-CZ 3.49Å
37L89.9Confident90.2Very high13 Ų1332.4 Ų32.47%0.06817%0.167CC..  trans-93129.6-175.7-58172000111.3C32 C35 F45 R48 L49C32-L37 HydrophobicContact CB-CB 4.26Å; C32-L37 PolarHBondContact O-N 3.18Å; C35-L37 VanDerWaalsContact C-N 3.31Å; C35-L37 HydrophobicContact CB-CD1 3.73Å; C35-L37 HydrophobicContact CB-CD2 4.19Å; C35-L37 HydrophobicContact CB-CG 3.6Å; C35-L37 PolarHBondContact O-N 2.75Å; L37-F45 HydrophobicContact CB-CD2 4.2Å; L37-F45 HydrophobicContact CB-CE2 3.69Å; L37-F45 HydrophobicContact CD1-CE2 4.09Å; L37-F45 HydrophobicContact CD1-CZ 4.2Å; L37-F45 HydrophobicContact CG-CE2 4.46Å; L37-R48 HydrophobicContact CD2-CB 3.54Å; L37-L49 HydrophobicContact CD1-CB 3.7Å; L37-L49 HydrophobicContact CD1-CD1 3.49Å; L37-L49 VanDerWaalsContact CD1-CD1 3.49Å; L37-L49 HydrophobicContact CD1-CG 4.11Å
38D85.9Confident90.3Very high65 Ų6537.3 Ų37.335%0.34819%0.185SC..  trans-100.1127.5172.7179.627.2000111.5S40 F45D38-S40 VanDerWaalsContact C-N 3.34Å; D38-S40 PolarHBondContact OD1-N 3.45Å; D38-S40 PolarHBondContact OD1-OG 3.39Å; D38-S40 WeakPolarHBondContact OD2-CB 3.28Å; D38-S40 PolarHBondContact OD2-OG 3.16Å; D38-F45 WeakPolarHBondContact O-CD2 3.32Å
39L86.6Confident90.4Very high22 Ų2236.8 Ų36.812%0.11518%0.183CC..SBendtrans-79.9-10.9176.7-72.3160.9000112.8F28 D41 F45 K107 E172F28-L39 HydrophobicContact CE1-CD2 4.43Å; L39-D41 VanDerWaalsContact C-N 3.31Å; L39-F45 HydrophobicContact CD2-CD2 3.81Å; L39-F45 HydrophobicContact CD2-CE1 4.3Å; L39-F45 HydrophobicContact CD2-CE2 3.49Å; L39-F45 VanDerWaalsContact CD2-CE2 3.49Å; L39-F45 HydrophobicContact CD2-CG 4.34Å; L39-F45 HydrophobicContact CD2-CZ 3.79Å; L39-F45 HydrophobicContact CG-CD2 4.32Å; L39-F45 HydrophobicContact CG-CE2 3.98Å; L39-K107 PolarHBondContact O-NZ 3.22Å; L39-E172 HydrophobicContact CB-CG 4.13Å; L39-E172 HydrophobicContact CD1-CG 4.2Å; L39-E172 HydrophobicContact CD2-CG 4.36Å; L39-E172 HydrophobicContact CG-CG 4.47Å
40S84.1Confident90.5Very high55 Ų5539.2 Ų39.239%0.38519%0.19SC..SBendtrans-58.8-48.6170.6-33.10000110.2D38 H42 R516D38-S40 VanDerWaalsContact C-N 3.34Å; D38-S40 PolarHBondContact OD1-N 3.45Å; D38-S40 PolarHBondContact OD1-OG 3.39Å; D38-S40 WeakPolarHBondContact OD2-CB 3.28Å; D38-S40 PolarHBondContact OD2-OG 3.16Å; S40-H42 PolarHBondContact O-N 2.94Å; S40-R516 VanDerWaalsContact CA-NH1 3.32Å; S40-R516 VanDerWaalsContact CB-NH1 3.3Å; S40-R516 VanDerWaalsContact N-CZ 3.3Å; S40-R516 PolarHBondContact OG-NH1 3.13Å
41D88.2Confident90.7Very high41 Ų4144 Ų4422%0.21922%0.216CC..  trans-80.160.9-177.5-168.2-5.2000111.8L39 F43 H44 F45 R48L39-D41 VanDerWaalsContact C-N 3.31Å; D41-F43 PolarHBondContact O-N 2.8Å; D41-F43 VanDerWaalsContact O-N 3.11Å; D41-H44 PolarHBondContact O-N 3.39Å; D41-H44 IonicContact OD1-CE1 2.66Å; D41-H44 IonicContact OD1-CG 3.75Å; D41-H44 PolarHBondContact OD1-N 3.37Å; D41-H44 IonicContact OD1-ND1 3.23Å; D41-H44 PolarHBondContact OD1-ND1 2.79Å; D41-H44 IonicContact OD2-CG 2.74Å; D41-H44 IonicContact OD2-ND1 3.83Å; D41-H44 PolarHBondContact OD2-ND1 3.49Å; D41-F45 VanDerWaalsContact O-CB 3.31Å; D41-F45 WeakPolarHBondContact O-CB 3.22Å; D41-F45 PolarHBondContact O-N 3.04Å; D41-R48 IonicContact OD2-CZ 2.85Å; D41-R48 IonicContact OD2-NH1 3.42Å; D41-R48 PolarHBondContact OD2-NH1 2.94Å; D41-R48 IonicContact OD2-NH2 3.68Å; D41-R48 PolarHBondContact OD2-NH2 2.83Å
42H88.2Confident90.7Very high44 Ų4446 Ų4620%0.20423%0.23CC..Hα-helixtrans-55.3-28.4-178.967.1105.2000113.3S40 G105 C106 K107S40-H42 PolarHBondContact O-N 2.94Å; H42-G105 PolarHBondContact CE1-O 3.49Å; H42-C106 PolarHBondContact ND1-O 3.13Å; H42-K107 HydrophobicContact CB-CD 3.81Å
43F87.8Confident90.7Very high42 Ų4245.6 Ų45.618%0.18423%0.227CC..Hα-helixtrans-70.6-44.3-180-163.4-94.4000112.1D41 Q77D41-F43 PolarHBondContact O-N 2.8Å; D41-F43 VanDerWaalsContact O-N 3.11Å; F43-Q77 HydrophobicContact CD2-CB 4.49Å; F43-Q77 HydrophobicContact CE2-CB 3.8Å; F43-Q77 HydrophobicContact CZ-CB 4.46Å
44H92.5Very high90.7Very high79 Ų7949.4 Ų49.437%0.36625%0.251SS..Hα-helixtrans-94-10.9178.7-53.296.7000113.9D41 Y46 Y47 R48D41-H44 PolarHBondContact O-N 3.39Å; D41-H44 IonicContact OD1-CE1 2.66Å; D41-H44 IonicContact OD1-CG 3.75Å; D41-H44 PolarHBondContact OD1-N 3.37Å; D41-H44 IonicContact OD1-ND1 3.23Å; D41-H44 PolarHBondContact OD1-ND1 2.79Å; D41-H44 IonicContact OD2-CG 2.74Å; D41-H44 IonicContact OD2-ND1 3.83Å; D41-H44 PolarHBondContact OD2-ND1 3.49Å; H44-Y46 PolarHBondContact O-N 3.15Å; H44-Y47 PolarHBondContact O-N 2.95Å; H44-R48 WeakPolarHBondContact O-CG 3.38Å; H44-R48 PolarHBondContact O-N 3.05Å
45F95.1Very high90.6Very high1 Ų149.6 Ų49.60%0.00425%0.253CS..Hα-helixtrans-50.5-54.3-174.8177.4-91.5000113.2F28 L37 D38 L39 D41 Y47 R48 L49 L167F28-F45 HydrophobicContact CE1-CZ 4.48Å; F28-F45 HydrophobicContact CE2-CE1 4.46Å; F28-F45 HydrophobicContact CE2-CZ 4.15Å; F28-F45 AromaticContact CZ-CE1 3.97Å; F28-F45 HydrophobicContact CZ-CE1 3.97Å; F28-F45 AromaticContact CZ-CZ 3.54Å; F28-F45 HydrophobicContact CZ-CZ 3.54Å; L37-F45 HydrophobicContact CB-CD2 4.2Å; L37-F45 HydrophobicContact CB-CE2 3.69Å; L37-F45 HydrophobicContact CD1-CE2 4.09Å; L37-F45 HydrophobicContact CD1-CZ 4.2Å; L37-F45 HydrophobicContact CG-CE2 4.46Å; D38-F45 WeakPolarHBondContact O-CD2 3.32Å; L39-F45 HydrophobicContact CD2-CD2 3.81Å; L39-F45 HydrophobicContact CD2-CE1 4.3Å; L39-F45 HydrophobicContact CD2-CE2 3.49Å; L39-F45 VanDerWaalsContact CD2-CE2 3.49Å; L39-F45 HydrophobicContact CD2-CG 4.34Å; L39-F45 HydrophobicContact CD2-CZ 3.79Å; L39-F45 HydrophobicContact CG-CD2 4.32Å; L39-F45 HydrophobicContact CG-CE2 3.98Å; D41-F45 VanDerWaalsContact O-CB 3.31Å; D41-F45 WeakPolarHBondContact O-CB 3.22Å; D41-F45 PolarHBondContact O-N 3.04Å; F45-Y47 PolarHBondContact O-N 3.18Å; F45-R48 PolarHBondContact O-N 3.4Å; F45-L49 HydrophobicContact CE1-CB 4.43Å; F45-L49 HydrophobicContact CE1-CD2 3.82Å; F45-L49 HydrophobicContact CZ-CD2 4.14Å; F45-L49 WeakPolarHBondContact O-CB 3.24Å; F45-L49 PolarHBondContact O-N 2.61Å; F45-L167 WeakPolarHBondContact CE1-O 3.19Å
46Y95.6Very high90.2Very high4 Ų457.1 Ų57.12%0.01628%0.279CS..Hα-helixtrans-58.4-46.5-178.1167.2-106000111.7H44 R48 L49 R50 W62 L65 D66 M69 L169H44-Y46 PolarHBondContact O-N 3.15Å; Y46-R48 PolarHBondContact O-N 2.85Å; Y46-L49 PolarHBondContact O-N 3.02Å; Y46-R50 VanDerWaalsContact O-CB 3.29Å; Y46-R50 WeakPolarHBondContact O-CB 3.14Å; Y46-R50 PolarHBondContact O-N 3.36Å; Y46-W62 AromaticContact CE2-CE3 3.95Å; Y46-W62 HydrophobicContact CE2-CE3 3.95Å; Y46-W62 HydrophobicContact CE2-CZ3 4.3Å; Y46-W62 PolarHBondContact OH-O 3.23Å; Y46-L65 HydrophobicContact CE2-CB 4.1Å; Y46-L65 HydrophobicContact CE2-CD1 4.08Å; Y46-D66 WeakPolarHBondContact CE1-OD1 3.44Å; Y46-D66 PolarHBondContact OH-OD1 2.84Å; Y46-M69 HydrophobicContact CD1-CE 3.54Å; Y46-M69 HydrophobicContact CD1-SD 3.87Å; Y46-M69 HydrophobicContact CE1-CE 3.96Å; Y46-M69 HydrophobicContact CE1-SD 4.13Å; Y46-M69 HydrophobicContact CG-CE 3.91Å; Y46-L169 HydrophobicContact CD2-CD2 4.1Å; Y46-L169 HydrophobicContact CG-CD2 4.4Å
47Y94.6Very high89.8Confident94 Ų9455 Ų5537%0.36926%0.264SS..Hα-helixtrans-65.3-39.8-180-63.7-69.5000112.3H44 F45 N51 M69H44-Y47 PolarHBondContact O-N 2.95Å; F45-Y47 PolarHBondContact O-N 3.18Å; Y47-N51 WeakPolarHBondContact O-CB 3.45Å; Y47-N51 PolarHBondContact O-N 2.64Å; Y47-N51 PolarHBondContact O-ND2 3.14Å; Y47-M69 HydrophobicContact CE1-SD 4.5Å; Y47-M69 HydrophobicContact CE2-SD 4.26Å; Y47-M69 PolarHBondContact OH-SD 3.15Å; Y47-M69 VanDerWaalsContact OH-SD 3.35Å
48R95.6Very high89.9Confident108 Ų10854.4 Ų54.441%0.40826%0.26SS..Hα-helixtrans-63.5-48.7173.5-69.5-176.4-175.5141.213.8111.3L37 D41 H44 F45 Y46 R50 N51 S52L37-R48 HydrophobicContact CD2-CB 3.54Å; D41-R48 IonicContact OD2-CZ 2.85Å; D41-R48 IonicContact OD2-NH1 3.42Å; D41-R48 PolarHBondContact OD2-NH1 2.94Å; D41-R48 IonicContact OD2-NH2 3.68Å; D41-R48 PolarHBondContact OD2-NH2 2.83Å; H44-R48 WeakPolarHBondContact O-CG 3.38Å; H44-R48 PolarHBondContact O-N 3.05Å; F45-R48 PolarHBondContact O-N 3.4Å; Y46-R48 PolarHBondContact O-N 2.85Å; R48-R50 PolarHBondContact O-N 2.69Å; R48-N51 PolarHBondContact O-N 3.24Å; R48-S52 PolarHBondContact O-N 3.24Å; R48-S52 PolarHBondContact O-OG 3.35Å; R48-S52 VanDerWaalsContact O-OG 3.09Å
49L94.8Very high90.2Very high0 Ų057.3 Ų57.30%027%0.27CS..Hα-helixtrans-56.7-49.9177.9174.957.7000112.1F28 L31 L37 F45 Y46 N51 S52 V53 L168F28-L49 HydrophobicContact CE2-CD2 4.39Å; L31-L49 HydrophobicContact CD2-CD1 3.8Å; L31-L49 HydrophobicContact CG-CD1 4.05Å; L37-L49 HydrophobicContact CD1-CB 3.7Å; L37-L49 HydrophobicContact CD1-CD1 3.49Å; L37-L49 VanDerWaalsContact CD1-CD1 3.49Å; L37-L49 HydrophobicContact CD1-CG 4.11Å; F45-L49 HydrophobicContact CE1-CB 4.43Å; F45-L49 HydrophobicContact CE1-CD2 3.82Å; F45-L49 HydrophobicContact CZ-CD2 4.14Å; F45-L49 WeakPolarHBondContact O-CB 3.24Å; F45-L49 PolarHBondContact O-N 2.61Å; Y46-L49 PolarHBondContact O-N 3.02Å; L49-N51 VanDerWaalsContact C-N 3.31Å; L49-N51 PolarHBondContact O-N 3.02Å; L49-S52 PolarHBondContact O-N 3.23Å; L49-V53 HydrophobicContact CD1-CG2 3.83Å; L49-V53 WeakPolarHBondContact O-CG2 3.4Å; L49-V53 PolarHBondContact O-N 2.74Å; L49-L168 HydrophobicContact CD2-CD2 3.62Å
50R94.5Very high90.5Very high63 Ų6359.1 Ų59.124%0.23828%0.284CS..Hα-helixtrans-54.8-46.5175.7172.6-178.4-178.6-167.915.6111.9Y46 R48 S52 V53 W62 D63 D66Y46-R50 VanDerWaalsContact O-CB 3.29Å; Y46-R50 WeakPolarHBondContact O-CB 3.14Å; Y46-R50 PolarHBondContact O-N 3.36Å; R48-R50 PolarHBondContact O-N 2.69Å; R50-S52 VanDerWaalsContact C-N 3.31Å; R50-S52 PolarHBondContact O-N 2.75Å; R50-V53 CarbonylContact O-C 3.54Å; R50-V53 PolarHBondContact O-N 2.7Å; R50-W62 HydrophobicContact CB-CD2 4.33Å; R50-W62 HydrophobicContact CB-CG 4.37Å; R50-W62 HydrophobicContact CG-CB 4.04Å; R50-W62 HydrophobicContact CG-CD2 4.18Å; R50-W62 HydrophobicContact CG-CG 3.71Å; R50-D63 IonicContact NH2-OD1 3.5Å; R50-D66 IonicContact CZ-OD1 3.85Å; R50-D66 IonicContact CZ-OD2 3.38Å; R50-D66 IonicContact NE-OD1 3.82Å; R50-D66 IonicContact NH1-OD1 3.52Å; R50-D66 PolarHBondContact NH1-OD1 3.09Å; R50-D66 IonicContact NH1-OD2 3.26Å; R50-D66 PolarHBondContact NH1-OD2 3.17Å; R50-D66 IonicContact NH2-OD1 2.91Å; R50-D66 IonicContact NH2-OD2 2.68Å; R50-D66 PolarHBondContact NH2-OD2 3.07Å
51N93.5Very high91Very high116 Ų11656.7 Ų56.762%0.6227%0.266SS*.Hα-helixtrans-69.5-27.8-178.9-69.6-14.1000112.5Y47 R48 L49 T54Y47-N51 WeakPolarHBondContact O-CB 3.45Å; Y47-N51 PolarHBondContact O-N 2.64Å; Y47-N51 PolarHBondContact O-ND2 3.14Å; R48-N51 PolarHBondContact O-N 3.24Å; L49-N51 VanDerWaalsContact C-N 3.31Å; L49-N51 PolarHBondContact O-N 3.02Å; N51-T54 WeakPolarHBondContact O-CG2 3.41Å
52S92.3Very high91.4Very high42 Ų4255 Ų5529%0.29426%0.257SS..Hα-helixtrans-76.6-34.3172.6-54.90000113.4C35 R48 L49 R50 T54C35-S52 VanDerWaalsContact SG-CB 3.57Å; R48-S52 PolarHBondContact O-N 3.24Å; R48-S52 PolarHBondContact O-OG 3.35Å; R48-S52 VanDerWaalsContact O-OG 3.09Å; L49-S52 PolarHBondContact O-N 3.23Å; R50-S52 VanDerWaalsContact C-N 3.31Å; R50-S52 PolarHBondContact O-N 2.75Å; S52-T54 PolarHBondContact O-N 3.19Å
53V92.2Very high91.8Very high1 Ų156.5 Ų56.51%0.00627%0.267CS..  trans-103.180.1-174.4-172.30000111V8 F12 L31 L49 R50 S55 A58 W62V8-V53 HydrophobicContact CG1-CG2 3.89Å; F12-V53 HydrophobicContact CB-CG1 4.03Å; F12-V53 HydrophobicContact CD1-CG1 4.02Å; F12-V53 HydrophobicContact CD2-CG1 3.7Å; F12-V53 HydrophobicContact CE1-CG1 4.41Å; F12-V53 HydrophobicContact CE2-CG1 4.12Å; F12-V53 HydrophobicContact CG-CG1 3.63Å; F12-V53 HydrophobicContact CZ-CG1 4.45Å; L31-V53 HydrophobicContact CD1-CG2 3.97Å; L31-V53 HydrophobicContact CD2-CG2 4.48Å; L49-V53 HydrophobicContact CD1-CG2 3.83Å; L49-V53 WeakPolarHBondContact O-CG2 3.4Å; L49-V53 PolarHBondContact O-N 2.74Å; R50-V53 CarbonylContact O-C 3.54Å; R50-V53 PolarHBondContact O-N 2.7Å; V53-S55 PolarHBondContact O-N 2.67Å; V53-A58 HydrophobicContact CG1-CB 3.7Å; V53-W62 HydrophobicContact CB-CZ2 3.92Å; V53-W62 HydrophobicContact CG1-CZ2 4.08Å; V53-W62 PolarHBondContact O-NE1 3Å
54T88.1Confident92.2Very high87 Ų8757.3 Ų57.353%0.53427%0.273SS..  trans-90.116-173.5580000115.2H5 N51 S52H5-T54 PolarHBondContact NE2-OG1 3.04Å; N51-T54 WeakPolarHBondContact O-CG2 3.41Å; S52-T54 PolarHBondContact O-N 3.19Å
55S85.4Confident92.4Very high18 Ų1853.6 Ų53.613%0.12626%0.255CS..  trans-65.9147.917989.10000111.5V53 K57 A58 K59V53-S55 PolarHBondContact O-N 2.67Å; S55-K57 PolarHBondContact O-N 2.81Å; S55-A58 WeakPolarHBondContact O-CB 3.35Å; S55-A58 PolarHBondContact O-N 3.25Å; S55-A58 WeakPolarHBondContact OG-CB 3.4Å; S55-A58 PolarHBondContact OG-N 3.23Å; S55-K59 PolarHBondContact O-N 3.47Å
56W80.5Confident92.5Very high176 Ų17655.7 Ų55.767%0.66727%0.267SS*.Hα-helixtrans-61.8-32.7-176.669.2-97.5000113
57K81Confident92.6Very high85 Ų8563.4 Ų63.437%0.3730%0.3SS..Hα-helixtrans-67.3-42.8173.7-68176.5176.2-172.50111.7E13 S55 K59 C60E13-K57 WeakPolarHBondContact OE1-CD 3.48Å; E13-K57 IonicContact OE1-NZ 2.84Å; E13-K57 IonicContact OE2-NZ 3.93Å; E13-K57 PolarHBondContact OE2-NZ 3.1Å; S55-K57 PolarHBondContact O-N 2.81Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K57-C60 PolarHBondContact O-N 2.88Å
58A91.3Very high92.6Very high0 Ų059.5 Ų59.50%029%0.285CS..Hα-helixtrans-64.2-40.117800000111F12 V53 S55 C60 L61 W62F12-A58 HydrophobicContact CD1-CB 4.2Å; F12-A58 HydrophobicContact CE1-CB 3.53Å; F12-A58 HydrophobicContact CZ-CB 3.71Å; V53-A58 HydrophobicContact CG1-CB 3.7Å; S55-A58 WeakPolarHBondContact O-CB 3.35Å; S55-A58 PolarHBondContact O-N 3.25Å; S55-A58 WeakPolarHBondContact OG-CB 3.4Å; S55-A58 PolarHBondContact OG-N 3.23Å; A58-C60 VanDerWaalsContact C-N 3.33Å; A58-C60 PolarHBondContact O-N 2.9Å; A58-L61 WeakPolarHBondContact O-CA 3.28Å; A58-L61 WeakPolarHBondContact O-CB 3.04Å; A58-L61 PolarHBondContact O-N 3.48Å; A58-W62 VanDerWaalsContact C-CD1 3.48Å; A58-W62 HydrophobicContact CB-CZ2 3.85Å; A58-W62 VanDerWaalsContact O-CD1 3.23Å; A58-W62 PolarHBondContact O-N 3.12Å
59K92.5Very high92.6Very high125 Ų12554.8 Ų54.854%0.54327%0.267SS..Hα-helixtrans-53-46.5177.2-171.7177.4178.3178.50113.1S55 K57 L61 W62 D63S55-K59 PolarHBondContact O-N 3.47Å; K57-K59 VanDerWaalsContact C-N 3.33Å; K59-L61 PolarHBondContact O-N 3.26Å; K59-W62 PolarHBondContact O-N 2.97Å; K59-W62 VanDerWaalsContact O-N 3.12Å; K59-D63 VanDerWaalsContact O-CG 3.24Å; K59-D63 PolarHBondContact O-N 2.88Å
60C92.2Very high92.6Very high61 Ų6157.9 Ų57.941%0.41230%0.299SS..Hα-helixtrans-61.6-30177.5-62.90000113.4K57 A58 L64K57-C60 PolarHBondContact O-N 2.88Å; A58-C60 VanDerWaalsContact C-N 3.33Å; A58-C60 PolarHBondContact O-N 2.9Å; C60-L64 WeakPolarHBondContact O-CG 3.04Å
61L95.4Very high92.8Very high3 Ų357 Ų572%0.01630%0.298CS..Hα-helixtrans-75.5-41.3173.5179.662.2000111.2F12 A58 K59 L64 L65 L141 L168F12-L61 HydrophobicContact CZ-CD2 4.29Å; A58-L61 WeakPolarHBondContact O-CA 3.28Å; A58-L61 WeakPolarHBondContact O-CB 3.04Å; A58-L61 PolarHBondContact O-N 3.48Å; K59-L61 PolarHBondContact O-N 3.26Å; L61-L64 PolarHBondContact O-N 3.48Å; L61-L65 HydrophobicContact CD1-CD1 4.34Å; L61-L65 HydrophobicContact CD1-CG 4.39Å; L61-L65 HydrophobicContact CG-CD1 4.21Å; L61-L65 WeakPolarHBondContact O-CG 3.17Å; L61-L65 PolarHBondContact O-N 2.92Å; L61-L141 HydrophobicContact CD2-CD2 3.96Å; L61-L168 HydrophobicContact CD2-CD1 3.61Å
62W96.5Very high92.9Very high6 Ų656.1 Ų56.12%0.02330%0.301CS..Hα-helixtrans-61.7-44.8176.2-51.2147.5000112.1F12 Y46 R50 V53 A58 K59 L64 L65 D66 L168F12-W62 AromaticContact CE2-CH2 3.8Å; F12-W62 HydrophobicContact CE2-CH2 3.8Å; F12-W62 AromaticContact CE2-CZ2 3.88Å; F12-W62 HydrophobicContact CE2-CZ2 3.88Å; F12-W62 HydrophobicContact CZ-CH2 4.19Å; F12-W62 HydrophobicContact CZ-CZ2 4.09Å; Y46-W62 AromaticContact CE2-CE3 3.95Å; Y46-W62 HydrophobicContact CE2-CE3 3.95Å; Y46-W62 HydrophobicContact CE2-CZ3 4.3Å; Y46-W62 PolarHBondContact OH-O 3.23Å; R50-W62 HydrophobicContact CB-CD2 4.33Å; R50-W62 HydrophobicContact CB-CG 4.37Å; R50-W62 HydrophobicContact CG-CB 4.04Å; R50-W62 HydrophobicContact CG-CD2 4.18Å; R50-W62 HydrophobicContact CG-CG 3.71Å; V53-W62 HydrophobicContact CB-CZ2 3.92Å; V53-W62 HydrophobicContact CG1-CZ2 4.08Å; V53-W62 PolarHBondContact O-NE1 3Å; A58-W62 VanDerWaalsContact C-CD1 3.48Å; A58-W62 HydrophobicContact CB-CZ2 3.85Å; A58-W62 VanDerWaalsContact O-CD1 3.23Å; A58-W62 PolarHBondContact O-N 3.12Å; K59-W62 PolarHBondContact O-N 2.97Å; K59-W62 VanDerWaalsContact O-N 3.12Å; W62-L64 PolarHBondContact O-N 3.31Å; W62-L65 HydrophobicContact CE3-CD1 4.25Å; W62-L65 HydrophobicContact CZ3-CD1 4.28Å; W62-L65 PolarHBondContact O-N 3.23Å; W62-D66 VanDerWaalsContact O-CB 3.25Å; W62-D66 WeakPolarHBondContact O-CB 3.38Å; W62-D66 PolarHBondContact O-N 3.46Å; W62-L168 HydrophobicContact CH2-CD1 4.32Å; W62-L168 HydrophobicContact CH2-CD2 3.73Å; W62-L168 HydrophobicContact CZ3-CD1 4.01Å; W62-L168 HydrophobicContact CZ3-CD2 4.03Å; W62-L168 HydrophobicContact CZ3-CG 4.4Å
63D96.1Very high93.1Very high76 Ų7655.5 Ų55.541%0.40629%0.293SS..Hα-helixtrans-62.4-28.3179.7-63.2-17.8000112R50 K59 K67R50-D63 IonicContact NH2-OD1 3.5Å; K59-D63 VanDerWaalsContact O-CG 3.24Å; K59-D63 PolarHBondContact O-N 2.88Å; D63-K67 WeakPolarHBondContact O-CB 3.29Å; D63-K67 PolarHBondContact O-N 2.87Å
64L96.8Very high93.4Very high59 Ų5955.4 Ų55.431%0.30929%0.293SS..Hα-helixtrans-76.1-47173.5-73.3172.8000112.6C60 L61 W62 K67 R68C60-L64 WeakPolarHBondContact O-CG 3.04Å; L61-L64 PolarHBondContact O-N 3.48Å; W62-L64 PolarHBondContact O-N 3.31Å; L64-K67 PolarHBondContact O-N 2.9Å; L64-R68 PolarHBondContact O-N 2.81Å; L64-R68 VanDerWaalsContact O-N 3.11Å
65L96.9Very high93.7Very high0 Ų052.7 Ų52.70%028%0.279CS..Hα-helixtrans-68.2-39.6-180-65.9179000112Y46 L61 W62 K67 R68 M69 L136 V165 L168Y46-L65 HydrophobicContact CE2-CB 4.1Å; Y46-L65 HydrophobicContact CE2-CD1 4.08Å; L61-L65 HydrophobicContact CD1-CD1 4.34Å; L61-L65 HydrophobicContact CD1-CG 4.39Å; L61-L65 HydrophobicContact CG-CD1 4.21Å; L61-L65 WeakPolarHBondContact O-CG 3.17Å; L61-L65 PolarHBondContact O-N 2.92Å; W62-L65 HydrophobicContact CE3-CD1 4.25Å; W62-L65 HydrophobicContact CZ3-CD1 4.28Å; W62-L65 PolarHBondContact O-N 3.23Å; L65-K67 PolarHBondContact O-N 3.48Å; L65-R68 PolarHBondContact O-N 2.77Å; L65-M69 WeakPolarHBondContact O-CB 3.27Å; L65-M69 PolarHBondContact O-N 2.94Å; L65-L136 HydrophobicContact CD2-CD2 4.3Å; L65-V165 HydrophobicContact CD2-CG1 3.95Å; L65-L168 HydrophobicContact CD1-CD1 4.41Å
66D96.8Very high94.2Very high46 Ų4659.5 Ų59.525%0.24631%0.309CS..Hα-helixtrans-53.5-50.4169-87.223.9000111.7Y46 R50 W62 R68 M69 G70Y46-D66 WeakPolarHBondContact CE1-OD1 3.44Å; Y46-D66 PolarHBondContact OH-OD1 2.84Å; R50-D66 IonicContact CZ-OD1 3.85Å; R50-D66 IonicContact CZ-OD2 3.38Å; R50-D66 IonicContact NE-OD1 3.82Å; R50-D66 IonicContact NH1-OD1 3.52Å; R50-D66 PolarHBondContact NH1-OD1 3.09Å; R50-D66 IonicContact NH1-OD2 3.26Å; R50-D66 PolarHBondContact NH1-OD2 3.17Å; R50-D66 IonicContact NH2-OD1 2.91Å; R50-D66 IonicContact NH2-OD2 2.68Å; R50-D66 PolarHBondContact NH2-OD2 3.07Å; W62-D66 VanDerWaalsContact O-CB 3.25Å; W62-D66 WeakPolarHBondContact O-CB 3.38Å; W62-D66 PolarHBondContact O-N 3.46Å; D66-R68 PolarHBondContact O-N 3.37Å; D66-M69 PolarHBondContact O-N 3.49Å; D66-G70 PolarHBondContact O-N 2.79Å
67K96.8Very high94.8Very high165 Ų16551.8 Ų51.872%0.71728%0.28SS*.Hα-helixtrans-61.7-35.1-179.1-178.4-179.9178-177.70111.7D63 L64 L65D63-K67 WeakPolarHBondContact O-CB 3.29Å; D63-K67 PolarHBondContact O-N 2.87Å; L64-K67 PolarHBondContact O-N 2.9Å; L65-K67 PolarHBondContact O-N 3.48Å
68R96.2Very high95.5Very high12 Ų1251.1 Ų51.15%0.04528%0.281CS..Hα-helixtrans-69.3-51.9173.4-171.567.9-179.6-132.22110.6L64 L65 D66 G70 Q71 Y74 E100 L103 D132 S135 L136L64-R68 PolarHBondContact O-N 2.81Å; L64-R68 VanDerWaalsContact O-N 3.11Å; L65-R68 PolarHBondContact O-N 2.77Å; D66-R68 PolarHBondContact O-N 3.37Å; R68-G70 PolarHBondContact O-N 3.21Å; R68-Q71 WeakPolarHBondContact O-CB 3.27Å; R68-Q71 WeakPolarHBondContact O-CG 3.45Å; R68-Q71 PolarHBondContact O-N 3.08Å; R68-Y74 HydrophobicContact CG-CE2 4.28Å; R68-Y74 PolarHBondContact NE-OH 2.8Å; R68-Y74 PolarHBondContact NH2-OH 2.87Å; R68-Y74 VanDerWaalsContact O-CD2 3.26Å; R68-Y74 WeakPolarHBondContact O-CD2 3.28Å; R68-Y74 WeakPolarHBondContact O-CE2 3.04Å; R68-E100 IonicContact CZ-OE1 3.5Å; R68-E100 IonicContact NH2-OE1 3.25Å; R68-E100 PolarHBondContact NH2-OE1 3.44Å; R68-L103 HydrophobicContact CG-CD1 3.69Å; R68-L103 HydrophobicContact CG-CD2 4.31Å; R68-D132 IonicContact CZ-OD1 2.73Å; R68-D132 IonicContact NH1-OD1 2.68Å; R68-D132 PolarHBondContact NH1-OD1 3.45Å; R68-D132 IonicContact NH2-OD1 3.06Å; R68-D132 PolarHBondContact NH2-OD1 3.07Å; R68-S135 PolarHBondContact NH1-OG 3.36Å; R68-L136 HydrophobicContact CG-CD2 4.3Å
69M95Very high95.5Very high9 Ų951.2 Ų51.24%0.04428%0.281CS..Hα-helixtrans-60.1-30.8-178.7-169.2176.6-70.900113.3Y46 Y47 L65 D66 Q71 Q77 L103 L169Y46-M69 HydrophobicContact CD1-CE 3.54Å; Y46-M69 HydrophobicContact CD1-SD 3.87Å; Y46-M69 HydrophobicContact CE1-CE 3.96Å; Y46-M69 HydrophobicContact CE1-SD 4.13Å; Y46-M69 HydrophobicContact CG-CE 3.91Å; Y47-M69 HydrophobicContact CE1-SD 4.5Å; Y47-M69 HydrophobicContact CE2-SD 4.26Å; Y47-M69 PolarHBondContact OH-SD 3.15Å; Y47-M69 VanDerWaalsContact OH-SD 3.35Å; L65-M69 WeakPolarHBondContact O-CB 3.27Å; L65-M69 PolarHBondContact O-N 2.94Å; D66-M69 PolarHBondContact O-N 3.49Å; M69-Q71 VanDerWaalsContact C-N 3.29Å; M69-Q71 PolarHBondContact O-N 3.04Å; M69-Q77 HydrophobicContact CG-CG 4.16Å; M69-L103 HydrophobicContact CB-CD2 3.95Å; M69-L103 HydrophobicContact CE-CD2 4.22Å; M69-L103 HydrophobicContact CG-CD2 4.33Å; M69-L169 HydrophobicContact CE-CD2 3.57Å
70G95.7Very high95.6Very high65 Ų6545.3 Ų45.367%0.6726%0.256SS*.THydrogen-bonded Turntrans-771.317500000116.1D66 R68D66-G70 PolarHBondContact O-N 2.79Å; R68-G70 PolarHBondContact O-N 3.21Å
71Q96.9Very high95.6Very high46 Ų4648.5 Ų48.522%0.21526%0.259CS..SBendtrans-65.3140.7173.9-69.5179.1-27.300111.1R68 M69 E73 Y74R68-Q71 WeakPolarHBondContact O-CB 3.27Å; R68-Q71 WeakPolarHBondContact O-CG 3.45Å; R68-Q71 PolarHBondContact O-N 3.08Å; M69-Q71 VanDerWaalsContact C-N 3.29Å; M69-Q71 PolarHBondContact O-N 3.04Å; Q71-E73 PolarHBondContact O-N 2.98Å; Q71-E73 VanDerWaalsContact O-N 3.15Å; Q71-Y74 HydrophobicContact CB-CD2 3.75Å; Q71-Y74 HydrophobicContact CB-CE2 3.79Å; Q71-Y74 HydrophobicContact CG-CE2 4.38Å; Q71-Y74 PolarHBondContact O-N 3.35Å
72S97Very high95.3Very high97 Ų9753.3 Ų53.368%0.67829%0.285SS*.G310 helixtrans-59.6-30.1-173.169.10000113.8Y74 A75S72-Y74 VanDerWaalsContact C-N 3.27Å; S72-Y74 PolarHBondContact O-N 3.31Å; S72-A75 PolarHBondContact O-N 2.78Å
73E96.6Very high95.2Very high28 Ų2853.2 Ų53.213%0.13129%0.285CS..G310 helixtrans-66.6-29.7-176.3-67.387.1148.400111.8Q71 A75 W419 R422 T461 I462 D463Q71-E73 PolarHBondContact O-N 2.98Å; Q71-E73 VanDerWaalsContact O-N 3.15Å; E73-A75 PolarHBondContact O-N 3.3Å; E73-W419 HydrophobicContact CB-CZ3 4.35Å; E73-W419 HydrophobicContact CG-CZ3 4.04Å; E73-R422 VanDerWaalsContact O-CD 3.24Å; E73-R422 WeakPolarHBondContact O-CD 3.43Å; E73-R422 PolarHBondContact O-NE 3.03Å; E73-T461 WeakPolarHBondContact OE1-CB 3.49Å; E73-T461 WeakPolarHBondContact OE1-CG2 3.23Å; E73-T461 PolarHBondContact OE1-OG1 2.92Å; E73-I462 HydrophobicContact CB-CD1 3.98Å; E73-I462 HydrophobicContact CB-CG1 3.62Å; E73-I462 HydrophobicContact CG-CG1 4.26Å; E73-D463 HydrophobicContact CG-CB 4.37Å
74Y96.9Very high95.2Very high0 Ų052.3 Ų52.30%028%0.278CS..G310 helixtrans-76.3-7.6174.3-58.6-56.9000113.6R68 Q71 S72 Q76 Q77 E100 L103 L104 I462R68-Y74 HydrophobicContact CG-CE2 4.28Å; R68-Y74 PolarHBondContact NE-OH 2.8Å; R68-Y74 PolarHBondContact NH2-OH 2.87Å; R68-Y74 VanDerWaalsContact O-CD2 3.26Å; R68-Y74 WeakPolarHBondContact O-CD2 3.28Å; R68-Y74 WeakPolarHBondContact O-CE2 3.04Å; Q71-Y74 HydrophobicContact CB-CD2 3.75Å; Q71-Y74 HydrophobicContact CB-CE2 3.79Å; Q71-Y74 HydrophobicContact CG-CE2 4.38Å; Q71-Y74 PolarHBondContact O-N 3.35Å; S72-Y74 VanDerWaalsContact C-N 3.27Å; S72-Y74 PolarHBondContact O-N 3.31Å; Y74-Q76 VanDerWaalsContact C-N 3.27Å; Y74-Q76 PolarHBondContact O-N 2.97Å; Y74-Q77 WeakPolarHBondContact O-CA 3.43Å; Y74-Q77 PolarHBondContact O-N 3.11Å; Y74-E100 WeakPolarHBondContact CE1-OE2 3.36Å; Y74-E100 VanDerWaalsContact CZ-OE2 3.29Å; Y74-E100 PolarHBondContact OH-OE1 3.08Å; Y74-E100 PolarHBondContact OH-OE2 3.33Å; Y74-L103 WeakPolarHBondContact CB-O 3.2Å; Y74-L103 HydrophobicContact CD1-CB 3.66Å; Y74-L103 HydrophobicContact CD2-CB 4.35Å; Y74-L103 HydrophobicContact CE1-CB 3.54Å; Y74-L103 HydrophobicContact CE1-CD1 4.25Å; Y74-L103 HydrophobicContact CE2-CB 4.25Å; Y74-L103 HydrophobicContact CE2-CD1 4.3Å; Y74-L103 HydrophobicContact CG-CB 4.1Å; Y74-L104 HydrophobicContact CD1-CD2 3.98Å; Y74-L104 HydrophobicContact CD1-CG 4.08Å; Y74-I462 HydrophobicContact CD1-CD1 4.28Å; Y74-I462 HydrophobicContact CE1-CD1 4.05Å; Y74-I462 HydrophobicContact CE1-CG1 4.48Å; Y74-I462 HydrophobicContact CE1-CG2 4.38Å
75A95.5Very high95.2Very high30 Ų3049.5 Ų49.525%0.24826%0.263CS..G310 helixtrans50.842.2177.900000113.7S72 E73 Q77 N78 A79 L426S72-A75 PolarHBondContact O-N 2.78Å; E73-A75 PolarHBondContact O-N 3.3Å; A75-Q77 VanDerWaalsContact C-N 3.27Å; A75-Q77 PolarHBondContact O-N 3.12Å; A75-N78 WeakPolarHBondContact O-CB 3.44Å; A75-N78 PolarHBondContact O-N 3.25Å; A75-N78 PolarHBondContact O-ND2 2.89Å; A75-N78 VanDerWaalsContact O-ND2 3.09Å; A75-A79 HydrophobicContact CB-CB 4.12Å; A75-L426 HydrophobicContact CB-CD2 4.43Å
76Q94.4Very high95.3Very high161 Ų16149.8 Ų49.875%0.75226%0.264SS*.G310 helixtrans54.141.6-174.9-57.7175-10.100112.6Y74 N78Y74-Q76 VanDerWaalsContact C-N 3.27Å; Y74-Q76 PolarHBondContact O-N 2.97Å; Q76-N78 PolarHBondContact O-N 3.45Å; Q76-N78 VanDerWaalsContact O-N 3.15Å; Q76-N78 PolarHBondContact O-ND2 3.33Å
77Q94.6Very high95.4Very high13 Ų1347.6 Ų47.66%0.06125%0.253CS..G310 helixtrans61.713.7-176.1-52.2-174.1-85.400114.9F43 M69 Y74 A75 A102 L104 G105F43-Q77 HydrophobicContact CD2-CB 4.49Å; F43-Q77 HydrophobicContact CE2-CB 3.8Å; F43-Q77 HydrophobicContact CZ-CB 4.46Å; M69-Q77 HydrophobicContact CG-CG 4.16Å; Y74-Q77 WeakPolarHBondContact O-CA 3.43Å; Y74-Q77 PolarHBondContact O-N 3.11Å; A75-Q77 VanDerWaalsContact C-N 3.27Å; A75-Q77 PolarHBondContact O-N 3.12Å; Q77-A102 PolarHBondContact NE2-O 3.33Å; Q77-L104 CarbonylContact C-O 3.37Å; Q77-L104 VanDerWaalsContact C-O 3.29Å; Q77-L104 WeakPolarHBondContact CA-O 3.36Å; Q77-L104 VanDerWaalsContact O-O 3.13Å; Q77-G105 WeakPolarHBondContact O-CA 3.35Å
78N94.4Very high95.4Very high72 Ų7240.1 Ų40.139%0.38522%0.221SC..THydrogen-bonded Turntrans-86.1-19.8178.3-63.6-68.5000113.3A75 Q76 G80 R81A75-N78 WeakPolarHBondContact O-CB 3.44Å; A75-N78 PolarHBondContact O-N 3.25Å; A75-N78 PolarHBondContact O-ND2 2.89Å; A75-N78 VanDerWaalsContact O-ND2 3.09Å; Q76-N78 PolarHBondContact O-N 3.45Å; Q76-N78 VanDerWaalsContact O-N 3.15Å; Q76-N78 PolarHBondContact O-ND2 3.33Å; N78-G80 VanDerWaalsContact C-N 3.31Å; N78-G80 PolarHBondContact O-N 2.97Å; N78-R81 PolarHBondContact O-N 3.4Å; N78-R81 PolarHBondContact OD1-NH1 3.24Å
79A92.9Very high95.4Very high1 Ų139.7 Ų39.71%0.00822%0.221CC..SBendtrans-64-34.2-178.300000113.2A75 L104 R422 G425 L426A75-A79 HydrophobicContact CB-CB 4.12Å; A79-L104 HydrophobicContact CB-CD2 3.93Å; A79-R422 HydrophobicContact CB-CG 3.9Å; A79-G425 CarbonylContact O-C 3.54Å; A79-G425 VanDerWaalsContact O-C 3.26Å; A79-G425 WeakPolarHBondContact O-CA 3.41Å; A79-L426 HydrophobicContact CB-CD1 4.42Å; A79-L426 HydrophobicContact CB-CD2 3.98Å; A79-L426 HydrophobicContact CB-CG 3.91Å
80G93.3Very high95.6Very high1 Ų139.3 Ų39.31%0.0122%0.219CC..SBendtrans-107.31.1-179.200000114.7N78 N82 L83 L104 C106N78-G80 VanDerWaalsContact C-N 3.31Å; N78-G80 PolarHBondContact O-N 2.97Å; G80-N82 VanDerWaalsContact C-N 3.26Å; G80-N82 PolarHBondContact O-N 2.92Å; G80-L83 WeakPolarHBondContact O-CB 3.41Å; G80-L83 PolarHBondContact O-N 2.87Å; G80-L104 VanDerWaalsContact CA-O 3.31Å; G80-L104 WeakPolarHBondContact CA-O 3.31Å; G80-L104 PolarHBondContact N-O 3.26Å; G80-C106 VanDerWaalsContact CA-SG 3.54Å; G80-C106 VanDerWaalsContact O-CA 3.28Å; G80-C106 WeakPolarHBondContact O-CA 3.28Å
81R92.2Very high95.7Very high128 Ų12836.8 Ų36.848%0.48319%0.193SC..THydrogen-bonded Turntrans-51.7-37.8-164.6-174.8173.9-177.8145.51.7115.2N78N78-R81 PolarHBondContact O-N 3.4Å; N78-R81 PolarHBondContact OD1-NH1 3.24Å
82N89.6Confident95.7Very high104 Ų10435.4 Ų35.456%0.55619%0.188SC*.THydrogen-bonded Turntrans-98.72.5-178.9-61.5-4.7000113.1G80 N500G80-N82 VanDerWaalsContact C-N 3.26Å; G80-N82 PolarHBondContact O-N 2.92Å; N82-N500 PolarHBondContact ND2-OD1 2.84Å
83L94.7Very high95.8Very high5 Ų531.5 Ų31.53%0.02616%0.161CC..  trans-90.8125.3-177-58-174.7000111.6G80 C106 K107 V214 I421 Y424G80-L83 WeakPolarHBondContact O-CB 3.41Å; G80-L83 PolarHBondContact O-N 2.87Å; L83-C106 HydrophobicContact CB-CB 4.46Å; L83-C106 WeakPolarHBondContact O-CA 3.27Å; L83-K107 PolarHBondContact O-N 3.21Å; L83-V214 HydrophobicContact CB-CG2 4.42Å; L83-V214 HydrophobicContact CD1-CG2 4.21Å; L83-I421 HydrophobicContact CD1-CG2 3.75Å; L83-Y424 HydrophobicContact CD1-CD1 4.1Å; L83-Y424 HydrophobicContact CD2-CD1 4.13Å; L83-Y424 HydrophobicContact CD2-CE1 3.83Å
84K95.9Very high95.8Very high56 Ų5630.2 Ų30.224%0.24315%0.154CC..EExtended strand (participates in β ladder)trans-97.2118.3169.7-70.7-179.6-174175.90108.2K107 Y210 E211 F212 S213 V214 C502K84-K107 HydrophobicContact CG-CB 4.49Å; K84-Y210 WeakPolarHBondContact CB-OH 3.44Å; K84-Y210 HydrophobicContact CD-CE2 4.34Å; K84-E211 WeakPolarHBondContact CD-O 3.22Å; K84-F212 HydrophobicContact CB-CB 4.37Å; K84-F212 WeakPolarHBondContact O-CB 3.5Å; K84-S213 PolarHBondContact N-OG 2.79Å; K84-S213 PolarHBondContact O-N 2.84Å; K84-V214 PolarHBondContact O-N 2.73Å; K84-V214 VanDerWaalsContact O-N 3.16Å; K84-C502 PolarHBondContact NZ-SG 3.34Å
85V97.6Very high95.9Very high0 Ų030.2 Ų30.20%015%0.154CC..EExtended strand (participates in β ladder)trans-116.6123.9-171.9-1740000110V87 C101 C106 K107 M109 V214 I216V85-V87 HydrophobicContact CG1-CG2 4.25Å; V85-C101 HydrophobicContact CG2-CB 4.43Å; V85-C106 HydrophobicContact CG2-CB 3.57Å; V85-K107 PolarHBondContact N-O 3.33Å; V85-M109 PolarHBondContact O-N 3.22Å; V85-V214 WeakPolarHBondContact CA-O 3.44Å; V85-V214 HydrophobicContact CB-CB 4.4Å; V85-V214 HydrophobicContact CG1-CB 4.25Å; V85-V214 HydrophobicContact CG1-CG1 4.19Å; V85-V214 HydrophobicContact CG2-CB 4Å; V85-V214 HydrophobicContact CG2-CG1 4.44Å; V85-V214 HydrophobicContact CG2-CG2 4.32Å; V85-I216 HydrophobicContact CG1-CG1 4.48Å
86L98.1Very high96.1Very high6 Ų628.8 Ų28.83%0.03114%0.143CC..EExtended strand (participates in β ladder)trans-100.8125.3164.3-179.660.4000109.2M109 V111 F179 A198 Y210 F212 V214 L215 I216L86-M109 HydrophobicContact CD1-CB 4.02Å; L86-V111 HydrophobicContact CD1-CG1 4.02Å; L86-V111 HydrophobicContact CD1-CG2 4.06Å; L86-F179 HydrophobicContact CD2-CD2 4.32Å; L86-A198 HydrophobicContact CD2-CB 3.88Å; L86-Y210 HydrophobicContact CB-CE1 4.44Å; L86-F212 HydrophobicContact CB-CB 4.3Å; L86-F212 HydrophobicContact CB-CD1 3.82Å; L86-F212 HydrophobicContact CB-CD2 4.36Å; L86-F212 HydrophobicContact CB-CE1 4.25Å; L86-F212 HydrophobicContact CB-CG 3.89Å; L86-F212 HydrophobicContact CD2-CD1 3.86Å; L86-F212 HydrophobicContact CD2-CE1 3.47Å; L86-F212 VanDerWaalsContact CD2-CE1 3.47Å; L86-F212 HydrophobicContact CD2-CZ 3.93Å; L86-F212 HydrophobicContact CG-CD1 4.48Å; L86-F212 HydrophobicContact CG-CE1 4.5Å; L86-V214 PolarHBondContact N-O 2.85Å; L86-L215 HydrophobicContact CB-CD1 3.99Å; L86-L215 HydrophobicContact CD2-CD1 3.97Å; L86-L215 HydrophobicContact CG-CD1 3.9Å; L86-L215 WeakPolarHBondContact O-CA 3.34Å; L86-I216 PolarHBondContact O-N 3.35Å
87V98.3Very high96.3Very high0 Ų021.1 Ų21.10%011%0.107CC..EExtended strand (participates in β ladder)trans-114.1128.1170.2140.70000111.2V85 A98 V108 M109 V110 V111 I216V85-V87 HydrophobicContact CG1-CG2 4.25Å; V87-A98 HydrophobicContact CG2-CB 4.18Å; V87-V108 HydrophobicContact CG2-CG1 3.78Å; V87-M109 PolarHBondContact N-O 3.21Å; V87-V110 HydrophobicContact CG1-CG1 4.42Å; V87-V110 HydrophobicContact CG1-CG2 4.37Å; V87-V110 HydrophobicContact CG2-CG2 4.06Å; V87-V110 WeakPolarHBondContact O-CA 3.49Å; V87-V111 PolarHBondContact O-N 2.65Å; V87-I216 CarbonylContact C-O 3.5Å; V87-I216 VanDerWaalsContact CA-O 3.32Å; V87-I216 WeakPolarHBondContact CA-O 3.4Å; V87-I216 HydrophobicContact CB-CB 4.35Å
88V97.7Very high96.5Very high8 Ų820.5 Ų20.55%0.04810%0.104CC..EExtended strand (participates in β ladder)trans-97.5114.7-176.1-175.10000109.3V111 F179 L215 I216 A218 D219V88-V111 HydrophobicContact CB-CG2 4.44Å; V88-V111 HydrophobicContact CG1-CG2 4.39Å; V88-V111 HydrophobicContact CG2-CG2 4.19Å; V88-F179 HydrophobicContact CB-CB 4.39Å; V88-F179 HydrophobicContact CG1-CB 3.56Å; V88-F179 HydrophobicContact CG1-CG 4.21Å; V88-F179 HydrophobicContact CG2-CB 3.85Å; V88-F179 HydrophobicContact CG2-CD1 4.49Å; V88-F179 HydrophobicContact CG2-CD2 3.82Å; V88-F179 HydrophobicContact CG2-CG 3.81Å; V88-L215 HydrophobicContact CG2-CD1 3.77Å; V88-I216 PolarHBondContact N-O 2.96Å; V88-A218 CarbonylContact O-C 3.57Å; V88-A218 VanDerWaalsContact O-CA 3.3Å; V88-A218 WeakPolarHBondContact O-CA 3.5Å; V88-A218 PolarHBondContact O-N 2.66Å; V88-D219 HydrophobicContact CG1-CB 4.19Å; V88-D219 PolarHBondContact O-N 2.74Å
89G97Very high96.7Very high4 Ų417 Ų174%0.0419%0.085CC..  trans101.4122.417800000113.7G91 G94 V111G89-G91 PolarHBondContact O-N 2.8Å; G89-G94 WeakPolarHBondContact O-CA 3.37Å; G89-V111 WeakPolarHBondContact CA-O 3.41Å; G89-V111 PolarHBondContact N-O 3.09Å
90A97.9Very high97Very high0 Ų017 Ų170%09%0.085CC..  trans-9034.6173.800000112.1F21 L95 V110 E112 F117 Q159F21-A90 HydrophobicContact CZ-CB 4.48Å; A90-L95 HydrophobicContact CB-CD1 4.39Å; A90-L95 HydrophobicContact CB-CD2 4.01Å; A90-L95 HydrophobicContact CB-CG 4.13Å; A90-L95 WeakPolarHBondContact O-CD1 3.17Å; A90-V110 HydrophobicContact CB-CG1 4.14Å; A90-E112 HydrophobicContact CB-CB 3.62Å; A90-E112 HydrophobicContact CB-CG 3.92Å; A90-E112 PolarHBondContact N-OE2 2.67Å; A90-F117 HydrophobicContact CB-CE1 4.12Å; A90-F117 HydrophobicContact CB-CZ 4.4Å; A90-Q159 PolarHBondContact O-NE2 2.82Å
91G97.1Very high97.2Very high13 Ų1317 Ų1713%0.1349%0.085CC..SBendtrans-67.6169.816700000111.6G89 C93 G94 L95G89-G91 PolarHBondContact O-N 2.8Å; G91-C93 VanDerWaalsContact C-N 3.3Å; G91-C93 PolarHBondContact O-N 2.68Å; G91-G94 PolarHBondContact O-N 3.35Å; G91-G94 VanDerWaalsContact O-N 3.08Å; G91-L95 PolarHBondContact O-N 3.08Å
92P98.1Very high97.5Very high16 Ų1611.2 Ų11.210%0.1047%0.065CC..Hα-helixtrans-51.6-46.3178.6-29.436.7000113.5R96 I155 L158 Q159 L162 F411P92-R96 WeakPolarHBondContact O-CB 3.34Å; P92-R96 PolarHBondContact O-N 2.96Å; P92-I155 HydrophobicContact CG-CG2 4.37Å; P92-L158 HydrophobicContact CB-CD2 3.73Å; P92-L158 HydrophobicContact CB-CG 4.05Å; P92-L158 HydrophobicContact CG-CD2 3.98Å; P92-L158 HydrophobicContact CG-CG 4.24Å; P92-Q159 HydrophobicContact CG-CG 3.98Å; P92-L162 HydrophobicContact CB-CD1 4.06Å; P92-L162 WeakPolarHBondContact O-CD1 3.24Å; P92-F411 HydrophobicContact CB-CE1 4.43Å
93C98.2Very high97.9Very high16 Ų166.3 Ų6.311%0.1084%0.038CC..Hα-helixtrans-66.7-38.6178.5-55.70000112.8G91 R96 M97 V392 G393 G410 V414G91-C93 VanDerWaalsContact C-N 3.3Å; G91-C93 PolarHBondContact O-N 2.68Å; C93-R96 PolarHBondContact O-N 2.69Å; C93-M97 VanDerWaalsContact O-CB 3.28Å; C93-M97 WeakPolarHBondContact O-CB 3.48Å; C93-M97 PolarHBondContact O-N 2.74Å; C93-V392 HydrophobicContact CB-CG2 4.42Å; C93-G393 VanDerWaalsContact SG-CA 3.6Å; C93-G410 VanDerWaalsContact SG-CA 3.55Å; C93-V414 HydrophobicContact CB-CG2 4.09Å; C93-V414 VanDerWaalsContact O-CG2 3.31Å; C93-V414 WeakPolarHBondContact O-CG2 3.32Å
94G98.2Very high98Very high0 Ų06.1 Ų6.10%04%0.037CC..Hα-helixtrans-68.6-43.5178.700000113G89 G91 M97 A98 A218G89-G94 WeakPolarHBondContact O-CA 3.37Å; G91-G94 PolarHBondContact O-N 3.35Å; G91-G94 VanDerWaalsContact O-N 3.08Å; G94-M97 WeakPolarHBondContact O-CB 3.4Å; G94-M97 PolarHBondContact O-N 3.41Å; G94-A98 WeakPolarHBondContact O-CB 3.38Å; G94-A98 PolarHBondContact O-N 3.48Å; G94-A218 VanDerWaalsContact CA-CB 3.41Å
95L98.8Very high98.1Very high0 Ų03.5 Ų3.50%03%0.026CC..Hα-helixtrans-65.7-38.8173-67.2169.5000111.5A90 G91 M97 A98 I99 F117 Q159 L162 L163A90-L95 HydrophobicContact CB-CD1 4.39Å; A90-L95 HydrophobicContact CB-CD2 4.01Å; A90-L95 HydrophobicContact CB-CG 4.13Å; A90-L95 WeakPolarHBondContact O-CD1 3.17Å; G91-L95 PolarHBondContact O-N 3.08Å; L95-M97 VanDerWaalsContact C-N 3.33Å; L95-M97 PolarHBondContact O-N 2.94Å; L95-A98 PolarHBondContact O-N 2.7Å; L95-I99 WeakPolarHBondContact O-CG1 3.28Å; L95-I99 PolarHBondContact O-N 3.32Å; L95-F117 HydrophobicContact CD1-CZ 4.2Å; L95-Q159 HydrophobicContact CD1-CB 4.26Å; L95-Q159 WeakPolarHBondContact CD1-O 3.4Å; L95-L162 HydrophobicContact CB-CB 3.66Å; L95-L162 HydrophobicContact CB-CD1 4.46Å; L95-L162 HydrophobicContact CD1-CB 4.12Å; L95-L163 HydrophobicContact CD1-CB 4.14Å; L95-L163 HydrophobicContact CD2-CB 4.49Å; L95-L163 HydrophobicContact CD2-CD1 4.21Å
96R98.8Very high98Very high0 Ų03.6 Ų3.60%03%0.027CC..Hα-helixtrans-65-36.3175.5-167.768.8-166.377.8-5.5112.4P92 C93 E100 D132 L162 F411 V414P92-R96 WeakPolarHBondContact O-CB 3.34Å; P92-R96 PolarHBondContact O-N 2.96Å; C93-R96 PolarHBondContact O-N 2.69Å; R96-E100 IonicContact CZ-OE1 3.56Å; R96-E100 IonicContact NH1-OE1 2.94Å; R96-E100 PolarHBondContact NH1-OE1 3.39Å; R96-E100 IonicContact NH2-OE1 3.81Å; R96-E100 PolarHBondContact NH2-OE1 2.99Å; R96-E100 PolarHBondContact O-N 3.19Å; R96-D132 IonicContact CZ-OD1 3.44Å; R96-D132 IonicContact CZ-OD2 2.79Å; R96-D132 IonicContact NE-OD1 3.38Å; R96-D132 IonicContact NE-OD2 2.67Å; R96-D132 PolarHBondContact NE-OD2 3.41Å; R96-D132 IonicContact NH2-OD1 3.83Å; R96-D132 PolarHBondContact NH2-OD1 3.25Å; R96-D132 IonicContact NH2-OD2 3.4Å; R96-D132 PolarHBondContact NH2-OD2 2.82Å; R96-D132 VanDerWaalsContact NH2-OD2 3.16Å; R96-L162 HydrophobicContact CB-CD1 4.49Å; R96-L162 HydrophobicContact CB-CD2 4.43Å; R96-F411 HydrophobicContact CB-CD1 4.32Å; R96-F411 HydrophobicContact CB-CE1 3.91Å; R96-F411 HydrophobicContact CB-CE2 4.5Å; R96-F411 HydrophobicContact CB-CZ 4.02Å; R96-F411 VanDerWaalsContact CD-CE2 3.47Å; R96-F411 HydrophobicContact CG-CD1 4.08Å; R96-F411 HydrophobicContact CG-CD2 3.89Å; R96-F411 HydrophobicContact CG-CE1 3.93Å; R96-F411 HydrophobicContact CG-CE2 3.75Å; R96-F411 HydrophobicContact CG-CG 4.07Å; R96-F411 HydrophobicContact CG-CZ 3.78Å; R96-V414 HydrophobicContact CB-CG1 4.35Å; R96-V414 HydrophobicContact CG-CG1 4.05Å
97M98.8Very high97.9Very high0 Ų04.1 Ų4.10%03%0.029CC..Hα-helixtrans-66.2-44.9172.9-173.576-104.100111.6C93 G94 L95 I99 E100 C101 I216 V392 V414 C417 A418 I421C93-M97 VanDerWaalsContact O-CB 3.28Å; C93-M97 WeakPolarHBondContact O-CB 3.48Å; C93-M97 PolarHBondContact O-N 2.74Å; G94-M97 WeakPolarHBondContact O-CB 3.4Å; G94-M97 PolarHBondContact O-N 3.41Å; L95-M97 VanDerWaalsContact C-N 3.33Å; L95-M97 PolarHBondContact O-N 2.94Å; M97-I99 VanDerWaalsContact C-N 3.27Å; M97-I99 PolarHBondContact O-N 2.93Å; M97-E100 HydrophobicContact CE-CB 4.19Å; M97-E100 PolarHBondContact O-N 3.18Å; M97-E100 VanDerWaalsContact O-N 3.15Å; M97-C101 PolarHBondContact O-N 2.59Å; M97-C101 PolarHBondContact O-SG 3.28Å; M97-I216 HydrophobicContact CG-CB 4.36Å; M97-I216 HydrophobicContact CG-CG1 4.4Å; M97-I216 HydrophobicContact CG-CG2 3.9Å; M97-I216 HydrophobicContact SD-CG2 4.2Å; M97-V392 HydrophobicContact CB-CG2 4.45Å; M97-V392 HydrophobicContact SD-CG1 4.09Å; M97-V414 HydrophobicContact CB-CG1 4.14Å; M97-V414 HydrophobicContact CB-CG2 4.18Å; M97-V414 HydrophobicContact CE-CG1 4.44Å; M97-V414 HydrophobicContact SD-CG1 4.1Å; M97-C417 HydrophobicContact CE-CB 4.36Å; M97-C417 HydrophobicContact SD-CB 3.76Å; M97-A418 HydrophobicContact CE-CB 3.88Å; M97-I421 HydrophobicContact CE-CD1 3.81Å
98A98.8Very high97.9Very high0 Ų04.3 Ų4.30%03%0.03CC..Hα-helixtrans-60.5-37.7177.700000112.3V87 G94 L95 C101 A102 V108 V110 V171V87-A98 HydrophobicContact CG2-CB 4.18Å; G94-A98 WeakPolarHBondContact O-CB 3.38Å; G94-A98 PolarHBondContact O-N 3.48Å; L95-A98 PolarHBondContact O-N 2.7Å; A98-C101 PolarHBondContact O-N 3.33Å; A98-A102 WeakPolarHBondContact O-CB 3.49Å; A98-A102 PolarHBondContact O-N 3.49Å; A98-V108 HydrophobicContact CB-CG1 3.91Å; A98-V110 HydrophobicContact CB-CG2 3.61Å; A98-V171 HydrophobicContact CB-CG1 3.93Å; A98-V171 HydrophobicContact CB-CG2 4.23Å
99I98.8Very high97.9Very high0 Ų04 Ų40%03%0.028CC..Hα-helixtrans-60.6-49.9172-69.7163.9000111.3L95 M97 C101 A102 L103 L136 L162 V165 A166 L169L95-I99 WeakPolarHBondContact O-CG1 3.28Å; L95-I99 PolarHBondContact O-N 3.32Å; M97-I99 VanDerWaalsContact C-N 3.27Å; M97-I99 PolarHBondContact O-N 2.93Å; I99-C101 PolarHBondContact O-N 3.01Å; I99-A102 PolarHBondContact O-N 3.47Å; I99-L103 HydrophobicContact CG2-CD1 3.84Å; I99-L103 HydrophobicContact CG2-CG 4.44Å; I99-L103 VanDerWaalsContact O-CG 3.28Å; I99-L103 WeakPolarHBondContact O-CG 3.4Å; I99-L103 PolarHBondContact O-N 2.91Å; I99-L136 HydrophobicContact CD1-CD1 4.34Å; I99-L136 HydrophobicContact CG2-CD1 4.42Å; I99-L136 HydrophobicContact CG2-CD2 4.26Å; I99-L162 HydrophobicContact CD1-CB 4.34Å; I99-L162 HydrophobicContact CD1-CD2 3.81Å; I99-V165 HydrophobicContact CD1-CB 3.79Å; I99-V165 HydrophobicContact CD1-CG1 3.7Å; I99-V165 HydrophobicContact CG1-CB 4.39Å; I99-V165 HydrophobicContact CG1-CG1 4Å; I99-V165 HydrophobicContact CG2-CG1 4.31Å; I99-A166 HydrophobicContact CG1-CB 4Å; I99-L169 HydrophobicContact CB-CD1 4.44Å; I99-L169 HydrophobicContact CG1-CD1 4.44Å; I99-L169 HydrophobicContact CG2-CD1 3.84Å
100E98.7Very high97.9Very high0 Ų03.8 Ų3.80%03%0.026CC..Hα-helixtrans-62.8-40178.3-68.1-55.8142.100112.4R68 Y74 R96 M97 A102 L103 L104 V414 F415 A418 I462R68-E100 IonicContact CZ-OE1 3.5Å; R68-E100 IonicContact NH2-OE1 3.25Å; R68-E100 PolarHBondContact NH2-OE1 3.44Å; Y74-E100 WeakPolarHBondContact CE1-OE2 3.36Å; Y74-E100 VanDerWaalsContact CZ-OE2 3.29Å; Y74-E100 PolarHBondContact OH-OE1 3.08Å; Y74-E100 PolarHBondContact OH-OE2 3.33Å; R96-E100 IonicContact CZ-OE1 3.56Å; R96-E100 IonicContact NH1-OE1 2.94Å; R96-E100 PolarHBondContact NH1-OE1 3.39Å; R96-E100 IonicContact NH2-OE1 3.81Å; R96-E100 PolarHBondContact NH2-OE1 2.99Å; R96-E100 PolarHBondContact O-N 3.19Å; M97-E100 HydrophobicContact CE-CB 4.19Å; M97-E100 PolarHBondContact O-N 3.18Å; M97-E100 VanDerWaalsContact O-N 3.15Å; E100-A102 PolarHBondContact O-N 3Å; E100-L103 PolarHBondContact O-N 3.32Å; E100-L104 WeakPolarHBondContact O-CG 3.46Å; E100-L104 PolarHBondContact O-N 2.94Å; E100-V414 HydrophobicContact CG-CG1 4.09Å; E100-F415 HydrophobicContact CG-CD1 4.25Å; E100-F415 HydrophobicContact CG-CE1 4.48Å; E100-A418 HydrophobicContact CB-CB 3.67Å; E100-A418 HydrophobicContact CG-CB 4.06Å; E100-I462 HydrophobicContact CG-CG2 4.34Å; E100-I462 WeakPolarHBondContact OE2-CG2 3.15Å
101C98.5Very high97.9Very high0 Ų03.9 Ų3.90%03%0.027CC..Hα-helixtrans-62.3-40.8174.5-68.90000112.4V85 M97 A98 I99 L104 G105 C106 V108V85-C101 HydrophobicContact CG2-CB 4.43Å; M97-C101 PolarHBondContact O-N 2.59Å; M97-C101 PolarHBondContact O-SG 3.28Å; A98-C101 PolarHBondContact O-N 3.33Å; I99-C101 PolarHBondContact O-N 3.01Å; C101-L104 PolarHBondContact O-N 3.35Å; C101-G105 PolarHBondContact O-N 3.36Å; C101-C106 HydrophobicContact CB-CB 4.14Å; C101-C106 VanDerWaalsContact O-CB 3.23Å; C101-C106 WeakPolarHBondContact O-CB 3.27Å; C101-C106 PolarHBondContact O-N 3.11Å; C101-C106 PolarHBondContact O-SG 3.23Å; C101-C106 VanDerWaalsContact O-SG 3.41Å; C101-V108 HydrophobicContact CB-CG1 4.42Å; C101-V108 HydrophobicContact CB-CG2 3.46Å; C101-V108 VanDerWaalsContact CB-CG2 3.46Å
102A98Very high97.8Very high8 Ų83.5 Ų3.57%0.0662%0.021CC..Hα-helixtrans-67.7-37.8176.200000112.2Q77 A98 I99 E100 L104 G105 V108 L169 V171Q77-A102 PolarHBondContact NE2-O 3.33Å; A98-A102 WeakPolarHBondContact O-CB 3.49Å; A98-A102 PolarHBondContact O-N 3.49Å; I99-A102 PolarHBondContact O-N 3.47Å; E100-A102 PolarHBondContact O-N 3Å; A102-L104 VanDerWaalsContact C-N 3.33Å; A102-L104 PolarHBondContact O-N 3.21Å; A102-G105 WeakPolarHBondContact O-CA 3.49Å; A102-G105 PolarHBondContact O-N 2.9Å; A102-V108 HydrophobicContact CB-CG2 4.41Å; A102-L169 HydrophobicContact CB-CB 3.97Å; A102-V171 HydrophobicContact CB-CG2 3.84Å
103L97.9Very high97.7Very high1 Ų17.3 Ų7.31%0.0054%0.036CC..Hα-helixtrans-65.7-33.6173.5-68.2167.9000112.2R68 M69 Y74 I99 E100 G105 L169R68-L103 HydrophobicContact CG-CD1 3.69Å; R68-L103 HydrophobicContact CG-CD2 4.31Å; M69-L103 HydrophobicContact CB-CD2 3.95Å; M69-L103 HydrophobicContact CE-CD2 4.22Å; M69-L103 HydrophobicContact CG-CD2 4.33Å; Y74-L103 WeakPolarHBondContact CB-O 3.2Å; Y74-L103 HydrophobicContact CD1-CB 3.66Å; Y74-L103 HydrophobicContact CD2-CB 4.35Å; Y74-L103 HydrophobicContact CE1-CB 3.54Å; Y74-L103 HydrophobicContact CE1-CD1 4.25Å; Y74-L103 HydrophobicContact CE2-CB 4.25Å; Y74-L103 HydrophobicContact CE2-CD1 4.3Å; Y74-L103 HydrophobicContact CG-CB 4.1Å; I99-L103 HydrophobicContact CG2-CD1 3.84Å; I99-L103 HydrophobicContact CG2-CG 4.44Å; I99-L103 VanDerWaalsContact O-CG 3.28Å; I99-L103 WeakPolarHBondContact O-CG 3.4Å; I99-L103 PolarHBondContact O-N 2.91Å; E100-L103 PolarHBondContact O-N 3.32Å; L103-G105 PolarHBondContact O-N 3.32Å; L103-L169 HydrophobicContact CD2-CD1 4.24Å; L103-L169 HydrophobicContact CD2-CD2 4.33Å; L103-L169 HydrophobicContact CG-CD1 4.23Å
104L97.7Very high97.5Very high0 Ų011.5 Ų11.50%05%0.05CC..THydrogen-bonded Turntrans-68.7-14.5170-73166.4000113.5Y74 Q77 A79 G80 E100 C101 A102 A418 I421 R422 I462Y74-L104 HydrophobicContact CD1-CD2 3.98Å; Y74-L104 HydrophobicContact CD1-CG 4.08Å; Q77-L104 CarbonylContact C-O 3.37Å; Q77-L104 VanDerWaalsContact C-O 3.29Å; Q77-L104 WeakPolarHBondContact CA-O 3.36Å; Q77-L104 VanDerWaalsContact O-O 3.13Å; A79-L104 HydrophobicContact CB-CD2 3.93Å; G80-L104 VanDerWaalsContact CA-O 3.31Å; G80-L104 WeakPolarHBondContact CA-O 3.31Å; G80-L104 PolarHBondContact N-O 3.26Å; E100-L104 WeakPolarHBondContact O-CG 3.46Å; E100-L104 PolarHBondContact O-N 2.94Å; C101-L104 PolarHBondContact O-N 3.35Å; A102-L104 VanDerWaalsContact C-N 3.33Å; A102-L104 PolarHBondContact O-N 3.21Å; L104-A418 HydrophobicContact CD1-CB 4.39Å; L104-A418 WeakPolarHBondContact CD1-O 3.32Å; L104-I421 HydrophobicContact CD1-CB 4.32Å; L104-I421 HydrophobicContact CD1-CG2 4.14Å; L104-R422 HydrophobicContact CD1-CB 4.35Å; L104-R422 HydrophobicContact CD2-CB 3.64Å; L104-R422 HydrophobicContact CD2-CG 3.83Å; L104-I462 HydrophobicContact CD2-CD1 4.03Å
105G96.4Very high97.2Very high1 Ų114.6 Ų14.61%0.017%0.071CC..THydrogen-bonded Turntrans92.79-17700000115.2H42 Q77 C101 A102 L103H42-G105 PolarHBondContact CE1-O 3.49Å; Q77-G105 WeakPolarHBondContact O-CA 3.35Å; C101-G105 PolarHBondContact O-N 3.36Å; A102-G105 WeakPolarHBondContact O-CA 3.49Å; A102-G105 PolarHBondContact O-N 2.9Å; L103-G105 PolarHBondContact O-N 3.32Å
106C96.6Very high96.9Very high3 Ų319.2 Ų19.22%0.029%0.091CC..  trans-65.3154.3176.9-550000112.2H42 G80 L83 V85 C101 V108H42-C106 PolarHBondContact ND1-O 3.13Å; G80-C106 VanDerWaalsContact CA-SG 3.54Å; G80-C106 VanDerWaalsContact O-CA 3.28Å; G80-C106 WeakPolarHBondContact O-CA 3.28Å; L83-C106 HydrophobicContact CB-CB 4.46Å; L83-C106 WeakPolarHBondContact O-CA 3.27Å; V85-C106 HydrophobicContact CG2-CB 3.57Å; C101-C106 HydrophobicContact CB-CB 4.14Å; C101-C106 VanDerWaalsContact O-CB 3.23Å; C101-C106 WeakPolarHBondContact O-CB 3.27Å; C101-C106 PolarHBondContact O-N 3.11Å; C101-C106 PolarHBondContact O-SG 3.23Å; C101-C106 VanDerWaalsContact O-SG 3.41Å; C106-V108 HydrophobicContact CB-CG2 4.01Å
107K96.2Very high96.8Very high17 Ų1720.4 Ų20.47%0.07410%0.097CC..EExtended strand (participates in β ladder)trans-82.3116.7161.7-178.263.7-172.9165.80108.8L39 H42 L83 K84 V85 M109 E172 Y210L39-K107 PolarHBondContact O-NZ 3.22Å; H42-K107 HydrophobicContact CB-CD 3.81Å; L83-K107 PolarHBondContact O-N 3.21Å; K84-K107 HydrophobicContact CG-CB 4.49Å; V85-K107 PolarHBondContact N-O 3.33Å; K107-M109 HydrophobicContact CG-CE 4.34Å; K107-E172 WeakPolarHBondContact CE-OE1 3.13Å; K107-E172 IonicContact NZ-OE1 2.93Å; K107-E172 PolarHBondContact NZ-OE1 2.87Å; K107-Y210 PolarHBondContact O-OH 2.87Å
108V97.8Very high96.5Very high3 Ų321.8 Ų21.82%0.01811%0.107CC..EExtended strand (participates in β ladder)trans-116.3125.3-170.7-167.40000112.6V87 A98 C101 A102 C106 V110 V171 E172V87-V108 HydrophobicContact CG2-CG1 3.78Å; A98-V108 HydrophobicContact CB-CG1 3.91Å; C101-V108 HydrophobicContact CB-CG1 4.42Å; C101-V108 HydrophobicContact CB-CG2 3.46Å; C101-V108 VanDerWaalsContact CB-CG2 3.46Å; A102-V108 HydrophobicContact CB-CG2 4.41Å; C106-V108 HydrophobicContact CB-CG2 4.01Å; V108-V110 HydrophobicContact CG1-CG2 4.44Å; V108-V171 HydrophobicContact CB-CG1 4.23Å; V108-V171 HydrophobicContact CB-CG2 4.24Å; V108-V171 HydrophobicContact CG1-CG1 4.03Å; V108-V171 HydrophobicContact CG1-CG2 4.49Å; V108-E172 PolarHBondContact O-N 2.84Å
109M96.7Very high96.3Very high1 Ų125.9 Ų25.91%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-110.7136.3167.9-54.4-61.3176.400109.8V85 L86 V87 K107 E172 F174 L207 Y210 F508 Q512V85-M109 PolarHBondContact O-N 3.22Å; L86-M109 HydrophobicContact CD1-CB 4.02Å; V87-M109 PolarHBondContact N-O 3.21Å; K107-M109 HydrophobicContact CG-CE 4.34Å; M109-E172 CarbonylContact C-O 3.58Å; M109-E172 WeakPolarHBondContact CA-O 3.17Å; M109-E172 WeakPolarHBondContact CE-OE1 3.26Å; M109-E172 HydrophobicContact SD-CB 3.76Å; M109-E172 HydrophobicContact SD-CG 4.5Å; M109-F174 HydrophobicContact SD-CE2 3.91Å; M109-F174 HydrophobicContact SD-CZ 4.47Å; M109-L207 HydrophobicContact CG-CD2 4.47Å; M109-L207 HydrophobicContact SD-CD2 4.38Å; M109-Y210 HydrophobicContact CB-CD1 4.39Å; M109-Y210 HydrophobicContact CB-CE1 3.95Å; M109-Y210 HydrophobicContact CE-CD2 4.03Å; M109-Y210 HydrophobicContact CE-CE2 3.56Å; M109-Y210 HydrophobicContact CG-CD1 3.79Å; M109-Y210 HydrophobicContact CG-CD2 4.37Å; M109-Y210 HydrophobicContact CG-CE1 3.31Å; M109-Y210 HydrophobicContact CG-CE2 3.96Å; M109-Y210 HydrophobicContact CG-CG 4.3Å; M109-F508 HydrophobicContact CE-CZ 4.33Å; M109-Q512 VanDerWaalsContact CE-NE2 3.35Å
110V98.2Very high96.1Very high0 Ų027.2 Ų27.20%013%0.129CC..EExtended strand (participates in β ladder)trans-119.3125.5173.5-178.30000109.9V87 A90 A98 V108 V171 E172 V173 F174V87-V110 HydrophobicContact CG1-CG1 4.42Å; V87-V110 HydrophobicContact CG1-CG2 4.37Å; V87-V110 HydrophobicContact CG2-CG2 4.06Å; V87-V110 WeakPolarHBondContact O-CA 3.49Å; A90-V110 HydrophobicContact CB-CG1 4.14Å; A98-V110 HydrophobicContact CB-CG2 3.61Å; V108-V110 HydrophobicContact CG1-CG2 4.44Å; V110-V171 HydrophobicContact CG2-CG1 3.58Å; V110-E172 PolarHBondContact N-O 2.74Å; V110-V173 HydrophobicContact CB-CB 4.43Å; V110-V173 HydrophobicContact CB-CG1 4.22Å; V110-V173 HydrophobicContact CB-CG2 4.12Å; V110-V173 HydrophobicContact CG1-CG1 4.29Å; V110-V173 HydrophobicContact CG2-CG2 4.33Å; V110-F174 PolarHBondContact O-N 3.11Å
111V97.1Very high96Very high2 Ų228.4 Ų28.41%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-108.8125.9174-66.80000111L86 V87 V88 G89 F174 V177 F179 L207L86-V111 HydrophobicContact CD1-CG1 4.02Å; L86-V111 HydrophobicContact CD1-CG2 4.06Å; V87-V111 PolarHBondContact O-N 2.65Å; V88-V111 HydrophobicContact CB-CG2 4.44Å; V88-V111 HydrophobicContact CG1-CG2 4.39Å; V88-V111 HydrophobicContact CG2-CG2 4.19Å; G89-V111 WeakPolarHBondContact CA-O 3.41Å; G89-V111 PolarHBondContact N-O 3.09Å; V111-F174 HydrophobicContact CG1-CB 4.5Å; V111-V177 HydrophobicContact CB-CB 4.3Å; V111-V177 HydrophobicContact CB-CG1 4.11Å; V111-V177 HydrophobicContact CG1-CB 4.29Å; V111-V177 HydrophobicContact CG1-CG1 3.83Å; V111-F179 HydrophobicContact CG2-CB 4.38Å; V111-L207 HydrophobicContact CG1-CD1 3.92Å
112E96.3Very high95.8Very high5 Ų528.7 Ų28.72%0.02314%0.137CC..EExtended strand (participates in β ladder)trans-125124.5176170.757.4-136.100110.8F21 A90 R114 F174 E175 A176 V177F21-E112 HydrophobicContact CE1-CB 4.4Å; F21-E112 HydrophobicContact CE1-CG 4.01Å; F21-E112 HydrophobicContact CZ-CB 4.43Å; F21-E112 HydrophobicContact CZ-CG 4.46Å; A90-E112 HydrophobicContact CB-CB 3.62Å; A90-E112 HydrophobicContact CB-CG 3.92Å; A90-E112 PolarHBondContact N-OE2 2.67Å; E112-R114 HydrophobicContact CG-CB 4.24Å; E112-R114 PolarHBondContact O-N 3.48Å; E112-R114 VanDerWaalsContact OE1-CB 3.3Å; E112-R114 WeakPolarHBondContact OE1-CB 3.36Å; E112-R114 WeakPolarHBondContact OE1-CG 3.37Å; E112-R114 IonicContact OE1-CZ 3.25Å; E112-R114 PolarHBondContact OE1-N 3.06Å; E112-R114 VanDerWaalsContact OE1-N 3.12Å; E112-R114 IonicContact OE1-NH1 2.8Å; E112-R114 PolarHBondContact OE1-NH1 3.06Å; E112-R114 IonicContact OE2-NH1 3.67Å; E112-F174 PolarHBondContact N-O 3.31Å; E112-E175 CarbonylContact O-C 3.59Å; E112-A176 WeakPolarHBondContact O-CA 3.34Å; E112-A176 PolarHBondContact O-N 3.36Å; E112-V177 CarbonylContact C-O 3.49Å; E112-V177 PolarHBondContact N-O 3.03Å; E112-V177 PolarHBondContact O-N 2.97Å
113K94.8Very high95.5Very high97 Ų9730.4 Ų30.442%0.42215%0.145SC..SBendtrans-65.3-16.5-17964-171.5172.4-1590115.4V177 S178K113-V177 PolarHBondContact N-O 3.47Å; K113-S178 WeakPolarHBondContact CB-OG 3.31Å
114R93.9Very high95.2Very high103 Ų10331.9 Ų31.939%0.38915%0.152SC..  trans-99.9152.9178.4-59173.5-169.389.2-10.1111E112 A176E112-R114 HydrophobicContact CG-CB 4.24Å; E112-R114 PolarHBondContact O-N 3.48Å; E112-R114 VanDerWaalsContact OE1-CB 3.3Å; E112-R114 WeakPolarHBondContact OE1-CB 3.36Å; E112-R114 WeakPolarHBondContact OE1-CG 3.37Å; E112-R114 IonicContact OE1-CZ 3.25Å; E112-R114 PolarHBondContact OE1-N 3.06Å; E112-R114 VanDerWaalsContact OE1-N 3.12Å; E112-R114 IonicContact OE1-NH1 2.8Å; E112-R114 PolarHBondContact OE1-NH1 3.06Å; E112-R114 IonicContact OE2-NH1 3.67Å; R114-A176 PolarHBondContact O-N 2.82Å; R114-A176 VanDerWaalsContact O-N 3.15Å
115S91.7Very high94.9Very high65 Ų6531.9 Ų31.946%0.45515%0.152SC..SBendtrans-95.95.1169.752.30000113.9
116K94.1Very high94.8Very high97 Ų9732.5 Ų32.542%0.42215%0.154SC..SBendtrans-153.8143.7178.159.6-176.9-176179.70113.9H356K116-H356 PolarHBondContact NZ-O 3.2Å
117F95.8Very high94.6Very high25 Ų2535.7 Ų35.711%0.1118%0.175CC..  trans-81.6122.4160.9-53.1-31.7000108.2F21 A90 L95 H156 Q159 L163F21-F117 HydrophobicContact CB-CD1 4.45Å; F21-F117 HydrophobicContact CB-CD2 4.08Å; F21-F117 HydrophobicContact CB-CE2 4.22Å; F21-F117 HydrophobicContact CB-CG 4.21Å; F21-F117 HydrophobicContact CB-CZ 4.46Å; F21-F117 HydrophobicContact CD1-CD1 4.01Å; F21-F117 AromaticContact CD1-CE1 3.76Å; F21-F117 HydrophobicContact CD1-CE1 3.76Å; F21-F117 HydrophobicContact CD1-CZ 4.13Å; F21-F117 HydrophobicContact CD2-CE1 4.1Å; F21-F117 AromaticContact CD2-CE2 3.89Å; F21-F117 HydrophobicContact CD2-CE2 3.89Å; F21-F117 AromaticContact CD2-CZ 3.61Å; F21-F117 HydrophobicContact CD2-CZ 3.61Å; F21-F117 HydrophobicContact CE1-CD1 4.43Å; F21-F117 AromaticContact CE1-CE1 3.81Å; F21-F117 HydrophobicContact CE1-CE1 3.81Å; F21-F117 HydrophobicContact CE1-CZ 4.24Å; F21-F117 HydrophobicContact CE2-CE1 4.12Å; F21-F117 HydrophobicContact CE2-CE2 4.39Å; F21-F117 AromaticContact CE2-CZ 3.69Å; F21-F117 HydrophobicContact CE2-CZ 3.69Å; F21-F117 HydrophobicContact CG-CD1 4.2Å; F21-F117 HydrophobicContact CG-CD2 4.32Å; F21-F117 AromaticContact CG-CE1 3.9Å; F21-F117 HydrophobicContact CG-CE1 3.9Å; F21-F117 HydrophobicContact CG-CE2 4.04Å; F21-F117 HydrophobicContact CG-CG 4.4Å; F21-F117 AromaticContact CG-CZ 3.82Å; F21-F117 HydrophobicContact CG-CZ 3.82Å; F21-F117 AromaticContact CZ-CE1 3.99Å; F21-F117 HydrophobicContact CZ-CE1 3.99Å; F21-F117 HydrophobicContact CZ-CZ 4.02Å; A90-F117 HydrophobicContact CB-CE1 4.12Å; A90-F117 HydrophobicContact CB-CZ 4.4Å; L95-F117 HydrophobicContact CD1-CZ 4.2Å; F117-H156 HydrophobicContact CB-CB 3.95Å; F117-Q159 HydrophobicContact CB-CB 4.39Å; F117-Q159 HydrophobicContact CD1-CB 4.05Å; F117-Q159 HydrophobicContact CD1-CG 4.42Å; F117-Q159 HydrophobicContact CD2-CB 3.49Å; F117-Q159 VanDerWaalsContact CD2-CB 3.49Å; F117-Q159 HydrophobicContact CE1-CB 4.15Å; F117-Q159 HydrophobicContact CE2-CB 3.61Å; F117-Q159 HydrophobicContact CG-CB 3.72Å; F117-Q159 HydrophobicContact CG-CG 4.44Å; F117-Q159 HydrophobicContact CZ-CB 3.95Å; F117-L163 HydrophobicContact CE2-CB 4.16Å; F117-L163 HydrophobicContact CE2-CD2 3.73Å; F117-L163 HydrophobicContact CZ-CB 4.42Å; F117-L163 HydrophobicContact CZ-CD2 4.02Å
118S93.1Very high94.6Very high30 Ų3035.2 Ų35.221%0.2117%0.173CC..  trans-151.427.9-166.267.50000113.4H356S118-H356 VanDerWaalsContact OG-CB 3.27Å; S118-H356 WeakPolarHBondContact OG-CB 3.39Å
119R94.6Very high94.6Very high86 Ų8635 Ų3533%0.32517%0.172SC..  trans-106.7109176.6-71.8-179.8-69.5176.3-0.6107.6I155 H156R119-I155 HydrophobicContact CB-CB 3.96Å; R119-I155 HydrophobicContact CB-CD1 4.08Å; R119-I155 HydrophobicContact CB-CG2 4.05Å; R119-I155 VanDerWaalsContact CZ-CG2 3.47Å; R119-H156 PolarHBondContact O-CD2 3.22Å; R119-H156 PolarHBondContact O-N 2.96Å
120N94.9Very high94.5Very high28 Ų2836 Ų3615%0.1518%0.177CC..  trans-80.8-26.6-177.8-54.6-32.1000111.9S154 N244 P354 D361N120-S154 WeakPolarHBondContact O-CB 3.29Å; N120-N244 HydrophobicContact CB-CB 4.39Å; N120-P354 PolarHBondContact ND2-O 3.49Å; N120-D361 WeakPolarHBondContact CB-OD2 3.25Å; N120-D361 PolarHBondContact ND2-OD2 3.27Å
121N95.1Very high94.4Very high24 Ų2437.9 Ų37.913%0.12819%0.185CC..  trans-44.6140.4178.2-70.617.5000112.6I155 T242 N244 Y294N121-I155 HydrophobicContact CB-CD1 4.03Å; N121-I155 VanDerWaalsContact O-CG1 3.26Å; N121-I155 WeakPolarHBondContact O-CG1 3.47Å; N121-I155 PolarHBondContact O-N 2.71Å; N121-T242 PolarHBondContact ND2-OG1 2.97Å; N121-N244 PolarHBondContact OD1-ND2 3.41Å; N121-Y294 HydrophobicContact CB-CD2 4.3Å; N121-Y294 HydrophobicContact CB-CE2 3.7Å
122V94.3Very high94.5Very high7 Ų738.3 Ų38.34%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-100.7135.6-170.1176.20000111H152 Y288 D290 Y294V122-H152 HydrophobicContact CG1-CB 3.57Å; V122-Y288 HydrophobicContact CB-CD2 4.19Å; V122-Y288 HydrophobicContact CG1-CD2 3.73Å; V122-Y288 HydrophobicContact CG1-CG 4.14Å; V122-D290 HydrophobicContact CG1-CB 4.34Å; V122-D290 HydrophobicContact CG2-CB 3.52Å; V122-Y294 HydrophobicContact CB-CD1 3.62Å; V122-Y294 HydrophobicContact CB-CD2 4.46Å; V122-Y294 HydrophobicContact CB-CE1 4.11Å; V122-Y294 HydrophobicContact CB-CG 3.76Å; V122-Y294 HydrophobicContact CG2-CD1 4.19Å; V122-Y294 HydrophobicContact CG2-CG 3.84Å
123L93.1Very high94.5Very high43 Ų4338.1 Ų38.123%0.22519%0.187CC..EExtended strand (participates in β ladder)trans-101.4128.2176-58.1177.6000109.6H152 I153 I155 L158 C407L123-H152 CarbonylContact O-C 3.53Å; L123-H152 WeakPolarHBondContact O-CA 3.31Å; L123-H152 VanDerWaalsContact O-CB 3.24Å; L123-H152 WeakPolarHBondContact O-CB 3.42Å; L123-I153 PolarHBondContact N-O 2.9Å; L123-I153 PolarHBondContact O-N 3.03Å; L123-I155 HydrophobicContact CD1-CG1 3.84Å; L123-I155 HydrophobicContact CD2-CD1 4.17Å; L123-I155 HydrophobicContact CD2-CG1 3.79Å; L123-I155 HydrophobicContact CG-CD1 4.49Å; L123-I155 HydrophobicContact CG-CG1 3.59Å; L123-L158 HydrophobicContact CD1-CD2 3.96Å; L123-C407 HydrophobicContact CD1-CB 4.33Å
124H90.8Very high94.6Very high32 Ų3239 Ų3915%0.14819%0.187CC..EExtended strand (participates in β ladder)trans-69147.3160.4174.875.7000110.6W126 D151 Y288H124-W126 AromaticContact CD2-CD1 3.77Å; H124-W126 AromaticContact NE2-CD1 3.67Å; H124-D151 VanDerWaalsContact CE1-CG 3.4Å; H124-D151 IonicContact CE1-OD1 2.85Å; H124-D151 PolarHBondContact CE1-OD1 3.4Å; H124-D151 IonicContact CE1-OD2 3.93Å; H124-D151 PolarHBondContact CE1-OD2 2.86Å; H124-D151 VanDerWaalsContact CE1-OD2 3.25Å; H124-D151 VanDerWaalsContact ND1-CG 3.33Å; H124-D151 IonicContact ND1-OD1 3.67Å; H124-D151 PolarHBondContact ND1-OD1 2.79Å; H124-D151 IonicContact ND1-OD2 2.79Å; H124-Y288 HydrophobicContact CB-CE2 4.36Å
125I91.8Very high94.7Very high1 Ų135.7 Ų35.71%0.00518%0.18CC..  trans-129117.3-170.2-50.9174.7000109.5V129 I130 F145 D151 I153I125-V129 HydrophobicContact CG2-CB 3.46Å; I125-V129 VanDerWaalsContact CG2-CB 3.46Å; I125-V129 HydrophobicContact CG2-CG1 3.47Å; I125-V129 VanDerWaalsContact CG2-CG1 3.47Å; I125-I130 HydrophobicContact CB-CG1 4.1Å; I125-I130 HydrophobicContact CG2-CG1 3.63Å; I125-F145 HydrophobicContact CD1-CE2 4.08Å; I125-D151 WeakPolarHBondContact CA-O 3.06Å; I125-D151 VanDerWaalsContact CB-O 3.25Å; I125-D151 WeakPolarHBondContact CB-O 3.49Å; I125-D151 PolarHBondContact N-O 3Å; I125-I153 HydrophobicContact CD1-CB 3.81Å; I125-I153 HydrophobicContact CD1-CG2 3.47Å; I125-I153 VanDerWaalsContact CD1-CG2 3.47Å; I125-I153 HydrophobicContact CG1-CG2 4.08Å
126W93.1Very high95Very high13 Ų1332.7 Ų32.75%0.04916%0.159CC..  trans-66.4154.2176.6-67.82.1000112.4H124 F128 V129 I130 A408 S448 P450 L453H124-W126 AromaticContact CD2-CD1 3.77Å; H124-W126 AromaticContact NE2-CD1 3.67Å; W126-F128 VanDerWaalsContact C-N 3.26Å; W126-F128 HydrophobicContact CB-CD1 4.18Å; W126-F128 HydrophobicContact CB-CE1 4.3Å; W126-F128 HydrophobicContact CE3-CD1 4.35Å; W126-F128 AromaticContact CE3-CE1 3.89Å; W126-F128 HydrophobicContact CE3-CE1 3.89Å; W126-F128 PolarHBondContact O-N 3.34Å; W126-V129 PolarHBondContact O-N 3.36Å; W126-I130 PolarHBondContact O-N 2.9Å; W126-A408 HydrophobicContact CB-CB 4.03Å; W126-A408 HydrophobicContact CD2-CB 3.26Å; W126-A408 HydrophobicContact CE3-CB 3.37Å; W126-A408 HydrophobicContact CG-CB 3.61Å; W126-A408 HydrophobicContact CH2-CB 4.23Å; W126-A408 HydrophobicContact CZ2-CB 4.23Å; W126-A408 HydrophobicContact CZ3-CB 3.85Å; W126-S448 WeakPolarHBondContact CH2-O 3.29Å; W126-P450 HydrophobicContact CD2-CG 3.7Å; W126-P450 HydrophobicContact CE3-CG 3.88Å; W126-P450 HydrophobicContact CG-CG 4.07Å; W126-P450 HydrophobicContact CZ2-CG 4.45Å; W126-P450 HydrophobicContact CZ3-CG 4.38Å; W126-L453 HydrophobicContact CE3-CD1 4.16Å; W126-L453 HydrophobicContact CZ3-CD1 3.95Å
127P94Very high95.1Very high70 Ų7028.1 Ų28.146%0.45514%0.139SC..Hα-helixtrans-50.6-37-176.1-32.137.2000115.7I130 E131 L457P127-I130 PolarHBondContact O-N 3.23Å; P127-E131 PolarHBondContact O-N 2.89Å; P127-E131 VanDerWaalsContact O-N 3.15Å; P127-L457 HydrophobicContact CB-CD1 3.54Å
128F96Very high95.2Very high7 Ų726.9 Ų26.93%0.03113%0.134CC..Hα-helixtrans-69.3-33.4178.287.3-98.8000112.7W126 E131 D132 A408 F411 L412 F415 L453 L457 Y460W126-F128 VanDerWaalsContact C-N 3.26Å; W126-F128 HydrophobicContact CB-CD1 4.18Å; W126-F128 HydrophobicContact CB-CE1 4.3Å; W126-F128 HydrophobicContact CE3-CD1 4.35Å; W126-F128 AromaticContact CE3-CE1 3.89Å; W126-F128 HydrophobicContact CE3-CE1 3.89Å; W126-F128 PolarHBondContact O-N 3.34Å; F128-E131 PolarHBondContact O-N 3.29Å; F128-D132 WeakPolarHBondContact O-CB 3.33Å; F128-D132 PolarHBondContact O-N 3.19Å; F128-A408 HydrophobicContact CE1-CB 3.81Å; F128-A408 HydrophobicContact CZ-CB 4.06Å; F128-F411 HydrophobicContact CE2-CB 4.33Å; F128-L412 HydrophobicContact CE1-CD1 4.46Å; F128-L412 HydrophobicContact CE1-CD2 4.49Å; F128-L412 HydrophobicContact CE1-CG 4.29Å; F128-L412 HydrophobicContact CE2-CD2 4.36Å; F128-L412 HydrophobicContact CE2-CG 4.46Å; F128-L412 HydrophobicContact CZ-CD1 4.37Å; F128-L412 HydrophobicContact CZ-CD2 4.02Å; F128-L412 HydrophobicContact CZ-CG 3.75Å; F128-F415 HydrophobicContact CE2-CE2 4.01Å; F128-L453 HydrophobicContact CD1-CD1 4.31Å; F128-L453 HydrophobicContact CE1-CD1 4.21Å; F128-L457 HydrophobicContact CB-CD2 4.06Å; F128-Y460 HydrophobicContact CB-CD2 3.75Å; F128-Y460 HydrophobicContact CB-CE2 3.41Å; F128-Y460 VanDerWaalsContact CB-CE2 3.41Å; F128-Y460 HydrophobicContact CD1-CE2 4.13Å; F128-Y460 AromaticContact CD2-CD2 3.78Å; F128-Y460 HydrophobicContact CD2-CD2 3.78Å; F128-Y460 AromaticContact CD2-CE2 3.84Å; F128-Y460 HydrophobicContact CD2-CE2 3.84Å; F128-Y460 AromaticContact CG-CD2 3.91Å; F128-Y460 HydrophobicContact CG-CD2 3.91Å; F128-Y460 AromaticContact CG-CE2 3.53Å; F128-Y460 HydrophobicContact CG-CE2 3.53Å
129V96.9Very high95.2Very high0 Ų029 Ų290%014%0.139CC..Hα-helixtrans-73.4-33.8178-178.60000110.1I125 W126 E131 D132 L133 A408 F411I125-V129 HydrophobicContact CG2-CB 3.46Å; I125-V129 VanDerWaalsContact CG2-CB 3.46Å; I125-V129 HydrophobicContact CG2-CG1 3.47Å; I125-V129 VanDerWaalsContact CG2-CG1 3.47Å; W126-V129 PolarHBondContact O-N 3.36Å; V129-E131 VanDerWaalsContact C-N 3.34Å; V129-D132 PolarHBondContact O-N 3.05Å; V129-L133 HydrophobicContact CG1-CD1 3.86Å; V129-L133 HydrophobicContact CG1-CG 4.18Å; V129-L133 WeakPolarHBondContact O-CB 3.37Å; V129-L133 VanDerWaalsContact O-CG 3.26Å; V129-L133 WeakPolarHBondContact O-CG 3.21Å; V129-L133 PolarHBondContact O-N 2.97Å; V129-A408 HydrophobicContact CG2-CB 4.25Å; V129-F411 HydrophobicContact CG1-CD2 3.79Å; V129-F411 HydrophobicContact CG1-CE2 3.75Å; V129-F411 HydrophobicContact CG1-CG 4.45Å; V129-F411 HydrophobicContact CG1-CZ 4.4Å; V129-F411 HydrophobicContact CG2-CB 4.45Å; V129-F411 HydrophobicContact CG2-CD2 4.34Å
130I95.9Very high95.1Very high22 Ų2229 Ų2911%0.11314%0.144CC..Hα-helixtrans-60.4-44.9170.6-58.1179000110.4I125 W126 P127 R134 F145 C146 D151I125-I130 HydrophobicContact CB-CG1 4.1Å; I125-I130 HydrophobicContact CG2-CG1 3.63Å; W126-I130 PolarHBondContact O-N 2.9Å; P127-I130 PolarHBondContact O-N 3.23Å; I130-R134 WeakPolarHBondContact O-CB 3.28Å; I130-R134 PolarHBondContact O-N 3.09Å; I130-F145 HydrophobicContact CG2-CE1 4.34Å; I130-F145 HydrophobicContact CG2-CZ 4.44Å; I130-C146 HydrophobicContact CG2-CB 4.05Å; I130-D151 HydrophobicContact CD1-CB 4.22Å
131E96Very high95.1Very high38 Ų3827.9 Ų27.918%0.17814%0.138CC..Hα-helixtrans-70.1-39.9178.4-168.164.5-175.300112.5P127 F128 V129 R134 S135 K458P127-E131 PolarHBondContact O-N 2.89Å; P127-E131 VanDerWaalsContact O-N 3.15Å; F128-E131 PolarHBondContact O-N 3.29Å; V129-E131 VanDerWaalsContact C-N 3.34Å; E131-R134 PolarHBondContact O-N 3.21Å; E131-R134 IonicContact OE2-CZ 2.8Å; E131-R134 IonicContact OE2-NH1 3.66Å; E131-R134 PolarHBondContact OE2-NH1 2.9Å; E131-S135 WeakPolarHBondContact O-CB 3.41Å; E131-S135 PolarHBondContact O-N 2.95Å; E131-K458 HydrophobicContact CG-CG 4.04Å; E131-K458 VanDerWaalsContact OE1-CE 3.27Å; E131-K458 WeakPolarHBondContact OE1-CE 3.35Å; E131-K458 WeakPolarHBondContact OE1-CG 3.27Å
132D98Very high95Very high12 Ų1228.1 Ų28.16%0.06414%0.137CC..Hα-helixtrans-59.7-52.3174.5179.769.7000111.5R68 R96 F128 V129 R134 S135 L136R68-D132 IonicContact CZ-OD1 2.73Å; R68-D132 IonicContact NH1-OD1 2.68Å; R68-D132 PolarHBondContact NH1-OD1 3.45Å; R68-D132 IonicContact NH2-OD1 3.06Å; R68-D132 PolarHBondContact NH2-OD1 3.07Å; R96-D132 IonicContact CZ-OD1 3.44Å; R96-D132 IonicContact CZ-OD2 2.79Å; R96-D132 IonicContact NE-OD1 3.38Å; R96-D132 IonicContact NE-OD2 2.67Å; R96-D132 PolarHBondContact NE-OD2 3.41Å; R96-D132 IonicContact NH2-OD1 3.83Å; R96-D132 PolarHBondContact NH2-OD1 3.25Å; R96-D132 IonicContact NH2-OD2 3.4Å; R96-D132 PolarHBondContact NH2-OD2 2.82Å; R96-D132 VanDerWaalsContact NH2-OD2 3.16Å; F128-D132 WeakPolarHBondContact O-CB 3.33Å; F128-D132 PolarHBondContact O-N 3.19Å; V129-D132 PolarHBondContact O-N 3.05Å; D132-R134 VanDerWaalsContact C-N 3.32Å; D132-R134 PolarHBondContact O-N 3.4Å; D132-S135 WeakPolarHBondContact O-CA 3.43Å; D132-S135 WeakPolarHBondContact O-CB 3.3Å; D132-S135 PolarHBondContact O-N 3.34Å; D132-S135 PolarHBondContact O-OG 3.27Å; D132-L136 PolarHBondContact O-N 3.46Å
133L97.8Very high94.8Very high0 Ų032.3 Ų32.30%017%0.165CC..Hα-helixtrans-63-37.5177.2-69.3173.3000112V129 S135 L136 G137 A138 F145 L158 L162 F411V129-L133 HydrophobicContact CG1-CD1 3.86Å; V129-L133 HydrophobicContact CG1-CG 4.18Å; V129-L133 WeakPolarHBondContact O-CB 3.37Å; V129-L133 VanDerWaalsContact O-CG 3.26Å; V129-L133 WeakPolarHBondContact O-CG 3.21Å; V129-L133 PolarHBondContact O-N 2.97Å; L133-S135 VanDerWaalsContact C-N 3.33Å; L133-L136 CarbonylContact O-C 3.41Å; L133-L136 PolarHBondContact O-N 3.04Å; L133-G137 PolarHBondContact O-N 2.9Å; L133-A138 HydrophobicContact CB-CB 3.94Å; L133-A138 WeakPolarHBondContact O-CB 3.44Å; L133-A138 PolarHBondContact O-N 2.78Å; L133-F145 HydrophobicContact CB-CE1 3.93Å; L133-F145 HydrophobicContact CB-CE2 4.32Å; L133-F145 HydrophobicContact CB-CZ 3.54Å; L133-F145 HydrophobicContact CD1-CE2 3.82Å; L133-F145 HydrophobicContact CD1-CZ 3.7Å; L133-F145 HydrophobicContact CG-CZ 4.28Å; L133-L158 HydrophobicContact CD1-CD1 3.63Å; L133-L158 HydrophobicContact CD2-CD1 3.84Å; L133-L158 HydrophobicContact CG-CD1 4.42Å; L133-L162 HydrophobicContact CD2-CD2 3.8Å; L133-L162 HydrophobicContact CD2-CG 4.41Å; L133-F411 HydrophobicContact CD2-CE2 4Å; L133-F411 HydrophobicContact CD2-CZ 4.21Å; L133-F411 HydrophobicContact CG-CE2 4.25Å
134R96Very high94.7Very high115 Ų11534.7 Ų34.743%0.43417%0.173SC..Hα-helixtrans-62-40.7172.2-177.4-177.1-67.4137.8-1.5111.3I130 E131 D132 L136 G137I130-R134 WeakPolarHBondContact O-CB 3.28Å; I130-R134 PolarHBondContact O-N 3.09Å; E131-R134 PolarHBondContact O-N 3.21Å; E131-R134 IonicContact OE2-CZ 2.8Å; E131-R134 IonicContact OE2-NH1 3.66Å; E131-R134 PolarHBondContact OE2-NH1 2.9Å; D132-R134 VanDerWaalsContact C-N 3.32Å; D132-R134 PolarHBondContact O-N 3.4Å; R134-L136 VanDerWaalsContact C-N 3.25Å; R134-L136 PolarHBondContact O-N 3.39Å; R134-G137 PolarHBondContact O-N 3.49Å
135S96.4Very high94.7Very high34 Ų3433.4 Ų33.424%0.23817%0.167CC..Hα-helixtrans-66.2-25.3175.883.40000113.3R68 E131 D132 L133 G137R68-S135 PolarHBondContact NH1-OG 3.36Å; E131-S135 WeakPolarHBondContact O-CB 3.41Å; E131-S135 PolarHBondContact O-N 2.95Å; D132-S135 WeakPolarHBondContact O-CA 3.43Å; D132-S135 WeakPolarHBondContact O-CB 3.3Å; D132-S135 PolarHBondContact O-N 3.34Å; D132-S135 PolarHBondContact O-OG 3.27Å; L133-S135 VanDerWaalsContact C-N 3.33Å; S135-G137 VanDerWaalsContact C-N 3.3Å
136L97.6Very high94.5Very high2 Ų234.2 Ų34.21%0.0117%0.173CC..THydrogen-bonded Turntrans-87.98.9171.5-61.9177.9000113.5L65 R68 I99 D132 L133 R134 L162 V165L65-L136 HydrophobicContact CD2-CD2 4.3Å; R68-L136 HydrophobicContact CG-CD2 4.3Å; I99-L136 HydrophobicContact CD1-CD1 4.34Å; I99-L136 HydrophobicContact CG2-CD1 4.42Å; I99-L136 HydrophobicContact CG2-CD2 4.26Å; D132-L136 PolarHBondContact O-N 3.46Å; L133-L136 CarbonylContact O-C 3.41Å; L133-L136 PolarHBondContact O-N 3.04Å; R134-L136 VanDerWaalsContact C-N 3.25Å; R134-L136 PolarHBondContact O-N 3.39Å; L136-L162 HydrophobicContact CD1-CD2 4.48Å; L136-V165 HydrophobicContact CB-CG1 4.41Å; L136-V165 HydrophobicContact CB-CG2 4.26Å; L136-V165 HydrophobicContact CD2-CG1 4.3Å; L136-V165 WeakPolarHBondContact O-CG2 3.34Å
137G96.5Very high94Very high1 Ų135.5 Ų35.51%0.0119%0.186CC..THydrogen-bonded Turntrans7819.4176.700000115.5L133 R134 S135 K139 M140 L141L133-G137 PolarHBondContact O-N 2.9Å; R134-G137 PolarHBondContact O-N 3.49Å; S135-G137 VanDerWaalsContact C-N 3.3Å; G137-K139 PolarHBondContact O-N 2.9Å; G137-M140 WeakPolarHBondContact O-CB 3.41Å; G137-M140 PolarHBondContact O-N 3.28Å; G137-L141 PolarHBondContact O-N 3.1Å
138A96.4Very high93.4Very high0 Ų036.3 Ų36.30%021%0.207CC..Hα-helixtrans-50.9-34.618000000113.8L133 M140 L141 Y142 F145 I161L133-A138 HydrophobicContact CB-CB 3.94Å; L133-A138 WeakPolarHBondContact O-CB 3.44Å; L133-A138 PolarHBondContact O-N 2.78Å; A138-M140 VanDerWaalsContact C-N 3.29Å; A138-M140 PolarHBondContact O-N 3.32Å; A138-L141 PolarHBondContact O-N 3.22Å; A138-Y142 PolarHBondContact O-N 2.97Å; A138-F145 HydrophobicContact CB-CD1 3.66Å; A138-F145 HydrophobicContact CB-CD2 4.43Å; A138-F145 HydrophobicContact CB-CE1 3.86Å; A138-F145 HydrophobicContact CB-CG 3.98Å; A138-F145 HydrophobicContact CB-CZ 4.35Å; A138-I161 HydrophobicContact CB-CD1 4.34Å; A138-I161 HydrophobicContact CB-CG2 3.77Å
139K93.4Very high92.5Very high73 Ų7339.7 Ų39.732%0.31723%0.232SC..Hα-helixtrans-67.7-24.7177.6-164.657.5164.1-179.40113.9G137 P143 F145G137-K139 PolarHBondContact O-N 2.9Å; K139-P143 VanDerWaalsContact CE-O 3.3Å; K139-P143 WeakPolarHBondContact CE-O 3.4Å; K139-P143 PolarHBondContact NZ-O 3.47Å; K139-P143 WeakPolarHBondContact O-CA 3.41Å; K139-F145 HydrophobicContact CD-CB 4.36Å; K139-F145 WeakPolarHBondContact CD-O 3.5Å; K139-F145 PolarHBondContact NZ-O 3.15Å
140M92.7Very high91.9Very high86 Ų8642.2 Ų42.242%0.42425%0.245SC..Hα-helixtrans-83.5-37.6173.7-57.9-65.492.300111.2G137 A138G137-M140 WeakPolarHBondContact O-CB 3.41Å; G137-M140 PolarHBondContact O-N 3.28Å; A138-M140 VanDerWaalsContact C-N 3.29Å; A138-M140 PolarHBondContact O-N 3.32Å
141L94.4Very high91.6Very high5 Ų543.5 Ų43.53%0.02625%0.252CS..Hα-helixtrans-80.3-21.9-178.4-60.7174.2000113.8V16 L61 G137 A138 I161 K164 V165V16-L141 HydrophobicContact CG2-CD2 4.33Å; L61-L141 HydrophobicContact CD2-CD2 3.96Å; G137-L141 PolarHBondContact O-N 3.1Å; A138-L141 PolarHBondContact O-N 3.22Å; L141-I161 HydrophobicContact CD1-CG2 4.37Å; L141-K164 HydrophobicContact CB-CD 4.3Å; L141-K164 HydrophobicContact CD1-CB 4.07Å; L141-K164 HydrophobicContact CD2-CB 4.22Å; L141-K164 HydrophobicContact CD2-CD 4.12Å; L141-K164 PolarHBondContact O-NZ 2.9Å; L141-V165 HydrophobicContact CD1-CG2 3.48Å; L141-V165 VanDerWaalsContact CD1-CG2 3.48Å
142Y93.7Very high91.4Very high30 Ų3041.9 Ų41.912%0.11824%0.244CC..  trans-149.492.7175.1179.4-128.1000109.4A138 K144 F145 I153 Q157 I161 E291A138-Y142 PolarHBondContact O-N 2.97Å; Y142-K144 HydrophobicContact CD2-CB 4.44Å; Y142-K144 HydrophobicContact CE1-CB 3.94Å; Y142-K144 HydrophobicContact CE2-CB 3.87Å; Y142-K144 HydrophobicContact CE2-CD 4.08Å; Y142-K144 HydrophobicContact CE2-CG 4.29Å; Y142-K144 PolarHBondContact O-N 2.98Å; Y142-K144 VanDerWaalsContact O-N 3.08Å; Y142-F145 HydrophobicContact CD1-CB 3.8Å; Y142-F145 WeakPolarHBondContact O-CB 3.33Å; Y142-F145 PolarHBondContact O-N 3.24Å; Y142-I153 HydrophobicContact CD1-CD1 4.26Å; Y142-I153 HydrophobicContact CE1-CD1 4.25Å; Y142-I153 HydrophobicContact CE1-CG1 4.39Å; Y142-Q157 HydrophobicContact CE1-CB 4.45Å; Y142-Q157 HydrophobicContact CE2-CG 4.36Å; Y142-I161 HydrophobicContact CD1-CD1 3.94Å; Y142-I161 HydrophobicContact CG-CD1 4.2Å; Y142-E291 PolarHBondContact OH-OE1 2.87Å
143P91.2Very high91.3Very high95 Ų9541.3 Ų41.362%0.61724%0.241SC*.THydrogen-bonded Turntrans-58.8-24.2-174.1-3037.5000115.9K139 F145K139-P143 VanDerWaalsContact CE-O 3.3Å; K139-P143 WeakPolarHBondContact CE-O 3.4Å; K139-P143 PolarHBondContact NZ-O 3.47Å; K139-P143 WeakPolarHBondContact O-CA 3.41Å; P143-F145 VanDerWaalsContact C-N 3.29Å; P143-F145 PolarHBondContact O-N 2.9Å
144K89.5Confident91.2Very high92 Ų9241.4 Ų41.440%0.424%0.242SC..THydrogen-bonded Turntrans-71-19.9173.7-67.2-177.7-179.5-176.80113.3Y142 C146 A147 E291Y142-K144 HydrophobicContact CD2-CB 4.44Å; Y142-K144 HydrophobicContact CE1-CB 3.94Å; Y142-K144 HydrophobicContact CE2-CB 3.87Å; Y142-K144 HydrophobicContact CE2-CD 4.08Å; Y142-K144 HydrophobicContact CE2-CG 4.29Å; Y142-K144 PolarHBondContact O-N 2.98Å; Y142-K144 VanDerWaalsContact O-N 3.08Å; K144-C146 PolarHBondContact O-N 3.13Å; K144-C146 VanDerWaalsContact O-N 3.16Å; K144-A147 WeakPolarHBondContact O-CB 3.37Å; K144-A147 PolarHBondContact O-N 3.47Å; K144-A147 VanDerWaalsContact O-N 3.08Å; K144-E291 WeakPolarHBondContact CD-OE1 3.37Å; K144-E291 WeakPolarHBondContact CE-OE1 3.32Å; K144-E291 VanDerWaalsContact NZ-CD 3.26Å; K144-E291 IonicContact NZ-OE1 2.71Å; K144-E291 PolarHBondContact NZ-OE1 3.3Å; K144-E291 IonicContact NZ-OE2 3.57Å; K144-E291 PolarHBondContact NZ-OE2 2.97Å
145F92Very high91.2Very high6 Ų636.8 Ų36.83%0.02623%0.226CC..THydrogen-bonded Turntrans-47.3118.7-175-177.1-113.3000112.7I125 I130 L133 A138 K139 Y142 P143 A147 I153 I161I125-F145 HydrophobicContact CD1-CE2 4.08Å; I130-F145 HydrophobicContact CG2-CE1 4.34Å; I130-F145 HydrophobicContact CG2-CZ 4.44Å; L133-F145 HydrophobicContact CB-CE1 3.93Å; L133-F145 HydrophobicContact CB-CE2 4.32Å; L133-F145 HydrophobicContact CB-CZ 3.54Å; L133-F145 HydrophobicContact CD1-CE2 3.82Å; L133-F145 HydrophobicContact CD1-CZ 3.7Å; L133-F145 HydrophobicContact CG-CZ 4.28Å; A138-F145 HydrophobicContact CB-CD1 3.66Å; A138-F145 HydrophobicContact CB-CD2 4.43Å; A138-F145 HydrophobicContact CB-CE1 3.86Å; A138-F145 HydrophobicContact CB-CG 3.98Å; A138-F145 HydrophobicContact CB-CZ 4.35Å; K139-F145 HydrophobicContact CD-CB 4.36Å; K139-F145 WeakPolarHBondContact CD-O 3.5Å; K139-F145 PolarHBondContact NZ-O 3.15Å; Y142-F145 HydrophobicContact CD1-CB 3.8Å; Y142-F145 WeakPolarHBondContact O-CB 3.33Å; Y142-F145 PolarHBondContact O-N 3.24Å; P143-F145 VanDerWaalsContact C-N 3.29Å; P143-F145 PolarHBondContact O-N 2.9Å; F145-A147 PolarHBondContact O-N 3.32Å; F145-A147 VanDerWaalsContact O-N 3.12Å; F145-I153 HydrophobicContact CD2-CD1 4.1Å; F145-I153 HydrophobicContact CE2-CD1 4.41Å; F145-I161 HydrophobicContact CD2-CD1 4.38Å
146C86.4Confident91.1Very high17 Ų1736.7 Ų36.712%0.11522%0.221CC..THydrogen-bonded Turntrans4049.6-178.3-62.50000113.5I130 K144 I150I130-C146 HydrophobicContact CG2-CB 4.05Å; K144-C146 PolarHBondContact O-N 3.13Å; K144-C146 VanDerWaalsContact O-N 3.16Å; C146-I150 VanDerWaalsContact CA-O 3.27Å; C146-I150 WeakPolarHBondContact CA-O 3.49Å; C146-I150 VanDerWaalsContact CB-O 3.29Å; C146-I150 WeakPolarHBondContact CB-O 3.41Å; C146-I150 PolarHBondContact SG-O 3.04Å
147A83Confident91Very high41 Ų4137.6 Ų37.634%0.33923%0.225SC..  trans-74.5131.8172.800000110.2K144 F145 S149 I150K144-A147 WeakPolarHBondContact O-CB 3.37Å; K144-A147 PolarHBondContact O-N 3.47Å; K144-A147 VanDerWaalsContact O-N 3.08Å; F145-A147 PolarHBondContact O-N 3.32Å; F145-A147 VanDerWaalsContact O-N 3.12Å; A147-S149 PolarHBondContact O-N 2.68Å; A147-I150 WeakPolarHBondContact O-CG1 3.29Å; A147-I150 PolarHBondContact O-N 2.89Å
148G81.4Confident91.1Very high87 Ų8737.5 Ų37.590%0.89723%0.225SC*.THydrogen-bonded Turntrans65.8-118.5-177.500000111.7
149S77.5Confident91.2Very high77 Ų7737.7 Ų37.754%0.53823%0.226SC..THydrogen-bonded Turntrans-101.22.7-179.852.10000114.5A147 D151A147-S149 PolarHBondContact O-N 2.68Å; S149-D151 PolarHBondContact O-N 3.35Å
150I84.2Confident91.4Very high54 Ų5434.3 Ų34.328%0.27721%0.211SC..  trans-60.7120.5-179.3-66.1169.5000110.1C146 A147 H152C146-I150 VanDerWaalsContact CA-O 3.27Å; C146-I150 WeakPolarHBondContact CA-O 3.49Å; C146-I150 VanDerWaalsContact CB-O 3.29Å; C146-I150 WeakPolarHBondContact CB-O 3.41Å; C146-I150 PolarHBondContact SG-O 3.04Å; A147-I150 WeakPolarHBondContact O-CG1 3.29Å; A147-I150 PolarHBondContact O-N 2.89Å; I150-H152 WeakPolarHBondContact CG2-O 3.48Å
151D89.4Confident91.7Very high49 Ų4930.3 Ų30.326%0.26219%0.191SC..  trans-115.818.3177.870.817.6000113.3H124 I125 I130 S149H124-D151 VanDerWaalsContact CE1-CG 3.4Å; H124-D151 IonicContact CE1-OD1 2.85Å; H124-D151 PolarHBondContact CE1-OD1 3.4Å; H124-D151 IonicContact CE1-OD2 3.93Å; H124-D151 PolarHBondContact CE1-OD2 2.86Å; H124-D151 VanDerWaalsContact CE1-OD2 3.25Å; H124-D151 VanDerWaalsContact ND1-CG 3.33Å; H124-D151 IonicContact ND1-OD1 3.67Å; H124-D151 PolarHBondContact ND1-OD1 2.79Å; H124-D151 IonicContact ND1-OD2 2.79Å; I125-D151 WeakPolarHBondContact CA-O 3.06Å; I125-D151 VanDerWaalsContact CB-O 3.25Å; I125-D151 WeakPolarHBondContact CB-O 3.49Å; I125-D151 PolarHBondContact N-O 3Å; I130-D151 HydrophobicContact CD1-CB 4.22Å; S149-D151 PolarHBondContact O-N 3.35Å
152H92.6Very high91.9Very high3 Ų330 Ų301%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-131.7169.5-17958.673.6000113.4V122 L123 I150 E258 Y288 D290V122-H152 HydrophobicContact CG1-CB 3.57Å; L123-H152 CarbonylContact O-C 3.53Å; L123-H152 WeakPolarHBondContact O-CA 3.31Å; L123-H152 VanDerWaalsContact O-CB 3.24Å; L123-H152 WeakPolarHBondContact O-CB 3.42Å; I150-H152 WeakPolarHBondContact CG2-O 3.48Å; H152-E258 IonicContact CE1-OE1 3.84Å; H152-E258 IonicContact NE2-OE1 2.87Å; H152-E258 PolarHBondContact NE2-OE1 3.13Å; H152-E258 IonicContact NE2-OE2 2.59Å; H152-E258 PolarHBondContact NE2-OE2 3.45Å; H152-Y288 HydrophobicContact CB-CD2 4.4Å; H152-Y288 HydrophobicContact CB-CG 4.37Å; H152-Y288 AromaticContact CD2-CD1 3.53Å; H152-Y288 AromaticContact CD2-CG 3.82Å; H152-Y288 AromaticContact CG-CG 3.96Å; H152-D290 IonicContact CE1-OD2 3.81Å; H152-D290 IonicContact ND1-OD2 3.8Å; H152-D290 PolarHBondContact ND1-OD2 3.18Å
153I95Very high92.1Very high1 Ų128.6 Ų28.61%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-155.1143.5174-165171.3000111.2L123 I125 Y142 F145 Q157 L158 I161 D290L123-I153 PolarHBondContact N-O 2.9Å; L123-I153 PolarHBondContact O-N 3.03Å; I125-I153 HydrophobicContact CD1-CB 3.81Å; I125-I153 HydrophobicContact CD1-CG2 3.47Å; I125-I153 VanDerWaalsContact CD1-CG2 3.47Å; I125-I153 HydrophobicContact CG1-CG2 4.08Å; Y142-I153 HydrophobicContact CD1-CD1 4.26Å; Y142-I153 HydrophobicContact CE1-CD1 4.25Å; Y142-I153 HydrophobicContact CE1-CG1 4.39Å; F145-I153 HydrophobicContact CD2-CD1 4.1Å; F145-I153 HydrophobicContact CE2-CD1 4.41Å; I153-Q157 HydrophobicContact CD1-CB 3.93Å; I153-Q157 HydrophobicContact CG1-CB 3.84Å; I153-L158 HydrophobicContact CD1-CB 4.11Å; I153-L158 HydrophobicContact CG2-CB 3.86Å; I153-L158 HydrophobicContact CG2-CD2 4.19Å; I153-L158 HydrophobicContact CG2-CG 4.44Å; I153-I161 HydrophobicContact CD1-CD1 3.63Å; I153-D290 VanDerWaalsContact CA-OD2 3.3Å; I153-D290 WeakPolarHBondContact CA-OD2 3.41Å
154S95.4Very high92.5Very high1 Ų124.4 Ų24.41%0.00716%0.156CC..EExtended strand (participates in β ladder)trans-59.7144.6166.782.70000112.3N120 H156 Q157 L158 D290N120-S154 WeakPolarHBondContact O-CB 3.29Å; S154-H156 VanDerWaalsContact C-N 3.28Å; S154-H156 PolarHBondContact O-N 3.21Å; S154-H156 PolarHBondContact OG-CD2 2.98Å; S154-H156 PolarHBondContact OG-NE2 2.93Å; S154-Q157 PolarHBondContact O-N 3.25Å; S154-Q157 WeakPolarHBondContact OG-CB 3.24Å; S154-Q157 VanDerWaalsContact OG-CG 3.22Å; S154-Q157 WeakPolarHBondContact OG-CG 3.39Å; S154-Q157 PolarHBondContact OG-N 3.41Å; S154-L158 PolarHBondContact O-N 3.4Å; S154-D290 PolarHBondContact N-OD1 3.35Å; S154-D290 PolarHBondContact N-OD2 3.43Å
155I96.2Very high92.9Very high19 Ų1920 Ų2010%0.09714%0.137CC..Hα-helixtrans-57.1-42.9-178.3-67.3161.4000111.1P92 R119 N121 L123 L158 Q159P92-I155 HydrophobicContact CG-CG2 4.37Å; R119-I155 HydrophobicContact CB-CB 3.96Å; R119-I155 HydrophobicContact CB-CD1 4.08Å; R119-I155 HydrophobicContact CB-CG2 4.05Å; R119-I155 VanDerWaalsContact CZ-CG2 3.47Å; N121-I155 HydrophobicContact CB-CD1 4.03Å; N121-I155 VanDerWaalsContact O-CG1 3.26Å; N121-I155 WeakPolarHBondContact O-CG1 3.47Å; N121-I155 PolarHBondContact O-N 2.71Å; L123-I155 HydrophobicContact CD1-CG1 3.84Å; L123-I155 HydrophobicContact CD2-CD1 4.17Å; L123-I155 HydrophobicContact CD2-CG1 3.79Å; L123-I155 HydrophobicContact CG-CD1 4.49Å; L123-I155 HydrophobicContact CG-CG1 3.59Å; I155-L158 PolarHBondContact O-N 2.94Å; I155-Q159 HydrophobicContact CG2-CG 4.42Å; I155-Q159 WeakPolarHBondContact O-CG 3.48Å; I155-Q159 PolarHBondContact O-N 3.29Å
156H95.3Very high93.2Very high31 Ų3119.8 Ų19.814%0.14414%0.136CC..Hα-helixtrans-67.4-36.3-178.476.895.3000113.1F117 R119 S154 Q159 C160F117-H156 HydrophobicContact CB-CB 3.95Å; R119-H156 PolarHBondContact O-CD2 3.22Å; R119-H156 PolarHBondContact O-N 2.96Å; S154-H156 VanDerWaalsContact C-N 3.28Å; S154-H156 PolarHBondContact O-N 3.21Å; S154-H156 PolarHBondContact OG-CD2 2.98Å; S154-H156 PolarHBondContact OG-NE2 2.93Å; H156-Q159 PolarHBondContact O-N 3.11Å; H156-C160 PolarHBondContact O-N 2.79Å; H156-C160 PolarHBondContact O-SG 3.13Å; H156-C160 VanDerWaalsContact O-SG 3.32Å
157Q95.9Very high93.7Very high21 Ų2119.1 Ų19.110%0.09813%0.132CC..Hα-helixtrans-67-39.6175.9-68.3-65.63.200111.4Y142 I153 S154 Q159 C160 I161 E291Y142-Q157 HydrophobicContact CE1-CB 4.45Å; Y142-Q157 HydrophobicContact CE2-CG 4.36Å; I153-Q157 HydrophobicContact CD1-CB 3.93Å; I153-Q157 HydrophobicContact CG1-CB 3.84Å; S154-Q157 PolarHBondContact O-N 3.25Å; S154-Q157 WeakPolarHBondContact OG-CB 3.24Å; S154-Q157 VanDerWaalsContact OG-CG 3.22Å; S154-Q157 WeakPolarHBondContact OG-CG 3.39Å; S154-Q157 PolarHBondContact OG-N 3.41Å; Q157-Q159 VanDerWaalsContact C-N 3.34Å; Q157-Q159 PolarHBondContact O-N 2.91Å; Q157-C160 WeakPolarHBondContact O-CB 3.41Å; Q157-C160 PolarHBondContact O-N 2.84Å; Q157-C160 VanDerWaalsContact O-N 3.17Å; Q157-I161 WeakPolarHBondContact O-CG1 3.38Å; Q157-I161 PolarHBondContact O-N 3.43Å; Q157-E291 HydrophobicContact CG-CG 4.3Å
158L97.6Very high94.4Very high0 Ų017.2 Ų17.20%012%0.116CC..Hα-helixtrans-61.9-41.9173.8-176.256.8000112P92 L123 L133 I153 S154 I155 C160 I161 L162P92-L158 HydrophobicContact CB-CD2 3.73Å; P92-L158 HydrophobicContact CB-CG 4.05Å; P92-L158 HydrophobicContact CG-CD2 3.98Å; P92-L158 HydrophobicContact CG-CG 4.24Å; L123-L158 HydrophobicContact CD1-CD2 3.96Å; L133-L158 HydrophobicContact CD1-CD1 3.63Å; L133-L158 HydrophobicContact CD2-CD1 3.84Å; L133-L158 HydrophobicContact CG-CD1 4.42Å; I153-L158 HydrophobicContact CD1-CB 4.11Å; I153-L158 HydrophobicContact CG2-CB 3.86Å; I153-L158 HydrophobicContact CG2-CD2 4.19Å; I153-L158 HydrophobicContact CG2-CG 4.44Å; S154-L158 PolarHBondContact O-N 3.4Å; I155-L158 PolarHBondContact O-N 2.94Å; L158-C160 VanDerWaalsContact C-N 3.35Å; L158-I161 PolarHBondContact O-N 3.35Å; L158-L162 HydrophobicContact CD1-CD1 3.87Å; L158-L162 HydrophobicContact CD1-CG 4.17Å; L158-L162 HydrophobicContact CG-CD1 3.9Å; L158-L162 WeakPolarHBondContact O-CG 3.48Å; L158-L162 PolarHBondContact O-N 2.99Å; L158-L162 VanDerWaalsContact O-N 3.07Å
159Q98.2Very high95.2Very high4 Ų413.5 Ų13.52%0.0198%0.075CC..Hα-helixtrans-61.1-41.9172.8-68-177.5-98.200111.5A90 P92 L95 F117 I155 H156 Q157 L163A90-Q159 PolarHBondContact O-NE2 2.82Å; P92-Q159 HydrophobicContact CG-CG 3.98Å; L95-Q159 HydrophobicContact CD1-CB 4.26Å; L95-Q159 WeakPolarHBondContact CD1-O 3.4Å; F117-Q159 HydrophobicContact CB-CB 4.39Å; F117-Q159 HydrophobicContact CD1-CB 4.05Å; F117-Q159 HydrophobicContact CD1-CG 4.42Å; F117-Q159 HydrophobicContact CD2-CB 3.49Å; F117-Q159 VanDerWaalsContact CD2-CB 3.49Å; F117-Q159 HydrophobicContact CE1-CB 4.15Å; F117-Q159 HydrophobicContact CE2-CB 3.61Å; F117-Q159 HydrophobicContact CG-CB 3.72Å; F117-Q159 HydrophobicContact CG-CG 4.44Å; F117-Q159 HydrophobicContact CZ-CB 3.95Å; I155-Q159 HydrophobicContact CG2-CG 4.42Å; I155-Q159 WeakPolarHBondContact O-CG 3.48Å; I155-Q159 PolarHBondContact O-N 3.29Å; H156-Q159 PolarHBondContact O-N 3.11Å; Q157-Q159 VanDerWaalsContact C-N 3.34Å; Q157-Q159 PolarHBondContact O-N 2.91Å; Q159-L163 WeakPolarHBondContact O-CB 3.43Å; Q159-L163 PolarHBondContact O-N 3.42Å
160C98.1Very high96.1Very high1 Ų110 Ų101%0.0075%0.051CC..Hα-helixtrans-63.6-41.8176.7-730000113.4S19 I24 H156 Q157 L158 K164S19-C160 PolarHBondContact O-SG 3.05Å; I24-C160 HydrophobicContact CD1-CB 3.7Å; H156-C160 PolarHBondContact O-N 2.79Å; H156-C160 PolarHBondContact O-SG 3.13Å; H156-C160 VanDerWaalsContact O-SG 3.32Å; Q157-C160 WeakPolarHBondContact O-CB 3.41Å; Q157-C160 PolarHBondContact O-N 2.84Å; Q157-C160 VanDerWaalsContact O-N 3.17Å; L158-C160 VanDerWaalsContact C-N 3.35Å; C160-K164 VanDerWaalsContact O-CG 3.29Å; C160-K164 WeakPolarHBondContact O-CG 3.44Å; C160-K164 PolarHBondContact O-N 2.92Å; C160-K164 VanDerWaalsContact O-N 3.17Å
161I98.1Very high96.7Very high2 Ų27.5 Ų7.51%0.014%0.039CC..Hα-helixtrans-62.9-52.6176.6-67164.2000110.3A138 L141 Y142 F145 I153 Q157 L158 L163 K164 V165A138-I161 HydrophobicContact CB-CD1 4.34Å; A138-I161 HydrophobicContact CB-CG2 3.77Å; L141-I161 HydrophobicContact CD1-CG2 4.37Å; Y142-I161 HydrophobicContact CD1-CD1 3.94Å; Y142-I161 HydrophobicContact CG-CD1 4.2Å; F145-I161 HydrophobicContact CD2-CD1 4.38Å; I153-I161 HydrophobicContact CD1-CD1 3.63Å; Q157-I161 WeakPolarHBondContact O-CG1 3.38Å; Q157-I161 PolarHBondContact O-N 3.43Å; L158-I161 PolarHBondContact O-N 3.35Å; I161-L163 VanDerWaalsContact C-N 3.34Å; I161-L163 PolarHBondContact O-N 3.03Å; I161-K164 PolarHBondContact O-N 2.85Å; I161-V165 PolarHBondContact O-N 3.47Å; I161-V165 VanDerWaalsContact O-N 3.14Å
162L98.7Very high97Very high0 Ų05.6 Ų5.60%03%0.028CC..Hα-helixtrans-67-35.3-176.8-66166.6000112.1P92 L95 R96 I99 L133 L136 L158 V165 A166 F411P92-L162 HydrophobicContact CB-CD1 4.06Å; P92-L162 WeakPolarHBondContact O-CD1 3.24Å; L95-L162 HydrophobicContact CB-CB 3.66Å; L95-L162 HydrophobicContact CB-CD1 4.46Å; L95-L162 HydrophobicContact CD1-CB 4.12Å; R96-L162 HydrophobicContact CB-CD1 4.49Å; R96-L162 HydrophobicContact CB-CD2 4.43Å; I99-L162 HydrophobicContact CD1-CB 4.34Å; I99-L162 HydrophobicContact CD1-CD2 3.81Å; L133-L162 HydrophobicContact CD2-CD2 3.8Å; L133-L162 HydrophobicContact CD2-CG 4.41Å; L136-L162 HydrophobicContact CD1-CD2 4.48Å; L158-L162 HydrophobicContact CD1-CD1 3.87Å; L158-L162 HydrophobicContact CD1-CG 4.17Å; L158-L162 HydrophobicContact CG-CD1 3.9Å; L158-L162 WeakPolarHBondContact O-CG 3.48Å; L158-L162 PolarHBondContact O-N 2.99Å; L158-L162 VanDerWaalsContact O-N 3.07Å; L162-V165 PolarHBondContact O-N 3.37Å; L162-A166 VanDerWaalsContact O-CB 3.32Å; L162-A166 WeakPolarHBondContact O-CB 3.32Å; L162-A166 PolarHBondContact O-N 2.87Å; L162-F411 HydrophobicContact CD1-CE1 4.49Å; L162-F411 HydrophobicContact CD1-CZ 4.04Å; L162-F411 HydrophobicContact CD2-CZ 4.39Å
163L98.7Very high97.2Very high0 Ų05.8 Ų5.80%03%0.029CC..Hα-helixtrans-61-45.6173.7176.165.1000111.2F21 I24 L25 L95 F117 Q159 I161 V165 A166 L167 V173F21-L163 HydrophobicContact CD2-CD2 3.4Å; F21-L163 HydrophobicContact CE2-CD1 4.14Å; F21-L163 HydrophobicContact CE2-CD2 3.68Å; I24-L163 HydrophobicContact CB-CD2 3.97Å; I24-L163 HydrophobicContact CD1-CD2 4.14Å; I24-L163 HydrophobicContact CG2-CD2 3.72Å; I24-L163 HydrophobicContact CG2-CG 3.96Å; L25-L163 HydrophobicContact CD2-CD1 4.35Å; L95-L163 HydrophobicContact CD1-CB 4.14Å; L95-L163 HydrophobicContact CD2-CB 4.49Å; L95-L163 HydrophobicContact CD2-CD1 4.21Å; F117-L163 HydrophobicContact CE2-CB 4.16Å; F117-L163 HydrophobicContact CE2-CD2 3.73Å; F117-L163 HydrophobicContact CZ-CB 4.42Å; F117-L163 HydrophobicContact CZ-CD2 4.02Å; Q159-L163 WeakPolarHBondContact O-CB 3.43Å; Q159-L163 PolarHBondContact O-N 3.42Å; I161-L163 VanDerWaalsContact C-N 3.34Å; I161-L163 PolarHBondContact O-N 3.03Å; L163-V165 PolarHBondContact O-N 3.41Å; L163-A166 PolarHBondContact O-N 2.81Å; L163-L167 HydrophobicContact CD1-CD1 3.88Å; L163-L167 HydrophobicContact CD1-CD2 4.48Å; L163-L167 HydrophobicContact CD1-CG 3.99Å; L163-L167 HydrophobicContact CD2-CD1 4.49Å; L163-L167 HydrophobicContact CG-CD1 3.8Å; L163-L167 HydrophobicContact CG-CG 4.35Å; L163-L167 WeakPolarHBondContact O-CB 3.2Å; L163-L167 VanDerWaalsContact O-CG 3.23Å; L163-L167 WeakPolarHBondContact O-CG 3.49Å; L163-L167 PolarHBondContact O-N 3.03Å; L163-V173 HydrophobicContact CD1-CB 4.14Å; L163-V173 HydrophobicContact CD1-CG1 4.01Å; L163-V173 HydrophobicContact CD1-CG2 3.86Å
164K98.5Very high97.1Very high7 Ų76.5 Ų6.53%0.033%0.032CC..Hα-helixtrans-58.6-48.4177.1-71.4167.9-170.4176.70110.6F15 V16 A18 I24 L141 C160 I161 A166 L167 L168F15-K164 HydrophobicContact CE1-CB 4.1Å; F15-K164 HydrophobicContact CE1-CG 4.19Å; F15-K164 HydrophobicContact CE2-CB 4.39Å; F15-K164 HydrophobicContact CE2-CG 4.05Å; F15-K164 HydrophobicContact CZ-CB 3.69Å; F15-K164 HydrophobicContact CZ-CG 3.78Å; F15-K164 VanDerWaalsContact O-CE 3.26Å; F15-K164 WeakPolarHBondContact O-CE 3.48Å; V16-K164 PolarHBondContact O-NZ 3.07Å; A18-K164 WeakPolarHBondContact O-CE 3.2Å; A18-K164 PolarHBondContact O-NZ 3.28Å; I24-K164 HydrophobicContact CD1-CG 4.33Å; I24-K164 HydrophobicContact CG1-CG 4.43Å; I24-K164 HydrophobicContact CG2-CG 3.81Å; L141-K164 HydrophobicContact CB-CD 4.3Å; L141-K164 HydrophobicContact CD1-CB 4.07Å; L141-K164 HydrophobicContact CD2-CB 4.22Å; L141-K164 HydrophobicContact CD2-CD 4.12Å; L141-K164 PolarHBondContact O-NZ 2.9Å; C160-K164 VanDerWaalsContact O-CG 3.29Å; C160-K164 WeakPolarHBondContact O-CG 3.44Å; C160-K164 PolarHBondContact O-N 2.92Å; C160-K164 VanDerWaalsContact O-N 3.17Å; I161-K164 PolarHBondContact O-N 2.85Å; K164-A166 PolarHBondContact O-N 2.99Å; K164-L167 PolarHBondContact O-N 2.82Å; K164-L168 WeakPolarHBondContact O-CG 3.44Å; K164-L168 PolarHBondContact O-N 3.48Å
165V98.4Very high97Very high0 Ų06.9 Ų6.90%03%0.034CC..Hα-helixtrans-61.9-44.8178.4179.90000111.9L65 I99 L136 L141 I161 L162 L163 L167 L168 L169L65-V165 HydrophobicContact CD2-CG1 3.95Å; I99-V165 HydrophobicContact CD1-CB 3.79Å; I99-V165 HydrophobicContact CD1-CG1 3.7Å; I99-V165 HydrophobicContact CG1-CB 4.39Å; I99-V165 HydrophobicContact CG1-CG1 4Å; I99-V165 HydrophobicContact CG2-CG1 4.31Å; L136-V165 HydrophobicContact CB-CG1 4.41Å; L136-V165 HydrophobicContact CB-CG2 4.26Å; L136-V165 HydrophobicContact CD2-CG1 4.3Å; L136-V165 WeakPolarHBondContact O-CG2 3.34Å; L141-V165 HydrophobicContact CD1-CG2 3.48Å; L141-V165 VanDerWaalsContact CD1-CG2 3.48Å; I161-V165 PolarHBondContact O-N 3.47Å; I161-V165 VanDerWaalsContact O-N 3.14Å; L162-V165 PolarHBondContact O-N 3.37Å; L163-V165 PolarHBondContact O-N 3.41Å; V165-L167 PolarHBondContact O-N 2.78Å; V165-L168 PolarHBondContact O-N 2.89Å; V165-L169 HydrophobicContact CG1-CD1 4.01Å; V165-L169 WeakPolarHBondContact O-CG 3.38Å; V165-L169 PolarHBondContact O-N 3.24Å; V165-L169 VanDerWaalsContact O-N 3.14Å
166A98.6Very high96.9Very high0 Ų08 Ų80%05%0.046CC..Hα-helixtrans-58.4-48177.800000112.1I99 L162 L163 K164 L168 L169 G170 V171I99-A166 HydrophobicContact CG1-CB 4Å; L162-A166 VanDerWaalsContact O-CB 3.32Å; L162-A166 WeakPolarHBondContact O-CB 3.32Å; L162-A166 PolarHBondContact O-N 2.87Å; L163-A166 PolarHBondContact O-N 2.81Å; K164-A166 PolarHBondContact O-N 2.99Å; A166-L168 PolarHBondContact O-N 3.48Å; A166-L169 CarbonylContact O-C 3.09Å; A166-L169 PolarHBondContact O-N 3.34Å; A166-G170 PolarHBondContact O-N 3.04Å; A166-V171 HydrophobicContact CB-CB 4.01Å; A166-V171 HydrophobicContact CB-CG1 4.37Å; A166-V171 HydrophobicContact CB-CG2 4.03Å; A166-V171 VanDerWaalsContact O-CB 3.25Å; A166-V171 WeakPolarHBondContact O-CB 3.42Å; A166-V171 VanDerWaalsContact O-CG2 3.29Å; A166-V171 WeakPolarHBondContact O-CG2 3.44Å; A166-V171 PolarHBondContact O-N 2.97Å
167L97.8Very high96.8Very high4 Ų46.7 Ų6.72%0.0214%0.04CC..Hα-helixtrans-62.2-43.7177.9-67.7167.9000111.7F15 I24 L25 F28 F45 L163 K164 V165 L169 G170 V173F15-L167 HydrophobicContact CE2-CD1 4.09Å; I24-L167 HydrophobicContact CG2-CD1 3.7Å; L25-L167 HydrophobicContact CD2-CD1 3.93Å; L25-L167 HydrophobicContact CD2-CD2 3.87Å; F28-L167 HydrophobicContact CB-CD1 4.16Å; F28-L167 HydrophobicContact CD1-CB 4.07Å; F28-L167 HydrophobicContact CD1-CD1 4.31Å; F28-L167 HydrophobicContact CD1-CD2 3.83Å; F28-L167 HydrophobicContact CD1-CG 4.29Å; F28-L167 HydrophobicContact CD2-CB 3.83Å; F28-L167 HydrophobicContact CE1-CB 3.97Å; F28-L167 HydrophobicContact CE1-CD2 3.89Å; F28-L167 HydrophobicContact CE1-CG 4.45Å; F28-L167 HydrophobicContact CE2-CB 3.74Å; F28-L167 WeakPolarHBondContact CE2-O 3.4Å; F28-L167 HydrophobicContact CG-CB 3.98Å; F28-L167 HydrophobicContact CG-CD1 4.11Å; F28-L167 HydrophobicContact CG-CD2 4.42Å; F28-L167 HydrophobicContact CG-CG 4.4Å; F28-L167 HydrophobicContact CZ-CB 3.79Å; F28-L167 WeakPolarHBondContact CZ-O 3.35Å; F45-L167 WeakPolarHBondContact CE1-O 3.19Å; L163-L167 HydrophobicContact CD1-CD1 3.88Å; L163-L167 HydrophobicContact CD1-CD2 4.48Å; L163-L167 HydrophobicContact CD1-CG 3.99Å; L163-L167 HydrophobicContact CD2-CD1 4.49Å; L163-L167 HydrophobicContact CG-CD1 3.8Å; L163-L167 HydrophobicContact CG-CG 4.35Å; L163-L167 WeakPolarHBondContact O-CB 3.2Å; L163-L167 VanDerWaalsContact O-CG 3.23Å; L163-L167 WeakPolarHBondContact O-CG 3.49Å; L163-L167 PolarHBondContact O-N 3.03Å; K164-L167 PolarHBondContact O-N 2.82Å; V165-L167 PolarHBondContact O-N 2.78Å; L167-L169 PolarHBondContact O-N 3.22Å; L167-G170 PolarHBondContact O-N 3.21Å; L167-V173 HydrophobicContact CD2-CB 4.48Å; L167-V173 HydrophobicContact CD2-CG2 4.16Å
168L97.3Very high96.8Very high0 Ų07.4 Ų7.40%05%0.048CC..Hα-helixtrans-59.4-29.5176.4-69.5175.3000113.1F12 F15 L49 L61 W62 L65 K164 V165 A166 G170F12-L168 HydrophobicContact CE2-CD2 4.47Å; F15-L168 HydrophobicContact CE1-CD1 4.08Å; F15-L168 HydrophobicContact CE1-CD2 3.75Å; F15-L168 HydrophobicContact CE1-CG 3.88Å; F15-L168 HydrophobicContact CZ-CD2 4.09Å; F15-L168 HydrophobicContact CZ-CG 4Å; L49-L168 HydrophobicContact CD2-CD2 3.62Å; L61-L168 HydrophobicContact CD2-CD1 3.61Å; W62-L168 HydrophobicContact CH2-CD1 4.32Å; W62-L168 HydrophobicContact CH2-CD2 3.73Å; W62-L168 HydrophobicContact CZ3-CD1 4.01Å; W62-L168 HydrophobicContact CZ3-CD2 4.03Å; W62-L168 HydrophobicContact CZ3-CG 4.4Å; L65-L168 HydrophobicContact CD1-CD1 4.41Å; K164-L168 WeakPolarHBondContact O-CG 3.44Å; K164-L168 PolarHBondContact O-N 3.48Å; V165-L168 PolarHBondContact O-N 2.89Å; A166-L168 PolarHBondContact O-N 3.48Å; L168-G170 VanDerWaalsContact C-N 3.34Å
169L97.3Very high96.7Very high9 Ų98 Ų85%0.0475%0.05CC..THydrogen-bonded Turntrans-88.37.5176-64.5171.8000113.7Y46 M69 I99 A102 L103 V165 A166 L167Y46-L169 HydrophobicContact CD2-CD2 4.1Å; Y46-L169 HydrophobicContact CG-CD2 4.4Å; M69-L169 HydrophobicContact CE-CD2 3.57Å; I99-L169 HydrophobicContact CB-CD1 4.44Å; I99-L169 HydrophobicContact CG1-CD1 4.44Å; I99-L169 HydrophobicContact CG2-CD1 3.84Å; A102-L169 HydrophobicContact CB-CB 3.97Å; L103-L169 HydrophobicContact CD2-CD1 4.24Å; L103-L169 HydrophobicContact CD2-CD2 4.33Å; L103-L169 HydrophobicContact CG-CD1 4.23Å; V165-L169 HydrophobicContact CG1-CD1 4.01Å; V165-L169 WeakPolarHBondContact O-CG 3.38Å; V165-L169 PolarHBondContact O-N 3.24Å; V165-L169 VanDerWaalsContact O-N 3.14Å; A166-L169 CarbonylContact O-C 3.09Å; A166-L169 PolarHBondContact O-N 3.34Å; L167-L169 PolarHBondContact O-N 3.22Å
170G96.4Very high96.5Very high4 Ų411.3 Ų11.34%0.0417%0.071CC..THydrogen-bonded Turntrans83.114.9175.800000115.5A166 L167 L168A166-G170 PolarHBondContact O-N 3.04Å; L167-G170 PolarHBondContact O-N 3.21Å; L168-G170 VanDerWaalsContact C-N 3.34Å
171V97.6Very high96.3Very high1 Ų116.6 Ų16.61%0.00610%0.095CC..  trans-69.3128.7171.6179.50000109.7A98 A102 V108 V110 A166 V173A98-V171 HydrophobicContact CB-CG1 3.93Å; A98-V171 HydrophobicContact CB-CG2 4.23Å; A102-V171 HydrophobicContact CB-CG2 3.84Å; V108-V171 HydrophobicContact CB-CG1 4.23Å; V108-V171 HydrophobicContact CB-CG2 4.24Å; V108-V171 HydrophobicContact CG1-CG1 4.03Å; V108-V171 HydrophobicContact CG1-CG2 4.49Å; V110-V171 HydrophobicContact CG2-CG1 3.58Å; A166-V171 HydrophobicContact CB-CB 4.01Å; A166-V171 HydrophobicContact CB-CG1 4.37Å; A166-V171 HydrophobicContact CB-CG2 4.03Å; A166-V171 VanDerWaalsContact O-CB 3.25Å; A166-V171 WeakPolarHBondContact O-CB 3.42Å; A166-V171 VanDerWaalsContact O-CG2 3.29Å; A166-V171 WeakPolarHBondContact O-CG2 3.44Å; A166-V171 PolarHBondContact O-N 2.97Å; V171-V173 HydrophobicContact CG1-CG2 3.95Å
172E95.4Very high96.2Very high10 Ų1018 Ų185%0.04710%0.103CC..EExtended strand (participates in β ladder)trans-90.5121.5174.4-72.5177.2-7500110.3L39 K107 V108 M109 V110 F174 R516L39-E172 HydrophobicContact CB-CG 4.13Å; L39-E172 HydrophobicContact CD1-CG 4.2Å; L39-E172 HydrophobicContact CD2-CG 4.36Å; L39-E172 HydrophobicContact CG-CG 4.47Å; K107-E172 WeakPolarHBondContact CE-OE1 3.13Å; K107-E172 IonicContact NZ-OE1 2.93Å; K107-E172 PolarHBondContact NZ-OE1 2.87Å; V108-E172 PolarHBondContact O-N 2.84Å; M109-E172 CarbonylContact C-O 3.58Å; M109-E172 WeakPolarHBondContact CA-O 3.17Å; M109-E172 WeakPolarHBondContact CE-OE1 3.26Å; M109-E172 HydrophobicContact SD-CB 3.76Å; M109-E172 HydrophobicContact SD-CG 4.5Å; V110-E172 PolarHBondContact N-O 2.74Å; E172-F174 HydrophobicContact CB-CE2 3.68Å; E172-F174 HydrophobicContact CB-CZ 3.84Å; E172-R516 IonicContact OE1-CZ 3.65Å; E172-R516 IonicContact OE1-NH2 3.19Å; E172-R516 PolarHBondContact OE1-NH2 3.13Å; E172-R516 IonicContact OE2-CZ 3.18Å; E172-R516 IonicContact OE2-NE 3.03Å; E172-R516 PolarHBondContact OE2-NE 2.71Å; E172-R516 VanDerWaalsContact OE2-NE 3.08Å; E172-R516 IonicContact OE2-NH2 2.68Å; E172-R516 PolarHBondContact OE2-NH2 2.67Å
173V96.2Very high95.9Very high6 Ų621.2 Ų21.24%0.03612%0.118CC..EExtended strand (participates in β ladder)trans-118.2126.8-174.2-174.20000111.1F21 L25 V110 L163 L167 V171F21-V173 HydrophobicContact CE2-CG1 4.05Å; F21-V173 HydrophobicContact CZ-CG1 4.05Å; L25-V173 HydrophobicContact CD2-CB 4.31Å; V110-V173 HydrophobicContact CB-CB 4.43Å; V110-V173 HydrophobicContact CB-CG1 4.22Å; V110-V173 HydrophobicContact CB-CG2 4.12Å; V110-V173 HydrophobicContact CG1-CG1 4.29Å; V110-V173 HydrophobicContact CG2-CG2 4.33Å; L163-V173 HydrophobicContact CD1-CB 4.14Å; L163-V173 HydrophobicContact CD1-CG1 4.01Å; L163-V173 HydrophobicContact CD1-CG2 3.86Å; L167-V173 HydrophobicContact CD2-CB 4.48Å; L167-V173 HydrophobicContact CD2-CG2 4.16Å; V171-V173 HydrophobicContact CG1-CG2 3.95Å
174F94.1Very high95.7Very high16 Ų1626.1 Ų26.17%0.0714%0.14CC..EExtended strand (participates in β ladder)trans-116.8116.6-174.4-57.7-82.3000110.5M109 V110 V111 E112 E172 V177 Y206 L207M109-F174 HydrophobicContact SD-CE2 3.91Å; M109-F174 HydrophobicContact SD-CZ 4.47Å; V110-F174 PolarHBondContact O-N 3.11Å; V111-F174 HydrophobicContact CG1-CB 4.5Å; E112-F174 PolarHBondContact N-O 3.31Å; E172-F174 HydrophobicContact CB-CE2 3.68Å; E172-F174 HydrophobicContact CB-CZ 3.84Å; F174-V177 HydrophobicContact CB-CB 4.42Å; F174-V177 HydrophobicContact CB-CG2 4.04Å; F174-Y206 HydrophobicContact CE1-CE1 4.21Å; F174-Y206 WeakPolarHBondContact CE1-OH 3.35Å; F174-Y206 WeakPolarHBondContact CZ-OH 3.29Å; F174-L207 HydrophobicContact CB-CD1 4.27Å; F174-L207 HydrophobicContact CD1-CD1 4.16Å; F174-L207 HydrophobicContact CD2-CD1 3.48Å; F174-L207 VanDerWaalsContact CD2-CD1 3.48Å; F174-L207 HydrophobicContact CE1-CD1 4.45Å; F174-L207 HydrophobicContact CE2-CD1 3.78Å; F174-L207 HydrophobicContact CE2-CD2 4.13Å; F174-L207 HydrophobicContact CE2-CG 4.47Å; F174-L207 HydrophobicContact CG-CD1 3.67Å; F174-L207 HydrophobicContact CZ-CD1 4.26Å; F174-L207 HydrophobicContact CZ-CD2 4.28Å
175E93.5Very high95.5Very high9 Ų926 Ų264%0.04214%0.14CC..EExtended strand (participates in β ladder)trans-90.9155178.571.7-172.2139.600111.1F21 L25 E112 V177 R528F21-E175 HydrophobicContact CD1-CB 4.2Å; F21-E175 HydrophobicContact CE1-CB 3.55Å; F21-E175 HydrophobicContact CZ-CB 3.79Å; L25-E175 HydrophobicContact CD1-CB 4.43Å; L25-E175 HydrophobicContact CD1-CG 4.37Å; E112-E175 CarbonylContact O-C 3.59Å; E175-V177 PolarHBondContact O-N 3.49Å; E175-R528 IonicContact OE1-NH1 3.31Å; E175-R528 PolarHBondContact OE1-NH1 2.77Å
176A93.3Very high95.1Very high42 Ų4228.8 Ų28.835%0.34715%0.153SC..SBendtrans5720.5-174.100000115.8E112 R114E112-A176 WeakPolarHBondContact O-CA 3.34Å; E112-A176 PolarHBondContact O-N 3.36Å; R114-A176 PolarHBondContact O-N 2.82Å; R114-A176 VanDerWaalsContact O-N 3.15Å
177V93.8Very high94.5Very high4 Ų432.6 Ų32.62%0.02418%0.177CC..  trans-108.6116.4175.5-178.60000109.5V111 E112 K113 F174 E175 L200V111-V177 HydrophobicContact CB-CB 4.3Å; V111-V177 HydrophobicContact CB-CG1 4.11Å; V111-V177 HydrophobicContact CG1-CB 4.29Å; V111-V177 HydrophobicContact CG1-CG1 3.83Å; E112-V177 CarbonylContact C-O 3.49Å; E112-V177 PolarHBondContact N-O 3.03Å; E112-V177 PolarHBondContact O-N 2.97Å; K113-V177 PolarHBondContact N-O 3.47Å; F174-V177 HydrophobicContact CB-CB 4.42Å; F174-V177 HydrophobicContact CB-CG2 4.04Å; E175-V177 PolarHBondContact O-N 3.49Å; V177-L200 HydrophobicContact CG1-CB 4.28Å; V177-L200 HydrophobicContact CG1-CD1 4.04Å; V177-L200 HydrophobicContact CG1-CD2 4.27Å; V177-L200 HydrophobicContact CG1-CG 4.43Å
178S94.9Very high93.7Very high36 Ų3634.8 Ų34.825%0.25219%0.188SC..EExtended strand (participates in β ladder)trans-96.5129.6176.3-52.60000110.5K113 L200 S201K113-S178 WeakPolarHBondContact CB-OG 3.31Å; S178-L200 CarbonylContact O-C 3.59Å; S178-L200 VanDerWaalsContact O-CA 3.31Å; S178-L200 WeakPolarHBondContact O-CA 3.4Å; S178-S201 PolarHBondContact N-O 3.26Å; S178-S201 PolarHBondContact O-N 3.04Å
179F95.8Very high92.9Very high13 Ų1342.8 Ų42.86%0.05723%0.231CC..EExtended strand (participates in β ladder)trans-67132.7158.3-177.9-87.1000108.9L86 V88 V111 E181 L182 A198 L215 T224 L225L86-F179 HydrophobicContact CD2-CD2 4.32Å; V88-F179 HydrophobicContact CB-CB 4.39Å; V88-F179 HydrophobicContact CG1-CB 3.56Å; V88-F179 HydrophobicContact CG1-CG 4.21Å; V88-F179 HydrophobicContact CG2-CB 3.85Å; V88-F179 HydrophobicContact CG2-CD1 4.49Å; V88-F179 HydrophobicContact CG2-CD2 3.82Å; V88-F179 HydrophobicContact CG2-CG 3.81Å; V111-F179 HydrophobicContact CG2-CB 4.38Å; F179-E181 VanDerWaalsContact CZ-C 3.41Å; F179-L182 HydrophobicContact CZ-CB 4.18Å; F179-A198 HydrophobicContact CD2-CB 3.8Å; F179-A198 HydrophobicContact CE2-CB 3.67Å; F179-L215 HydrophobicContact CE2-CD1 4.28Å; F179-L215 HydrophobicContact CE2-CD2 3.93Å; F179-L215 HydrophobicContact CZ-CD2 3.98Å; F179-T224 WeakPolarHBondContact CD1-OG1 3.46Å; F179-L225 HydrophobicContact CE1-CD2 3.74Å; F179-L225 HydrophobicContact CZ-CD2 3.67Å
180V94.5Very high92.1Very high74 Ų7451 Ų5145%0.44827%0.266SS..EExtended strand (participates in β ladder)trans-107.2-58.5178.1-177.80000109.6V199V180-V199 HydrophobicContact CB-CB 4.44Å; V180-V199 HydrophobicContact CB-CG1 4.2Å; V180-V199 WeakPolarHBondContact CB-O 3.44Å; V180-V199 PolarHBondContact N-O 3.4Å
181E94.2Very high91.2Very high112 Ų11253.5 Ų53.552%0.52329%0.293SS..EExtended strand (participates in β ladder)trans-153.8161.8-178.857.7-178.4-172.700111.6F179 V199F179-E181 VanDerWaalsContact CZ-C 3.41Å; E181-V199 HydrophobicContact CG-CB 3.55Å; E181-V199 HydrophobicContact CG-CG1 4.19Å; E181-V199 HydrophobicContact CG-CG2 3.64Å; E181-V199 PolarHBondContact N-O 2.89Å; E181-V199 PolarHBondContact O-N 2.83Å
182L94.8Very high90.4Very high31 Ų3156.7 Ų56.716%0.16231%0.312CS..EExtended strand (participates in β ladder)trans-83.2130.8174.7177.763.4000109.3F179 W196 F212 L215 L380 L387F179-L182 HydrophobicContact CZ-CB 4.18Å; L182-W196 HydrophobicContact CD1-CE3 3.78Å; L182-W196 HydrophobicContact CD1-CZ3 4.35Å; L182-W196 HydrophobicContact CD2-CE3 3.85Å; L182-W196 HydrophobicContact CD2-CZ3 3.59Å; L182-W196 HydrophobicContact CG-CE3 3.79Å; L182-W196 HydrophobicContact CG-CZ3 3.86Å; L182-F212 HydrophobicContact CD1-CE2 3.9Å; L182-F212 HydrophobicContact CD1-CZ 3.92Å; L182-L215 HydrophobicContact CD1-CD2 3.83Å; L182-L380 HydrophobicContact CD2-CD1 3.92Å; L182-L387 HydrophobicContact CD1-CD2 3.69Å; L182-L387 HydrophobicContact CD2-CD2 3.65Å; L182-L387 HydrophobicContact CG-CD2 4.28Å
183Q93.9Very high89.7Confident68 Ų6857.1 Ų57.132%0.31832%0.319SS..EExtended strand (participates in β ladder)trans-100125.1176.1-177.3174.615.900109.9H186 T197 V199Q183-H186 PolarHBondContact NE2-CE1 2.84Å; Q183-H186 VanDerWaalsContact NE2-CE1 3.3Å; Q183-T197 WeakPolarHBondContact CB-OG1 3.15Å; Q183-T197 PolarHBondContact N-O 2.94Å; Q183-T197 PolarHBondContact O-N 3.49Å; Q183-T197 PolarHBondContact OE1-OG1 3.45Å; Q183-V199 HydrophobicContact CB-CG2 4.34Å
184E94.2Very high89.3Confident102 Ų10257.4 Ų57.448%0.47732%0.321SS..PPolyproline II helixtrans-69.9152.6178.1-67.7-159.3149.100112.3H186 W196 R382E184-H186 PolarHBondContact O-N 2.93Å; E184-H186 PolarHBondContact O-ND1 3.27Å; E184-W196 HydrophobicContact CB-CZ3 4.29Å; E184-W196 HydrophobicContact CG-CH2 4.14Å; E184-W196 HydrophobicContact CG-CZ3 3.81Å; E184-R382 IonicContact OE1-CZ 2.75Å; E184-R382 IonicContact OE1-NE 3.73Å; E184-R382 PolarHBondContact OE1-NE 2.97Å; E184-R382 IonicContact OE1-NH2 2.86Å; E184-R382 IonicContact OE2-NE 3.13Å
185P92.7Very high89.1Confident4 Ų456.7 Ų56.73%0.02632%0.318CS..PPolyproline II helixtrans-55.5132.2174.4-26.135.3000112.6V194 W196 R382 R383 Y385P185-V194 CarbonylContact C-O 3.29Å; P185-V194 WeakPolarHBondContact CA-O 3.44Å; P185-V194 WeakPolarHBondContact CB-O 3.33Å; P185-W196 HydrophobicContact CG-CD2 3.82Å; P185-W196 HydrophobicContact CG-CE3 4.47Å; P185-W196 HydrophobicContact CG-CG 3.91Å; P185-W196 HydrophobicContact CG-CZ2 4.34Å; P185-R382 HydrophobicContact CG-CB 3.92Å; P185-R383 PolarHBondContact O-NE 3.39Å; P185-Y385 HydrophobicContact CB-CD2 3.77Å; P185-Y385 HydrophobicContact CB-CE2 4.46Å; P185-Y385 HydrophobicContact CB-CG 4.17Å; P185-Y385 HydrophobicContact CG-CD2 4.26Å; P185-Y385 HydrophobicContact CG-CG 4.21Å
186H90.4Very high89.2Confident59 Ų5956.4 Ų56.427%0.27332%0.317SS..EExtended strand (participates in β ladder)trans-140.4168.5-176.959.5-78000111Q183 E184 V194Q183-H186 PolarHBondContact NE2-CE1 2.84Å; Q183-H186 VanDerWaalsContact NE2-CE1 3.3Å; E184-H186 PolarHBondContact O-N 2.93Å; E184-H186 PolarHBondContact O-ND1 3.27Å; H186-V194 PolarHBondContact N-O 2.94Å; H186-V194 PolarHBondContact O-N 2.91Å
187V86.6Confident89.3Confident81 Ų8154.5 Ų54.549%0.49130%0.301SS..EExtended strand (participates in β ladder)trans-99.2127.9171.1179.40000106.5G191 V192V187-G191 VanDerWaalsContact CG1-C 3.46Å; V187-V192 WeakPolarHBondContact CA-O 3.44Å
188N81.8Confident89.3Confident49 Ų4954.4 Ų54.426%0.26230%0.3SS..  trans-79.4174.6177.968.819.9000111.8F190 G191 V192 V194N188-F190 PolarHBondContact O-N 3.49Å; N188-F190 WeakPolarHBondContact OD1-CA 3.3Å; N188-F190 WeakPolarHBondContact OD1-CB 3.41Å; N188-F190 PolarHBondContact OD1-N 3.16Å; N188-G191 PolarHBondContact O-N 2.92Å; N188-G191 PolarHBondContact OD1-N 3.22Å; N188-V192 PolarHBondContact N-O 3.07Å; N188-V192 PolarHBondContact OD1-N 2.87Å; N188-V192 PolarHBondContact OD1-O 2.66Å; N188-V194 HydrophobicContact CB-CG2 4.13Å
189D80.6Confident89.3Confident168 Ų16854.8 Ų54.890%0.89830%0.301SS*.THydrogen-bonded Turntrans-58.6-16.8-178.4-56.5-37000114.1
190F78.4Confident89.3Confident181 Ų18154.5 Ų54.579%0.79430%0.3SS*.THydrogen-bonded Turntrans-93.95.6177.3-54-74.4000113.7N188 V192N188-F190 PolarHBondContact O-N 3.49Å; N188-F190 WeakPolarHBondContact OD1-CA 3.3Å; N188-F190 WeakPolarHBondContact OD1-CB 3.41Å; N188-F190 PolarHBondContact OD1-N 3.16Å; F190-V192 VanDerWaalsContact C-N 3.27Å; F190-V192 HydrophobicContact CB-CG2 4.37Å; F190-V192 PolarHBondContact O-N 3.14Å
191G79Confident89.2Confident58 Ų5853.9 Ų53.960%0.59830%0.299SS*.SBendtrans76.88.8-177.700000114.4V187 N188V187-G191 VanDerWaalsContact CG1-C 3.46Å; N188-G191 PolarHBondContact O-N 2.92Å; N188-G191 PolarHBondContact OD1-N 3.22Å
192V80.5Confident89.1Confident68 Ų6850.8 Ų50.841%0.41229%0.289SS..PPolyproline II helixtrans-91.3132.9-179.3-176.60000110.2V187 N188 F190 V194 T503V187-V192 WeakPolarHBondContact CA-O 3.44Å; N188-V192 PolarHBondContact N-O 3.07Å; N188-V192 PolarHBondContact OD1-N 2.87Å; N188-V192 PolarHBondContact OD1-O 2.66Å; F190-V192 VanDerWaalsContact C-N 3.27Å; F190-V192 HydrophobicContact CB-CG2 4.37Å; F190-V192 PolarHBondContact O-N 3.14Å; V192-V194 PolarHBondContact O-N 2.89Å; V192-T503 HydrophobicContact CG1-CG2 4.38Å
193G81.3Confident88.8Confident19 Ų1953.7 Ų53.720%0.19631%0.311CS..EExtended strand (participates in β ladder)trans-68.8122.1172.200000111.7Y385 T503G193-Y385 PolarHBondContact O-OH 3.31Å; G193-T503 WeakPolarHBondContact O-CB 3.24Å; G193-T503 PolarHBondContact O-OG1 3.32Å
194V86.7Confident88.3Confident11 Ų1152.3 Ų52.37%0.06731%0.306CS..EExtended strand (participates in β ladder)trans-103.1126.9170.9179.60000107P185 H186 N188 V192 T197 E211P185-V194 CarbonylContact C-O 3.29Å; P185-V194 WeakPolarHBondContact CA-O 3.44Å; P185-V194 WeakPolarHBondContact CB-O 3.33Å; H186-V194 PolarHBondContact N-O 2.94Å; H186-V194 PolarHBondContact O-N 2.91Å; N188-V194 HydrophobicContact CB-CG2 4.13Å; V192-V194 PolarHBondContact O-N 2.89Å; V194-T197 HydrophobicContact CG1-CG2 3.92Å; V194-E211 HydrophobicContact CG1-CG 4.16Å
195G90.6Very high88Confident1 Ų147.9 Ų47.91%0.0129%0.286CS..  trans-73-155.4176.500000113.6T197 E211 Y385G195-T197 PolarHBondContact O-N 3.47Å; G195-E211 WeakPolarHBondContact CA-OE2 3.47Å; G195-E211 VanDerWaalsContact N-CD 3.32Å; G195-E211 PolarHBondContact N-OE2 2.7Å; G195-Y385 VanDerWaalsContact CA-CD1 3.47Å
196W94.8Very high87.7Confident4 Ų448.5 Ų48.52%0.01529%0.287CS..  trans-71.8123.1-179.6-65.894.9000111.6L182 E184 P185 E211 F212 L380 R382 Y385 L387L182-W196 HydrophobicContact CD1-CE3 3.78Å; L182-W196 HydrophobicContact CD1-CZ3 4.35Å; L182-W196 HydrophobicContact CD2-CE3 3.85Å; L182-W196 HydrophobicContact CD2-CZ3 3.59Å; L182-W196 HydrophobicContact CG-CE3 3.79Å; L182-W196 HydrophobicContact CG-CZ3 3.86Å; E184-W196 HydrophobicContact CB-CZ3 4.29Å; E184-W196 HydrophobicContact CG-CH2 4.14Å; E184-W196 HydrophobicContact CG-CZ3 3.81Å; P185-W196 HydrophobicContact CG-CD2 3.82Å; P185-W196 HydrophobicContact CG-CE3 4.47Å; P185-W196 HydrophobicContact CG-CG 3.91Å; P185-W196 HydrophobicContact CG-CZ2 4.34Å; W196-E211 WeakPolarHBondContact O-CA 3.4Å; W196-F212 HydrophobicContact CB-CE2 4.26Å; W196-F212 PolarHBondContact O-N 3.42Å; W196-F212 VanDerWaalsContact O-N 3.08Å; W196-L380 HydrophobicContact CH2-CB 3.76Å; W196-L380 HydrophobicContact CH2-CD1 3.7Å; W196-L380 HydrophobicContact CH2-CG 4.41Å; W196-L380 HydrophobicContact CZ2-CB 3.65Å; W196-L380 HydrophobicContact CZ2-CD1 4.4Å; W196-L380 HydrophobicContact CZ3-CD1 4.1Å; W196-R382 HydrophobicContact CH2-CB 4.26Å; W196-R382 HydrophobicContact CH2-CG 3.5Å; W196-R382 VanDerWaalsContact CH2-CG 3.5Å; W196-R382 HydrophobicContact CZ2-CB 3.79Å; W196-R382 HydrophobicContact CZ2-CG 3.44Å; W196-R382 VanDerWaalsContact CZ2-CG 3.44Å; W196-Y385 PolarHBondContact NE1-O 3.45Å; W196-L387 HydrophobicContact CB-CD2 4.15Å; W196-L387 HydrophobicContact CD2-CB 3.86Å; W196-L387 HydrophobicContact CD2-CD2 3.53Å; W196-L387 HydrophobicContact CD2-CG 4.32Å; W196-L387 HydrophobicContact CE3-CD2 3.59Å; W196-L387 HydrophobicContact CG-CB 3.84Å; W196-L387 HydrophobicContact CG-CD2 3.82Å; W196-L387 HydrophobicContact CG-CG 4.31Å; W196-L387 HydrophobicContact CZ2-CB 4.26Å; W196-L387 HydrophobicContact CZ3-CD2 4.13Å
197T95.2Very high87.7Confident2 Ų246 Ų461%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-124.9177.8177.754.10000110.7Q183 V194 G195 R208 E211 F212Q183-T197 WeakPolarHBondContact CB-OG1 3.15Å; Q183-T197 PolarHBondContact N-O 2.94Å; Q183-T197 PolarHBondContact O-N 3.49Å; Q183-T197 PolarHBondContact OE1-OG1 3.45Å; V194-T197 HydrophobicContact CG1-CG2 3.92Å; G195-T197 PolarHBondContact O-N 3.47Å; T197-R208 WeakPolarHBondContact CB-O 3.39Å; T197-E211 HydrophobicContact CG2-CG 3.73Å; T197-F212 WeakPolarHBondContact O-CZ 3.03Å
198A94.8Very high87.8Confident2 Ų247.6 Ų47.62%0.01727%0.273CS..EExtended strand (participates in β ladder)trans-124.1136.7178.900000111.2L86 F179 L200 F212L86-A198 HydrophobicContact CD2-CB 3.88Å; F179-A198 HydrophobicContact CD2-CB 3.8Å; F179-A198 HydrophobicContact CE2-CB 3.67Å; A198-L200 HydrophobicContact CB-CD2 3.91Å; A198-L200 HydrophobicContact CB-CG 4.39Å; A198-F212 HydrophobicContact CB-CE1 3.88Å; A198-F212 HydrophobicContact CB-CZ 4.07Å
199V95.3Very high88.1Confident44 Ų4446.7 Ų46.727%0.26727%0.269SS..EExtended strand (participates in β ladder)trans-78124.9164-178.50000107.6V180 E181 Q183V180-V199 HydrophobicContact CB-CB 4.44Å; V180-V199 HydrophobicContact CB-CG1 4.2Å; V180-V199 WeakPolarHBondContact CB-O 3.44Å; V180-V199 PolarHBondContact N-O 3.4Å; E181-V199 HydrophobicContact CG-CB 3.55Å; E181-V199 HydrophobicContact CG-CG1 4.19Å; E181-V199 HydrophobicContact CG-CG2 3.64Å; E181-V199 PolarHBondContact N-O 2.89Å; E181-V199 PolarHBondContact O-N 2.83Å; Q183-V199 HydrophobicContact CB-CG2 4.34Å
200L94.8Very high88.6Confident6 Ų639 Ų393%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-116.7156.8-175.1-58178.1000110.8V177 S178 A198 P202 S203 L207V177-L200 HydrophobicContact CG1-CB 4.28Å; V177-L200 HydrophobicContact CG1-CD1 4.04Å; V177-L200 HydrophobicContact CG1-CD2 4.27Å; V177-L200 HydrophobicContact CG1-CG 4.43Å; S178-L200 CarbonylContact O-C 3.59Å; S178-L200 VanDerWaalsContact O-CA 3.31Å; S178-L200 WeakPolarHBondContact O-CA 3.4Å; A198-L200 HydrophobicContact CB-CD2 3.91Å; A198-L200 HydrophobicContact CB-CG 4.39Å; L200-P202 CarbonylContact O-C 3.59Å; L200-S203 VanDerWaalsContact O-CA 3.25Å; L200-S203 WeakPolarHBondContact O-CA 3.43Å; L200-S203 PolarHBondContact O-N 3.37Å; L200-L207 HydrophobicContact CD1-CB 3.54Å
201S93.2Very high89.4Confident62 Ų6231 Ų3143%0.43419%0.192SC..EExtended strand (participates in β ladder)trans-119.2122.1164.6-172.80000109S178S178-S201 PolarHBondContact N-O 3.26Å; S178-S201 PolarHBondContact O-N 3.04Å
202P92.1Very high90.1Very high47 Ų4728.6 Ų28.631%0.30517%0.165SC..SBendcis-72.8148.33.334.1-37.5000112.8L200 D204 H205L200-P202 CarbonylContact O-C 3.59Å; P202-D204 WeakPolarHBondContact CB-OD1 3.48Å; P202-D204 PolarHBondContact O-N 3.47Å; P202-H205 HydrophobicContact CG-CB 4.47Å; P202-H205 VanDerWaalsContact O-CB 3.29Å; P202-H205 WeakPolarHBondContact O-CB 3.45Å; P202-H205 PolarHBondContact O-N 2.64Å
203S88.6Confident90.8Very high91 Ų9126.4 Ų26.464%0.63615%0.153SC*.THydrogen-bonded Turntrans-74.6-10.1-170.553.90000115.1L200 R208L200-S203 VanDerWaalsContact O-CA 3.25Å; L200-S203 WeakPolarHBondContact O-CA 3.43Å; L200-S203 PolarHBondContact O-N 3.37Å; S203-R208 WeakPolarHBondContact O-CD 3.44Å
204D82.7Confident91.6Very high39 Ų3925.5 Ų25.521%0.20914%0.143CC..THydrogen-bonded Turntrans-92.72.2176.474.2-34.9000112.6P202 N531 N590P202-D204 WeakPolarHBondContact CB-OD1 3.48Å; P202-D204 PolarHBondContact O-N 3.47Å; D204-N531 PolarHBondContact OD1-ND2 3.47Å; D204-N531 PolarHBondContact OD2-ND2 2.84Å; D204-N590 PolarHBondContact O-ND2 2.75Å
205H87.7Confident92.1Very high10 Ų1025 Ų255%0.04614%0.14CC..  trans-70.1129.7178.5-165.7-89.8000111.8P202 L207 R208P202-H205 HydrophobicContact CG-CB 4.47Å; P202-H205 VanDerWaalsContact O-CB 3.29Å; P202-H205 WeakPolarHBondContact O-CB 3.45Å; P202-H205 PolarHBondContact O-N 2.64Å; H205-L207 VanDerWaalsContact CE1-CD1 3.44Å; H205-L207 WeakPolarHBondContact CE1-CD1 3.09Å; H205-L207 WeakPolarHBondContact ND1-CB 3.32Å; H205-L207 PolarHBondContact ND1-N 2.69Å; H205-L207 PolarHBondContact O-N 2.86Å; H205-L207 VanDerWaalsContact O-N 3.09Å; H205-R208 WeakPolarHBondContact O-CB 3.28Å; H205-R208 PolarHBondContact O-N 3.16Å
206Y86.3Confident92.5Very high16 Ų1624.9 Ų24.96%0.06314%0.14CC..G310 helixtrans-60.7-25.5-170.879.2-77.8000115F174 R208 N209 F508 H511 Q512 V515F174-Y206 HydrophobicContact CE1-CE1 4.21Å; F174-Y206 WeakPolarHBondContact CE1-OH 3.35Å; F174-Y206 WeakPolarHBondContact CZ-OH 3.29Å; Y206-R208 PolarHBondContact O-N 2.79Å; Y206-R208 VanDerWaalsContact O-N 3.11Å; Y206-N209 PolarHBondContact O-N 3.44Å; Y206-F508 HydrophobicContact CD2-CD2 4.36Å; Y206-F508 AromaticContact CD2-CE2 3.84Å; Y206-F508 HydrophobicContact CD2-CE2 3.84Å; Y206-F508 AromaticContact CE2-CE2 3.82Å; Y206-F508 HydrophobicContact CE2-CE2 3.82Å; Y206-F508 HydrophobicContact CE2-CZ 4.25Å; Y206-H511 HydrophobicContact CD2-CB 4.34Å; Y206-Q512 HydrophobicContact CE2-CB 4.02Å; Y206-Q512 HydrophobicContact CE2-CG 4.18Å; Y206-V515 HydrophobicContact CD1-CG2 4.02Å; Y206-V515 HydrophobicContact CE1-CB 4.42Å; Y206-V515 HydrophobicContact CE1-CG1 3.98Å; Y206-V515 HydrophobicContact CE1-CG2 4.18Å; Y206-V515 HydrophobicContact CG-CG2 4.22Å
207L90.5Very high92.6Very high6 Ų624.7 Ų24.73%0.03114%0.139CC..G310 helixtrans-61.8-10.9172.4-69.5174.1000114.2M109 V111 F174 L200 H205 N209 Y210 F508M109-L207 HydrophobicContact CG-CD2 4.47Å; M109-L207 HydrophobicContact SD-CD2 4.38Å; V111-L207 HydrophobicContact CG1-CD1 3.92Å; F174-L207 HydrophobicContact CB-CD1 4.27Å; F174-L207 HydrophobicContact CD1-CD1 4.16Å; F174-L207 HydrophobicContact CD2-CD1 3.48Å; F174-L207 VanDerWaalsContact CD2-CD1 3.48Å; F174-L207 HydrophobicContact CE1-CD1 4.45Å; F174-L207 HydrophobicContact CE2-CD1 3.78Å; F174-L207 HydrophobicContact CE2-CD2 4.13Å; F174-L207 HydrophobicContact CE2-CG 4.47Å; F174-L207 HydrophobicContact CG-CD1 3.67Å; F174-L207 HydrophobicContact CZ-CD1 4.26Å; F174-L207 HydrophobicContact CZ-CD2 4.28Å; L200-L207 HydrophobicContact CD1-CB 3.54Å; H205-L207 VanDerWaalsContact CE1-CD1 3.44Å; H205-L207 WeakPolarHBondContact CE1-CD1 3.09Å; H205-L207 WeakPolarHBondContact ND1-CB 3.32Å; H205-L207 PolarHBondContact ND1-N 2.69Å; H205-L207 PolarHBondContact O-N 2.86Å; H205-L207 VanDerWaalsContact O-N 3.09Å; L207-N209 PolarHBondContact O-N 3.48Å; L207-N209 VanDerWaalsContact O-N 3.15Å; L207-Y210 HydrophobicContact CD2-CG 4.48Å; L207-Y210 WeakPolarHBondContact O-CB 3.39Å; L207-Y210 PolarHBondContact O-N 3.25Å; L207-F508 HydrophobicContact CD2-CE2 3.95Å; L207-F508 HydrophobicContact CD2-CZ 4.11Å
208R88.8Confident92.7Very high115 Ų11525.1 Ų25.143%0.43414%0.143SC..G310 helixtrans-57.6-26.8173.381.9-175.5-160.9-167.83.2112.3T197 S203 H205 Y206T197-R208 WeakPolarHBondContact CB-O 3.39Å; S203-R208 WeakPolarHBondContact O-CD 3.44Å; H205-R208 WeakPolarHBondContact O-CB 3.28Å; H205-R208 PolarHBondContact O-N 3.16Å; Y206-R208 PolarHBondContact O-N 2.79Å; Y206-R208 VanDerWaalsContact O-N 3.11Å
209N88.4Confident92.5Very high31 Ų3126.1 Ų26.117%0.16615%0.148CC..G310 helixtrans-92.24.8176.2-62.55.6000112.5Y206 L207 E211 S507 F508Y206-N209 PolarHBondContact O-N 3.44Å; L207-N209 PolarHBondContact O-N 3.48Å; L207-N209 VanDerWaalsContact O-N 3.15Å; N209-E211 PolarHBondContact O-N 2.98Å; N209-S507 PolarHBondContact ND2-OG 3.25Å; N209-S507 VanDerWaalsContact ND2-OG 3.16Å; N209-F508 HydrophobicContact CB-CB 3.99Å; N209-F508 HydrophobicContact CB-CD2 4.27Å; N209-F508 WeakPolarHBondContact O-CB 3.23Å
210Y91.9Very high92.2Very high7 Ų724.5 Ų24.53%0.02714%0.14CC..  trans-77.3110.2178.8179-117.2000110.3K84 L86 K107 M109 L207 F212 F508K84-Y210 WeakPolarHBondContact CB-OH 3.44Å; K84-Y210 HydrophobicContact CD-CE2 4.34Å; L86-Y210 HydrophobicContact CB-CE1 4.44Å; K107-Y210 PolarHBondContact O-OH 2.87Å; M109-Y210 HydrophobicContact CB-CD1 4.39Å; M109-Y210 HydrophobicContact CB-CE1 3.95Å; M109-Y210 HydrophobicContact CE-CD2 4.03Å; M109-Y210 HydrophobicContact CE-CE2 3.56Å; M109-Y210 HydrophobicContact CG-CD1 3.79Å; M109-Y210 HydrophobicContact CG-CD2 4.37Å; M109-Y210 HydrophobicContact CG-CE1 3.31Å; M109-Y210 HydrophobicContact CG-CE2 3.96Å; M109-Y210 HydrophobicContact CG-CG 4.3Å; L207-Y210 HydrophobicContact CD2-CG 4.48Å; L207-Y210 WeakPolarHBondContact O-CB 3.39Å; L207-Y210 PolarHBondContact O-N 3.25Å; Y210-F212 HydrophobicContact CD1-CB 4.4Å; Y210-F212 AromaticContact CD1-CD1 3.92Å; Y210-F212 HydrophobicContact CD1-CD1 3.92Å; Y210-F212 HydrophobicContact CE1-CB 3.96Å; Y210-F212 HydrophobicContact CE1-CD1 4.26Å; Y210-F212 VanDerWaalsContact O-CD1 3.32Å; Y210-F212 WeakPolarHBondContact O-CD1 3.17Å; Y210-F508 HydrophobicContact CD2-CD1 4.24Å; Y210-F508 AromaticContact CD2-CE1 3.59Å; Y210-F508 HydrophobicContact CD2-CE1 3.59Å; Y210-F508 HydrophobicContact CD2-CE2 4.17Å; Y210-F508 AromaticContact CD2-CZ 3.54Å; Y210-F508 HydrophobicContact CD2-CZ 3.54Å; Y210-F508 HydrophobicContact CE2-CE1 4.31Å; Y210-F508 HydrophobicContact CE2-CZ 4.45Å; Y210-F508 HydrophobicContact CG-CE2 4.35Å; Y210-F508 HydrophobicContact CG-CZ 4.1Å
211E93.6Very high91.6Very high11 Ų1129.2 Ų29.25%0.05116%0.16CC..  trans-82.3131.1174.6-70.5174.1-128.500111.3K84 V194 G195 W196 T197 N209 N505K84-E211 WeakPolarHBondContact CD-O 3.22Å; V194-E211 HydrophobicContact CG1-CG 4.16Å; G195-E211 WeakPolarHBondContact CA-OE2 3.47Å; G195-E211 VanDerWaalsContact N-CD 3.32Å; G195-E211 PolarHBondContact N-OE2 2.7Å; W196-E211 WeakPolarHBondContact O-CA 3.4Å; T197-E211 HydrophobicContact CG2-CG 3.73Å; N209-E211 PolarHBondContact O-N 2.98Å; E211-N505 WeakPolarHBondContact OE1-CB 3.28Å; E211-N505 PolarHBondContact OE1-ND2 2.67Å
212F95Very high90.8Very high8 Ų836.2 Ų36.24%0.03518%0.177CC..  trans-132.6148.3-178.950.6-96.3000112.1K84 L86 L182 W196 T197 A198 Y210 L215 L387K84-F212 HydrophobicContact CB-CB 4.37Å; K84-F212 WeakPolarHBondContact O-CB 3.5Å; L86-F212 HydrophobicContact CB-CB 4.3Å; L86-F212 HydrophobicContact CB-CD1 3.82Å; L86-F212 HydrophobicContact CB-CD2 4.36Å; L86-F212 HydrophobicContact CB-CE1 4.25Å; L86-F212 HydrophobicContact CB-CG 3.89Å; L86-F212 HydrophobicContact CD2-CD1 3.86Å; L86-F212 HydrophobicContact CD2-CE1 3.47Å; L86-F212 VanDerWaalsContact CD2-CE1 3.47Å; L86-F212 HydrophobicContact CD2-CZ 3.93Å; L86-F212 HydrophobicContact CG-CD1 4.48Å; L86-F212 HydrophobicContact CG-CE1 4.5Å; L182-F212 HydrophobicContact CD1-CE2 3.9Å; L182-F212 HydrophobicContact CD1-CZ 3.92Å; W196-F212 HydrophobicContact CB-CE2 4.26Å; W196-F212 PolarHBondContact O-N 3.42Å; W196-F212 VanDerWaalsContact O-N 3.08Å; T197-F212 WeakPolarHBondContact O-CZ 3.03Å; A198-F212 HydrophobicContact CB-CE1 3.88Å; A198-F212 HydrophobicContact CB-CZ 4.07Å; Y210-F212 HydrophobicContact CD1-CB 4.4Å; Y210-F212 AromaticContact CD1-CD1 3.92Å; Y210-F212 HydrophobicContact CD1-CD1 3.92Å; Y210-F212 HydrophobicContact CE1-CB 3.96Å; Y210-F212 HydrophobicContact CE1-CD1 4.26Å; Y210-F212 VanDerWaalsContact O-CD1 3.32Å; Y210-F212 WeakPolarHBondContact O-CD1 3.17Å; F212-L215 HydrophobicContact CD2-CB 4.04Å; F212-L215 HydrophobicContact CE2-CB 3.83Å; F212-L215 HydrophobicContact CE2-CD2 3.85Å; F212-L215 HydrophobicContact CE2-CG 4.29Å; F212-L215 HydrophobicContact CZ-CD2 4.2Å; F212-L387 HydrophobicContact CD2-CD1 3.79Å; F212-L387 HydrophobicContact CE2-CD1 3.99Å; F212-L387 HydrophobicContact CE2-CD2 4.38Å
213S94.9Very high90.2Very high22 Ų2235.4 Ų35.415%0.15417%0.17CC..SBendtrans-105.7-5177.561.90000113K84 L388K84-S213 PolarHBondContact N-OG 2.79Å; K84-S213 PolarHBondContact O-N 2.84Å; S213-L388 PolarHBondContact O-N 3.23Å
214V97.6Very high89.8Confident0 Ų033.6 Ų33.60%016%0.155CC..EExtended strand (participates in β ladder)trans-139.6132176.1-1740000109.2L83 K84 V85 L86 I216 L388 I421 Y424L83-V214 HydrophobicContact CB-CG2 4.42Å; L83-V214 HydrophobicContact CD1-CG2 4.21Å; K84-V214 PolarHBondContact O-N 2.73Å; K84-V214 VanDerWaalsContact O-N 3.16Å; V85-V214 WeakPolarHBondContact CA-O 3.44Å; V85-V214 HydrophobicContact CB-CB 4.4Å; V85-V214 HydrophobicContact CG1-CB 4.25Å; V85-V214 HydrophobicContact CG1-CG1 4.19Å; V85-V214 HydrophobicContact CG2-CB 4Å; V85-V214 HydrophobicContact CG2-CG1 4.44Å; V85-V214 HydrophobicContact CG2-CG2 4.32Å; L86-V214 PolarHBondContact N-O 2.85Å; V214-I216 HydrophobicContact CG1-CD1 3.76Å; V214-I216 HydrophobicContact CG1-CG1 4.07Å; V214-L388 WeakPolarHBondContact CA-O 3.46Å; V214-L388 HydrophobicContact CG2-CB 4.37Å; V214-I421 HydrophobicContact CG1-CD1 4.1Å; V214-I421 HydrophobicContact CG1-CG1 4.12Å; V214-Y424 HydrophobicContact CG2-CD1 4.27Å; V214-Y424 HydrophobicContact CG2-CE1 4.03Å
215L97.8Very high90.1Very high0 Ų032 Ų320%015%0.147CC..EExtended strand (participates in β ladder)trans-130.3115.9176.9172.758.1000110.6L86 V88 F179 L182 F212 L225 L387 L388 L389 G390L86-L215 HydrophobicContact CB-CD1 3.99Å; L86-L215 HydrophobicContact CD2-CD1 3.97Å; L86-L215 HydrophobicContact CG-CD1 3.9Å; L86-L215 WeakPolarHBondContact O-CA 3.34Å; V88-L215 HydrophobicContact CG2-CD1 3.77Å; F179-L215 HydrophobicContact CE2-CD1 4.28Å; F179-L215 HydrophobicContact CE2-CD2 3.93Å; F179-L215 HydrophobicContact CZ-CD2 3.98Å; L182-L215 HydrophobicContact CD1-CD2 3.83Å; F212-L215 HydrophobicContact CD2-CB 4.04Å; F212-L215 HydrophobicContact CE2-CB 3.83Å; F212-L215 HydrophobicContact CE2-CD2 3.85Å; F212-L215 HydrophobicContact CE2-CG 4.29Å; F212-L215 HydrophobicContact CZ-CD2 4.2Å; L215-L225 HydrophobicContact CD2-CD2 3.57Å; L215-L225 HydrophobicContact CG-CD1 4.23Å; L215-L225 HydrophobicContact CG-CD2 4Å; L215-L387 HydrophobicContact CB-CD1 3.99Å; L215-L388 PolarHBondContact N-O 2.83Å; L215-L389 HydrophobicContact CB-CD2 3.8Å; L215-L389 HydrophobicContact CD2-CD2 4.07Å; L215-L389 HydrophobicContact CG-CD2 4.17Å; L215-L389 WeakPolarHBondContact O-CA 3.46Å; L215-G390 PolarHBondContact O-N 2.72Å; L215-G390 VanDerWaalsContact O-N 3.1Å
216I98.1Very high90Very high0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans-112.5121.8-178.6-48.9-57.3000111V85 L86 V87 V88 M97 V214 G390 V392 I421V85-I216 HydrophobicContact CG1-CG1 4.48Å; L86-I216 PolarHBondContact O-N 3.35Å; V87-I216 CarbonylContact C-O 3.5Å; V87-I216 VanDerWaalsContact CA-O 3.32Å; V87-I216 WeakPolarHBondContact CA-O 3.4Å; V87-I216 HydrophobicContact CB-CB 4.35Å; V88-I216 PolarHBondContact N-O 2.96Å; M97-I216 HydrophobicContact CG-CB 4.36Å; M97-I216 HydrophobicContact CG-CG1 4.4Å; M97-I216 HydrophobicContact CG-CG2 3.9Å; M97-I216 HydrophobicContact SD-CG2 4.2Å; V214-I216 HydrophobicContact CG1-CD1 3.76Å; V214-I216 HydrophobicContact CG1-CG1 4.07Å; I216-G390 CarbonylContact C-O 3.56Å; I216-G390 WeakPolarHBondContact CA-O 3.22Å; I216-V392 HydrophobicContact CG2-CG1 4.18Å; I216-V392 HydrophobicContact CG2-CG2 3.88Å; I216-I421 HydrophobicContact CD1-CD1 4.02Å; I216-I421 HydrophobicContact CG1-CD1 4.18Å
217S97.1Very high90Very high0 Ų036.6 Ų36.60%019%0.186CC..EExtended strand (participates in β ladder)trans-94.7117.7175.7165.30000112.5D219 N223 L225 G390 I391 V392 S395S217-D219 VanDerWaalsContact OG-CG 3.3Å; S217-D219 PolarHBondContact OG-OD1 3.17Å; S217-D219 PolarHBondContact OG-OD2 3.14Å; S217-N223 WeakPolarHBondContact CB-OD1 3.27Å; S217-N223 PolarHBondContact OG-OD1 3.37Å; S217-L225 VanDerWaalsContact CB-CD1 3.42Å; S217-G390 PolarHBondContact N-O 2.63Å; S217-I391 WeakPolarHBondContact O-CA 3.33Å; S217-V392 PolarHBondContact O-N 2.93Å; S217-S395 PolarHBondContact O-OG 3.46Å; S217-S395 VanDerWaalsContact O-OG 3.08Å
218A96.9Very high90.1Very high11 Ų1137 Ų379%0.09119%0.188CC..  trans-125.327.717500000111.1V88 G94 G220 V392V88-A218 CarbonylContact O-C 3.57Å; V88-A218 VanDerWaalsContact O-CA 3.3Å; V88-A218 WeakPolarHBondContact O-CA 3.5Å; V88-A218 PolarHBondContact O-N 2.66Å; G94-A218 VanDerWaalsContact CA-CB 3.41Å; A218-G220 VanDerWaalsContact C-N 3.29Å; A218-G220 PolarHBondContact O-N 3.21Å; A218-V392 HydrophobicContact CB-CG2 3.75Å
219D90.9Very high90Very high22 Ų2239.4 Ų39.412%0.11820%0.197CC..  trans-75.9-12.1-175.261.112.7000114.5V88 S217 R222 N223 T224V88-D219 HydrophobicContact CG1-CB 4.19Å; V88-D219 PolarHBondContact O-N 2.74Å; S217-D219 VanDerWaalsContact OG-CG 3.3Å; S217-D219 PolarHBondContact OG-OD1 3.17Å; S217-D219 PolarHBondContact OG-OD2 3.14Å; D219-R222 VanDerWaalsContact CG-O 3.27Å; D219-N223 VanDerWaalsContact OD1-CA 3.28Å; D219-N223 WeakPolarHBondContact OD1-CA 3.48Å; D219-T224 WeakPolarHBondContact OD2-CB 3.41Å; D219-T224 WeakPolarHBondContact OD2-CG2 3.43Å; D219-T224 PolarHBondContact OD2-N 2.84Å; D219-T224 PolarHBondContact OD2-OG1 2.67Å
220G88.7Confident90Very high10 Ų1041.7 Ų41.710%0.10320%0.203CC..  trans98-137.216900000114.4A218 R222 R230 S395A218-G220 VanDerWaalsContact C-N 3.29Å; A218-G220 PolarHBondContact O-N 3.21Å; G220-R222 PolarHBondContact O-N 2.96Å; G220-R230 PolarHBondContact O-NH2 3.12Å; G220-R230 VanDerWaalsContact O-NH2 3.13Å; G220-S395 VanDerWaalsContact O-CA 3.29Å; G220-S395 WeakPolarHBondContact O-CA 3.36Å; G220-S395 WeakPolarHBondContact O-CB 3.38Å; G220-S395 PolarHBondContact O-N 2.72Å
221K83.9Confident89.7Confident105 Ų10544.2 Ų44.246%0.45722%0.219SC..SBendtrans-60-14.7-177.2179.1145.9-166154.30114.7R230 E398K221-R230 VanDerWaalsContact O-CZ 3.3Å; K221-R230 PolarHBondContact O-NH1 2.92Å; K221-R230 PolarHBondContact O-NH2 2.95Å; K221-E398 VanDerWaalsContact CD-OE1 3.28Å; K221-E398 WeakPolarHBondContact CD-OE1 3.47Å; K221-E398 WeakPolarHBondContact CD-OE2 3.46Å; K221-E398 VanDerWaalsContact CE-OE1 3.28Å; K221-E398 WeakPolarHBondContact CE-OE1 3.43Å; K221-E398 VanDerWaalsContact CE-OE2 3.25Å; K221-E398 WeakPolarHBondContact CE-OE2 3.29Å; K221-E398 WeakPolarHBondContact CG-OE1 3.31Å; K221-E398 IonicContact NZ-OE1 3.45Å; K221-E398 IonicContact NZ-OE2 3.88Å; K221-E398 PolarHBondContact NZ-OE2 2.85Å
222R76.4Confident89.2Confident209 Ų20948.1 Ų48.179%0.78924%0.237SC*.SBendtrans-119.979.1176.3-63.6-172.5-173.5-173.11.2109.9D219 G220 T224D219-R222 VanDerWaalsContact CG-O 3.27Å; G220-R222 PolarHBondContact O-N 2.96Å; R222-T224 PolarHBondContact O-N 2.96Å
223N79.3Confident88.4Confident31 Ų3151.1 Ų51.117%0.16625%0.25CS..  trans-61119.9174.9-178.834.1000110.4S217 D219 L225S217-N223 WeakPolarHBondContact CB-OD1 3.27Å; S217-N223 PolarHBondContact OG-OD1 3.37Å; D219-N223 VanDerWaalsContact OD1-CA 3.28Å; D219-N223 WeakPolarHBondContact OD1-CA 3.48Å; N223-L225 PolarHBondContact ND2-O 3.34Å; N223-L225 VanDerWaalsContact ND2-O 3.1Å; N223-L225 PolarHBondContact OD1-N 2.83Å; N223-L225 VanDerWaalsContact OD1-N 3.13Å
224T79.6Confident87.4Confident52 Ų5256.5 Ų56.532%0.31927%0.267SS..  trans-84.3-16.8177.849.40000113.4F179 D219 R222F179-T224 WeakPolarHBondContact CD1-OG1 3.46Å; D219-T224 WeakPolarHBondContact OD2-CB 3.41Å; D219-T224 WeakPolarHBondContact OD2-CG2 3.43Å; D219-T224 PolarHBondContact OD2-N 2.84Å; D219-T224 PolarHBondContact OD2-OG1 2.67Å; R222-T224 PolarHBondContact O-N 2.96Å
225L88.3Confident86.2Confident6 Ų657.6 Ų57.63%0.03128%0.278CS..SBendtrans-78.5127.7178.8-61.1-176.4000112F179 L215 S217 N223 F228F179-L225 HydrophobicContact CE1-CD2 3.74Å; F179-L225 HydrophobicContact CZ-CD2 3.67Å; L215-L225 HydrophobicContact CD2-CD2 3.57Å; L215-L225 HydrophobicContact CG-CD1 4.23Å; L215-L225 HydrophobicContact CG-CD2 4Å; S217-L225 VanDerWaalsContact CB-CD1 3.42Å; N223-L225 PolarHBondContact ND2-O 3.34Å; N223-L225 VanDerWaalsContact ND2-O 3.1Å; N223-L225 PolarHBondContact OD1-N 2.83Å; N223-L225 VanDerWaalsContact OD1-N 3.13Å; L225-F228 HydrophobicContact CB-CD2 3.91Å; L225-F228 HydrophobicContact CB-CE2 4.04Å; L225-F228 HydrophobicContact CD1-CE2 4.12Å
226P85.7Confident85.4Confident87 Ų8764.5 Ų64.557%0.56531%0.308SS*.THydrogen-bonded Turntrans-66.4163.1173.230.2-35.4000111.3F228P226-F228 VanDerWaalsContact C-N 3.31Å; P226-F228 WeakPolarHBondContact O-CD2 3.41Å; P226-F228 PolarHBondContact O-N 3.22Å
227G86.5Confident84.7Confident36 Ų3667.6 Ų67.637%0.37133%0.325SS..THydrogen-bonded Turntrans82.2-3.9171.300000116.5R378G227-R378 VanDerWaalsContact CA-NH1 3.32Å; G227-R378 WeakPolarHBondContact O-CD 3.49Å; G227-R378 PolarHBondContact O-NH1 3.39Å
228F92.2Very high84.2Confident15 Ų1567.8 Ų67.87%0.06633%0.326CS..  trans-102.192.5171.7-66.1-84.1000110.2L225 P226 N375 R378 L389 I391L225-F228 HydrophobicContact CB-CD2 3.91Å; L225-F228 HydrophobicContact CB-CE2 4.04Å; L225-F228 HydrophobicContact CD1-CE2 4.12Å; P226-F228 VanDerWaalsContact C-N 3.31Å; P226-F228 WeakPolarHBondContact O-CD2 3.41Å; P226-F228 PolarHBondContact O-N 3.22Å; F228-N375 WeakPolarHBondContact CD1-ND2 3.28Å; F228-N375 WeakPolarHBondContact CE1-ND2 3.45Å; F228-R378 HydrophobicContact CE1-CG 4.14Å; F228-R378 HydrophobicContact CZ-CB 4.23Å; F228-R378 HydrophobicContact CZ-CG 4.11Å; F228-L389 HydrophobicContact CE2-CB 4.06Å; F228-L389 HydrophobicContact CE2-CD1 4.26Å; F228-L389 HydrophobicContact CZ-CB 3.82Å; F228-I391 HydrophobicContact CB-CD1 4.29Å; F228-I391 HydrophobicContact CD1-CD1 3.59Å; F228-I391 HydrophobicContact CD1-CG1 3.79Å; F228-I391 HydrophobicContact CD1-CG2 4.24Å; F228-I391 HydrophobicContact CD2-CG2 4.17Å; F228-I391 HydrophobicContact CE1-CD1 4.18Å; F228-I391 HydrophobicContact CE1-CG1 3.85Å; F228-I391 HydrophobicContact CE1-CG2 4.32Å; F228-I391 HydrophobicContact CE2-CG2 4.25Å; F228-I391 HydrophobicContact CG-CD1 4.1Å; F228-I391 HydrophobicContact CG-CG1 4.45Å; F228-I391 HydrophobicContact CG-CG2 4.16Å; F228-I391 HydrophobicContact CZ-CG2 4.32Å
229R88.5Confident83.9Confident165 Ų16567.3 Ų67.362%0.62332%0.322SS*.  trans-69.6150178.1-64-167.6-60.8-148.3-0.1110.5A373 E374R229-A373 CarbonylContact O-C 3.58Å; R229-A373 WeakPolarHBondContact O-CA 3.33Å; R229-E374 HydrophobicContact CB-CB 4.35Å; R229-E374 WeakPolarHBondContact CB-OE2 3.2Å; R229-E374 IonicContact CZ-OE1 3.51Å; R229-E374 IonicContact CZ-OE2 2.79Å; R229-E374 IonicContact NE-OE2 3.65Å; R229-E374 PolarHBondContact NE-OE2 3.19Å; R229-E374 IonicContact NH2-OE1 3.7Å; R229-E374 PolarHBondContact NH2-OE1 3.03Å; R229-E374 IonicContact NH2-OE2 2.74Å; R229-E374 PolarHBondContact NH2-OE2 3.27Å; R229-E374 PolarHBondContact O-N 3.04Å
230R87.5Confident84Confident79 Ų7966.2 Ų66.230%0.29832%0.316SS..EExtended strand (participates in β ladder)trans-109.1130.4178.3-68.8-179.7169.6-130.1-5.4110.7G220 K221 F371 S372 E398G220-R230 PolarHBondContact O-NH2 3.12Å; G220-R230 VanDerWaalsContact O-NH2 3.13Å; K221-R230 VanDerWaalsContact O-CZ 3.3Å; K221-R230 PolarHBondContact O-NH1 2.92Å; K221-R230 PolarHBondContact O-NH2 2.95Å; R230-F371 HydrophobicContact CB-CD1 4.14Å; R230-S372 CarbonylContact C-O 3.59Å; R230-S372 WeakPolarHBondContact CA-O 3.16Å; R230-E398 IonicContact NH1-OE1 2.87Å; R230-E398 PolarHBondContact NH1-OE1 2.86Å
231V85.5Confident84.4Confident59 Ų5965.8 Ų65.836%0.35831%0.311SS..EExtended strand (participates in β ladder)trans-93119.1170.9-174.80000108.2F233 F371 S372 E374V231-F233 HydrophobicContact CB-CE2 3.99Å; V231-F233 HydrophobicContact CB-CZ 4.38Å; V231-F233 HydrophobicContact CG1-CD2 4.36Å; V231-F233 HydrophobicContact CG1-CE1 4.39Å; V231-F233 HydrophobicContact CG1-CE2 3.65Å; V231-F233 HydrophobicContact CG1-CZ 3.67Å; V231-F371 WeakPolarHBondContact O-CA 3.34Å; V231-S372 PolarHBondContact N-O 2.86Å; V231-S372 PolarHBondContact O-N 3.26Å; V231-E374 HydrophobicContact CG2-CB 4.24Å
232E83.8Confident84.9Confident93 Ų9360.8 Ų60.844%0.43529%0.29SS..EExtended strand (participates in β ladder)trans-85.2128.3174.9-172.5-177.3168.800110.8R234 S369 F371E232-R234 HydrophobicContact CG-CB 4.49Å; E232-R234 IonicContact OE1-NH1 2.87Å; E232-S369 VanDerWaalsContact OE1-CB 3.25Å; E232-S369 WeakPolarHBondContact OE1-CB 3.44Å; E232-S369 PolarHBondContact OE1-OG 2.96Å; E232-F371 HydrophobicContact CB-CD1 3.95Å; E232-F371 HydrophobicContact CB-CE1 3.61Å; E232-F371 HydrophobicContact CB-CZ 4.29Å; E232-F371 HydrophobicContact CG-CD1 4.26Å; E232-F371 HydrophobicContact CG-CE1 3.66Å; E232-F371 HydrophobicContact CG-CZ 3.8Å
233F77.6Confident86Confident71 Ų7150.9 Ų50.931%0.31125%0.252SS..EExtended strand (participates in β ladder)trans-109.296.1169.9-63.7-87.6000108.2V231 L370V231-F233 HydrophobicContact CB-CE2 3.99Å; V231-F233 HydrophobicContact CB-CZ 4.38Å; V231-F233 HydrophobicContact CG1-CD2 4.36Å; V231-F233 HydrophobicContact CG1-CE1 4.39Å; V231-F233 HydrophobicContact CG1-CE2 3.65Å; V231-F233 HydrophobicContact CG1-CZ 3.67Å; F233-L370 PolarHBondContact N-O 2.95Å; F233-L370 PolarHBondContact O-N 2.98Å; F233-L370 VanDerWaalsContact O-N 3.14Å
234R74.6Confident86.9Confident136 Ų13649.4 Ų49.451%0.51324%0.244SC..EExtended strand (participates in β ladder)trans-90.9124.2-175.9-168.6176.2-179.289.6-5.9112.2E232 I317 T368 S369 L732E232-R234 HydrophobicContact CG-CB 4.49Å; E232-R234 IonicContact OE1-NH1 2.87Å; R234-I317 VanDerWaalsContact NH2-CD1 3.26Å; R234-T368 CarbonylContact C-O 3.56Å; R234-T368 WeakPolarHBondContact CA-O 3.47Å; R234-T368 HydrophobicContact CG-CG2 4.09Å; R234-S369 PolarHBondContact NH1-OG 2.96Å; R234-L732 VanDerWaalsContact O-CD2 3.29Å; R234-L732 WeakPolarHBondContact O-CD2 3.4Å
235G72.4Confident87.7Confident22 Ų2246.9 Ų46.923%0.22723%0.229CC..  trans-96.2-167.1-176.700000116.3T368G235-T368 PolarHBondContact N-O 3.17Å
236K79.5Confident88.1Confident145 Ų14548.8 Ų48.863%0.6324%0.241SC*.SBendtrans-64.7149.3153.7-74.7-169.6176.2179.60108.7A238 A728K236-A238 PolarHBondContact O-N 3.21Å; K236-A238 VanDerWaalsContact O-N 3.14Å; K236-A728 HydrophobicContact CD-CB 3.65Å; K236-A728 VanDerWaalsContact CE-CB 3.44Å; K236-A728 HydrophobicContact CG-CB 3.79Å
237L84.9Confident88.6Confident66 Ų6645.3 Ų45.335%0.34622%0.217SC..  trans-52.3118.7173.6176.764000110.1I239 K301 I317 L320 T368L237-I239 HydrophobicContact CD1-CD1 4.34Å; L237-I239 HydrophobicContact CD1-CG1 4.07Å; L237-I239 HydrophobicContact CD2-CD1 4.44Å; L237-I239 HydrophobicContact CG-CD1 4.41Å; L237-I239 HydrophobicContact CG-CG1 4.34Å; L237-K301 HydrophobicContact CD2-CB 3.77Å; L237-K301 HydrophobicContact CD2-CD 3.68Å; L237-K301 HydrophobicContact CD2-CG 4.08Å; L237-I317 HydrophobicContact CD1-CD1 3.76Å; L237-I317 HydrophobicContact CD1-CG1 4.02Å; L237-I317 HydrophobicContact CD1-CG2 4.46Å; L237-L320 HydrophobicContact CD1-CD2 4.4Å; L237-L320 HydrophobicContact CD2-CD2 4.24Å; L237-T368 WeakPolarHBondContact CA-OG1 3.49Å; L237-T368 WeakPolarHBondContact CD1-OG1 3.35Å
238A85.5Confident88.9Confident3 Ų347.4 Ų47.43%0.02522%0.22CC..  trans-132.6117.3178.700000108.8K236 T298 F367 T368 M729K236-A238 PolarHBondContact O-N 3.21Å; K236-A238 VanDerWaalsContact O-N 3.14Å; A238-T298 HydrophobicContact CB-CG2 4.27Å; A238-F367 HydrophobicContact CB-CB 3.84Å; A238-F367 PolarHBondContact O-N 3.27Å; A238-T368 PolarHBondContact N-OG1 3.11Å; A238-T368 VanDerWaalsContact N-OG1 3.16Å; A238-M729 HydrophobicContact CB-SD 4.44Å
239I91.4Very high88.8Confident1 Ų149.9 Ų49.91%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-111.7116.4-177.7-58.4167.5000107.4L237 T298 A299 K301 L304 I310 L320 L321 M364L237-I239 HydrophobicContact CD1-CD1 4.34Å; L237-I239 HydrophobicContact CD1-CG1 4.07Å; L237-I239 HydrophobicContact CD2-CD1 4.44Å; L237-I239 HydrophobicContact CG-CD1 4.41Å; L237-I239 HydrophobicContact CG-CG1 4.34Å; I239-T298 CarbonylContact O-C 3.5Å; I239-T298 WeakPolarHBondContact O-CA 3.39Å; I239-A299 PolarHBondContact O-N 3.08Å; I239-K301 HydrophobicContact CD1-CB 4.19Å; I239-K301 HydrophobicContact CD1-CG 4.38Å; I239-L304 HydrophobicContact CB-CD1 4.13Å; I239-L304 HydrophobicContact CD1-CD1 3.85Å; I239-L304 HydrophobicContact CG2-CD1 3.76Å; I239-I310 HydrophobicContact CD1-CD1 4.22Å; I239-L320 HydrophobicContact CD1-CD2 4.13Å; I239-L321 HydrophobicContact CD1-CD2 4.18Å; I239-L321 HydrophobicContact CG1-CD2 4.3Å; I239-L321 HydrophobicContact CG2-CD1 4.49Å; I239-L321 HydrophobicContact CG2-CD2 3.9Å; I239-M364 HydrophobicContact CG2-CE 3.58Å
240A92.6Very high89.1Confident0 Ų044.9 Ų44.90%022%0.219CC..EExtended strand (participates in β ladder)trans-98.6142.1176.900000111.4M297 M364 F365 F367A240-M297 CarbonylContact C-O 3.6Å; A240-M297 VanDerWaalsContact CA-O 3.31Å; A240-M297 WeakPolarHBondContact CA-O 3.31Å; A240-M364 CarbonylContact O-C 3.17Å; A240-M364 VanDerWaalsContact O-CA 3.3Å; A240-M364 WeakPolarHBondContact O-CA 3.34Å; A240-F365 HydrophobicContact CB-CB 4.47Å; A240-F365 PolarHBondContact N-O 3.27Å; A240-F365 PolarHBondContact O-N 2.9Å; A240-F367 HydrophobicContact CB-CD2 3.47Å; A240-F367 VanDerWaalsContact CB-CD2 3.47Å; A240-F367 HydrophobicContact CB-CE1 4.49Å; A240-F367 HydrophobicContact CB-CE2 3.31Å; A240-F367 HydrophobicContact CB-CG 4.14Å; A240-F367 HydrophobicContact CB-CZ 3.87Å
241I95.9Very high89.3Confident0 Ų047.8 Ų47.80%024%0.236CC..EExtended strand (participates in β ladder)trans-117.1131.4170.4-59.9169.7000107V296 M297 A299 L304 L331 Y334 A335 I362 A363 M364I241-V296 WeakPolarHBondContact O-CA 3.28Å; I241-M297 HydrophobicContact CB-CG 3.8Å; I241-M297 HydrophobicContact CB-SD 4.39Å; I241-M297 PolarHBondContact N-O 3.1Å; I241-M297 PolarHBondContact O-N 3.12Å; I241-A299 HydrophobicContact CD1-CB 4.17Å; I241-L304 HydrophobicContact CD1-CD2 3.82Å; I241-L331 HydrophobicContact CD1-CD1 3.77Å; I241-L331 HydrophobicContact CG1-CD1 4.11Å; I241-L331 HydrophobicContact CG2-CD1 4.15Å; I241-Y334 HydrophobicContact CD1-CD1 3.88Å; I241-Y334 HydrophobicContact CD1-CE1 3.84Å; I241-A335 HydrophobicContact CG2-CB 4.25Å; I241-I362 HydrophobicContact CG2-CD1 4.33Å; I241-I362 HydrophobicContact CG2-CG1 4.2Å; I241-A363 WeakPolarHBondContact CA-O 3.4Å; I241-M364 HydrophobicContact CG1-CG 4.23Å
242T96.4Very high89.6Confident1 Ų147.3 Ų47.31%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-115.3137.6166.869.80000110.2N121 Y294 F295 V296 I362 A363 F365 W401N121-T242 PolarHBondContact ND2-OG1 2.97Å; T242-Y294 HydrophobicContact CG2-CE2 4.28Å; T242-F295 CarbonylContact C-O 3.59Å; T242-F295 VanDerWaalsContact CA-O 3.28Å; T242-F295 WeakPolarHBondContact CA-O 3.43Å; T242-V296 HydrophobicContact CG2-CB 4.02Å; T242-V296 HydrophobicContact CG2-CG2 3.85Å; T242-I362 WeakPolarHBondContact O-CA 3.32Å; T242-A363 PolarHBondContact N-O 3.41Å; T242-A363 PolarHBondContact O-N 3.38Å; T242-F365 HydrophobicContact CG2-CD2 4.23Å; T242-F365 HydrophobicContact CG2-CE2 4Å; T242-F365 WeakPolarHBondContact OG1-CE2 3.45Å; T242-W401 HydrophobicContact CG2-CE3 4.13Å; T242-W401 HydrophobicContact CG2-CZ3 3.85Å
243A97.6Very high90Very high0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-133.2139.217600000110.3F245 F295 A335 F352 D361 I362A243-F245 HydrophobicContact CB-CE2 3.92Å; A243-F245 HydrophobicContact CB-CZ 4.01Å; A243-F295 PolarHBondContact N-O 3.38Å; A243-F295 PolarHBondContact O-N 3.24Å; A243-A335 HydrophobicContact CB-CB 4.18Å; A243-F352 HydrophobicContact CB-CE1 3.95Å; A243-D361 WeakPolarHBondContact CA-O 3.32Å; A243-I362 HydrophobicContact CB-CG1 4.47Å
244N98.1Very high90.6Very high0 Ų044 Ų440%022%0.224CC..EExtended strand (participates in β ladder)trans-117.1121.2169.8-64.5-77.3000109.3N120 N121 T292 Y294 A353 D361N120-N244 HydrophobicContact CB-CB 4.39Å; N121-N244 PolarHBondContact OD1-ND2 3.41Å; N244-T292 HydrophobicContact CB-CG2 4.16Å; N244-T292 PolarHBondContact OD1-OG1 3.49Å; N244-T292 VanDerWaalsContact OD1-OG1 3.06Å; N244-Y294 WeakPolarHBondContact OD1-CD2 3.49Å; N244-A353 HydrophobicContact CB-CB 4.14Å; N244-A353 WeakPolarHBondContact O-CB 3.23Å; N244-A353 PolarHBondContact O-N 3.06Å; N244-D361 HydrophobicContact CB-CB 4.15Å; N244-D361 PolarHBondContact N-O 2.97Å; N244-D361 PolarHBondContact ND2-OD2 3.34Å
245F97.8Very high91.4Very high0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-102.9154.4170.9-49.8-85.9000110.7A243 N247 T292 H293 F295 R336 A339 L350 D351 F352A243-F245 HydrophobicContact CB-CE2 3.92Å; A243-F245 HydrophobicContact CB-CZ 4.01Å; F245-N247 PolarHBondContact O-N 3.44Å; F245-T292 WeakPolarHBondContact O-CA 3.22Å; F245-T292 VanDerWaalsContact O-CB 3.3Å; F245-T292 WeakPolarHBondContact O-CB 3.46Å; F245-H293 HydrophobicContact CB-CB 4.19Å; F245-H293 PolarHBondContact N-O 3.46Å; F245-H293 PolarHBondContact O-N 2.87Å; F245-F295 AromaticContact CD2-CD2 3.69Å; F245-F295 HydrophobicContact CD2-CD2 3.69Å; F245-F295 AromaticContact CD2-CE2 3.77Å; F245-F295 HydrophobicContact CD2-CE2 3.77Å; F245-F295 AromaticContact CE2-CD2 3.59Å; F245-F295 HydrophobicContact CE2-CD2 3.59Å; F245-F295 AromaticContact CE2-CE2 3.91Å; F245-F295 HydrophobicContact CE2-CE2 3.91Å; F245-F295 HydrophobicContact CE2-CG 4.42Å; F245-R336 HydrophobicContact CE1-CB 4.49Å; F245-R336 HydrophobicContact CE1-CG 4.41Å; F245-A339 HydrophobicContact CE2-CB 3.65Å; F245-A339 HydrophobicContact CZ-CB 4.04Å; F245-L350 HydrophobicContact CB-CD2 4.22Å; F245-L350 HydrophobicContact CD1-CB 3.87Å; F245-L350 HydrophobicContact CD1-CD2 4.21Å; F245-L350 WeakPolarHBondContact CD1-O 3.32Å; F245-L350 HydrophobicContact CD2-CD2 3.82Å; F245-L350 HydrophobicContact CE1-CB 4.03Å; F245-L350 HydrophobicContact CE2-CD2 4.2Å; F245-L350 HydrophobicContact CG-CB 4.33Å; F245-L350 HydrophobicContact CG-CD2 3.82Å; F245-D351 CarbonylContact C-O 3.51Å; F245-D351 VanDerWaalsContact CA-O 3.24Å; F245-D351 WeakPolarHBondContact CA-O 3.44Å; F245-D351 WeakPolarHBondContact CB-O 3.34Å; F245-F352 HydrophobicContact CD1-CD1 4.04Å; F245-F352 HydrophobicContact CD1-CD2 4.46Å; F245-F352 HydrophobicContact CD1-CE1 4.18Å; F245-F352 HydrophobicContact CD1-CG 4.19Å; F245-F352 HydrophobicContact CD1-CZ 4.46Å; F245-F352 AromaticContact CE1-CD1 3.83Å; F245-F352 HydrophobicContact CE1-CD1 3.83Å; F245-F352 HydrophobicContact CE1-CD2 4.16Å; F245-F352 AromaticContact CE1-CE1 3.5Å; F245-F352 HydrophobicContact CE1-CE1 3.5Å; F245-F352 VanDerWaalsContact CE1-CE1 3.5Å; F245-F352 AromaticContact CE1-CE2 3.87Å; F245-F352 HydrophobicContact CE1-CE2 3.87Å; F245-F352 HydrophobicContact CE1-CG 4.15Å; F245-F352 AromaticContact CE1-CZ 3.52Å; F245-F352 HydrophobicContact CE1-CZ 3.52Å; F245-F352 AromaticContact CZ-CE1 3.9Å; F245-F352 HydrophobicContact CZ-CE1 3.9Å; F245-F352 HydrophobicContact CZ-CZ 4.01Å
246V96.9Very high92.3Very high46 Ų4645.7 Ų45.728%0.27922%0.224SC..EExtended strand (participates in β ladder)trans-64.8120.2179.8178.30000109.8H293 D351 A353V246-H293 PolarHBondContact O-CD2 3.01Å; V246-D351 PolarHBondContact N-O 3.5Å; V246-A353 HydrophobicContact CG2-CB 4.33Å
247N95.1Very high92.8Very high14 Ų1443.6 Ų43.68%0.07523%0.226CC..PPolyproline II helixtrans-90.4116.3168.1-173.9-0.1000109.2F245 H249 D290 H293F245-N247 PolarHBondContact O-N 3.44Å; N247-H249 PolarHBondContact ND2-CE1 3.06Å; N247-H249 PolarHBondContact ND2-ND1 3Å; N247-H249 PolarHBondContact OD1-N 2.98Å; N247-D290 PolarHBondContact ND2-O 2.87Å; N247-H293 PolarHBondContact OD1-CE1 3.29Å; N247-H293 PolarHBondContact OD1-NE2 3.48Å
248N93.6Very high93.1Very high80 Ų8043.8 Ų43.843%0.42823%0.225SC..  trans-88.2-9178.8-65.6-84.5000112.7T250 E253 R653N248-T250 HydrophobicContact CB-CG2 4.17Å; N248-E253 WeakPolarHBondContact CB-OE2 3.42Å; N248-E253 PolarHBondContact N-OE1 3.4Å; N248-E253 PolarHBondContact N-OE2 2.9Å; N248-R653 PolarHBondContact O-NH2 2.95Å
249H90.7Very high93.1Very high66 Ų6644.6 Ų44.631%0.30623%0.228SC..  trans58.340.9-172.1-57.5-69.8000113.1N247 E253 E254N247-H249 PolarHBondContact ND2-CE1 3.06Å; N247-H249 PolarHBondContact ND2-ND1 3Å; N247-H249 PolarHBondContact OD1-N 2.98Å; H249-E253 PolarHBondContact N-OE2 3.23Å; H249-E254 IonicContact CE1-OE1 3.47Å; H249-E254 IonicContact CG-OE1 2.84Å; H249-E254 IonicContact ND1-OE1 3.54Å; H249-E254 PolarHBondContact ND1-OE1 2.92Å
250T93.6Very high92.3Very high60 Ų6047.1 Ų47.137%0.36825%0.247SC..  trans-75.6155.6169.164.40000111.2N248 A252 E253 E254N248-T250 HydrophobicContact CB-CG2 4.17Å; T250-A252 PolarHBondContact O-N 3.24Å; T250-A252 VanDerWaalsContact O-N 3.15Å; T250-E253 VanDerWaalsContact CB-OE2 3.27Å; T250-E253 WeakPolarHBondContact CB-OE2 3.43Å; T250-E253 WeakPolarHBondContact CG2-OE2 3.31Å; T250-E253 PolarHBondContact N-OE2 2.99Å; T250-E253 PolarHBondContact O-N 3.41Å; T250-E253 WeakPolarHBondContact OG1-CG 3.49Å; T250-E253 PolarHBondContact OG1-N 3.33Å; T250-E253 PolarHBondContact OG1-OE2 3.37Å; T250-E254 WeakPolarHBondContact O-CG 3.47Å; T250-E254 PolarHBondContact O-N 2.83Å
251E91.2Very high90.9Very high140 Ų14048 Ų4865%0.65426%0.255SS*.Hα-helixtrans-58.6-27.6176.5-72.5-166.5-154.100113.9R255E251-R255 VanDerWaalsContact O-CD 3.26Å; E251-R255 WeakPolarHBondContact O-CD 3.49Å; E251-R255 WeakPolarHBondContact O-CG 3.4Å; E251-R255 PolarHBondContact O-N 3.47Å; E251-R255 PolarHBondContact O-NE 2.93Å; E251-R255 IonicContact OE2-CZ 3.97Å; E251-R255 IonicContact OE2-NH2 3.37Å; E251-R255 PolarHBondContact OE2-NH2 3.39Å
252A91.6Very high89.1Confident49 Ų4948.8 Ų48.841%0.40526%0.26SS..Hα-helixtrans-68.8-52.1175.800000110.6T250 E254 R255T250-A252 PolarHBondContact O-N 3.24Å; T250-A252 VanDerWaalsContact O-N 3.15Å; A252-E254 VanDerWaalsContact C-N 3.33Å; A252-E254 PolarHBondContact O-N 2.86Å; A252-R255 PolarHBondContact O-N 3.48Å; A252-R255 VanDerWaalsContact O-N 3.15Å
253E93Very high87.4Confident2 Ų249.7 Ų49.71%0.00927%0.267CS..Hα-helixtrans-57.1-44.4175.1-70.2165.2113.700111.7N248 H249 T250 R255 V256 K289 H293 L347 P348N248-E253 WeakPolarHBondContact CB-OE2 3.42Å; N248-E253 PolarHBondContact N-OE1 3.4Å; N248-E253 PolarHBondContact N-OE2 2.9Å; H249-E253 PolarHBondContact N-OE2 3.23Å; T250-E253 VanDerWaalsContact CB-OE2 3.27Å; T250-E253 WeakPolarHBondContact CB-OE2 3.43Å; T250-E253 WeakPolarHBondContact CG2-OE2 3.31Å; T250-E253 PolarHBondContact N-OE2 2.99Å; T250-E253 PolarHBondContact O-N 3.41Å; T250-E253 WeakPolarHBondContact OG1-CG 3.49Å; T250-E253 PolarHBondContact OG1-N 3.33Å; T250-E253 PolarHBondContact OG1-OE2 3.37Å; E253-R255 PolarHBondContact O-N 3Å; E253-V256 PolarHBondContact O-N 3.19Å; E253-K289 WeakPolarHBondContact O-CE 3.25Å; E253-K289 PolarHBondContact O-NZ 2.99Å; E253-H293 IonicContact OE1-CD2 3.9Å; E253-H293 IonicContact OE1-CE1 2.76Å; E253-H293 IonicContact OE1-NE2 3.76Å; E253-H293 PolarHBondContact OE1-NE2 3.06Å; E253-L347 HydrophobicContact CG-CD2 4.24Å; E253-P348 HydrophobicContact CG-CG 4.11Å
254E89.9Confident85.6Confident93 Ų9352.8 Ų52.844%0.43528%0.28SS..Hα-helixtrans-67-20.1-179.3-67.5-61.9166.100113.4H249 T250 A252 K289H249-E254 IonicContact CE1-OE1 3.47Å; H249-E254 IonicContact CG-OE1 2.84Å; H249-E254 IonicContact ND1-OE1 3.54Å; H249-E254 PolarHBondContact ND1-OE1 2.92Å; T250-E254 WeakPolarHBondContact O-CG 3.47Å; T250-E254 PolarHBondContact O-N 2.83Å; A252-E254 VanDerWaalsContact C-N 3.33Å; A252-E254 PolarHBondContact O-N 2.86Å; E254-K289 PolarHBondContact O-NZ 2.97Å; E254-K289 WeakPolarHBondContact OE2-CD 3.49Å
255R91.7Very high83.9Confident187 Ų18755.6 Ų55.671%0.70629%0.294SS*.Hα-helixtrans-83.1-21174.4-72.5165.4-162.8-126.97.9114.5E251 A252 E253E251-R255 VanDerWaalsContact O-CD 3.26Å; E251-R255 WeakPolarHBondContact O-CD 3.49Å; E251-R255 WeakPolarHBondContact O-CG 3.4Å; E251-R255 PolarHBondContact O-N 3.47Å; E251-R255 PolarHBondContact O-NE 2.93Å; E251-R255 IonicContact OE2-CZ 3.97Å; E251-R255 IonicContact OE2-NH2 3.37Å; E251-R255 PolarHBondContact OE2-NH2 3.39Å; A252-R255 PolarHBondContact O-N 3.48Å; A252-R255 VanDerWaalsContact O-N 3.15Å; E253-R255 PolarHBondContact O-N 3Å
256V91.7Very high82.4Confident6 Ų659.3 Ų59.34%0.03631%0.311CS..SBendtrans-64.8126.4-178.8-173.30000110.4E253 Y287 K289 C343 A346 L347E253-V256 PolarHBondContact O-N 3.19Å; V256-Y287 HydrophobicContact CG1-CE1 3.91Å; V256-K289 VanDerWaalsContact O-CE 3.28Å; V256-K289 WeakPolarHBondContact O-CE 3.45Å; V256-K289 PolarHBondContact O-NZ 2.82Å; V256-C343 HydrophobicContact CG1-CB 3.98Å; V256-A346 HydrophobicContact CG1-CB 4.44Å; V256-A346 HydrophobicContact CG2-CB 3.82Å; V256-L347 HydrophobicContact CB-CD2 4.34Å; V256-L347 HydrophobicContact CG1-CG 4.41Å; V256-L347 HydrophobicContact CG2-CD2 3.83Å; V256-L347 HydrophobicContact CG2-CG 4.18Å
257P90.3Very high81.6Confident101 Ų10163 Ų6366%0.65632%0.319SS*.PPolyproline II helixtrans-71147.8178.129.9-34.9000111.7Y287P257-Y287 WeakPolarHBondContact O-CD1 3.43Å; P257-Y287 WeakPolarHBondContact O-CE1 3.3Å
258E90.6Very high81.1Confident70 Ų7066.6 Ų66.633%0.32734%0.336SS..PPolyproline II helixtrans-77.3160.9173.8-66.8-176.5154.700112.2H152 Y287 K289H152-E258 IonicContact CE1-OE1 3.84Å; H152-E258 IonicContact NE2-OE1 2.87Å; H152-E258 PolarHBondContact NE2-OE1 3.13Å; H152-E258 IonicContact NE2-OE2 2.59Å; H152-E258 PolarHBondContact NE2-OE2 3.45Å; E258-Y287 WeakPolarHBondContact CB-O 3.39Å; E258-K289 HydrophobicContact CG-CB 4.17Å; E258-K289 WeakPolarHBondContact OE1-CA 3.48Å; E258-K289 VanDerWaalsContact OE1-CB 3.27Å; E258-K289 WeakPolarHBondContact OE1-CB 3.36Å; E258-K289 PolarHBondContact OE1-N 2.88Å
259I86.2Confident80.8Confident20 Ų2067.3 Ų67.310%0.10334%0.337CS..EExtended strand (participates in β ladder)trans-120.995.7179.1-53.7168.7000107.9G261 T262 V286 Y287 A342I259-G261 PolarHBondContact O-N 3.39Å; I259-T262 HydrophobicContact CG2-CG2 3.77Å; I259-T262 WeakPolarHBondContact CG2-OG1 3.29Å; I259-V286 CarbonylContact O-C 3.55Å; I259-V286 VanDerWaalsContact O-CA 3.3Å; I259-V286 WeakPolarHBondContact O-CA 3.47Å; I259-V286 WeakPolarHBondContact O-CG1 3.21Å; I259-Y287 HydrophobicContact CG1-CD1 4.39Å; I259-Y287 PolarHBondContact N-O 3.06Å; I259-Y287 PolarHBondContact O-N 2.96Å; I259-A342 HydrophobicContact CD1-CB 3.89Å; I259-A342 WeakPolarHBondContact CD1-O 3.35Å
260S73.2Confident80.7Confident55 Ų5565.6 Ų65.639%0.38533%0.328SS..EExtended strand (participates in β ladder)trans-73.935.6-176.252.90000114.8
261G63.6Low80.6Confident17 Ų1762.8 Ų62.818%0.17531%0.311CS..EExtended strand (participates in β ladder)trans90.362.7179.700000114.2I259 S263I259-G261 PolarHBondContact O-N 3.39Å; G261-S263 PolarHBondContact O-N 3.32Å
262T59.1Low80.6Confident17 Ų1760.9 Ų60.910%0.10430%0.298CS..EExtended strand (participates in β ladder)trans-66.9117.2164.348.40000108.4I259 R267 F271 N284 I285I259-T262 HydrophobicContact CG2-CG2 3.77Å; I259-T262 WeakPolarHBondContact CG2-OG1 3.29Å; T262-R267 HydrophobicContact CG2-CG 4.09Å; T262-F271 VanDerWaalsContact O-CZ 3.31Å; T262-F271 WeakPolarHBondContact O-CZ 3.31Å; T262-N284 WeakPolarHBondContact O-CA 3.38Å; T262-I285 PolarHBondContact N-O 3.38Å; T262-I285 PolarHBondContact O-N 2.93Å; T262-I285 PolarHBondContact OG1-O 2.86Å
263S60.5Low80.7Confident21 Ų2162.5 Ų62.515%0.14730%0.297CS..EExtended strand (participates in β ladder)trans-98.8157.1166.767.90000110.8G261 I265 F266 R267 F271 E283G261-S263 PolarHBondContact O-N 3.32Å; S263-I265 PolarHBondContact O-N 2.8Å; S263-F266 PolarHBondContact O-N 3.14Å; S263-F266 VanDerWaalsContact OG-CD2 3.32Å; S263-F266 WeakPolarHBondContact OG-CD2 3.37Å; S263-R267 PolarHBondContact O-N 2.87Å; S263-F271 VanDerWaalsContact C-CE2 3.42Å; S263-E283 WeakPolarHBondContact CA-O 3.32Å
264F59.8Low80.7Confident65 Ų6562.4 Ų62.429%0.28530%0.297SS..THydrogen-bonded Turntrans-46.5-36.3177.4-176.3-88.9000112.1F266 Q268 F271 E283F264-F266 VanDerWaalsContact C-N 3.31Å; F264-F266 PolarHBondContact O-N 3.02Å; F264-Q268 HydrophobicContact CD1-CG 4.16Å; F264-Q268 HydrophobicContact CE1-CB 4.48Å; F264-Q268 HydrophobicContact CE1-CG 3.89Å; F264-Q268 HydrophobicContact CZ-CB 4.44Å; F264-Q268 HydrophobicContact CZ-CG 4.33Å; F264-Q268 VanDerWaalsContact O-CA 3.27Å; F264-Q268 WeakPolarHBondContact O-CA 3.35Å; F264-Q268 WeakPolarHBondContact O-CG 3.31Å; F264-Q268 PolarHBondContact O-N 2.88Å; F264-F271 VanDerWaalsContact CA-CD2 3.46Å; F264-F271 HydrophobicContact CB-CD2 4.23Å; F264-F271 HydrophobicContact CD2-CB 3.49Å; F264-F271 VanDerWaalsContact CD2-CB 3.49Å; F264-F271 HydrophobicContact CD2-CD2 4.3Å; F264-F271 AromaticContact CD2-CG 3.98Å; F264-F271 HydrophobicContact CD2-CG 3.98Å; F264-F271 HydrophobicContact CE2-CB 3.9Å; F264-E283 WeakPolarHBondContact CB-O 3.41Å; F264-E283 PolarHBondContact N-O 2.78Å
265I62.6Low80.9Confident58 Ų5864.8 Ų64.830%0.29730%0.302SS..THydrogen-bonded Turntrans-60.2-37.1-177.7-54.5174.3000112.5S263 K723 T727S263-I265 PolarHBondContact O-N 2.8Å; I265-K723 HydrophobicContact CG2-CB 4.43Å; I265-K723 HydrophobicContact CG2-CD 3.95Å; I265-T727 HydrophobicContact CD1-CG2 3.72Å
266F64.5Low81Confident78 Ų7863.1 Ų63.134%0.34230%0.302SS..THydrogen-bonded Turntrans-94.4-35-175.6-64.2-89.9000113.2S263 F264 M720 K723S263-F266 PolarHBondContact O-N 3.14Å; S263-F266 VanDerWaalsContact OG-CD2 3.32Å; S263-F266 WeakPolarHBondContact OG-CD2 3.37Å; F264-F266 VanDerWaalsContact C-N 3.31Å; F264-F266 PolarHBondContact O-N 3.02Å; F266-M720 HydrophobicContact CD2-CG 4.26Å; F266-M720 HydrophobicContact CE2-CB 4.35Å; F266-M720 HydrophobicContact CE2-CG 3.3Å; F266-M720 HydrophobicContact CE2-SD 4.48Å; F266-M720 HydrophobicContact CZ-CB 4.18Å; F266-M720 HydrophobicContact CZ-CG 3.53Å; F266-K723 HydrophobicContact CE1-CD 4.17Å; F266-K723 HydrophobicContact CZ-CD 3.79Å
267R81.4Confident81.2Confident123 Ų12366.3 Ų66.346%0.46433%0.329SS..  trans-121.550.8-179.8-60.6-160.2-175.9-177.35.6112.3T262 S263 Q269 F270 F271T262-R267 HydrophobicContact CG2-CG 4.09Å; S263-R267 PolarHBondContact O-N 2.87Å; R267-Q269 PolarHBondContact O-N 3Å; R267-F270 HydrophobicContact CB-CB 3.95Å; R267-F270 WeakPolarHBondContact O-CB 3.41Å; R267-F270 PolarHBondContact O-N 3.41Å; R267-F270 VanDerWaalsContact O-N 3.08Å; R267-F271 VanDerWaalsContact O-CD2 3.32Å; R267-F271 WeakPolarHBondContact O-CD2 3.5Å; R267-F271 PolarHBondContact O-N 3.04Å
268Q83.4Confident81.4Confident90 Ų9062.8 Ų62.842%0.42131%0.306SS..Hα-helixtrans-49.1-37180-65.5-177.422.200112.9F264 F271 R272F264-Q268 HydrophobicContact CD1-CG 4.16Å; F264-Q268 HydrophobicContact CE1-CB 4.48Å; F264-Q268 HydrophobicContact CE1-CG 3.89Å; F264-Q268 HydrophobicContact CZ-CB 4.44Å; F264-Q268 HydrophobicContact CZ-CG 4.33Å; F264-Q268 VanDerWaalsContact O-CA 3.27Å; F264-Q268 WeakPolarHBondContact O-CA 3.35Å; F264-Q268 WeakPolarHBondContact O-CG 3.31Å; F264-Q268 PolarHBondContact O-N 2.88Å; Q268-F271 PolarHBondContact O-N 3.36Å; Q268-R272 WeakPolarHBondContact O-CG 3.36Å; Q268-R272 PolarHBondContact O-N 3.41Å
269Q88.2Confident81.6Confident95 Ų9561.2 Ų61.244%0.44431%0.308SS..Hα-helixtrans-63.5-52.3179-172.958.720.700112.1R267 F271 R272 E273R267-Q269 PolarHBondContact O-N 3Å; Q269-F271 VanDerWaalsContact C-N 3.3Å; Q269-F271 PolarHBondContact O-N 2.78Å; Q269-R272 WeakPolarHBondContact O-CB 3.41Å; Q269-R272 PolarHBondContact O-N 3.32Å; Q269-E273 HydrophobicContact CG-CG 4.49Å; Q269-E273 VanDerWaalsContact CG-OE1 3.27Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.27Å; Q269-E273 PolarHBondContact NE2-OE1 2.92Å; Q269-E273 WeakPolarHBondContact O-CG 3.32Å; Q269-E273 PolarHBondContact O-N 2.85Å
270F89.4Confident82.1Confident30 Ų3060.3 Ų60.313%0.13230%0.303CS..Hα-helixtrans-53.9-42.2175.3164.7-95.3000112.9R267 M274 I285 F341 A342R267-F270 HydrophobicContact CB-CB 3.95Å; R267-F270 WeakPolarHBondContact O-CB 3.41Å; R267-F270 PolarHBondContact O-N 3.41Å; R267-F270 VanDerWaalsContact O-N 3.08Å; F270-M274 HydrophobicContact CE1-CE 3.87Å; F270-M274 HydrophobicContact CE2-CE 4.39Å; F270-M274 HydrophobicContact CZ-CE 3.58Å; F270-M274 WeakPolarHBondContact O-CB 3.28Å; F270-M274 PolarHBondContact O-N 2.82Å; F270-I285 HydrophobicContact CE1-CG2 3.97Å; F270-I285 HydrophobicContact CZ-CG2 4.31Å; F270-F341 AromaticContact CD2-CE1 4Å; F270-F341 HydrophobicContact CD2-CE1 4Å; F270-F341 AromaticContact CE2-CD1 3.95Å; F270-F341 HydrophobicContact CE2-CD1 3.95Å; F270-F341 AromaticContact CE2-CE1 3.8Å; F270-F341 HydrophobicContact CE2-CE1 3.8Å; F270-F341 HydrophobicContact CZ-CD1 4.35Å; F270-F341 HydrophobicContact CZ-CE1 4.47Å; F270-A342 HydrophobicContact CZ-CB 3.99Å
271F91.2Very high83Confident2 Ų258.5 Ų58.51%0.00929%0.29CS..Hα-helixtrans-75.2-27.1178.4-71.4-79.3000113.5T262 S263 F264 R267 Q268 Q269 R275 L282 I285T262-F271 VanDerWaalsContact O-CZ 3.31Å; T262-F271 WeakPolarHBondContact O-CZ 3.31Å; S263-F271 VanDerWaalsContact C-CE2 3.42Å; F264-F271 VanDerWaalsContact CA-CD2 3.46Å; F264-F271 HydrophobicContact CB-CD2 4.23Å; F264-F271 HydrophobicContact CD2-CB 3.49Å; F264-F271 VanDerWaalsContact CD2-CB 3.49Å; F264-F271 HydrophobicContact CD2-CD2 4.3Å; F264-F271 AromaticContact CD2-CG 3.98Å; F264-F271 HydrophobicContact CD2-CG 3.98Å; F264-F271 HydrophobicContact CE2-CB 3.9Å; R267-F271 VanDerWaalsContact O-CD2 3.32Å; R267-F271 WeakPolarHBondContact O-CD2 3.5Å; R267-F271 PolarHBondContact O-N 3.04Å; Q268-F271 PolarHBondContact O-N 3.36Å; Q269-F271 VanDerWaalsContact C-N 3.3Å; Q269-F271 PolarHBondContact O-N 2.78Å; F271-R275 WeakPolarHBondContact O-CB 3.29Å; F271-R275 PolarHBondContact O-N 3.37Å; F271-L282 HydrophobicContact CD1-CB 3.95Å; F271-L282 HydrophobicContact CE1-CB 3.83Å; F271-L282 HydrophobicContact CE1-CD1 4.48Å; F271-I285 HydrophobicContact CE1-CG2 4.11Å; F271-I285 HydrophobicContact CZ-CG2 3.99Å
272R91.3Very high84.4Confident99 Ų9957.7 Ų57.737%0.37428%0.281SS..Hα-helixtrans-67.6-49.6168.7-76.7-173.1-66.6-107.56.1110.6Q268 Q269 M274 R275 E276Q268-R272 WeakPolarHBondContact O-CG 3.36Å; Q268-R272 PolarHBondContact O-N 3.41Å; Q269-R272 WeakPolarHBondContact O-CB 3.41Å; Q269-R272 PolarHBondContact O-N 3.32Å; R272-M274 PolarHBondContact O-N 3.05Å; R272-R275 WeakPolarHBondContact O-CB 3.45Å; R272-R275 PolarHBondContact O-N 3.32Å; R272-R275 VanDerWaalsContact O-N 3.12Å; R272-E276 WeakPolarHBondContact O-CB 3.36Å; R272-E276 WeakPolarHBondContact O-CG 3.31Å; R272-E276 PolarHBondContact O-N 3.36Å
273E93Very high85.8Confident83 Ų8359.9 Ų59.939%0.38829%0.29SS..Hα-helixtrans-59.8-43.7178-69.9162.5170.200111.5Q269 R275 E276 A277 F341Q269-E273 HydrophobicContact CG-CG 4.49Å; Q269-E273 VanDerWaalsContact CG-OE1 3.27Å; Q269-E273 WeakPolarHBondContact CG-OE1 3.27Å; Q269-E273 PolarHBondContact NE2-OE1 2.92Å; Q269-E273 WeakPolarHBondContact O-CG 3.32Å; Q269-E273 PolarHBondContact O-N 2.85Å; E273-R275 PolarHBondContact O-N 2.84Å; E273-E276 PolarHBondContact O-N 2.67Å; E273-A277 VanDerWaalsContact O-CB 3.27Å; E273-A277 WeakPolarHBondContact O-CB 3.45Å; E273-A277 PolarHBondContact O-N 2.85Å; E273-F341 HydrophobicContact CB-CZ 4.07Å
274M93.2Very high87.2Confident0 Ų059.4 Ų59.40%029%0.286CS..Hα-helixtrans-56.5-48.6172.9-179.2-178.7-79.800111.3F270 R272 E276 A277 T278 I280 L282 F341 A342F270-M274 HydrophobicContact CE1-CE 3.87Å; F270-M274 HydrophobicContact CE2-CE 4.39Å; F270-M274 HydrophobicContact CZ-CE 3.58Å; F270-M274 WeakPolarHBondContact O-CB 3.28Å; F270-M274 PolarHBondContact O-N 2.82Å; R272-M274 PolarHBondContact O-N 3.05Å; M274-E276 PolarHBondContact O-N 3.07Å; M274-A277 PolarHBondContact O-N 2.58Å; M274-T278 WeakPolarHBondContact O-CB 3.26Å; M274-T278 PolarHBondContact O-N 3.37Å; M274-T278 PolarHBondContact O-OG1 3.2Å; M274-I280 HydrophobicContact CG-CB 4.45Å; M274-I280 HydrophobicContact SD-CG2 4.21Å; M274-L282 HydrophobicContact CE-CD1 4.35Å; M274-L282 HydrophobicContact SD-CD1 3.62Å; M274-L282 HydrophobicContact SD-CG 4.09Å; M274-F341 VanDerWaalsContact CA-CZ 3.49Å; M274-F341 HydrophobicContact CB-CD1 3.77Å; M274-F341 HydrophobicContact CB-CE1 3.54Å; M274-F341 HydrophobicContact CB-CG 4.46Å; M274-F341 HydrophobicContact CB-CZ 4.06Å; M274-F341 HydrophobicContact CE-CB 4.43Å; M274-F341 HydrophobicContact CE-CD1 3.59Å; M274-F341 HydrophobicContact CE-CE1 4.33Å; M274-F341 HydrophobicContact CE-CG 4.35Å; M274-F341 HydrophobicContact CG-CD1 3.91Å; M274-F341 HydrophobicContact CG-CE1 4.22Å; M274-F341 HydrophobicContact CG-CG 4.31Å; M274-A342 HydrophobicContact CE-CB 4.25Å
275R93.9Very high88.7Confident143 Ų14356.3 Ų56.354%0.5427%0.272SS..Hα-helixtrans-64.2-40.7-179.9-176.2-176.9174.5-167.6-5112.2F271 R272 E273 G279 I280 D281F271-R275 WeakPolarHBondContact O-CB 3.29Å; F271-R275 PolarHBondContact O-N 3.37Å; R272-R275 WeakPolarHBondContact O-CB 3.45Å; R272-R275 PolarHBondContact O-N 3.32Å; R272-R275 VanDerWaalsContact O-N 3.12Å; E273-R275 PolarHBondContact O-N 2.84Å; R275-G279 VanDerWaalsContact O-CA 3.25Å; R275-G279 WeakPolarHBondContact O-CA 3.26Å; R275-G279 PolarHBondContact O-N 3.46Å; R275-I280 VanDerWaalsContact CA-O 3.23Å; R275-I280 WeakPolarHBondContact CA-O 3.28Å; R275-I280 WeakPolarHBondContact CB-O 3.44Å; R275-I280 PolarHBondContact N-O 2.8Å; R275-D281 HydrophobicContact CG-CB 4.24Å; R275-D281 IonicContact CZ-OD2 2.68Å; R275-D281 IonicContact NE-OD2 2.65Å; R275-D281 IonicContact NH1-OD2 2.7Å
276E94.7Very high90Very high153 Ų15353.6 Ų53.672%0.71526%0.259SS*.Hα-helixtrans-68.4-38.1178.4-73166.3-158.400111.9R272 E273 M274R272-E276 WeakPolarHBondContact O-CB 3.36Å; R272-E276 WeakPolarHBondContact O-CG 3.31Å; R272-E276 PolarHBondContact O-N 3.36Å; E273-E276 PolarHBondContact O-N 2.67Å; M274-E276 PolarHBondContact O-N 3.07Å
277A94.8Very high91.4Very high72 Ų7249.9 Ų49.960%0.59524%0.242SC*.Hα-helixtrans-81.1-33.7-179.100000114.6E273 M274 F341E273-A277 VanDerWaalsContact O-CB 3.27Å; E273-A277 WeakPolarHBondContact O-CB 3.45Å; E273-A277 PolarHBondContact O-N 2.85Å; M274-A277 PolarHBondContact O-N 2.58Å; A277-F341 HydrophobicContact CB-CD2 4.23Å; A277-F341 HydrophobicContact CB-CE2 3.74Å
278T94.1Very high91.9Very high28 Ų2845 Ų4517%0.17222%0.224CC..Hα-helixtrans-123-14.2-168.867.90000114.8M274 I280 K307 F341M274-T278 WeakPolarHBondContact O-CB 3.26Å; M274-T278 PolarHBondContact O-N 3.37Å; M274-T278 PolarHBondContact O-OG1 3.2Å; T278-I280 PolarHBondContact O-N 3.31Å; T278-I280 VanDerWaalsContact OG1-CB 3.23Å; T278-I280 WeakPolarHBondContact OG1-CB 3.25Å; T278-I280 WeakPolarHBondContact OG1-CG1 3.34Å; T278-I280 PolarHBondContact OG1-N 3.34Å; T278-I280 VanDerWaalsContact OG1-N 3.17Å; T278-K307 PolarHBondContact O-NZ 3.39Å; T278-F341 HydrophobicContact CG2-CB 4.4Å; T278-F341 HydrophobicContact CG2-CD2 4.12Å; T278-F341 HydrophobicContact CG2-CG 4.47Å
279G94.8Very high92.3Very high37 Ų3741.9 Ų41.938%0.38121%0.209SC..SBendtrans76.43.3-169.100000114.9R275 S303R275-G279 VanDerWaalsContact O-CA 3.25Å; R275-G279 WeakPolarHBondContact O-CA 3.26Å; R275-G279 PolarHBondContact O-N 3.46Å; G279-S303 PolarHBondContact O-OG 3.16Å; G279-S303 VanDerWaalsContact O-OG 3.08Å
280I96.4Very high92.5Very high0 Ų038 Ų380%019%0.192CC..  trans-89122.3-176.1-61.2179000109.8M274 R275 T278 L282 S303 Y334 E337 A338M274-I280 HydrophobicContact CG-CB 4.45Å; M274-I280 HydrophobicContact SD-CG2 4.21Å; R275-I280 VanDerWaalsContact CA-O 3.23Å; R275-I280 WeakPolarHBondContact CA-O 3.28Å; R275-I280 WeakPolarHBondContact CB-O 3.44Å; R275-I280 PolarHBondContact N-O 2.8Å; T278-I280 PolarHBondContact O-N 3.31Å; T278-I280 VanDerWaalsContact OG1-CB 3.23Å; T278-I280 WeakPolarHBondContact OG1-CB 3.25Å; T278-I280 WeakPolarHBondContact OG1-CG1 3.34Å; T278-I280 PolarHBondContact OG1-N 3.34Å; T278-I280 VanDerWaalsContact OG1-N 3.17Å; I280-L282 HydrophobicContact CG2-CD1 4.2Å; I280-L282 HydrophobicContact CG2-CD2 3.75Å; I280-L282 HydrophobicContact CG2-CG 3.75Å; I280-S303 WeakPolarHBondContact CA-OG 3.49Å; I280-Y334 HydrophobicContact CB-CE2 4.44Å; I280-Y334 HydrophobicContact CD1-CD1 4.48Å; I280-Y334 HydrophobicContact CD1-CD2 4.43Å; I280-Y334 HydrophobicContact CD1-CG 4.35Å; I280-Y334 WeakPolarHBondContact CD1-O 3.45Å; I280-Y334 HydrophobicContact CG1-CD2 4.15Å; I280-Y334 HydrophobicContact CG1-CE2 4.01Å; I280-Y334 HydrophobicContact CG2-CE1 3.78Å; I280-Y334 HydrophobicContact CG2-CE2 4.16Å; I280-Y334 WeakPolarHBondContact CG2-OH 3.28Å; I280-E337 HydrophobicContact CD1-CB 3.75Å; I280-A338 HydrophobicContact CD1-CB 4.01Å; I280-A338 HydrophobicContact CG2-CB 4.26Å
281D94.1Very high92.6Very high18 Ų1839.3 Ų39.310%0.09620%0.198CC..  trans-115.5106.1178.4-165.1-0.9000111.3R275 K300 S303R275-D281 HydrophobicContact CG-CB 4.24Å; R275-D281 IonicContact CZ-OD2 2.68Å; R275-D281 IonicContact NE-OD2 2.65Å; R275-D281 IonicContact NH1-OD2 2.7Å; D281-K300 HydrophobicContact CB-CD 4.33Å; D281-K300 PolarHBondContact O-N 2.86Å; D281-K300 VanDerWaalsContact O-N 3.1Å; D281-K300 IonicContact OD1-NZ 3.21Å; D281-K300 PolarHBondContact OD1-NZ 2.78Å; D281-K300 WeakPolarHBondContact OD2-CD 3.45Å; D281-K300 IonicContact OD2-NZ 3.07Å; D281-K300 PolarHBondContact OD2-NZ 2.93Å; D281-S303 PolarHBondContact N-OG 3.2Å
282L92.7Very high92.7Very high0 Ų039.9 Ų39.90%020%0.201CC..EExtended strand (participates in β ladder)trans-111.1151.1-176.2-54.1-179.9000112.2F271 M274 I280 I285 M297 T298 A299 Y334 A338F271-L282 HydrophobicContact CD1-CB 3.95Å; F271-L282 HydrophobicContact CE1-CB 3.83Å; F271-L282 HydrophobicContact CE1-CD1 4.48Å; M274-L282 HydrophobicContact CE-CD1 4.35Å; M274-L282 HydrophobicContact SD-CD1 3.62Å; M274-L282 HydrophobicContact SD-CG 4.09Å; I280-L282 HydrophobicContact CG2-CD1 4.2Å; I280-L282 HydrophobicContact CG2-CD2 3.75Å; I280-L282 HydrophobicContact CG2-CG 3.75Å; L282-I285 HydrophobicContact CD1-CB 4.24Å; L282-I285 HydrophobicContact CD1-CD1 4.05Å; L282-M297 HydrophobicContact CD1-CB 3.98Å; L282-M297 HydrophobicContact CD1-SD 4.27Å; L282-M297 HydrophobicContact CD2-CB 4.29Å; L282-M297 HydrophobicContact CD2-CG 4.37Å; L282-M297 HydrophobicContact CD2-SD 4.28Å; L282-T298 CarbonylContact C-O 3.57Å; L282-T298 WeakPolarHBondContact CA-O 3.28Å; L282-A299 HydrophobicContact CD2-CB 3.78Å; L282-Y334 HydrophobicContact CD2-CE1 4.11Å; L282-A338 HydrophobicContact CD1-CB 4.43Å
283E88.6Confident93Very high62 Ų6235.1 Ų35.129%0.2918%0.184SC..EExtended strand (participates in β ladder)trans-89.9-29168.8-58.1-161.3164.400112.8S263 F264 T298 K300S263-E283 WeakPolarHBondContact CA-O 3.32Å; F264-E283 WeakPolarHBondContact CB-O 3.41Å; F264-E283 PolarHBondContact N-O 2.78Å; E283-T298 HydrophobicContact CB-CG2 4.36Å; E283-T298 PolarHBondContact N-O 3.41Å; E283-K300 HydrophobicContact CG-CG 4.12Å
284N88.8Confident93.1Very high11 Ų1131.5 Ų31.56%0.05917%0.166CC..EExtended strand (participates in β ladder)trans-157.4158.6175.157.262.4000111.2T262 M297 T298T262-N284 WeakPolarHBondContact O-CA 3.38Å; N284-M297 VanDerWaalsContact O-CA 3.32Å; N284-M297 WeakPolarHBondContact O-CA 3.47Å; N284-T298 VanDerWaalsContact CG-OG1 3.25Å; N284-T298 WeakPolarHBondContact ND2-CB 3.43Å; N284-T298 PolarHBondContact ND2-OG1 2.89Å; N284-T298 PolarHBondContact O-N 2.92Å; N284-T298 VanDerWaalsContact O-N 3.09Å; N284-T298 WeakPolarHBondContact OD1-CB 3.43Å; N284-T298 PolarHBondContact OD1-N 2.84Å; N284-T298 VanDerWaalsContact OD1-N 3.11Å; N284-T298 PolarHBondContact OD1-OG1 2.91Å
285I91Very high93.3Very high0 Ų031.5 Ų31.50%017%0.166CC..EExtended strand (participates in β ladder)trans-142.3143.2165.2-168156.7000110.1T262 F270 F271 L282 F295 V296 M297 A338 A342T262-I285 PolarHBondContact N-O 3.38Å; T262-I285 PolarHBondContact O-N 2.93Å; T262-I285 PolarHBondContact OG1-O 2.86Å; F270-I285 HydrophobicContact CE1-CG2 3.97Å; F270-I285 HydrophobicContact CZ-CG2 4.31Å; F271-I285 HydrophobicContact CE1-CG2 4.11Å; F271-I285 HydrophobicContact CZ-CG2 3.99Å; L282-I285 HydrophobicContact CD1-CB 4.24Å; L282-I285 HydrophobicContact CD1-CD1 4.05Å; I285-F295 HydrophobicContact CD1-CD1 4.33Å; I285-F295 HydrophobicContact CG1-CD1 4.5Å; I285-V296 CarbonylContact C-O 3.55Å; I285-V296 WeakPolarHBondContact CA-O 3.47Å; I285-M297 HydrophobicContact CB-CB 4.32Å; I285-M297 HydrophobicContact CD1-CB 4.25Å; I285-M297 HydrophobicContact CD1-CE 3.96Å; I285-M297 HydrophobicContact CG1-CB 4.09Å; I285-A338 HydrophobicContact CD1-CB 4.46Å; I285-A342 HydrophobicContact CD1-CB 3.86Å
286V90.8Very high93.2Very high2 Ų224.9 Ų24.91%0.01214%0.142CC..EExtended strand (participates in β ladder)trans-127.5140.1176.4-177.50000107.1I259 Y288 F295 V296I259-V286 CarbonylContact O-C 3.55Å; I259-V286 VanDerWaalsContact O-CA 3.3Å; I259-V286 WeakPolarHBondContact O-CA 3.47Å; I259-V286 WeakPolarHBondContact O-CG1 3.21Å; V286-Y288 HydrophobicContact CG1-CD1 4.35Å; V286-Y288 HydrophobicContact CG1-CD2 3.99Å; V286-Y288 HydrophobicContact CG1-CE1 3.88Å; V286-Y288 HydrophobicContact CG1-CE2 3.47Å; V286-Y288 VanDerWaalsContact CG1-CE2 3.47Å; V286-Y288 HydrophobicContact CG1-CG 4.38Å; V286-F295 VanDerWaalsContact O-CA 3.31Å; V286-F295 WeakPolarHBondContact O-CA 3.44Å; V286-V296 HydrophobicContact CB-CG1 3.63Å; V286-V296 HydrophobicContact CG1-CG1 4.27Å; V286-V296 HydrophobicContact CG2-CG1 3.85Å; V286-V296 PolarHBondContact N-O 3.1Å; V286-V296 PolarHBondContact O-N 3.49Å; V286-V296 VanDerWaalsContact O-N 3.1Å
287Y93.2Very high93.1Very high0 Ų017.6 Ų17.60%011%0.108CC..EExtended strand (participates in β ladder)trans-132.9123.8171.8165.6-130.3000109.3V256 P257 E258 I259 K289 H293 Y294 F295 C343V256-Y287 HydrophobicContact CG1-CE1 3.91Å; P257-Y287 WeakPolarHBondContact O-CD1 3.43Å; P257-Y287 WeakPolarHBondContact O-CE1 3.3Å; E258-Y287 WeakPolarHBondContact CB-O 3.39Å; I259-Y287 HydrophobicContact CG1-CD1 4.39Å; I259-Y287 PolarHBondContact N-O 3.06Å; I259-Y287 PolarHBondContact O-N 2.96Å; Y287-K289 HydrophobicContact CE2-CB 4.49Å; Y287-H293 HydrophobicContact CE2-CB 3.92Å; Y287-H293 AromaticContact CE2-ND1 3.94Å; Y287-H293 PolarHBondContact OH-ND1 2.77Å; Y287-Y294 WeakPolarHBondContact CA-O 3.42Å; Y287-F295 HydrophobicContact CD1-CZ 4.48Å; Y287-F295 HydrophobicContact CD2-CD1 4.3Å; Y287-F295 HydrophobicContact CD2-CD2 4.15Å; Y287-F295 AromaticContact CD2-CE1 3.8Å; Y287-F295 HydrophobicContact CD2-CE1 3.8Å; Y287-F295 AromaticContact CD2-CE2 3.62Å; Y287-F295 HydrophobicContact CD2-CE2 3.62Å; Y287-F295 HydrophobicContact CD2-CG 4.47Å; Y287-F295 AromaticContact CD2-CZ 3.42Å; Y287-F295 HydrophobicContact CD2-CZ 3.42Å; Y287-F295 VanDerWaalsContact CD2-CZ 3.42Å; Y287-F295 AromaticContact CE2-CE2 3.98Å; Y287-F295 HydrophobicContact CE2-CE2 3.98Å; Y287-F295 AromaticContact CE2-CZ 3.93Å; Y287-F295 HydrophobicContact CE2-CZ 3.93Å; Y287-F295 HydrophobicContact CG-CD1 4.36Å; Y287-F295 AromaticContact CG-CE1 3.75Å; Y287-F295 HydrophobicContact CG-CE1 3.75Å; Y287-F295 HydrophobicContact CG-CE2 4.39Å; Y287-F295 AromaticContact CG-CZ 3.76Å; Y287-F295 HydrophobicContact CG-CZ 3.76Å; Y287-C343 VanDerWaalsContact CD1-SG 3.56Å
288Y92.5Very high93Very high20 Ų2014.2 Ų14.28%0.0788%0.08CC..EExtended strand (participates in β ladder)trans-121.1140.9171.9-61.5-48000110.3V122 H124 H152 V286 Y294V122-Y288 HydrophobicContact CB-CD2 4.19Å; V122-Y288 HydrophobicContact CG1-CD2 3.73Å; V122-Y288 HydrophobicContact CG1-CG 4.14Å; H124-Y288 HydrophobicContact CB-CE2 4.36Å; H152-Y288 HydrophobicContact CB-CD2 4.4Å; H152-Y288 HydrophobicContact CB-CG 4.37Å; H152-Y288 AromaticContact CD2-CD1 3.53Å; H152-Y288 AromaticContact CD2-CG 3.82Å; H152-Y288 AromaticContact CG-CG 3.96Å; V286-Y288 HydrophobicContact CG1-CD1 4.35Å; V286-Y288 HydrophobicContact CG1-CD2 3.99Å; V286-Y288 HydrophobicContact CG1-CE1 3.88Å; V286-Y288 HydrophobicContact CG1-CE2 3.47Å; V286-Y288 VanDerWaalsContact CG1-CE2 3.47Å; V286-Y288 HydrophobicContact CG1-CG 4.38Å; Y288-Y294 AromaticContact CD2-CD1 3.76Å; Y288-Y294 HydrophobicContact CD2-CD1 3.76Å; Y288-Y294 AromaticContact CD2-CE1 3.99Å; Y288-Y294 HydrophobicContact CD2-CE1 3.99Å; Y288-Y294 HydrophobicContact CE2-CE1 4.47Å; Y288-Y294 HydrophobicContact CG-CD1 4.45Å; Y288-Y294 PolarHBondContact N-O 3.19Å; Y288-Y294 PolarHBondContact O-N 2.58Å
289K92.2Very high93Very high24 Ų2413 Ų1310%0.1047%0.073CC..EExtended strand (participates in β ladder)trans-104.989.2-179.6-169.1-168.4-43-172.50109.7E253 E254 V256 E258 Y287E253-K289 WeakPolarHBondContact O-CE 3.25Å; E253-K289 PolarHBondContact O-NZ 2.99Å; E254-K289 PolarHBondContact O-NZ 2.97Å; E254-K289 WeakPolarHBondContact OE2-CD 3.49Å; V256-K289 VanDerWaalsContact O-CE 3.28Å; V256-K289 WeakPolarHBondContact O-CE 3.45Å; V256-K289 PolarHBondContact O-NZ 2.82Å; E258-K289 HydrophobicContact CG-CB 4.17Å; E258-K289 WeakPolarHBondContact OE1-CA 3.48Å; E258-K289 VanDerWaalsContact OE1-CB 3.27Å; E258-K289 WeakPolarHBondContact OE1-CB 3.36Å; E258-K289 PolarHBondContact OE1-N 2.88Å; Y287-K289 HydrophobicContact CE2-CB 4.49Å
290D91.7Very high92.9Very high15 Ų1514.4 Ų14.48%0.087%0.068CC..SBendtrans-109.9-148.2-176.9-152.5-82.1000109.5V122 H152 I153 S154 N247 T292V122-D290 HydrophobicContact CG1-CB 4.34Å; V122-D290 HydrophobicContact CG2-CB 3.52Å; H152-D290 IonicContact CE1-OD2 3.81Å; H152-D290 IonicContact ND1-OD2 3.8Å; H152-D290 PolarHBondContact ND1-OD2 3.18Å; I153-D290 VanDerWaalsContact CA-OD2 3.3Å; I153-D290 WeakPolarHBondContact CA-OD2 3.41Å; S154-D290 PolarHBondContact N-OD1 3.35Å; S154-D290 PolarHBondContact N-OD2 3.43Å; N247-D290 PolarHBondContact ND2-O 2.87Å; D290-T292 CarbonylContact C-O 3.56Å; D290-T292 PolarHBondContact N-O 2.87Å; D290-T292 PolarHBondContact O-N 3.02Å; D290-T292 VanDerWaalsContact O-N 3.16Å
291E90.8Very high92.8Very high57 Ų5717.1 Ų17.127%0.2668%0.08SC..SBendtrans-59.9-15.9166-59.7-66.1143.700112.7Y142 K144 Q157Y142-E291 PolarHBondContact OH-OE1 2.87Å; K144-E291 WeakPolarHBondContact CD-OE1 3.37Å; K144-E291 WeakPolarHBondContact CE-OE1 3.32Å; K144-E291 VanDerWaalsContact NZ-CD 3.26Å; K144-E291 IonicContact NZ-OE1 2.71Å; K144-E291 PolarHBondContact NZ-OE1 3.3Å; K144-E291 IonicContact NZ-OE2 3.57Å; K144-E291 PolarHBondContact NZ-OE2 2.97Å; Q157-E291 HydrophobicContact CG-CG 4.3Å
292T95Very high92.9Very high13 Ų1321.5 Ų21.58%0.0810%0.1CC..EExtended strand (participates in β ladder)trans-131.9156.7168.648.10000110.1N244 F245 D290 Y294 A353N244-T292 HydrophobicContact CB-CG2 4.16Å; N244-T292 PolarHBondContact OD1-OG1 3.49Å; N244-T292 VanDerWaalsContact OD1-OG1 3.06Å; F245-T292 WeakPolarHBondContact O-CA 3.22Å; F245-T292 VanDerWaalsContact O-CB 3.3Å; F245-T292 WeakPolarHBondContact O-CB 3.46Å; D290-T292 CarbonylContact C-O 3.56Å; D290-T292 PolarHBondContact N-O 2.87Å; D290-T292 PolarHBondContact O-N 3.02Å; D290-T292 VanDerWaalsContact O-N 3.16Å; T292-Y294 PolarHBondContact O-N 2.99Å; T292-Y294 VanDerWaalsContact O-N 3.15Å; T292-A353 HydrophobicContact CG2-CB 3.8Å
293H96.5Very high93Very high0 Ų021.7 Ų21.70%010%0.101CC..EExtended strand (participates in β ladder)trans-75.698.9163.9-61.7-52.2000107.4F245 V246 N247 E253 Y287 F295F245-H293 HydrophobicContact CB-CB 4.19Å; F245-H293 PolarHBondContact N-O 3.46Å; F245-H293 PolarHBondContact O-N 2.87Å; V246-H293 PolarHBondContact O-CD2 3.01Å; N247-H293 PolarHBondContact OD1-CE1 3.29Å; N247-H293 PolarHBondContact OD1-NE2 3.48Å; E253-H293 IonicContact OE1-CD2 3.9Å; E253-H293 IonicContact OE1-CE1 2.76Å; E253-H293 IonicContact OE1-NE2 3.76Å; E253-H293 PolarHBondContact OE1-NE2 3.06Å; Y287-H293 HydrophobicContact CE2-CB 3.92Å; Y287-H293 AromaticContact CE2-ND1 3.94Å; Y287-H293 PolarHBondContact OH-ND1 2.77Å; H293-F295 HydrophobicContact CB-CE2 4.15Å
294Y96.3Very high93.4Very high7 Ų718.7 Ų18.73%0.0279%0.087CC..EExtended strand (participates in β ladder)trans-95.7128.2-174.9167.3-101.5000110.9N121 V122 T242 N244 Y287 Y288 T292 V296N121-Y294 HydrophobicContact CB-CD2 4.3Å; N121-Y294 HydrophobicContact CB-CE2 3.7Å; V122-Y294 HydrophobicContact CB-CD1 3.62Å; V122-Y294 HydrophobicContact CB-CD2 4.46Å; V122-Y294 HydrophobicContact CB-CE1 4.11Å; V122-Y294 HydrophobicContact CB-CG 3.76Å; V122-Y294 HydrophobicContact CG2-CD1 4.19Å; V122-Y294 HydrophobicContact CG2-CG 3.84Å; T242-Y294 HydrophobicContact CG2-CE2 4.28Å; N244-Y294 WeakPolarHBondContact OD1-CD2 3.49Å; Y287-Y294 WeakPolarHBondContact CA-O 3.42Å; Y288-Y294 AromaticContact CD2-CD1 3.76Å; Y288-Y294 HydrophobicContact CD2-CD1 3.76Å; Y288-Y294 AromaticContact CD2-CE1 3.99Å; Y288-Y294 HydrophobicContact CD2-CE1 3.99Å; Y288-Y294 HydrophobicContact CE2-CE1 4.47Å; Y288-Y294 HydrophobicContact CG-CD1 4.45Å; Y288-Y294 PolarHBondContact N-O 3.19Å; Y288-Y294 PolarHBondContact O-N 2.58Å; T292-Y294 PolarHBondContact O-N 2.99Å; T292-Y294 VanDerWaalsContact O-N 3.15Å; Y294-V296 HydrophobicContact CE1-CB 4.17Å; Y294-V296 HydrophobicContact CE1-CG1 3.75Å; Y294-V296 WeakPolarHBondContact OH-CB 3.43Å; Y294-V296 WeakPolarHBondContact OH-CG1 3.39Å
295F95.4Very high93.8Very high0 Ų019.8 Ų19.80%09%0.093CC..EExtended strand (participates in β ladder)trans-118.5139.2172.3-66.5-100.4000110.4T242 A243 F245 I285 V286 Y287 H293 M297 A339 L347T242-F295 CarbonylContact C-O 3.59Å; T242-F295 VanDerWaalsContact CA-O 3.28Å; T242-F295 WeakPolarHBondContact CA-O 3.43Å; A243-F295 PolarHBondContact N-O 3.38Å; A243-F295 PolarHBondContact O-N 3.24Å; F245-F295 AromaticContact CD2-CD2 3.69Å; F245-F295 HydrophobicContact CD2-CD2 3.69Å; F245-F295 AromaticContact CD2-CE2 3.77Å; F245-F295 HydrophobicContact CD2-CE2 3.77Å; F245-F295 AromaticContact CE2-CD2 3.59Å; F245-F295 HydrophobicContact CE2-CD2 3.59Å; F245-F295 AromaticContact CE2-CE2 3.91Å; F245-F295 HydrophobicContact CE2-CE2 3.91Å; F245-F295 HydrophobicContact CE2-CG 4.42Å; I285-F295 HydrophobicContact CD1-CD1 4.33Å; I285-F295 HydrophobicContact CG1-CD1 4.5Å; V286-F295 VanDerWaalsContact O-CA 3.31Å; V286-F295 WeakPolarHBondContact O-CA 3.44Å; Y287-F295 HydrophobicContact CD1-CZ 4.48Å; Y287-F295 HydrophobicContact CD2-CD1 4.3Å; Y287-F295 HydrophobicContact CD2-CD2 4.15Å; Y287-F295 AromaticContact CD2-CE1 3.8Å; Y287-F295 HydrophobicContact CD2-CE1 3.8Å; Y287-F295 AromaticContact CD2-CE2 3.62Å; Y287-F295 HydrophobicContact CD2-CE2 3.62Å; Y287-F295 HydrophobicContact CD2-CG 4.47Å; Y287-F295 AromaticContact CD2-CZ 3.42Å; Y287-F295 HydrophobicContact CD2-CZ 3.42Å; Y287-F295 VanDerWaalsContact CD2-CZ 3.42Å; Y287-F295 AromaticContact CE2-CE2 3.98Å; Y287-F295 HydrophobicContact CE2-CE2 3.98Å; Y287-F295 AromaticContact CE2-CZ 3.93Å; Y287-F295 HydrophobicContact CE2-CZ 3.93Å; Y287-F295 HydrophobicContact CG-CD1 4.36Å; Y287-F295 AromaticContact CG-CE1 3.75Å; Y287-F295 HydrophobicContact CG-CE1 3.75Å; Y287-F295 HydrophobicContact CG-CE2 4.39Å; Y287-F295 AromaticContact CG-CZ 3.76Å; Y287-F295 HydrophobicContact CG-CZ 3.76Å; H293-F295 HydrophobicContact CB-CE2 4.15Å; F295-M297 HydrophobicContact CB-CE 4.27Å; F295-A339 HydrophobicContact CD1-CB 3.86Å; F295-A339 HydrophobicContact CD2-CB 3.97Å; F295-A339 HydrophobicContact CE1-CB 3.67Å; F295-A339 HydrophobicContact CE2-CB 3.81Å; F295-A339 HydrophobicContact CG-CB 4Å; F295-A339 HydrophobicContact CZ-CB 3.65Å; F295-L347 HydrophobicContact CE2-CD1 4.3Å; F295-L347 HydrophobicContact CZ-CD1 3.96Å
296V93.3Very high94.1Very high4 Ų425.2 Ų25.22%0.02412%0.122CC..EExtended strand (participates in β ladder)trans-130.6132.8160.955.90000109.9I241 T242 I285 V286 Y294I241-V296 WeakPolarHBondContact O-CA 3.28Å; T242-V296 HydrophobicContact CG2-CB 4.02Å; T242-V296 HydrophobicContact CG2-CG2 3.85Å; I285-V296 CarbonylContact C-O 3.55Å; I285-V296 WeakPolarHBondContact CA-O 3.47Å; V286-V296 HydrophobicContact CB-CG1 3.63Å; V286-V296 HydrophobicContact CG1-CG1 4.27Å; V286-V296 HydrophobicContact CG2-CG1 3.85Å; V286-V296 PolarHBondContact N-O 3.1Å; V286-V296 PolarHBondContact O-N 3.49Å; V286-V296 VanDerWaalsContact O-N 3.1Å; Y294-V296 HydrophobicContact CE1-CB 4.17Å; Y294-V296 HydrophobicContact CE1-CG1 3.75Å; Y294-V296 WeakPolarHBondContact OH-CB 3.43Å; Y294-V296 WeakPolarHBondContact OH-CG1 3.39Å
297M92.7Very high94.4Very high0 Ų028 Ų280%013%0.134CC..EExtended strand (participates in β ladder)trans-137.8145.5-177.160.8-169.377.100110.4A240 I241 L282 N284 I285 F295 Y334 A335 A338A240-M297 CarbonylContact C-O 3.6Å; A240-M297 VanDerWaalsContact CA-O 3.31Å; A240-M297 WeakPolarHBondContact CA-O 3.31Å; I241-M297 HydrophobicContact CB-CG 3.8Å; I241-M297 HydrophobicContact CB-SD 4.39Å; I241-M297 PolarHBondContact N-O 3.1Å; I241-M297 PolarHBondContact O-N 3.12Å; L282-M297 HydrophobicContact CD1-CB 3.98Å; L282-M297 HydrophobicContact CD1-SD 4.27Å; L282-M297 HydrophobicContact CD2-CB 4.29Å; L282-M297 HydrophobicContact CD2-CG 4.37Å; L282-M297 HydrophobicContact CD2-SD 4.28Å; N284-M297 VanDerWaalsContact O-CA 3.32Å; N284-M297 WeakPolarHBondContact O-CA 3.47Å; I285-M297 HydrophobicContact CB-CB 4.32Å; I285-M297 HydrophobicContact CD1-CB 4.25Å; I285-M297 HydrophobicContact CD1-CE 3.96Å; I285-M297 HydrophobicContact CG1-CB 4.09Å; F295-M297 HydrophobicContact CB-CE 4.27Å; M297-Y334 HydrophobicContact SD-CE1 4.35Å; M297-A335 HydrophobicContact CE-CB 4.48Å; M297-A338 HydrophobicContact CE-CB 3.82Å; M297-A338 HydrophobicContact SD-CB 3.74Å
298T92.1Very high94.5Very high1 Ų129.3 Ų29.31%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-104.4110.8172.8-53.40000108.6A238 I239 L282 E283 N284A238-T298 HydrophobicContact CB-CG2 4.27Å; I239-T298 CarbonylContact O-C 3.5Å; I239-T298 WeakPolarHBondContact O-CA 3.39Å; L282-T298 CarbonylContact C-O 3.57Å; L282-T298 WeakPolarHBondContact CA-O 3.28Å; E283-T298 HydrophobicContact CB-CG2 4.36Å; E283-T298 PolarHBondContact N-O 3.41Å; N284-T298 VanDerWaalsContact CG-OG1 3.25Å; N284-T298 WeakPolarHBondContact ND2-CB 3.43Å; N284-T298 PolarHBondContact ND2-OG1 2.89Å; N284-T298 PolarHBondContact O-N 2.92Å; N284-T298 VanDerWaalsContact O-N 3.09Å; N284-T298 WeakPolarHBondContact OD1-CB 3.43Å; N284-T298 PolarHBondContact OD1-N 2.84Å; N284-T298 VanDerWaalsContact OD1-N 3.11Å; N284-T298 PolarHBondContact OD1-OG1 2.91Å
299A93.8Very high94.8Very high3 Ų328.3 Ų28.33%0.02514%0.144CC..EExtended strand (participates in β ladder)trans-97.6144.1-175.700000111.6I239 I241 L282 L304 Y334I239-A299 PolarHBondContact O-N 3.08Å; I241-A299 HydrophobicContact CD1-CB 4.17Å; L282-A299 HydrophobicContact CD2-CB 3.78Å; A299-L304 HydrophobicContact CB-CD1 3.97Å; A299-L304 HydrophobicContact CB-CD2 3.85Å; A299-L304 HydrophobicContact CB-CG 3.95Å; A299-Y334 HydrophobicContact CB-CE1 4.16Å; A299-Y334 WeakPolarHBondContact CB-OH 3.12Å
300K93.1Very high95Very high65 Ų6527.3 Ų27.328%0.28314%0.139SC..  trans-79.1137.5173.8-66.2177-171.1148.80110.3D281 E283 Q302 S303 L304D281-K300 HydrophobicContact CB-CD 4.33Å; D281-K300 PolarHBondContact O-N 2.86Å; D281-K300 VanDerWaalsContact O-N 3.1Å; D281-K300 IonicContact OD1-NZ 3.21Å; D281-K300 PolarHBondContact OD1-NZ 2.78Å; D281-K300 WeakPolarHBondContact OD2-CD 3.45Å; D281-K300 IonicContact OD2-NZ 3.07Å; D281-K300 PolarHBondContact OD2-NZ 2.93Å; E283-K300 HydrophobicContact CG-CG 4.12Å; K300-Q302 PolarHBondContact O-N 3.43Å; K300-Q302 VanDerWaalsContact O-N 3.1Å; K300-S303 PolarHBondContact O-N 2.86Å; K300-L304 PolarHBondContact O-N 2.68Å
301K94.6Very high95.2Very high58 Ų5832 Ų3225%0.25216%0.164SC..Hα-helixtrans-46.9-44.5179.3-170-172.371166.10113.2L237 I239 S303 L304 L305 D313 L320L237-K301 HydrophobicContact CD2-CB 3.77Å; L237-K301 HydrophobicContact CD2-CD 3.68Å; L237-K301 HydrophobicContact CD2-CG 4.08Å; I239-K301 HydrophobicContact CD1-CB 4.19Å; I239-K301 HydrophobicContact CD1-CG 4.38Å; K301-S303 PolarHBondContact O-N 3.05Å; K301-L304 PolarHBondContact O-N 3.47Å; K301-L305 HydrophobicContact CD-CD1 4.33Å; K301-L305 HydrophobicContact CG-CD1 4.02Å; K301-L305 WeakPolarHBondContact O-CG 3.48Å; K301-L305 PolarHBondContact O-N 2.98Å; K301-D313 WeakPolarHBondContact CD-OD1 3.44Å; K301-D313 VanDerWaalsContact CE-OD1 3.3Å; K301-D313 WeakPolarHBondContact CE-OD1 3.28Å; K301-D313 WeakPolarHBondContact CE-OD2 3.48Å; K301-D313 IonicContact NZ-OD1 2.94Å; K301-D313 PolarHBondContact NZ-OD1 3Å; K301-D313 IonicContact NZ-OD2 3.9Å; K301-D313 PolarHBondContact NZ-OD2 3.37Å; K301-L320 HydrophobicContact CD-CD1 4.14Å; K301-L320 HydrophobicContact CD-CD2 3.85Å; K301-L320 HydrophobicContact CG-CD1 4.48Å; K301-L320 HydrophobicContact CG-CD2 4.16Å
302Q95Very high95.4Very high109 Ų10935 Ų3551%0.50918%0.176SC..Hα-helixtrans-61.6-43.9-178.2-167.361.14800112.2K300 L304 L305 D306K300-Q302 PolarHBondContact O-N 3.43Å; K300-Q302 VanDerWaalsContact O-N 3.1Å; Q302-L304 VanDerWaalsContact C-N 3.28Å; Q302-L304 PolarHBondContact O-N 3.13Å; Q302-L305 WeakPolarHBondContact O-CB 3.41Å; Q302-L305 PolarHBondContact O-N 2.83Å; Q302-L305 VanDerWaalsContact O-N 3.14Å; Q302-D306 PolarHBondContact NE2-OD1 3.16Å; Q302-D306 WeakPolarHBondContact O-CB 3.38Å; Q302-D306 PolarHBondContact O-N 2.96Å
303S96.4Very high95.5Very high4 Ų438.1 Ų38.13%0.02819%0.192CC..Hα-helixtrans-64.5-33.5178.4-177.30000112.5G279 I280 D281 K300 K301 K307 Y334G279-S303 PolarHBondContact O-OG 3.16Å; G279-S303 VanDerWaalsContact O-OG 3.08Å; I280-S303 WeakPolarHBondContact CA-OG 3.49Å; D281-S303 PolarHBondContact N-OG 3.2Å; K300-S303 PolarHBondContact O-N 2.86Å; K301-S303 PolarHBondContact O-N 3.05Å; S303-K307 VanDerWaalsContact O-CB 3.31Å; S303-K307 WeakPolarHBondContact O-CB 3.2Å; S303-K307 VanDerWaalsContact O-CG 3.32Å; S303-K307 WeakPolarHBondContact O-CG 3.29Å; S303-K307 PolarHBondContact O-N 2.85Å; S303-Y334 PolarHBondContact OG-OH 3.42Å
304L97.2Very high95.3Very high0 Ų040.4 Ų40.40%020%0.202CC..Hα-helixtrans-70.6-33.3174.9-61.2172.4000112.8I239 I241 A299 K300 K301 Q302 G308 V309 I310 Y334 M364I239-L304 HydrophobicContact CB-CD1 4.13Å; I239-L304 HydrophobicContact CD1-CD1 3.85Å; I239-L304 HydrophobicContact CG2-CD1 3.76Å; I241-L304 HydrophobicContact CD1-CD2 3.82Å; A299-L304 HydrophobicContact CB-CD1 3.97Å; A299-L304 HydrophobicContact CB-CD2 3.85Å; A299-L304 HydrophobicContact CB-CG 3.95Å; K300-L304 PolarHBondContact O-N 2.68Å; K301-L304 PolarHBondContact O-N 3.47Å; Q302-L304 VanDerWaalsContact C-N 3.28Å; Q302-L304 PolarHBondContact O-N 3.13Å; L304-G308 PolarHBondContact O-N 2.72Å; L304-V309 HydrophobicContact CB-CB 4.23Å; L304-V309 HydrophobicContact CD2-CB 4.12Å; L304-V309 HydrophobicContact CD2-CG1 4.06Å; L304-V309 HydrophobicContact CD2-CG2 4.28Å; L304-V309 WeakPolarHBondContact O-CA 3.18Å; L304-V309 WeakPolarHBondContact O-CB 3.34Å; L304-V309 PolarHBondContact O-N 2.93Å; L304-I310 HydrophobicContact CB-CD1 3.72Å; L304-I310 HydrophobicContact CB-CG1 3.93Å; L304-I310 HydrophobicContact CD1-CD1 3.89Å; L304-I310 HydrophobicContact CG-CD1 4.48Å; L304-I310 PolarHBondContact O-N 3.28Å; L304-Y334 HydrophobicContact CD2-CD1 4.39Å; L304-Y334 HydrophobicContact CD2-CD2 4.25Å; L304-Y334 HydrophobicContact CD2-CE1 3.95Å; L304-Y334 HydrophobicContact CD2-CE2 3.79Å; L304-M364 HydrophobicContact CD1-CE 3.82Å
305L96.6Very high95Very high34 Ų3449.5 Ų49.518%0.17825%0.245CC..Hα-helixtrans-71.1-48.5171.5-70.4162.4000110.8K301 Q302 K307 G308 I310 D313K301-L305 HydrophobicContact CD-CD1 4.33Å; K301-L305 HydrophobicContact CG-CD1 4.02Å; K301-L305 WeakPolarHBondContact O-CG 3.48Å; K301-L305 PolarHBondContact O-N 2.98Å; Q302-L305 WeakPolarHBondContact O-CB 3.41Å; Q302-L305 PolarHBondContact O-N 2.83Å; Q302-L305 VanDerWaalsContact O-N 3.14Å; L305-K307 VanDerWaalsContact C-N 3.31Å; L305-K307 PolarHBondContact O-N 3.29Å; L305-G308 PolarHBondContact O-N 2.9Å; L305-I310 HydrophobicContact CD2-CB 3.9Å; L305-I310 HydrophobicContact CD2-CG2 3.55Å; L305-I310 HydrophobicContact CG-CB 4.32Å; L305-I310 HydrophobicContact CG-CG2 4.32Å; L305-D313 HydrophobicContact CD1-CB 3.91Å; L305-D313 HydrophobicContact CD2-CB 4.01Å
306D96.9Very high94.6Very high113 Ų11353 Ų5360%0.60426%0.264SS*.Hα-helixtrans-61-37.3-178.5-63.2-17.5000112.1Q302 G308Q302-D306 PolarHBondContact NE2-OD1 3.16Å; Q302-D306 WeakPolarHBondContact O-CB 3.38Å; Q302-D306 PolarHBondContact O-N 2.96Å; D306-G308 VanDerWaalsContact C-N 3.3Å
307K96.7Very high94.3Very high60 Ų6053.4 Ų53.426%0.26127%0.265SS..THydrogen-bonded Turntrans-84.53.5175.3-65.7-81.8-74.8-168.70113.6T278 S303 L305 V309 Y334 E337T278-K307 PolarHBondContact O-NZ 3.39Å; S303-K307 VanDerWaalsContact O-CB 3.31Å; S303-K307 WeakPolarHBondContact O-CB 3.2Å; S303-K307 VanDerWaalsContact O-CG 3.32Å; S303-K307 WeakPolarHBondContact O-CG 3.29Å; S303-K307 PolarHBondContact O-N 2.85Å; L305-K307 VanDerWaalsContact C-N 3.31Å; L305-K307 PolarHBondContact O-N 3.29Å; K307-V309 HydrophobicContact CB-CG2 4.27Å; K307-V309 PolarHBondContact O-N 3.25Å; K307-Y334 HydrophobicContact CB-CD2 3.76Å; K307-Y334 HydrophobicContact CB-CE2 4.14Å; K307-Y334 HydrophobicContact CG-CD2 3.81Å; K307-Y334 HydrophobicContact CG-CE2 3.92Å; K307-E337 IonicContact NZ-OE1 3.74Å; K307-E337 IonicContact NZ-OE2 3.2Å; K307-E337 PolarHBondContact NZ-OE2 3.23Å
308G96.5Very high94Very high28 Ų2857.6 Ų57.629%0.28930%0.295SS..THydrogen-bonded Turntrans6425.1179.200000114.6L304 L305 D306 T330L304-G308 PolarHBondContact O-N 2.72Å; L305-G308 PolarHBondContact O-N 2.9Å; D306-G308 VanDerWaalsContact C-N 3.3Å; G308-T330 PolarHBondContact O-OG1 3.46Å
309V97.3Very high94Very high0 Ų061.9 Ų61.90%032%0.316CS..SBendtrans-74.8-45172177.40000109.7L304 K307 V326 C327 T330 L331 Y334 M364L304-V309 HydrophobicContact CB-CB 4.23Å; L304-V309 HydrophobicContact CD2-CB 4.12Å; L304-V309 HydrophobicContact CD2-CG1 4.06Å; L304-V309 HydrophobicContact CD2-CG2 4.28Å; L304-V309 WeakPolarHBondContact O-CA 3.18Å; L304-V309 WeakPolarHBondContact O-CB 3.34Å; L304-V309 PolarHBondContact O-N 2.93Å; K307-V309 HydrophobicContact CB-CG2 4.27Å; K307-V309 PolarHBondContact O-N 3.25Å; V309-V326 WeakPolarHBondContact O-CA 3.48Å; V309-C327 PolarHBondContact O-N 3.18Å; V309-T330 WeakPolarHBondContact CA-OG1 3.29Å; V309-L331 HydrophobicContact CG1-CB 3.91Å; V309-L331 HydrophobicContact CG1-CD1 3.78Å; V309-L331 HydrophobicContact CG1-CG 4.38Å; V309-Y334 HydrophobicContact CG2-CD2 3.78Å; V309-Y334 HydrophobicContact CG2-CG 4.02Å; V309-M364 HydrophobicContact CG1-CE 4.34Å; V309-M364 HydrophobicContact CG1-SD 4.15Å
310I97Very high94Very high3 Ų361.8 Ų61.82%0.01532%0.315CS..BIsolated β-bridgetrans-98.5124.9172-65.3176.3000107.6I239 L304 L305 K312 L320 L321 N325 M364I239-I310 HydrophobicContact CD1-CD1 4.22Å; L304-I310 HydrophobicContact CB-CD1 3.72Å; L304-I310 HydrophobicContact CB-CG1 3.93Å; L304-I310 HydrophobicContact CD1-CD1 3.89Å; L304-I310 HydrophobicContact CG-CD1 4.48Å; L304-I310 PolarHBondContact O-N 3.28Å; L305-I310 HydrophobicContact CD2-CB 3.9Å; L305-I310 HydrophobicContact CD2-CG2 3.55Å; L305-I310 HydrophobicContact CG-CB 4.32Å; L305-I310 HydrophobicContact CG-CG2 4.32Å; I310-K312 WeakPolarHBondContact CG2-O 3.38Å; I310-L320 HydrophobicContact CD1-CD1 4.21Å; I310-L320 HydrophobicContact CD1-CG 4.19Å; I310-L320 HydrophobicContact CG2-CD1 3.79Å; I310-L321 HydrophobicContact CD1-CD2 4.43Å; I310-N325 WeakPolarHBondContact CG2-ND2 3.26Å; I310-M364 HydrophobicContact CG1-CE 4.48Å
311L96.4Very high94Very high112 Ų11260.4 Ų60.459%0.58631%0.31SS*.SBendtrans-78.8-36.6-173.9-64.6178000113.1N325 C327L311-N325 PolarHBondContact N-O 2.92Å; L311-C327 HydrophobicContact CD2-CB 4.02Å; L311-C327 HydrophobicContact CG-CB 4.44Å
312K95.6Very high93.9Very high122 Ų12258.8 Ų58.853%0.5331%0.307SS..SBendtrans-139.9138.5179-179.4172.2171.8-175.90111I310 F314 N325I310-K312 WeakPolarHBondContact CG2-O 3.38Å; K312-F314 HydrophobicContact CB-CD2 4.35Å; K312-F314 HydrophobicContact CB-CE2 3.93Å; K312-F314 HydrophobicContact CB-CZ 4.4Å; K312-F314 HydrophobicContact CD-CE1 4.01Å; K312-F314 HydrophobicContact CD-CE2 4.05Å; K312-F314 HydrophobicContact CD-CZ 3.66Å; K312-F314 HydrophobicContact CG-CD2 4.37Å; K312-F314 HydrophobicContact CG-CE2 4.06Å; K312-F314 HydrophobicContact CG-CZ 4.16Å; K312-F314 PolarHBondContact O-N 3.12Å; K312-N325 WeakPolarHBondContact CB-OD1 3.25Å; K312-N325 PolarHBondContact N-OD1 3.13Å; K312-N325 PolarHBondContact O-ND2 2.84Å; K312-N325 PolarHBondContact O-OD1 3.37Å
313D96Very high93.8Very high77 Ų7758.8 Ų58.841%0.41232%0.316SS..  trans-76.3113.2173.1-1656.8000110.5K301 L305K301-D313 WeakPolarHBondContact CD-OD1 3.44Å; K301-D313 VanDerWaalsContact CE-OD1 3.3Å; K301-D313 WeakPolarHBondContact CE-OD1 3.28Å; K301-D313 WeakPolarHBondContact CE-OD2 3.48Å; K301-D313 IonicContact NZ-OD1 2.94Å; K301-D313 PolarHBondContact NZ-OD1 3Å; K301-D313 IonicContact NZ-OD2 3.9Å; K301-D313 PolarHBondContact NZ-OD2 3.37Å; L305-D313 HydrophobicContact CD1-CB 3.91Å; L305-D313 HydrophobicContact CD2-CB 4.01Å
314F93.4Very high93.7Very high48 Ų4865.6 Ų65.621%0.21135%0.347CS..  trans-110.9141.3173.6-71.1-76.4000110K312 M319 L320 N325K312-F314 HydrophobicContact CB-CD2 4.35Å; K312-F314 HydrophobicContact CB-CE2 3.93Å; K312-F314 HydrophobicContact CB-CZ 4.4Å; K312-F314 HydrophobicContact CD-CE1 4.01Å; K312-F314 HydrophobicContact CD-CE2 4.05Å; K312-F314 HydrophobicContact CD-CZ 3.66Å; K312-F314 HydrophobicContact CG-CD2 4.37Å; K312-F314 HydrophobicContact CG-CE2 4.06Å; K312-F314 HydrophobicContact CG-CZ 4.16Å; K312-F314 PolarHBondContact O-N 3.12Å; F314-M319 HydrophobicContact CB-CB 3.93Å; F314-M319 HydrophobicContact CD1-CB 4.2Å; F314-M319 HydrophobicContact CD1-CE 3.96Å; F314-M319 HydrophobicContact CD1-SD 4.25Å; F314-M319 HydrophobicContact CD2-CB 4.03Å; F314-M319 HydrophobicContact CE1-CE 3.56Å; F314-M319 HydrophobicContact CE1-SD 4.43Å; F314-M319 HydrophobicContact CG-CB 3.82Å; F314-M319 HydrophobicContact CZ-CE 3.91Å; F314-L320 HydrophobicContact CB-CB 4.35Å; F314-N325 HydrophobicContact CE2-CB 4.36Å
315E88.8Confident93.7Very high198 Ų19866 Ų6693%0.92535%0.35SS*.SBendtrans-69.4-35.6175.1-64.4-171.3163.300112.5
316D88.1Confident93.6Very high74 Ų7465.4 Ų65.440%0.39635%0.347SS..SBendtrans-79.5129.9173.1175.442.5000111.2S318 M319 L320D316-S318 VanDerWaalsContact C-N 3.31Å; D316-S318 PolarHBondContact O-N 3.31Å; D316-S318 PolarHBondContact OD1-N 3.19Å; D316-S318 VanDerWaalsContact OD2-CB 3.31Å; D316-S318 WeakPolarHBondContact OD2-CB 3.42Å; D316-S318 PolarHBondContact OD2-N 3.01Å; D316-S318 PolarHBondContact OD2-OG 2.9Å; D316-M319 HydrophobicContact CB-CG 4.44Å; D316-M319 PolarHBondContact O-N 2.92Å; D316-M319 PolarHBondContact OD2-N 3.15Å; D316-L320 WeakPolarHBondContact O-CB 3.45Å; D316-L320 PolarHBondContact O-N 2.97Å
317I86.6Confident93.6Very high12 Ų1261.8 Ų61.86%0.06233%0.33CS..Hα-helixtrans-69.1-32.2-177.2-55-180000110.9R234 L237 M319 L320 L321 D366 T368R234-I317 VanDerWaalsContact NH2-CD1 3.26Å; L237-I317 HydrophobicContact CD1-CD1 3.76Å; L237-I317 HydrophobicContact CD1-CG1 4.02Å; L237-I317 HydrophobicContact CD1-CG2 4.46Å; I317-M319 VanDerWaalsContact C-N 3.32Å; I317-M319 PolarHBondContact O-N 3.01Å; I317-L320 PolarHBondContact O-N 3.35Å; I317-L321 HydrophobicContact CG2-CD1 3.92Å; I317-L321 HydrophobicContact CG2-CG 4.27Å; I317-L321 PolarHBondContact O-N 3.01Å; I317-D366 HydrophobicContact CG2-CB 4.19Å; I317-T368 HydrophobicContact CD1-CG2 3.7Å; I317-T368 WeakPolarHBondContact CD1-OG1 3.37Å
318S87.1Confident93.5Very high88 Ų8863.3 Ų63.362%0.61534%0.338SS*.Hα-helixtrans-67.5-35.6179.890.80000111.9D316 S322D316-S318 VanDerWaalsContact C-N 3.31Å; D316-S318 PolarHBondContact O-N 3.31Å; D316-S318 PolarHBondContact OD1-N 3.19Å; D316-S318 VanDerWaalsContact OD2-CB 3.31Å; D316-S318 WeakPolarHBondContact OD2-CB 3.42Å; D316-S318 PolarHBondContact OD2-N 3.01Å; D316-S318 PolarHBondContact OD2-OG 2.9Å; S318-S322 WeakPolarHBondContact O-CB 3.26Å; S318-S322 PolarHBondContact O-N 2.86Å
319M92.1Very high93.4Very high91 Ų9166.6 Ų66.645%0.44835%0.353SS..Hα-helixtrans-75.3-39.8169.4-63.8-169.173.700112.8F314 D316 I317 L321 S322 N325F314-M319 HydrophobicContact CB-CB 3.93Å; F314-M319 HydrophobicContact CD1-CB 4.2Å; F314-M319 HydrophobicContact CD1-CE 3.96Å; F314-M319 HydrophobicContact CD1-SD 4.25Å; F314-M319 HydrophobicContact CD2-CB 4.03Å; F314-M319 HydrophobicContact CE1-CE 3.56Å; F314-M319 HydrophobicContact CE1-SD 4.43Å; F314-M319 HydrophobicContact CG-CB 3.82Å; F314-M319 HydrophobicContact CZ-CE 3.91Å; D316-M319 HydrophobicContact CB-CG 4.44Å; D316-M319 PolarHBondContact O-N 2.92Å; D316-M319 PolarHBondContact OD2-N 3.15Å; I317-M319 VanDerWaalsContact C-N 3.32Å; I317-M319 PolarHBondContact O-N 3.01Å; M319-L321 VanDerWaalsContact C-N 3.29Å; M319-L321 PolarHBondContact O-N 2.8Å; M319-S322 PolarHBondContact O-N 3.35Å; M319-N325 WeakPolarHBondContact O-CB 3.49Å
320L93Very high93.4Very high2 Ų268.5 Ų68.51%0.0137%0.365CS..Hα-helixtrans-58.6-41.2-179.7-17571000112L237 I239 K301 I310 F314 D316 I317 N325L237-L320 HydrophobicContact CD1-CD2 4.4Å; L237-L320 HydrophobicContact CD2-CD2 4.24Å; I239-L320 HydrophobicContact CD1-CD2 4.13Å; K301-L320 HydrophobicContact CD-CD1 4.14Å; K301-L320 HydrophobicContact CD-CD2 3.85Å; K301-L320 HydrophobicContact CG-CD1 4.48Å; K301-L320 HydrophobicContact CG-CD2 4.16Å; I310-L320 HydrophobicContact CD1-CD1 4.21Å; I310-L320 HydrophobicContact CD1-CG 4.19Å; I310-L320 HydrophobicContact CG2-CD1 3.79Å; F314-L320 HydrophobicContact CB-CB 4.35Å; D316-L320 WeakPolarHBondContact O-CB 3.45Å; D316-L320 PolarHBondContact O-N 2.97Å; I317-L320 PolarHBondContact O-N 3.35Å; L320-N325 PolarHBondContact O-ND2 3.17Å
321L92.3Very high93.4Very high35 Ų3568.4 Ų68.418%0.18336%0.364CS..THydrogen-bonded Turntrans-10318-178.9-57.4-178.6000113.1I239 I310 I317 M319 M364 D366I239-L321 HydrophobicContact CD1-CD2 4.18Å; I239-L321 HydrophobicContact CG1-CD2 4.3Å; I239-L321 HydrophobicContact CG2-CD1 4.49Å; I239-L321 HydrophobicContact CG2-CD2 3.9Å; I310-L321 HydrophobicContact CD1-CD2 4.43Å; I317-L321 HydrophobicContact CG2-CD1 3.92Å; I317-L321 HydrophobicContact CG2-CG 4.27Å; I317-L321 PolarHBondContact O-N 3.01Å; M319-L321 VanDerWaalsContact C-N 3.29Å; M319-L321 PolarHBondContact O-N 2.8Å; L321-M364 HydrophobicContact CD2-CE 3.79Å; L321-D366 HydrophobicContact CD1-CB 4.04Å
322S93.1Very high93.4Very high25 Ų2565 Ų6518%0.17535%0.346CS..  trans-68.7149.517898.40000110.9S318 M319 E324 N325 V326S318-S322 WeakPolarHBondContact O-CB 3.26Å; S318-S322 PolarHBondContact O-N 2.86Å; M319-S322 PolarHBondContact O-N 3.35Å; S322-E324 WeakPolarHBondContact CB-OE2 3.38Å; S322-E324 PolarHBondContact O-N 2.76Å; S322-E324 VanDerWaalsContact O-N 3.09Å; S322-E324 PolarHBondContact OG-N 3.48Å; S322-E324 PolarHBondContact OG-OE2 3.32Å; S322-N325 PolarHBondContact O-N 3.32Å; S322-N325 PolarHBondContact OG-N 3.07Å; S322-V326 WeakPolarHBondContact O-CG2 3.32Å; S322-V326 PolarHBondContact O-N 3.08Å
323P92.5Very high93.5Very high108 Ų10862 Ų6270%0.70134%0.336SS*.THydrogen-bonded Turntrans-56.6-26.7179-25.535.3000114.1
324E94.6Very high93.6Very high148 Ų14858.4 Ų58.469%0.69232%0.316SS*.THydrogen-bonded Turntrans-79.8-21.9179.6-51.870.9-150.300112.5S322S322-E324 WeakPolarHBondContact CB-OE2 3.38Å; S322-E324 PolarHBondContact O-N 2.76Å; S322-E324 VanDerWaalsContact O-N 3.09Å; S322-E324 PolarHBondContact OG-N 3.48Å; S322-E324 PolarHBondContact OG-OE2 3.32Å
325N96.6Very high93.8Very high9 Ų956.1 Ų56.15%0.04831%0.306CS..THydrogen-bonded Turntrans-98.7-6.3179.9-163.447.9000113.4I310 L311 K312 F314 M319 L320 S322I310-N325 WeakPolarHBondContact CG2-ND2 3.26Å; L311-N325 PolarHBondContact N-O 2.92Å; K312-N325 WeakPolarHBondContact CB-OD1 3.25Å; K312-N325 PolarHBondContact N-OD1 3.13Å; K312-N325 PolarHBondContact O-ND2 2.84Å; K312-N325 PolarHBondContact O-OD1 3.37Å; F314-N325 HydrophobicContact CE2-CB 4.36Å; M319-N325 WeakPolarHBondContact O-CB 3.49Å; L320-N325 PolarHBondContact O-ND2 3.17Å; S322-N325 PolarHBondContact O-N 3.32Å; S322-N325 PolarHBondContact OG-N 3.07Å
326V95.7Very high94.2Very high20 Ų2050.5 Ų50.512%0.12128%0.277CS..BIsolated β-bridgetrans-108.3115.5-178.6174.90000110.5V309 S322 Q328 L331 M364V309-V326 WeakPolarHBondContact O-CA 3.48Å; S322-V326 WeakPolarHBondContact O-CG2 3.32Å; S322-V326 PolarHBondContact O-N 3.08Å; V326-Q328 PolarHBondContact O-N 3.44Å; V326-L331 HydrophobicContact CG1-CD2 3.96Å; V326-M364 HydrophobicContact CB-SD 4.36Å; V326-M364 HydrophobicContact CG1-SD 3.55Å; V326-M364 VanDerWaalsContact CG1-SD 3.55Å; V326-M364 HydrophobicContact CG2-SD 3.79Å
327C96.3Very high94.6Very high38 Ų3850.6 Ų50.626%0.25727%0.274SS..  trans-78.3109.3172.7-178.80000110.1V309 L311 T329 T330 L331V309-C327 PolarHBondContact O-N 3.18Å; L311-C327 HydrophobicContact CD2-CB 4.02Å; L311-C327 HydrophobicContact CG-CB 4.44Å; C327-T329 PolarHBondContact O-N 3.48Å; C327-T330 VanDerWaalsContact CB-OG1 3.25Å; C327-T330 WeakPolarHBondContact CB-OG1 3.47Å; C327-T330 PolarHBondContact O-OG1 3.47Å; C327-T330 PolarHBondContact SG-OG1 2.92Å; C327-T330 VanDerWaalsContact SG-OG1 3.34Å; C327-L331 WeakPolarHBondContact O-CB 3.42Å; C327-L331 PolarHBondContact O-N 3Å
328Q94.1Very high95Very high91 Ų9150 Ų5043%0.42527%0.272SS..Hα-helixtrans-65.3-36-176.5-98.3-68.33.900113.7V326 L331 M332V326-Q328 PolarHBondContact O-N 3.44Å; Q328-L331 PolarHBondContact O-N 2.92Å; Q328-M332 WeakPolarHBondContact O-CG 3.48Å; Q328-M332 PolarHBondContact O-N 2.67Å
329T95.5Very high95.4Very high97 Ų9745.8 Ų45.860%0.59524%0.242SC*.Hα-helixtrans-62.6-49.6179.7-47.30000111.3C327 L331 M332 D333C327-T329 PolarHBondContact O-N 3.48Å; T329-L331 VanDerWaalsContact C-N 3.34Å; T329-L331 PolarHBondContact O-N 3.39Å; T329-M332 WeakPolarHBondContact O-CB 3.32Å; T329-M332 PolarHBondContact O-N 3.5Å; T329-D333 VanDerWaalsContact O-CG 3.31Å; T329-D333 PolarHBondContact O-N 2.87Å
330T96.7Very high95.6Very high41 Ų4143.8 Ų43.825%0.25223%0.233SC..Hα-helixtrans-70.1-30.3177.851.60000112.2G308 V309 C327 D333 Y334G308-T330 PolarHBondContact O-OG1 3.46Å; V309-T330 WeakPolarHBondContact CA-OG1 3.29Å; C327-T330 VanDerWaalsContact CB-OG1 3.25Å; C327-T330 WeakPolarHBondContact CB-OG1 3.47Å; C327-T330 PolarHBondContact O-OG1 3.47Å; C327-T330 PolarHBondContact SG-OG1 2.92Å; C327-T330 VanDerWaalsContact SG-OG1 3.34Å; T330-D333 PolarHBondContact O-N 3.3Å; T330-Y334 WeakPolarHBondContact O-CB 3.31Å; T330-Y334 PolarHBondContact O-N 3.05Å
331L97Very high95.7Very high1 Ų145.5 Ų45.51%0.00524%0.241CC..Hα-helixtrans-61.3-44.8170.2179.559.7000111.8I241 V309 V326 C327 Q328 T329 D333 A335 I362 M364I241-L331 HydrophobicContact CD1-CD1 3.77Å; I241-L331 HydrophobicContact CG1-CD1 4.11Å; I241-L331 HydrophobicContact CG2-CD1 4.15Å; V309-L331 HydrophobicContact CG1-CB 3.91Å; V309-L331 HydrophobicContact CG1-CD1 3.78Å; V309-L331 HydrophobicContact CG1-CG 4.38Å; V326-L331 HydrophobicContact CG1-CD2 3.96Å; C327-L331 WeakPolarHBondContact O-CB 3.42Å; C327-L331 PolarHBondContact O-N 3Å; Q328-L331 PolarHBondContact O-N 2.92Å; T329-L331 VanDerWaalsContact C-N 3.34Å; T329-L331 PolarHBondContact O-N 3.39Å; L331-D333 VanDerWaalsContact C-N 3.35Å; L331-A335 PolarHBondContact O-N 2.92Å; L331-I362 HydrophobicContact CD1-CD1 4.26Å; L331-I362 HydrophobicContact CD2-CD1 4.41Å; L331-I362 HydrophobicContact CD2-CG1 4.29Å; L331-I362 HydrophobicContact CG-CD1 3.73Å; L331-I362 HydrophobicContact CG-CG1 4.13Å; L331-I362 WeakPolarHBondContact O-CD1 3.38Å; L331-M364 HydrophobicContact CD1-CG 3.79Å; L331-M364 HydrophobicContact CD1-SD 3.88Å; L331-M364 HydrophobicContact CD2-CG 3.65Å; L331-M364 HydrophobicContact CD2-SD 3.91Å; L331-M364 HydrophobicContact CG-CG 4.4Å; L331-M364 HydrophobicContact CG-SD 4.49Å
332M97.1Very high95.7Very high41 Ų4144.2 Ų44.220%0.20224%0.235CC..Hα-helixtrans-61.4-43175.7-75173.263.500111.8Q328 T329 R336 F352 P360 I362Q328-M332 WeakPolarHBondContact O-CG 3.48Å; Q328-M332 PolarHBondContact O-N 2.67Å; T329-M332 WeakPolarHBondContact O-CB 3.32Å; T329-M332 PolarHBondContact O-N 3.5Å; M332-R336 WeakPolarHBondContact O-CB 3.38Å; M332-R336 PolarHBondContact O-N 2.85Å; M332-F352 HydrophobicContact CB-CE2 3.77Å; M332-F352 HydrophobicContact CB-CZ 4.02Å; M332-F352 HydrophobicContact CE-CD2 3.68Å; M332-F352 HydrophobicContact CE-CE2 3.82Å; M332-F352 HydrophobicContact CG-CE2 3.95Å; M332-F352 HydrophobicContact CG-CZ 4.14Å; M332-F352 WeakPolarHBondContact O-CZ 3.43Å; M332-P360 HydrophobicContact CE-CB 3.85Å; M332-P360 HydrophobicContact CE-CG 3.64Å; M332-P360 HydrophobicContact SD-CB 4.03Å; M332-P360 HydrophobicContact SD-CG 3.92Å; M332-I362 HydrophobicContact CG-CG2 3.9Å
333D97Very high95.7Very high59 Ų5943.4 Ų43.432%0.31623%0.229SC..Hα-helixtrans-69.7-44179.8-62-26.8000111.5T329 T330 L331 A335 R336 E337T329-D333 VanDerWaalsContact O-CG 3.31Å; T329-D333 PolarHBondContact O-N 2.87Å; T330-D333 PolarHBondContact O-N 3.3Å; L331-D333 VanDerWaalsContact C-N 3.35Å; D333-A335 PolarHBondContact O-N 3.46Å; D333-R336 PolarHBondContact O-N 3.35Å; D333-R336 IonicContact OD1-CZ 3.65Å; D333-R336 IonicContact OD1-NH1 3.79Å; D333-R336 PolarHBondContact OD1-NH1 2.88Å; D333-R336 IonicContact OD1-NH2 3.68Å; D333-E337 WeakPolarHBondContact O-CG 3.07Å; D333-E337 PolarHBondContact O-N 3.05Å
334Y97.8Very high95.6Very high1 Ų146 Ų460%0.00423%0.232CC..Hα-helixtrans-54.4-49173.7-173.4-75.9000112I241 I280 L282 M297 A299 S303 L304 K307 V309 T330 A338I241-Y334 HydrophobicContact CD1-CD1 3.88Å; I241-Y334 HydrophobicContact CD1-CE1 3.84Å; I280-Y334 HydrophobicContact CB-CE2 4.44Å; I280-Y334 HydrophobicContact CD1-CD1 4.48Å; I280-Y334 HydrophobicContact CD1-CD2 4.43Å; I280-Y334 HydrophobicContact CD1-CG 4.35Å; I280-Y334 WeakPolarHBondContact CD1-O 3.45Å; I280-Y334 HydrophobicContact CG1-CD2 4.15Å; I280-Y334 HydrophobicContact CG1-CE2 4.01Å; I280-Y334 HydrophobicContact CG2-CE1 3.78Å; I280-Y334 HydrophobicContact CG2-CE2 4.16Å; I280-Y334 WeakPolarHBondContact CG2-OH 3.28Å; L282-Y334 HydrophobicContact CD2-CE1 4.11Å; M297-Y334 HydrophobicContact SD-CE1 4.35Å; A299-Y334 HydrophobicContact CB-CE1 4.16Å; A299-Y334 WeakPolarHBondContact CB-OH 3.12Å; S303-Y334 PolarHBondContact OG-OH 3.42Å; L304-Y334 HydrophobicContact CD2-CD1 4.39Å; L304-Y334 HydrophobicContact CD2-CD2 4.25Å; L304-Y334 HydrophobicContact CD2-CE1 3.95Å; L304-Y334 HydrophobicContact CD2-CE2 3.79Å; K307-Y334 HydrophobicContact CB-CD2 3.76Å; K307-Y334 HydrophobicContact CB-CE2 4.14Å; K307-Y334 HydrophobicContact CG-CD2 3.81Å; K307-Y334 HydrophobicContact CG-CE2 3.92Å; V309-Y334 HydrophobicContact CG2-CD2 3.78Å; V309-Y334 HydrophobicContact CG2-CG 4.02Å; T330-Y334 WeakPolarHBondContact O-CB 3.31Å; T330-Y334 PolarHBondContact O-N 3.05Å; Y334-A338 WeakPolarHBondContact O-CB 3.4Å; Y334-A338 PolarHBondContact O-N 3.15Å
335A97.3Very high95.5Very high0 Ų044.9 Ų44.90%023%0.227CC..Hα-helixtrans-70-33.2179.800000112.9I241 A243 M297 L331 D333 A339 I362I241-A335 HydrophobicContact CG2-CB 4.25Å; A243-A335 HydrophobicContact CB-CB 4.18Å; M297-A335 HydrophobicContact CE-CB 4.48Å; L331-A335 PolarHBondContact O-N 2.92Å; D333-A335 PolarHBondContact O-N 3.46Å; A335-A339 VanDerWaalsContact O-CB 3.24Å; A335-A339 WeakPolarHBondContact O-CB 3.41Å; A335-A339 PolarHBondContact O-N 2.97Å; A335-I362 HydrophobicContact CB-CD1 3.38Å; A335-I362 HydrophobicContact CB-CG1 4.48Å
336R97.1Very high95.3Very high80 Ų8046.8 Ų46.830%0.30224%0.244SC..Hα-helixtrans-68.5-48176.7-165.6-173.9-55.599.8-2.3111.3F245 M332 D333 A338 A339 D340 L350F245-R336 HydrophobicContact CE1-CB 4.49Å; F245-R336 HydrophobicContact CE1-CG 4.41Å; M332-R336 WeakPolarHBondContact O-CB 3.38Å; M332-R336 PolarHBondContact O-N 2.85Å; D333-R336 PolarHBondContact O-N 3.35Å; D333-R336 IonicContact OD1-CZ 3.65Å; D333-R336 IonicContact OD1-NH1 3.79Å; D333-R336 PolarHBondContact OD1-NH1 2.88Å; D333-R336 IonicContact OD1-NH2 3.68Å; R336-A338 PolarHBondContact O-N 3.47Å; R336-A339 PolarHBondContact O-N 3.41Å; R336-D340 VanDerWaalsContact O-CB 3.3Å; R336-D340 WeakPolarHBondContact O-CB 3.16Å; R336-D340 PolarHBondContact O-N 3.18Å; R336-L350 HydrophobicContact CG-CB 3.73Å; R336-L350 HydrophobicContact CG-CD1 3.92Å
337E96.5Very high95.1Very high75 Ų7546.1 Ų46.135%0.3524%0.239SC..Hα-helixtrans-60.4-44.2176.3-72.8175.4-154.300111.9I280 K307 D333 A339 D340 F341I280-E337 HydrophobicContact CD1-CB 3.75Å; K307-E337 IonicContact NZ-OE1 3.74Å; K307-E337 IonicContact NZ-OE2 3.2Å; K307-E337 PolarHBondContact NZ-OE2 3.23Å; D333-E337 WeakPolarHBondContact O-CG 3.07Å; D333-E337 PolarHBondContact O-N 3.05Å; E337-A339 PolarHBondContact O-N 3.5Å; E337-D340 PolarHBondContact O-N 3.39Å; E337-F341 WeakPolarHBondContact O-CB 3.21Å; E337-F341 PolarHBondContact O-N 3.07Å
338A96Very high94.8Very high0 Ų048.2 Ų48.20%025%0.252CS..Hα-helixtrans-62.6-40.5176.900000112.6I280 L282 I285 M297 Y334 R336 A342I280-A338 HydrophobicContact CD1-CB 4.01Å; I280-A338 HydrophobicContact CG2-CB 4.26Å; L282-A338 HydrophobicContact CD1-CB 4.43Å; I285-A338 HydrophobicContact CD1-CB 4.46Å; M297-A338 HydrophobicContact CE-CB 3.82Å; M297-A338 HydrophobicContact SD-CB 3.74Å; Y334-A338 WeakPolarHBondContact O-CB 3.4Å; Y334-A338 PolarHBondContact O-N 3.15Å; R336-A338 PolarHBondContact O-N 3.47Å; A338-A342 WeakPolarHBondContact O-CB 3.04Å; A338-A342 PolarHBondContact O-N 3.35Å
339A95.8Very high94.6Very high0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-68.9-43.8177.300000112.3F245 F295 A335 R336 E337 A342 C343 L350F245-A339 HydrophobicContact CE2-CB 3.65Å; F245-A339 HydrophobicContact CZ-CB 4.04Å; F295-A339 HydrophobicContact CD1-CB 3.86Å; F295-A339 HydrophobicContact CD2-CB 3.97Å; F295-A339 HydrophobicContact CE1-CB 3.67Å; F295-A339 HydrophobicContact CE2-CB 3.81Å; F295-A339 HydrophobicContact CG-CB 4Å; F295-A339 HydrophobicContact CZ-CB 3.65Å; A335-A339 VanDerWaalsContact O-CB 3.24Å; A335-A339 WeakPolarHBondContact O-CB 3.41Å; A335-A339 PolarHBondContact O-N 2.97Å; R336-A339 PolarHBondContact O-N 3.41Å; E337-A339 PolarHBondContact O-N 3.5Å; A339-A342 PolarHBondContact O-N 2.88Å; A339-C343 PolarHBondContact O-N 3.49Å; A339-C343 VanDerWaalsContact O-N 3.07Å; A339-L350 HydrophobicContact CB-CD1 4.29Å
340D95.9Very high94.5Very high49 Ų4947.6 Ų47.626%0.26224%0.237SC..Hα-helixtrans-63.3-48.3179.9-165.743.1000111.6R336 E337 C343 E344 H345 L350R336-D340 VanDerWaalsContact O-CB 3.3Å; R336-D340 WeakPolarHBondContact O-CB 3.16Å; R336-D340 PolarHBondContact O-N 3.18Å; E337-D340 PolarHBondContact O-N 3.39Å; D340-C343 CarbonylContact O-C 3.58Å; D340-C343 PolarHBondContact O-N 3.32Å; D340-E344 PolarHBondContact O-N 2.91Å; D340-H345 VanDerWaalsContact CG-ND1 3.29Å; D340-H345 PolarHBondContact O-N 3.07Å; D340-H345 IonicContact OD1-ND1 2.69Å; D340-H345 IonicContact OD2-CE1 2.92Å; D340-H345 PolarHBondContact OD2-CE1 3.28Å; D340-H345 IonicContact OD2-CG 3.87Å; D340-H345 IonicContact OD2-ND1 2.75Å; D340-H345 PolarHBondContact OD2-ND1 3.4Å; D340-L350 HydrophobicContact CB-CD1 3.62Å
341F94.8Very high94.5Very high37 Ų3748.9 Ų48.916%0.16224%0.242CC..Hα-helixtrans-62-44.1174.5-173.9-80.5000111.8F270 E273 M274 A277 T278 E337 C343 E344F270-F341 AromaticContact CD2-CE1 4Å; F270-F341 HydrophobicContact CD2-CE1 4Å; F270-F341 AromaticContact CE2-CD1 3.95Å; F270-F341 HydrophobicContact CE2-CD1 3.95Å; F270-F341 AromaticContact CE2-CE1 3.8Å; F270-F341 HydrophobicContact CE2-CE1 3.8Å; F270-F341 HydrophobicContact CZ-CD1 4.35Å; F270-F341 HydrophobicContact CZ-CE1 4.47Å; E273-F341 HydrophobicContact CB-CZ 4.07Å; M274-F341 VanDerWaalsContact CA-CZ 3.49Å; M274-F341 HydrophobicContact CB-CD1 3.77Å; M274-F341 HydrophobicContact CB-CE1 3.54Å; M274-F341 HydrophobicContact CB-CG 4.46Å; M274-F341 HydrophobicContact CB-CZ 4.06Å; M274-F341 HydrophobicContact CE-CB 4.43Å; M274-F341 HydrophobicContact CE-CD1 3.59Å; M274-F341 HydrophobicContact CE-CE1 4.33Å; M274-F341 HydrophobicContact CE-CG 4.35Å; M274-F341 HydrophobicContact CG-CD1 3.91Å; M274-F341 HydrophobicContact CG-CE1 4.22Å; M274-F341 HydrophobicContact CG-CG 4.31Å; A277-F341 HydrophobicContact CB-CD2 4.23Å; A277-F341 HydrophobicContact CB-CE2 3.74Å; T278-F341 HydrophobicContact CG2-CB 4.4Å; T278-F341 HydrophobicContact CG2-CD2 4.12Å; T278-F341 HydrophobicContact CG2-CG 4.47Å; E337-F341 WeakPolarHBondContact O-CB 3.21Å; E337-F341 PolarHBondContact O-N 3.07Å; F341-C343 PolarHBondContact O-N 3.26Å; F341-E344 PolarHBondContact O-N 3.45Å; F341-E344 VanDerWaalsContact O-N 3.11Å
342A92.8Very high94.5Very high9 Ų950.1 Ų50.17%0.07425%0.247CC..Hα-helixtrans-64.3-28.9-178.400000113.3I259 F270 M274 I285 A338 A339I259-A342 HydrophobicContact CD1-CB 3.89Å; I259-A342 WeakPolarHBondContact CD1-O 3.35Å; F270-A342 HydrophobicContact CZ-CB 3.99Å; M274-A342 HydrophobicContact CE-CB 4.25Å; I285-A342 HydrophobicContact CD1-CB 3.86Å; A338-A342 WeakPolarHBondContact O-CB 3.04Å; A338-A342 PolarHBondContact O-N 3.35Å; A339-A342 PolarHBondContact O-N 2.88Å
343C92.2Very high94.4Very high7 Ų748.4 Ų48.45%0.04724%0.24CC..THydrogen-bonded Turntrans-97.218.3175.7-700000113.8V256 Y287 A339 D340 F341 H345 A346 L347V256-C343 HydrophobicContact CG1-CB 3.98Å; Y287-C343 VanDerWaalsContact CD1-SG 3.56Å; A339-C343 PolarHBondContact O-N 3.49Å; A339-C343 VanDerWaalsContact O-N 3.07Å; D340-C343 CarbonylContact O-C 3.58Å; D340-C343 PolarHBondContact O-N 3.32Å; F341-C343 PolarHBondContact O-N 3.26Å; C343-H345 PolarHBondContact O-N 2.9Å; C343-H345 VanDerWaalsContact O-N 3.14Å; C343-A346 WeakPolarHBondContact O-CB 3.37Å; C343-A346 PolarHBondContact O-N 3.09Å; C343-L347 HydrophobicContact CB-CD1 4.01Å; C343-L347 HydrophobicContact CB-CG 4.15Å
344E92Very high94.3Very high163 Ų16349.7 Ų49.776%0.76225%0.251SS*.THydrogen-bonded Turntrans53.534.4177-59.4175.3-161.600113.1D340 F341 A346D340-E344 PolarHBondContact O-N 2.91Å; F341-E344 PolarHBondContact O-N 3.45Å; F341-E344 VanDerWaalsContact O-N 3.11Å; E344-A346 PolarHBondContact O-N 3.42Å; E344-A346 VanDerWaalsContact O-N 3.14Å
345H91.4Very high94.1Very high124 Ų12451.1 Ų51.157%0.57426%0.259SS*.THydrogen-bonded Turntrans58.218.6-174.8-45.7-75.1000114.8D340 C343D340-H345 VanDerWaalsContact CG-ND1 3.29Å; D340-H345 PolarHBondContact O-N 3.07Å; D340-H345 IonicContact OD1-ND1 2.69Å; D340-H345 IonicContact OD2-CE1 2.92Å; D340-H345 PolarHBondContact OD2-CE1 3.28Å; D340-H345 IonicContact OD2-CG 3.87Å; D340-H345 IonicContact OD2-ND1 2.75Å; D340-H345 PolarHBondContact OD2-ND1 3.4Å; C343-H345 PolarHBondContact O-N 2.9Å; C343-H345 VanDerWaalsContact O-N 3.14Å
346A92.6Very high93.6Very high49 Ų4955.5 Ų55.541%0.40528%0.279SS..  trans-81.8-12.3-176.400000114.3V256 C343 E344V256-A346 HydrophobicContact CG1-CB 4.44Å; V256-A346 HydrophobicContact CG2-CB 3.82Å; C343-A346 WeakPolarHBondContact O-CB 3.37Å; C343-A346 PolarHBondContact O-N 3.09Å; E344-A346 PolarHBondContact O-N 3.42Å; E344-A346 VanDerWaalsContact O-N 3.14Å
347L92Very high93.3Very high6 Ų660 Ų603%0.03130%0.296CS..SBendtrans-84.6116.7174.3-74.2173.3000109.6E253 V256 F295 C343 R349 L350E253-L347 HydrophobicContact CG-CD2 4.24Å; V256-L347 HydrophobicContact CB-CD2 4.34Å; V256-L347 HydrophobicContact CG1-CG 4.41Å; V256-L347 HydrophobicContact CG2-CD2 3.83Å; V256-L347 HydrophobicContact CG2-CG 4.18Å; F295-L347 HydrophobicContact CE2-CD1 4.3Å; F295-L347 HydrophobicContact CZ-CD1 3.96Å; C343-L347 HydrophobicContact CB-CD1 4.01Å; C343-L347 HydrophobicContact CB-CG 4.15Å; L347-R349 VanDerWaalsContact C-N 3.29Å; L347-R349 PolarHBondContact O-N 2.87Å; L347-L350 HydrophobicContact CB-CD2 4.17Å; L347-L350 HydrophobicContact CD1-CD2 3.81Å
348P88.4Confident93.1Very high82 Ų8259.5 Ų59.553%0.53231%0.311SS..SBendtrans-69.3-24.3-167.327-35.8000114E253E253-P348 HydrophobicContact CG-CG 4.11Å
349R90.1Very high92.9Very high157 Ų15764.4 Ų64.459%0.59233%0.334SS*.  trans-150.3135.4177.1-67.6-175.759152.12.8110.1L347 D351L347-R349 VanDerWaalsContact C-N 3.29Å; L347-R349 PolarHBondContact O-N 2.87Å; R349-D351 IonicContact CZ-OD1 2.63Å; R349-D351 IonicContact CZ-OD2 2.74Å; R349-D351 IonicContact NE-OD1 3.51Å; R349-D351 IonicContact NE-OD2 3.63Å; R349-D351 PolarHBondContact NE-OD2 3.39Å; R349-D351 VanDerWaalsContact NH2-CG 3.26Å; R349-D351 IonicContact NH2-OD1 3.92Å; R349-D351 PolarHBondContact NH2-OD1 3.5Å; R349-D351 IonicContact NH2-OD2 3.45Å; R349-D351 PolarHBondContact NH2-OD2 3.31Å
350L93.9Very high93Very high19 Ų1966.9 Ų66.910%0.09935%0.35CS..  trans-114.461174.8-68.5170.5000110.4F245 R336 A339 D340 L347F245-L350 HydrophobicContact CB-CD2 4.22Å; F245-L350 HydrophobicContact CD1-CB 3.87Å; F245-L350 HydrophobicContact CD1-CD2 4.21Å; F245-L350 WeakPolarHBondContact CD1-O 3.32Å; F245-L350 HydrophobicContact CD2-CD2 3.82Å; F245-L350 HydrophobicContact CE1-CB 4.03Å; F245-L350 HydrophobicContact CE2-CD2 4.2Å; F245-L350 HydrophobicContact CG-CB 4.33Å; F245-L350 HydrophobicContact CG-CD2 3.82Å; R336-L350 HydrophobicContact CG-CB 3.73Å; R336-L350 HydrophobicContact CG-CD1 3.92Å; A339-L350 HydrophobicContact CB-CD1 4.29Å; D340-L350 HydrophobicContact CB-CD1 3.62Å; L347-L350 HydrophobicContact CB-CD2 4.17Å; L347-L350 HydrophobicContact CD1-CD2 3.81Å
351D96.2Very high93Very high67 Ų6765.6 Ų65.636%0.35834%0.343SS..PPolyproline II helixtrans-79127.9170.1-58.1-71.5000109.3F245 V246 R349 A353F245-D351 CarbonylContact C-O 3.51Å; F245-D351 VanDerWaalsContact CA-O 3.24Å; F245-D351 WeakPolarHBondContact CA-O 3.44Å; F245-D351 WeakPolarHBondContact CB-O 3.34Å; V246-D351 PolarHBondContact N-O 3.5Å; R349-D351 IonicContact CZ-OD1 2.63Å; R349-D351 IonicContact CZ-OD2 2.74Å; R349-D351 IonicContact NE-OD1 3.51Å; R349-D351 IonicContact NE-OD2 3.63Å; R349-D351 PolarHBondContact NE-OD2 3.39Å; R349-D351 VanDerWaalsContact NH2-CG 3.26Å; R349-D351 IonicContact NH2-OD1 3.92Å; R349-D351 PolarHBondContact NH2-OD1 3.5Å; R349-D351 IonicContact NH2-OD2 3.45Å; R349-D351 PolarHBondContact NH2-OD2 3.31Å; D351-A353 PolarHBondContact O-N 2.89Å
352F97.1Very high93.1Very high28 Ų2864.2 Ų64.212%0.12334%0.337CS..BIsolated β-bridgetrans-64135.5177.7-75.7-83.9000111.5A243 F245 M332 P360 I362A243-F352 HydrophobicContact CB-CE1 3.95Å; F245-F352 HydrophobicContact CD1-CD1 4.04Å; F245-F352 HydrophobicContact CD1-CD2 4.46Å; F245-F352 HydrophobicContact CD1-CE1 4.18Å; F245-F352 HydrophobicContact CD1-CG 4.19Å; F245-F352 HydrophobicContact CD1-CZ 4.46Å; F245-F352 AromaticContact CE1-CD1 3.83Å; F245-F352 HydrophobicContact CE1-CD1 3.83Å; F245-F352 HydrophobicContact CE1-CD2 4.16Å; F245-F352 AromaticContact CE1-CE1 3.5Å; F245-F352 HydrophobicContact CE1-CE1 3.5Å; F245-F352 VanDerWaalsContact CE1-CE1 3.5Å; F245-F352 AromaticContact CE1-CE2 3.87Å; F245-F352 HydrophobicContact CE1-CE2 3.87Å; F245-F352 HydrophobicContact CE1-CG 4.15Å; F245-F352 AromaticContact CE1-CZ 3.52Å; F245-F352 HydrophobicContact CE1-CZ 3.52Å; F245-F352 AromaticContact CZ-CE1 3.9Å; F245-F352 HydrophobicContact CZ-CE1 3.9Å; F245-F352 HydrophobicContact CZ-CZ 4.01Å; M332-F352 HydrophobicContact CB-CE2 3.77Å; M332-F352 HydrophobicContact CB-CZ 4.02Å; M332-F352 HydrophobicContact CE-CD2 3.68Å; M332-F352 HydrophobicContact CE-CE2 3.82Å; M332-F352 HydrophobicContact CG-CE2 3.95Å; M332-F352 HydrophobicContact CG-CZ 4.14Å; M332-F352 WeakPolarHBondContact O-CZ 3.43Å; F352-P360 HydrophobicContact CB-CB 3.73Å; F352-P360 HydrophobicContact CD1-CB 4.43Å; F352-P360 HydrophobicContact CD2-CB 4.3Å; F352-P360 HydrophobicContact CG-CB 3.92Å; F352-I362 HydrophobicContact CD1-CB 4.31Å; F352-I362 HydrophobicContact CE1-CB 3.83Å; F352-I362 HydrophobicContact CE1-CD1 3.94Å; F352-I362 HydrophobicContact CE1-CG1 4.36Å; F352-I362 HydrophobicContact CE1-CG2 4.42Å; F352-I362 HydrophobicContact CZ-CD1 3.99Å
353A96.1Very high93.1Very high5 Ų565.3 Ų65.34%0.04135%0.346CS..PPolyproline II helixtrans-65.1150.9167.800000110.1N244 V246 T292 D351 D361N244-A353 HydrophobicContact CB-CB 4.14Å; N244-A353 WeakPolarHBondContact O-CB 3.23Å; N244-A353 PolarHBondContact O-N 3.06Å; V246-A353 HydrophobicContact CG2-CB 4.33Å; T292-A353 HydrophobicContact CG2-CB 3.8Å; D351-A353 PolarHBondContact O-N 2.89Å; A353-D361 WeakPolarHBondContact O-CB 3.5Å; A353-D361 PolarHBondContact O-N 3.14Å
354P95.3Very high93.2Very high86 Ų8666.5 Ų66.556%0.55835%0.351SS*.BIsolated β-bridgetrans-76.5130.2174.129.9-32.9000111.1N120N120-P354 PolarHBondContact ND2-O 3.49Å
355N92.7Very high93.1Very high30 Ų3062 Ų6216%0.1633%0.329CS..  trans-77.9-176.4170.874.326000111.6R357 G358 Q359 P360 D361N355-R357 PolarHBondContact O-N 3.02Å; N355-R357 WeakPolarHBondContact OD1-CA 3.46Å; N355-R357 WeakPolarHBondContact OD1-CB 3.21Å; N355-R357 PolarHBondContact OD1-N 3.02Å; N355-G358 PolarHBondContact O-N 3.27Å; N355-G358 PolarHBondContact OD1-N 2.95Å; N355-Q359 PolarHBondContact N-O 2.84Å; N355-Q359 PolarHBondContact ND2-O 2.86Å; N355-Q359 PolarHBondContact OD1-N 2.95Å; N355-Q359 PolarHBondContact OD1-O 3.33Å; N355-P360 PolarHBondContact ND2-O 3.41Å; N355-D361 HydrophobicContact CB-CB 3.81Å; N355-D361 WeakPolarHBondContact CB-OD1 3.44Å
356H87.6Confident92.9Very high92 Ų9258.5 Ų58.543%0.42632%0.315SS..THydrogen-bonded Turntrans-60.3-11.5-177.284.684.8000116K116 S118K116-H356 PolarHBondContact NZ-O 3.2Å; S118-H356 VanDerWaalsContact OG-CB 3.27Å; S118-H356 WeakPolarHBondContact OG-CB 3.39Å
357R89.6Confident92.4Very high176 Ų17656.7 Ų56.766%0.66430%0.298SS*.THydrogen-bonded Turntrans-107.2-0.1177.7-48.8-178.4-173.8-165.6-1.2113.1N355 Q359N355-R357 PolarHBondContact O-N 3.02Å; N355-R357 WeakPolarHBondContact OD1-CA 3.46Å; N355-R357 WeakPolarHBondContact OD1-CB 3.21Å; N355-R357 PolarHBondContact OD1-N 3.02Å; R357-Q359 VanDerWaalsContact C-N 3.27Å; R357-Q359 HydrophobicContact CB-CG 4.32Å
358G91.6Very high91.8Very high63 Ų6356.5 Ų56.565%0.64930%0.297SS*.SBendtrans75.711.7-171.800000114.5N355N355-G358 PolarHBondContact O-N 3.27Å; N355-G358 PolarHBondContact OD1-N 2.95Å
359Q93.4Very high91.3Very high103 Ų10352.9 Ų52.948%0.48127%0.273SS..SBendtrans-92.3160.9174.9-67.8174.1-33.500110.3N355 R357 D361N355-Q359 PolarHBondContact N-O 2.84Å; N355-Q359 PolarHBondContact ND2-O 2.86Å; N355-Q359 PolarHBondContact OD1-N 2.95Å; N355-Q359 PolarHBondContact OD1-O 3.33Å; R357-Q359 VanDerWaalsContact C-N 3.27Å; R357-Q359 HydrophobicContact CB-CG 4.32Å; Q359-D361 PolarHBondContact O-N 3.33Å
360P96.4Very high90.9Very high53 Ų5346.4 Ų46.434%0.34425%0.251SS..BIsolated β-bridgetrans-48.8131.4171.1-29.737.5000112.2M332 F352 N355 I362M332-P360 HydrophobicContact CE-CB 3.85Å; M332-P360 HydrophobicContact CE-CG 3.64Å; M332-P360 HydrophobicContact SD-CB 4.03Å; M332-P360 HydrophobicContact SD-CG 3.92Å; F352-P360 HydrophobicContact CB-CB 3.73Å; F352-P360 HydrophobicContact CD1-CB 4.43Å; F352-P360 HydrophobicContact CD2-CB 4.3Å; F352-P360 HydrophobicContact CG-CB 3.92Å; N355-P360 PolarHBondContact ND2-O 3.41Å; P360-I362 VanDerWaalsContact C-N 3.32Å; P360-I362 HydrophobicContact CB-CG2 4.49Å; P360-I362 PolarHBondContact O-N 2.84Å
361D96.8Very high90.5Very high21 Ų2147.7 Ų47.711%0.11226%0.256CS..  trans-85.376.6-175.8-163.223.5000112N120 A243 N244 A353 N355 Q359N120-D361 WeakPolarHBondContact CB-OD2 3.25Å; N120-D361 PolarHBondContact ND2-OD2 3.27Å; A243-D361 WeakPolarHBondContact CA-O 3.32Å; N244-D361 HydrophobicContact CB-CB 4.15Å; N244-D361 PolarHBondContact N-O 2.97Å; N244-D361 PolarHBondContact ND2-OD2 3.34Å; A353-D361 WeakPolarHBondContact O-CB 3.5Å; A353-D361 PolarHBondContact O-N 3.14Å; N355-D361 HydrophobicContact CB-CB 3.81Å; N355-D361 WeakPolarHBondContact CB-OD1 3.44Å; Q359-D361 PolarHBondContact O-N 3.33Å
362I96.4Very high90.1Very high9 Ų945 Ų455%0.04624%0.242CC..EExtended strand (participates in β ladder)trans-134.5137.6175.7-172.5166.5000110.4I241 T242 A243 L331 M332 A335 F352 P360I241-I362 HydrophobicContact CG2-CD1 4.33Å; I241-I362 HydrophobicContact CG2-CG1 4.2Å; T242-I362 WeakPolarHBondContact O-CA 3.32Å; A243-I362 HydrophobicContact CB-CG1 4.47Å; L331-I362 HydrophobicContact CD1-CD1 4.26Å; L331-I362 HydrophobicContact CD2-CD1 4.41Å; L331-I362 HydrophobicContact CD2-CG1 4.29Å; L331-I362 HydrophobicContact CG-CD1 3.73Å; L331-I362 HydrophobicContact CG-CG1 4.13Å; L331-I362 WeakPolarHBondContact O-CD1 3.38Å; M332-I362 HydrophobicContact CG-CG2 3.9Å; A335-I362 HydrophobicContact CB-CD1 3.38Å; A335-I362 HydrophobicContact CB-CG1 4.48Å; F352-I362 HydrophobicContact CD1-CB 4.31Å; F352-I362 HydrophobicContact CE1-CB 3.83Å; F352-I362 HydrophobicContact CE1-CD1 3.94Å; F352-I362 HydrophobicContact CE1-CG1 4.36Å; F352-I362 HydrophobicContact CE1-CG2 4.42Å; F352-I362 HydrophobicContact CZ-CD1 3.99Å; P360-I362 VanDerWaalsContact C-N 3.32Å; P360-I362 HydrophobicContact CB-CG2 4.49Å; P360-I362 PolarHBondContact O-N 2.84Å
363A94Very high89.9Confident31 Ų3144 Ų4426%0.25624%0.239SC..EExtended strand (participates in β ladder)trans-150.2147.5-179.200000112.5I241 T242 F365I241-A363 WeakPolarHBondContact CA-O 3.4Å; T242-A363 PolarHBondContact N-O 3.41Å; T242-A363 PolarHBondContact O-N 3.38Å; A363-F365 HydrophobicContact CB-CD2 4.44Å; A363-F365 HydrophobicContact CB-CE2 3.5Å; A363-F365 HydrophobicContact CB-CZ 3.56Å
364M93.3Very high89.7Confident33 Ų3348.3 Ų48.316%0.16326%0.258CS..EExtended strand (participates in β ladder)trans-101.2145.4171.4-60.7-17875.800110.6I239 A240 I241 L304 V309 I310 L321 V326 L331I239-M364 HydrophobicContact CG2-CE 3.58Å; A240-M364 CarbonylContact O-C 3.17Å; A240-M364 VanDerWaalsContact O-CA 3.3Å; A240-M364 WeakPolarHBondContact O-CA 3.34Å; I241-M364 HydrophobicContact CG1-CG 4.23Å; L304-M364 HydrophobicContact CD1-CE 3.82Å; V309-M364 HydrophobicContact CG1-CE 4.34Å; V309-M364 HydrophobicContact CG1-SD 4.15Å; I310-M364 HydrophobicContact CG1-CE 4.48Å; L321-M364 HydrophobicContact CD2-CE 3.79Å; V326-M364 HydrophobicContact CB-SD 4.36Å; V326-M364 HydrophobicContact CG1-SD 3.55Å; V326-M364 VanDerWaalsContact CG1-SD 3.55Å; V326-M364 HydrophobicContact CG2-SD 3.79Å; L331-M364 HydrophobicContact CD1-CG 3.79Å; L331-M364 HydrophobicContact CD1-SD 3.88Å; L331-M364 HydrophobicContact CD2-CG 3.65Å; L331-M364 HydrophobicContact CD2-SD 3.91Å; L331-M364 HydrophobicContact CG-CG 4.4Å; L331-M364 HydrophobicContact CG-SD 4.49Å
365F90Very high89.7Confident67 Ų6744.8 Ų44.829%0.29423%0.234SC..EExtended strand (participates in β ladder)trans-139.4145.7-179.9-58.3-84.1000111.7A240 T242 A363 W401A240-F365 HydrophobicContact CB-CB 4.47Å; A240-F365 PolarHBondContact N-O 3.27Å; A240-F365 PolarHBondContact O-N 2.9Å; T242-F365 HydrophobicContact CG2-CD2 4.23Å; T242-F365 HydrophobicContact CG2-CE2 4Å; T242-F365 WeakPolarHBondContact OG1-CE2 3.45Å; A363-F365 HydrophobicContact CB-CD2 4.44Å; A363-F365 HydrophobicContact CB-CE2 3.5Å; A363-F365 HydrophobicContact CB-CZ 3.56Å; F365-W401 HydrophobicContact CB-CH2 4.2Å; F365-W401 HydrophobicContact CB-CZ3 4.39Å; F365-W401 AromaticContact CD1-CH2 3.59Å; F365-W401 HydrophobicContact CD1-CH2 3.59Å; F365-W401 HydrophobicContact CD1-CZ3 4.28Å; F365-W401 AromaticContact CD2-CH2 3.7Å; F365-W401 HydrophobicContact CD2-CH2 3.7Å; F365-W401 AromaticContact CD2-CZ3 3.51Å; F365-W401 HydrophobicContact CD2-CZ3 3.51Å; F365-W401 AromaticContact CE1-CH2 3.77Å; F365-W401 HydrophobicContact CE1-CH2 3.77Å; F365-W401 HydrophobicContact CE1-CZ3 4.47Å; F365-W401 AromaticContact CE2-CH2 3.87Å; F365-W401 HydrophobicContact CE2-CH2 3.87Å; F365-W401 AromaticContact CE2-CZ3 3.73Å; F365-W401 HydrophobicContact CE2-CZ3 3.73Å; F365-W401 AromaticContact CG-CH2 3.54Å; F365-W401 HydrophobicContact CG-CH2 3.54Å; F365-W401 AromaticContact CG-CZ3 3.8Å; F365-W401 HydrophobicContact CG-CZ3 3.8Å; F365-W401 AromaticContact CZ-CH2 3.9Å; F365-W401 HydrophobicContact CZ-CH2 3.9Å; F365-W401 HydrophobicContact CZ-CZ3 4.2Å
366D87.4Confident89.9Confident51 Ų5143.4 Ų43.427%0.27323%0.227SC..EExtended strand (participates in β ladder)trans-83.6120.9169.7-178.429.4000110.7I317 L321 T368I317-D366 HydrophobicContact CG2-CB 4.19Å; L321-D366 HydrophobicContact CD1-CB 4.04Å; D366-T368 WeakPolarHBondContact OD1-CA 3.45Å; D366-T368 WeakPolarHBondContact OD1-CB 3.37Å; D366-T368 PolarHBondContact OD1-N 3.35Å; D366-T368 PolarHBondContact OD1-OG1 3.22Å
367F83Confident90.3Very high12 Ų1239 Ų395%0.05321%0.207CC..  trans-107.86.7169.1-79.3-16.3000112.8A238 A240 F400 W401 P402A238-F367 HydrophobicContact CB-CB 3.84Å; A238-F367 PolarHBondContact O-N 3.27Å; A240-F367 HydrophobicContact CB-CD2 3.47Å; A240-F367 VanDerWaalsContact CB-CD2 3.47Å; A240-F367 HydrophobicContact CB-CE1 4.49Å; A240-F367 HydrophobicContact CB-CE2 3.31Å; A240-F367 HydrophobicContact CB-CG 4.14Å; A240-F367 HydrophobicContact CB-CZ 3.87Å; F367-F400 HydrophobicContact CB-CD2 4.17Å; F367-F400 HydrophobicContact CB-CE2 3.97Å; F367-F400 HydrophobicContact CD1-CD2 4.44Å; F367-F400 AromaticContact CD2-CD2 3.77Å; F367-F400 HydrophobicContact CD2-CD2 3.77Å; F367-F400 AromaticContact CD2-CE2 3.4Å; F367-F400 HydrophobicContact CD2-CE2 3.4Å; F367-F400 HydrophobicContact CD2-CZ 4.35Å; F367-F400 HydrophobicContact CE2-CD2 4.22Å; F367-F400 HydrophobicContact CE2-CE2 4.02Å; F367-F400 AromaticContact CG-CD2 3.91Å; F367-F400 HydrophobicContact CG-CD2 3.91Å; F367-F400 AromaticContact CG-CE2 3.86Å; F367-F400 HydrophobicContact CG-CE2 3.86Å; F367-W401 AromaticContact CE1-CD2 3.7Å; F367-W401 HydrophobicContact CE1-CD2 3.7Å; F367-W401 AromaticContact CE1-CE2 3.86Å; F367-W401 AromaticContact CE1-CE3 3.97Å; F367-W401 HydrophobicContact CE1-CE3 3.97Å; F367-W401 AromaticContact CE1-CG 4Å; F367-W401 HydrophobicContact CE1-CG 4Å; F367-W401 HydrophobicContact CE1-CZ2 4.27Å; F367-W401 HydrophobicContact CE1-CZ3 4.37Å; F367-W401 HydrophobicContact CZ-CB 3.82Å; F367-W401 AromaticContact CZ-CD2 3.48Å; F367-W401 HydrophobicContact CZ-CD2 3.48Å; F367-W401 VanDerWaalsContact CZ-CD2 3.48Å; F367-W401 AromaticContact CZ-CE3 3.53Å; F367-W401 HydrophobicContact CZ-CE3 3.53Å; F367-W401 AromaticContact CZ-CG 3.63Å; F367-W401 HydrophobicContact CZ-CG 3.63Å; F367-W401 HydrophobicContact CZ-CZ3 4.22Å; F367-P402 VanDerWaalsContact CE2-CD 3.47Å; F367-P402 HydrophobicContact CE2-CG 3.85Å
368T79.5Confident90.6Very high2 Ų232.7 Ų32.71%0.01218%0.183CC..SBendtrans-65.6-42176.8-460000111.1R234 G235 L237 A238 I317 D366R234-T368 CarbonylContact C-O 3.56Å; R234-T368 WeakPolarHBondContact CA-O 3.47Å; R234-T368 HydrophobicContact CG-CG2 4.09Å; G235-T368 PolarHBondContact N-O 3.17Å; L237-T368 WeakPolarHBondContact CA-OG1 3.49Å; L237-T368 WeakPolarHBondContact CD1-OG1 3.35Å; A238-T368 PolarHBondContact N-OG1 3.11Å; A238-T368 VanDerWaalsContact N-OG1 3.16Å; I317-T368 HydrophobicContact CD1-CG2 3.7Å; I317-T368 WeakPolarHBondContact CD1-OG1 3.37Å; D366-T368 WeakPolarHBondContact OD1-CA 3.45Å; D366-T368 WeakPolarHBondContact OD1-CB 3.37Å; D366-T368 PolarHBondContact OD1-N 3.35Å; D366-T368 PolarHBondContact OD1-OG1 3.22Å
369S76.6Confident90.8Very high5 Ų529.7 Ų29.74%0.03515%0.152CC..EExtended strand (participates in β ladder)trans-114.6107.4-176.4-67.50000111.6E232 R234 F371E232-S369 VanDerWaalsContact OE1-CB 3.25Å; E232-S369 WeakPolarHBondContact OE1-CB 3.44Å; E232-S369 PolarHBondContact OE1-OG 2.96Å; R234-S369 PolarHBondContact NH1-OG 2.96Å; S369-F371 WeakPolarHBondContact O-CE2 3.37Å
370L81.4Confident90.9Very high22 Ų2225.6 Ų25.612%0.11513%0.133CC..EExtended strand (participates in β ladder)trans-93.5139.1170.3-62.6174.5000109.5F233 F400 L733F233-L370 PolarHBondContact N-O 2.95Å; F233-L370 PolarHBondContact O-N 2.98Å; F233-L370 VanDerWaalsContact O-N 3.14Å; L370-F400 HydrophobicContact CD1-CB 4.13Å; L370-F400 HydrophobicContact CD2-CB 4.4Å; L370-L733 HydrophobicContact CD1-CD2 4.05Å
371F86.2Confident90.7Very high46 Ų4624 Ų2420%0.20212%0.121CC..EExtended strand (participates in β ladder)trans-114.5137.6179.9-62.5-96.1000111R230 V231 E232 S369 E398R230-F371 HydrophobicContact CB-CD1 4.14Å; V231-F371 WeakPolarHBondContact O-CA 3.34Å; E232-F371 HydrophobicContact CB-CD1 3.95Å; E232-F371 HydrophobicContact CB-CE1 3.61Å; E232-F371 HydrophobicContact CB-CZ 4.29Å; E232-F371 HydrophobicContact CG-CD1 4.26Å; E232-F371 HydrophobicContact CG-CE1 3.66Å; E232-F371 HydrophobicContact CG-CZ 3.8Å; S369-F371 WeakPolarHBondContact O-CE2 3.37Å; F371-E398 HydrophobicContact CB-CG 4.18Å; F371-E398 WeakPolarHBondContact O-CB 3.27Å; F371-E398 PolarHBondContact O-N 2.92Å
372S88.9Confident90.4Very high11 Ų1124.7 Ų24.78%0.07712%0.122CC..EExtended strand (participates in β ladder)trans-119.7152.9163.1-58.40000108.9R230 V231 H397R230-S372 CarbonylContact C-O 3.59Å; R230-S372 WeakPolarHBondContact CA-O 3.16Å; V231-S372 PolarHBondContact N-O 2.86Å; V231-S372 PolarHBondContact O-N 3.26Å; S372-H397 WeakPolarHBondContact CB-CE1 3.49Å; S372-H397 PolarHBondContact OG-CE1 3.23Å; S372-H397 PolarHBondContact OG-ND1 3.37Å; S372-H397 PolarHBondContact OG-NE2 3.09Å
373A92.6Very high90Very high6 Ų630.8 Ų30.85%0.0515%0.145CC..EExtended strand (participates in β ladder)trans-67.7155.216700000110.8R229 N375 I391 L396 Y442R229-A373 CarbonylContact O-C 3.58Å; R229-A373 WeakPolarHBondContact O-CA 3.33Å; A373-N375 VanDerWaalsContact CB-O 3.29Å; A373-N375 WeakPolarHBondContact CB-O 3.36Å; A373-I391 HydrophobicContact CB-CD1 3.28Å; A373-L396 HydrophobicContact CB-CD1 4.36Å; A373-L396 PolarHBondContact N-O 3.01Å; A373-Y442 PolarHBondContact N-OH 2.91Å; A373-Y442 PolarHBondContact O-OH 3.37Å
374E92.1Very high89.5Confident95 Ų9532.2 Ų32.244%0.44415%0.151SC..SBendtrans-73.3-38.4171.7-174.7177.1166.800111.4R229 V231R229-E374 HydrophobicContact CB-CB 4.35Å; R229-E374 WeakPolarHBondContact CB-OE2 3.2Å; R229-E374 IonicContact CZ-OE1 3.51Å; R229-E374 IonicContact CZ-OE2 2.79Å; R229-E374 IonicContact NE-OE2 3.65Å; R229-E374 PolarHBondContact NE-OE2 3.19Å; R229-E374 IonicContact NH2-OE1 3.7Å; R229-E374 PolarHBondContact NH2-OE1 3.03Å; R229-E374 IonicContact NH2-OE2 2.74Å; R229-E374 PolarHBondContact NH2-OE2 3.27Å; R229-E374 PolarHBondContact O-N 3.04Å; V231-E374 HydrophobicContact CG2-CB 4.24Å
375N94.5Very high89.3Confident12 Ų1232 Ų326%0.06415%0.148CC..  trans-134.4150.1-179.963.8-67.8000109.5F228 A373 C377 R378 I391 E439 L483F228-N375 WeakPolarHBondContact CD1-ND2 3.28Å; F228-N375 WeakPolarHBondContact CE1-ND2 3.45Å; A373-N375 VanDerWaalsContact CB-O 3.29Å; A373-N375 WeakPolarHBondContact CB-O 3.36Å; N375-C377 PolarHBondContact ND2-O 3.47Å; N375-R378 WeakPolarHBondContact ND2-CG 3.38Å; N375-I391 WeakPolarHBondContact O-CD1 3.36Å; N375-E439 VanDerWaalsContact CA-OE2 3.31Å; N375-E439 WeakPolarHBondContact CA-OE2 3.23Å; N375-L483 HydrophobicContact CB-CD1 4.13Å; N375-L483 HydrophobicContact CB-CD2 3.69Å
376S96.2Very high89.4Confident1 Ų129.3 Ų29.31%0.00714%0.137CC..SBendtrans-97.6-18.8-178760000115.1I391 R438 E439S376-I391 VanDerWaalsContact O-CG1 3.28Å; S376-I391 WeakPolarHBondContact O-CG1 3.32Å; S376-I391 PolarHBondContact O-N 3.16Å; S376-I391 VanDerWaalsContact O-N 3.12Å; S376-R438 WeakPolarHBondContact OG-CG 3.09Å; S376-R438 PolarHBondContact OG-NE 3.03Å; S376-R438 PolarHBondContact OG-NH1 3.44Å; S376-R438 PolarHBondContact OG-NH2 2.94Å; S376-E439 VanDerWaalsContact CA-OE1 3.29Å; S376-E439 WeakPolarHBondContact CA-OE1 3.34Å; S376-E439 WeakPolarHBondContact CB-OE1 3.48Å; S376-E439 VanDerWaalsContact N-CD 3.31Å; S376-E439 PolarHBondContact N-OE1 2.94Å; S376-E439 PolarHBondContact N-OE2 2.93Å; S376-E439 VanDerWaalsContact N-OE2 3.1Å; S376-E439 PolarHBondContact OG-OE1 3.29Å
377C97.2Very high89.8Confident0 Ų026.9 Ų26.90%012%0.124CC..EExtended strand (participates in β ladder)trans-140.8165.517962.50000112.6N375 L389 M420 L435 R438 E439N375-C377 PolarHBondContact ND2-O 3.47Å; C377-L389 CarbonylContact C-O 3.52Å; C377-L389 VanDerWaalsContact CA-O 3.25Å; C377-L389 WeakPolarHBondContact CA-O 3.29Å; C377-L389 WeakPolarHBondContact CB-O 3.43Å; C377-M420 HydrophobicContact CB-CE 4.07Å; C377-M420 HydrophobicContact CB-SD 3.38Å; C377-M420 WeakPolarHBondContact CB-SD 3.5Å; C377-L435 HydrophobicContact CB-CD2 4.07Å; C377-L435 WeakPolarHBondContact SG-CD2 3.38Å; C377-R438 HydrophobicContact CB-CG 4.04Å; C377-R438 VanDerWaalsContact SG-CG 3.59Å; C377-E439 PolarHBondContact N-OE1 2.91Å; C377-E439 PolarHBondContact SG-OE1 3.38Å
378R96.4Very high90.5Very high43 Ų4326.3 Ų26.316%0.16212%0.122CC..EExtended strand (participates in β ladder)trans-149.7162.5169.3-71.8-172.257.7152.2-7109.8G227 F228 N375 L389 L483 D485G227-R378 VanDerWaalsContact CA-NH1 3.32Å; G227-R378 WeakPolarHBondContact O-CD 3.49Å; G227-R378 PolarHBondContact O-NH1 3.39Å; F228-R378 HydrophobicContact CE1-CG 4.14Å; F228-R378 HydrophobicContact CZ-CB 4.23Å; F228-R378 HydrophobicContact CZ-CG 4.11Å; N375-R378 WeakPolarHBondContact ND2-CG 3.38Å; R378-L389 HydrophobicContact CB-CB 4.15Å; R378-L389 HydrophobicContact CB-CD1 4.3Å; R378-L389 PolarHBondContact N-O 3.09Å; R378-L389 PolarHBondContact O-N 3.02Å; R378-L483 CarbonylContact C-O 3.6Å; R378-L483 WeakPolarHBondContact CA-O 3.46Å; R378-L483 HydrophobicContact CG-CB 4.5Å; R378-L483 HydrophobicContact CG-CD2 4.35Å; R378-D485 IonicContact NH2-OD2 3.76Å; R378-D485 PolarHBondContact NH2-OD2 3Å
379F95.5Very high91.3Very high0 Ų026.4 Ų26.40%012%0.122CC..EExtended strand (participates in β ladder)trans-128.1131.6168.3-172.8-94.3000110.3Q381 P386 L387 L388 Y424 I431 L435 L483 F484 D485 A496F379-Q381 HydrophobicContact CE1-CB 4.13Å; F379-P386 HydrophobicContact CE1-CB 4.27Å; F379-P386 HydrophobicContact CE2-CB 3.91Å; F379-P386 HydrophobicContact CZ-CB 3.4Å; F379-L387 WeakPolarHBondContact CA-O 3.5Å; F379-L388 HydrophobicContact CD2-CB 4.35Å; F379-L388 HydrophobicContact CD2-CD1 4.46Å; F379-Y424 AromaticContact CE2-CE2 3.76Å; F379-Y424 HydrophobicContact CE2-CE2 3.76Å; F379-I431 HydrophobicContact CB-CD1 4.41Å; F379-I431 HydrophobicContact CB-CG1 3.89Å; F379-I431 HydrophobicContact CD1-CG1 4.07Å; F379-I431 HydrophobicContact CD2-CD1 3.5Å; F379-I431 HydrophobicContact CD2-CG1 3.51Å; F379-I431 HydrophobicContact CE1-CG1 4.38Å; F379-I431 HydrophobicContact CE2-CD1 3.82Å; F379-I431 HydrophobicContact CE2-CG1 3.87Å; F379-I431 HydrophobicContact CG-CD1 4.07Å; F379-I431 HydrophobicContact CG-CG1 3.57Å; F379-I431 HydrophobicContact CZ-CG1 4.26Å; F379-L435 HydrophobicContact CB-CD1 4.09Å; F379-L483 PolarHBondContact N-O 2.9Å; F379-F484 HydrophobicContact CB-CD2 4.22Å; F379-F484 AromaticContact CD1-CD2 3.45Å; F379-F484 HydrophobicContact CD1-CD2 3.45Å; F379-F484 VanDerWaalsContact CD1-CD2 3.45Å; F379-F484 AromaticContact CD1-CE2 3.43Å; F379-F484 HydrophobicContact CD1-CE2 3.43Å; F379-F484 VanDerWaalsContact CD1-CE2 3.43Å; F379-F484 HydrophobicContact CE1-CD2 4.14Å; F379-F484 AromaticContact CE1-CE2 3.64Å; F379-F484 HydrophobicContact CE1-CE2 3.64Å; F379-F484 HydrophobicContact CG-CD2 4.2Å; F379-F484 WeakPolarHBondContact O-CA 3.17Å; F379-D485 PolarHBondContact O-N 3.43Å; F379-A496 HydrophobicContact CE1-CB 3.99Å; F379-A496 HydrophobicContact CZ-CB 3.82Å
380L94.6Very high92.3Very high17 Ų1726.1 Ų26.19%0.08912%0.12CC..EExtended strand (participates in β ladder)trans-115.6140.8174.1-50.5-175.5000109.4L182 W196 L387 L389 D485L182-L380 HydrophobicContact CD2-CD1 3.92Å; W196-L380 HydrophobicContact CH2-CB 3.76Å; W196-L380 HydrophobicContact CH2-CD1 3.7Å; W196-L380 HydrophobicContact CH2-CG 4.41Å; W196-L380 HydrophobicContact CZ2-CB 3.65Å; W196-L380 HydrophobicContact CZ2-CD1 4.4Å; W196-L380 HydrophobicContact CZ3-CD1 4.1Å; L380-L387 HydrophobicContact CB-CB 4.47Å; L380-L387 PolarHBondContact N-O 3.35Å; L380-L387 PolarHBondContact O-N 3.06Å; L380-L389 HydrophobicContact CD1-CD1 3.81Å; L380-L389 HydrophobicContact CD2-CD1 4.47Å; L380-L389 HydrophobicContact CG-CD1 3.89Å; L380-L389 HydrophobicContact CG-CG 4.43Å; L380-D485 CarbonylContact C-O 3.5Å; L380-D485 WeakPolarHBondContact CA-O 3.21Å; L380-D485 HydrophobicContact CD2-CB 3.75Å
381Q91.9Very high93Very high20 Ų2025.1 Ų25.19%0.09312%0.115CC..EExtended strand (participates in β ladder)trans-129.8131.8168.3-178.4165.7-30.600108.8F379 Y385 D485 T486 D487 E488F379-Q381 HydrophobicContact CE1-CB 4.13Å; Q381-Y385 WeakPolarHBondContact CA-O 3.39Å; Q381-D485 PolarHBondContact N-O 2.7Å; Q381-T486 WeakPolarHBondContact O-CA 3.33Å; Q381-D487 PolarHBondContact O-N 2.98Å; Q381-E488 PolarHBondContact NE2-OE1 2.94Å; Q381-E488 PolarHBondContact NE2-OE2 3.42Å
382R91.6Very high93.6Very high36 Ų3623 Ų2314%0.13611%0.106CC..EExtended strand (participates in β ladder)trans-140.4125.3176.6-66.7-65.5179.2-102.94.2108.4E184 P185 W196 T384 Y385 D485 D487E184-R382 IonicContact OE1-CZ 2.75Å; E184-R382 IonicContact OE1-NE 3.73Å; E184-R382 PolarHBondContact OE1-NE 2.97Å; E184-R382 IonicContact OE1-NH2 2.86Å; E184-R382 IonicContact OE2-NE 3.13Å; P185-R382 HydrophobicContact CG-CB 3.92Å; W196-R382 HydrophobicContact CH2-CB 4.26Å; W196-R382 HydrophobicContact CH2-CG 3.5Å; W196-R382 VanDerWaalsContact CH2-CG 3.5Å; W196-R382 HydrophobicContact CZ2-CB 3.79Å; W196-R382 HydrophobicContact CZ2-CG 3.44Å; W196-R382 VanDerWaalsContact CZ2-CG 3.44Å; R382-T384 VanDerWaalsContact C-N 3.29Å; R382-T384 PolarHBondContact O-N 3.36Å; R382-Y385 PolarHBondContact N-O 3.36Å; R382-Y385 WeakPolarHBondContact O-CB 3.42Å; R382-Y385 PolarHBondContact O-N 3.16Å; R382-D485 IonicContact CZ-OD1 3.99Å; R382-D485 VanDerWaalsContact CZ-OD1 3.25Å; R382-D485 PolarHBondContact NH1-O 3.4Å; R382-D485 IonicContact NH1-OD1 2.9Å; R382-D485 PolarHBondContact NH1-OD1 3.27Å; R382-D485 VanDerWaalsContact NH2-CG 3.34Å; R382-D485 IonicContact NH2-OD1 2.67Å; R382-D485 PolarHBondContact NH2-OD1 3.23Å; R382-D485 IonicContact NH2-OD2 2.75Å; R382-D485 PolarHBondContact NH2-OD2 3.46Å; R382-D487 VanDerWaalsContact CA-OD1 3.29Å; R382-D487 WeakPolarHBondContact CA-OD1 3.33Å
383R86.4Confident93.9Very high136 Ų13622.8 Ų22.851%0.51311%0.105SC..THydrogen-bonded Turntrans50.145.6178.3-48.9179.7-173.4-160.73.2112.6P185 Y385 D487P185-R383 PolarHBondContact O-NE 3.39Å; R383-Y385 HydrophobicContact CB-CD2 4.44Å; R383-Y385 VanDerWaalsContact O-CD2 3.27Å; R383-Y385 WeakPolarHBondContact O-CD2 3.34Å; R383-Y385 PolarHBondContact O-N 2.87Å; R383-D487 VanDerWaalsContact N-CG 3.35Å; R383-D487 PolarHBondContact N-OD1 2.88Å; R383-D487 PolarHBondContact N-OD2 3.15Å
384T83.6Confident93.9Very high62 Ų6225.1 Ų25.138%0.3812%0.117SC..THydrogen-bonded Turntrans65.30.8-17376.30000117.6R382 P386 E488 R499R382-T384 VanDerWaalsContact C-N 3.29Å; R382-T384 PolarHBondContact O-N 3.36Å; T384-P386 WeakPolarHBondContact O-CD 3.39Å; T384-E488 VanDerWaalsContact CA-OE1 3.29Å; T384-E488 WeakPolarHBondContact CA-OE1 3.48Å; T384-E488 WeakPolarHBondContact CG2-OE1 3.47Å; T384-E488 PolarHBondContact N-OE1 3.1Å; T384-E488 VanDerWaalsContact N-OE1 3.1Å; T384-R499 PolarHBondContact OG1-NH1 3.2Å
385Y89.7Confident93.9Very high28 Ų2820.8 Ų20.811%0.1110%0.097CC..EExtended strand (participates in β ladder)trans-89.1117.7175.4-68.6-91000110.3P185 G193 G195 W196 Q381 R382 R383 T503P185-Y385 HydrophobicContact CB-CD2 3.77Å; P185-Y385 HydrophobicContact CB-CE2 4.46Å; P185-Y385 HydrophobicContact CB-CG 4.17Å; P185-Y385 HydrophobicContact CG-CD2 4.26Å; P185-Y385 HydrophobicContact CG-CG 4.21Å; G193-Y385 PolarHBondContact O-OH 3.31Å; G195-Y385 VanDerWaalsContact CA-CD1 3.47Å; W196-Y385 PolarHBondContact NE1-O 3.45Å; Q381-Y385 WeakPolarHBondContact CA-O 3.39Å; R382-Y385 PolarHBondContact N-O 3.36Å; R382-Y385 WeakPolarHBondContact O-CB 3.42Å; R382-Y385 PolarHBondContact O-N 3.16Å; R383-Y385 HydrophobicContact CB-CD2 4.44Å; R383-Y385 VanDerWaalsContact O-CD2 3.27Å; R383-Y385 WeakPolarHBondContact O-CD2 3.34Å; R383-Y385 PolarHBondContact O-N 2.87Å; Y385-T503 PolarHBondContact OH-OG1 3.48Å; Y385-T503 VanDerWaalsContact OH-OG1 3.09Å
386P92.7Very high93.8Very high10 Ų1020.3 Ų20.37%0.06510%0.095CC..EExtended strand (participates in β ladder)trans-87.7146.3179.634.7-34.9000112.4F379 T384F379-P386 HydrophobicContact CE1-CB 4.27Å; F379-P386 HydrophobicContact CE2-CB 3.91Å; F379-P386 HydrophobicContact CZ-CB 3.4Å; T384-P386 WeakPolarHBondContact O-CD 3.39Å
387L95.5Very high93.5Very high0 Ų022 Ų220%010%0.102CC..EExtended strand (participates in β ladder)trans-139.7115.1173.7178.160.8000111.5L182 W196 F212 L215 F379 L380 L389L182-L387 HydrophobicContact CD1-CD2 3.69Å; L182-L387 HydrophobicContact CD2-CD2 3.65Å; L182-L387 HydrophobicContact CG-CD2 4.28Å; W196-L387 HydrophobicContact CB-CD2 4.15Å; W196-L387 HydrophobicContact CD2-CB 3.86Å; W196-L387 HydrophobicContact CD2-CD2 3.53Å; W196-L387 HydrophobicContact CD2-CG 4.32Å; W196-L387 HydrophobicContact CE3-CD2 3.59Å; W196-L387 HydrophobicContact CG-CB 3.84Å; W196-L387 HydrophobicContact CG-CD2 3.82Å; W196-L387 HydrophobicContact CG-CG 4.31Å; W196-L387 HydrophobicContact CZ2-CB 4.26Å; W196-L387 HydrophobicContact CZ3-CD2 4.13Å; F212-L387 HydrophobicContact CD2-CD1 3.79Å; F212-L387 HydrophobicContact CE2-CD1 3.99Å; F212-L387 HydrophobicContact CE2-CD2 4.38Å; L215-L387 HydrophobicContact CB-CD1 3.99Å; F379-L387 WeakPolarHBondContact CA-O 3.5Å; L380-L387 HydrophobicContact CB-CB 4.47Å; L380-L387 PolarHBondContact N-O 3.35Å; L380-L387 PolarHBondContact O-N 3.06Å; L387-L389 HydrophobicContact CD1-CD2 4.29Å; L387-L389 HydrophobicContact CD2-CD2 3.67Å; L387-L389 HydrophobicContact CD2-CG 4.47Å; L387-L389 HydrophobicContact CG-CD2 3.72Å; L387-L389 HydrophobicContact CG-CG 4.31Å
388L96.6Very high92.9Very high0 Ų022.6 Ų22.60%011%0.105CC..EExtended strand (participates in β ladder)trans-85120.9170.2179.561.5000110.2S213 V214 L215 F379 M420 I421 Y424 I431 L435S213-L388 PolarHBondContact O-N 3.23Å; V214-L388 WeakPolarHBondContact CA-O 3.46Å; V214-L388 HydrophobicContact CG2-CB 4.37Å; L215-L388 PolarHBondContact N-O 2.83Å; F379-L388 HydrophobicContact CD2-CB 4.35Å; F379-L388 HydrophobicContact CD2-CD1 4.46Å; L388-M420 HydrophobicContact CD1-CE 4.02Å; L388-M420 HydrophobicContact CD1-CG 4.48Å; L388-M420 HydrophobicContact CD1-SD 3.98Å; L388-M420 HydrophobicContact CD2-CE 4.04Å; L388-M420 HydrophobicContact CD2-CG 4.35Å; L388-M420 HydrophobicContact CG-CE 4.04Å; L388-I421 HydrophobicContact CD2-CG1 4.24Å; L388-Y424 HydrophobicContact CB-CD1 4.1Å; L388-Y424 HydrophobicContact CB-CE1 3.96Å; L388-Y424 HydrophobicContact CD2-CD1 3.51Å; L388-Y424 HydrophobicContact CD2-CE1 4.23Å; L388-Y424 HydrophobicContact CD2-CG 3.76Å; L388-Y424 HydrophobicContact CG-CD1 4.46Å; L388-I431 HydrophobicContact CD1-CD1 4.5Å; L388-L435 HydrophobicContact CD1-CD2 4.43Å
389L97.6Very high92.3Very high4 Ų421.2 Ų21.22%0.02110%0.102CC..EExtended strand (participates in β ladder)trans-104.5137.2176.9-59.9-177.4000111.1L215 F228 C377 R378 L380 L387L215-L389 HydrophobicContact CB-CD2 3.8Å; L215-L389 HydrophobicContact CD2-CD2 4.07Å; L215-L389 HydrophobicContact CG-CD2 4.17Å; L215-L389 WeakPolarHBondContact O-CA 3.46Å; F228-L389 HydrophobicContact CE2-CB 4.06Å; F228-L389 HydrophobicContact CE2-CD1 4.26Å; F228-L389 HydrophobicContact CZ-CB 3.82Å; C377-L389 CarbonylContact C-O 3.52Å; C377-L389 VanDerWaalsContact CA-O 3.25Å; C377-L389 WeakPolarHBondContact CA-O 3.29Å; C377-L389 WeakPolarHBondContact CB-O 3.43Å; R378-L389 HydrophobicContact CB-CB 4.15Å; R378-L389 HydrophobicContact CB-CD1 4.3Å; R378-L389 PolarHBondContact N-O 3.09Å; R378-L389 PolarHBondContact O-N 3.02Å; L380-L389 HydrophobicContact CD1-CD1 3.81Å; L380-L389 HydrophobicContact CD2-CD1 4.47Å; L380-L389 HydrophobicContact CG-CD1 3.89Å; L380-L389 HydrophobicContact CG-CG 4.43Å; L387-L389 HydrophobicContact CD1-CD2 4.29Å; L387-L389 HydrophobicContact CD2-CD2 3.67Å; L387-L389 HydrophobicContact CD2-CG 4.47Å; L387-L389 HydrophobicContact CG-CD2 3.72Å; L387-L389 HydrophobicContact CG-CG 4.31Å
390G97.3Very high91.5Very high0 Ų021.8 Ų21.80%010%0.104CC..EExtended strand (participates in β ladder)trans-142.4156172.600000113.1L215 I216 S217L215-G390 PolarHBondContact O-N 2.72Å; L215-G390 VanDerWaalsContact O-N 3.1Å; I216-G390 CarbonylContact C-O 3.56Å; I216-G390 WeakPolarHBondContact CA-O 3.22Å; S217-G390 PolarHBondContact N-O 2.63Å
391I96.9Very high90.7Very high0 Ų025.1 Ų25.10%012%0.116CC..EExtended strand (participates in β ladder)trans-125.8140.6173.246.7164.2000110.7S217 F228 A373 N375 S376 L396S217-I391 WeakPolarHBondContact O-CA 3.33Å; F228-I391 HydrophobicContact CB-CD1 4.29Å; F228-I391 HydrophobicContact CD1-CD1 3.59Å; F228-I391 HydrophobicContact CD1-CG1 3.79Å; F228-I391 HydrophobicContact CD1-CG2 4.24Å; F228-I391 HydrophobicContact CD2-CG2 4.17Å; F228-I391 HydrophobicContact CE1-CD1 4.18Å; F228-I391 HydrophobicContact CE1-CG1 3.85Å; F228-I391 HydrophobicContact CE1-CG2 4.32Å; F228-I391 HydrophobicContact CE2-CG2 4.25Å; F228-I391 HydrophobicContact CG-CD1 4.1Å; F228-I391 HydrophobicContact CG-CG1 4.45Å; F228-I391 HydrophobicContact CG-CG2 4.16Å; F228-I391 HydrophobicContact CZ-CG2 4.32Å; A373-I391 HydrophobicContact CB-CD1 3.28Å; N375-I391 WeakPolarHBondContact O-CD1 3.36Å; S376-I391 VanDerWaalsContact O-CG1 3.28Å; S376-I391 WeakPolarHBondContact O-CG1 3.32Å; S376-I391 PolarHBondContact O-N 3.16Å; S376-I391 VanDerWaalsContact O-N 3.12Å; I391-L396 HydrophobicContact CD1-CB 4.36Å; I391-L396 HydrophobicContact CD1-CD1 3.93Å; I391-L396 HydrophobicContact CG1-CB 4.41Å; I391-L396 HydrophobicContact CG1-CD1 4Å
392V97.1Very high89.8Confident1 Ų125.6 Ų25.61%0.00612%0.121CC..  trans-143.1149.4-176.4-61.60000112.9C93 M97 I216 S217 A218 S395 V414 C417C93-V392 HydrophobicContact CB-CG2 4.42Å; M97-V392 HydrophobicContact CB-CG2 4.45Å; M97-V392 HydrophobicContact SD-CG1 4.09Å; I216-V392 HydrophobicContact CG2-CG1 4.18Å; I216-V392 HydrophobicContact CG2-CG2 3.88Å; S217-V392 PolarHBondContact O-N 2.93Å; A218-V392 HydrophobicContact CB-CG2 3.75Å; V392-S395 PolarHBondContact N-OG 3.44Å; V392-S395 PolarHBondContact O-OG 3.09Å; V392-V414 HydrophobicContact CB-CG2 3.99Å; V392-V414 HydrophobicContact CG1-CG2 4.3Å; V392-V414 HydrophobicContact CG2-CG2 4.1Å; V392-C417 HydrophobicContact CG1-CB 3.68Å
393G95.4Very high88.9Confident7 Ų726.2 Ų26.27%0.07213%0.129CC..G310 helixtrans75.2-145.8-176.700000113C93 S395 L396 H397C93-G393 VanDerWaalsContact SG-CA 3.6Å; G393-S395 PolarHBondContact O-N 2.93Å; G393-L396 WeakPolarHBondContact O-CB 3.39Å; G393-L396 PolarHBondContact O-N 3.44Å; G393-H397 PolarHBondContact O-N 3.18Å; G393-H397 VanDerWaalsContact O-N 3.1Å
394D92.5Very high88.5Confident56 Ų5620.2 Ų20.230%0.29911%0.109SC..G310 helixtrans-62.7-13.3-174.9-47.5-10000114E398D394-E398 WeakPolarHBondContact O-CG 3.29Å
395S92.1Very high88.6Confident3 Ų317.5 Ų17.52%0.0219%0.092CC..G310 helixtrans-75.3-28.7171.358.90000112.6S217 G220 V392 G393S217-S395 PolarHBondContact O-OG 3.46Å; S217-S395 VanDerWaalsContact O-OG 3.08Å; G220-S395 VanDerWaalsContact O-CA 3.29Å; G220-S395 WeakPolarHBondContact O-CA 3.36Å; G220-S395 WeakPolarHBondContact O-CB 3.38Å; G220-S395 PolarHBondContact O-N 2.72Å; V392-S395 PolarHBondContact N-OG 3.44Å; V392-S395 PolarHBondContact O-OG 3.09Å; G393-S395 PolarHBondContact O-N 2.93Å
396L93.5Very high88.6Confident2 Ų216.9 Ų16.91%0.0110%0.095CC..THydrogen-bonded Turntrans-90-41.9179.7176.766.4000112.6A373 I391 G393 Y442 L445A373-L396 HydrophobicContact CB-CD1 4.36Å; A373-L396 PolarHBondContact N-O 3.01Å; I391-L396 HydrophobicContact CD1-CB 4.36Å; I391-L396 HydrophobicContact CD1-CD1 3.93Å; I391-L396 HydrophobicContact CG1-CB 4.41Å; I391-L396 HydrophobicContact CG1-CD1 4Å; G393-L396 WeakPolarHBondContact O-CB 3.39Å; G393-L396 PolarHBondContact O-N 3.44Å; L396-Y442 HydrophobicContact CD1-CD2 3.9Å; L396-Y442 HydrophobicContact CD1-CE1 4.22Å; L396-Y442 HydrophobicContact CD1-CE2 3.37Å; L396-Y442 HydrophobicContact CD2-CD2 4.33Å; L396-Y442 HydrophobicContact CD2-CE2 4.15Å; L396-Y442 HydrophobicContact CG-CD2 4.29Å; L396-Y442 HydrophobicContact CG-CE2 3.66Å; L396-Y442 PolarHBondContact O-OH 2.84Å; L396-L445 HydrophobicContact CD2-CD2 3.63Å; L396-L445 HydrophobicContact CG-CD2 4.3Å
397H88.7Confident88.7Confident36 Ų3616.7 Ų16.717%0.1679%0.094CC..BIsolated β-bridgetrans-155.1109.6-179.3-17382000110.3S372 G393 P399 A446S372-H397 WeakPolarHBondContact CB-CE1 3.49Å; S372-H397 PolarHBondContact OG-CE1 3.23Å; S372-H397 PolarHBondContact OG-ND1 3.37Å; S372-H397 PolarHBondContact OG-NE2 3.09Å; G393-H397 PolarHBondContact O-N 3.18Å; G393-H397 VanDerWaalsContact O-N 3.1Å; H397-P399 WeakPolarHBondContact O-CD 3.5Å; H397-A446 WeakPolarHBondContact NE2-CB 3.29Å
398E85.9Confident88.6Confident14 Ų1416.7 Ų16.77%0.0659%0.094CC..  trans-69.8125.5178.9-69.8-171.2-168.100111K221 R230 F371 D394K221-E398 VanDerWaalsContact CD-OE1 3.28Å; K221-E398 WeakPolarHBondContact CD-OE1 3.47Å; K221-E398 WeakPolarHBondContact CD-OE2 3.46Å; K221-E398 VanDerWaalsContact CE-OE1 3.28Å; K221-E398 WeakPolarHBondContact CE-OE1 3.43Å; K221-E398 VanDerWaalsContact CE-OE2 3.25Å; K221-E398 WeakPolarHBondContact CE-OE2 3.29Å; K221-E398 WeakPolarHBondContact CG-OE1 3.31Å; K221-E398 IonicContact NZ-OE1 3.45Å; K221-E398 IonicContact NZ-OE2 3.88Å; K221-E398 PolarHBondContact NZ-OE2 2.85Å; R230-E398 IonicContact NH1-OE1 2.87Å; R230-E398 PolarHBondContact NH1-OE1 2.86Å; F371-E398 HydrophobicContact CB-CG 4.18Å; F371-E398 WeakPolarHBondContact O-CB 3.27Å; F371-E398 PolarHBondContact O-N 2.92Å; D394-E398 WeakPolarHBondContact O-CG 3.29Å
399P84Confident88.6Confident14 Ų1417.8 Ų17.89%0.09110%0.098CC..  trans-85.3143.6-177.232.3-33.7000112.7H397 W401H397-P399 WeakPolarHBondContact O-CD 3.5Å; P399-W401 PolarHBondContact O-N 3.47Å; P399-W401 PolarHBondContact O-NE1 2.92Å
400F77.6Confident88.5Confident11 Ų1117.8 Ų17.85%0.04810%0.099CC..  trans-83.1103.1164.7-178.5-111.2000109F367 L370 P402 T403 M729F367-F400 HydrophobicContact CB-CD2 4.17Å; F367-F400 HydrophobicContact CB-CE2 3.97Å; F367-F400 HydrophobicContact CD1-CD2 4.44Å; F367-F400 AromaticContact CD2-CD2 3.77Å; F367-F400 HydrophobicContact CD2-CD2 3.77Å; F367-F400 AromaticContact CD2-CE2 3.4Å; F367-F400 HydrophobicContact CD2-CE2 3.4Å; F367-F400 HydrophobicContact CD2-CZ 4.35Å; F367-F400 HydrophobicContact CE2-CD2 4.22Å; F367-F400 HydrophobicContact CE2-CE2 4.02Å; F367-F400 AromaticContact CG-CD2 3.91Å; F367-F400 HydrophobicContact CG-CD2 3.91Å; F367-F400 AromaticContact CG-CE2 3.86Å; F367-F400 HydrophobicContact CG-CE2 3.86Å; L370-F400 HydrophobicContact CD1-CB 4.13Å; L370-F400 HydrophobicContact CD2-CB 4.4Å; F400-P402 VanDerWaalsContact C-CD 3.41Å; F400-P402 HydrophobicContact CD1-CB 4.32Å; F400-P402 HydrophobicContact CD1-CG 4.36Å; F400-P402 HydrophobicContact CE1-CB 3.77Å; F400-P402 HydrophobicContact CE1-CG 3.83Å; F400-P402 HydrophobicContact CE2-CG 4.27Å; F400-P402 HydrophobicContact CZ-CB 4.17Å; F400-P402 HydrophobicContact CZ-CG 3.77Å; F400-T403 HydrophobicContact CD1-CG2 3.86Å; F400-T403 HydrophobicContact CE1-CG2 4.4Å; F400-T403 PolarHBondContact O-N 3.19Å; F400-T403 VanDerWaalsContact O-N 3.13Å; F400-T403 PolarHBondContact O-OG1 3.01Å; F400-M729 HydrophobicContact CE2-SD 4.11Å; F400-M729 HydrophobicContact CZ-CE 3.92Å; F400-M729 HydrophobicContact CZ-SD 3.86Å
401W78.5Confident88.6Confident87 Ų8717.8 Ų17.833%0.3310%0.099SC..G310 helixtrans-57.5-34.9-165.9-47.3-21.8000115.5T242 F365 F367 P399 T403 G404T242-W401 HydrophobicContact CG2-CE3 4.13Å; T242-W401 HydrophobicContact CG2-CZ3 3.85Å; F365-W401 HydrophobicContact CB-CH2 4.2Å; F365-W401 HydrophobicContact CB-CZ3 4.39Å; F365-W401 AromaticContact CD1-CH2 3.59Å; F365-W401 HydrophobicContact CD1-CH2 3.59Å; F365-W401 HydrophobicContact CD1-CZ3 4.28Å; F365-W401 AromaticContact CD2-CH2 3.7Å; F365-W401 HydrophobicContact CD2-CH2 3.7Å; F365-W401 AromaticContact CD2-CZ3 3.51Å; F365-W401 HydrophobicContact CD2-CZ3 3.51Å; F365-W401 AromaticContact CE1-CH2 3.77Å; F365-W401 HydrophobicContact CE1-CH2 3.77Å; F365-W401 HydrophobicContact CE1-CZ3 4.47Å; F365-W401 AromaticContact CE2-CH2 3.87Å; F365-W401 HydrophobicContact CE2-CH2 3.87Å; F365-W401 AromaticContact CE2-CZ3 3.73Å; F365-W401 HydrophobicContact CE2-CZ3 3.73Å; F365-W401 AromaticContact CG-CH2 3.54Å; F365-W401 HydrophobicContact CG-CH2 3.54Å; F365-W401 AromaticContact CG-CZ3 3.8Å; F365-W401 HydrophobicContact CG-CZ3 3.8Å; F365-W401 AromaticContact CZ-CH2 3.9Å; F365-W401 HydrophobicContact CZ-CH2 3.9Å; F365-W401 HydrophobicContact CZ-CZ3 4.2Å; F367-W401 AromaticContact CE1-CD2 3.7Å; F367-W401 HydrophobicContact CE1-CD2 3.7Å; F367-W401 AromaticContact CE1-CE2 3.86Å; F367-W401 AromaticContact CE1-CE3 3.97Å; F367-W401 HydrophobicContact CE1-CE3 3.97Å; F367-W401 AromaticContact CE1-CG 4Å; F367-W401 HydrophobicContact CE1-CG 4Å; F367-W401 HydrophobicContact CE1-CZ2 4.27Å; F367-W401 HydrophobicContact CE1-CZ3 4.37Å; F367-W401 HydrophobicContact CZ-CB 3.82Å; F367-W401 AromaticContact CZ-CD2 3.48Å; F367-W401 HydrophobicContact CZ-CD2 3.48Å; F367-W401 VanDerWaalsContact CZ-CD2 3.48Å; F367-W401 AromaticContact CZ-CE3 3.53Å; F367-W401 HydrophobicContact CZ-CE3 3.53Å; F367-W401 AromaticContact CZ-CG 3.63Å; F367-W401 HydrophobicContact CZ-CG 3.63Å; F367-W401 HydrophobicContact CZ-CZ3 4.22Å; P399-W401 PolarHBondContact O-N 3.47Å; P399-W401 PolarHBondContact O-NE1 2.92Å; W401-T403 PolarHBondContact O-N 3.22Å; W401-T403 VanDerWaalsContact O-N 3.14Å; W401-G404 PolarHBondContact O-N 3.49Å
402P72.1Confident88.6Confident31 Ų3117.8 Ų17.820%0.20110%0.099CC..G310 helixtrans-61.8-17.5177.9-2636.1000115.5F367 F400F367-P402 VanDerWaalsContact CE2-CD 3.47Å; F367-P402 HydrophobicContact CE2-CG 3.85Å; F400-P402 VanDerWaalsContact C-CD 3.41Å; F400-P402 HydrophobicContact CD1-CB 4.32Å; F400-P402 HydrophobicContact CD1-CG 4.36Å; F400-P402 HydrophobicContact CE1-CB 3.77Å; F400-P402 HydrophobicContact CE1-CG 3.83Å; F400-P402 HydrophobicContact CE2-CG 4.27Å; F400-P402 HydrophobicContact CZ-CB 4.17Å; F400-P402 HydrophobicContact CZ-CG 3.77Å
403T72.8Confident88.6Confident49 Ų4917.7 Ų17.730%0.30110%0.098SC..G310 helixtrans-89-1.117256.70000113.5F400 W401 S405 L724F400-T403 HydrophobicContact CD1-CG2 3.86Å; F400-T403 HydrophobicContact CE1-CG2 4.4Å; F400-T403 PolarHBondContact O-N 3.19Å; F400-T403 VanDerWaalsContact O-N 3.13Å; F400-T403 PolarHBondContact O-OG1 3.01Å; W401-T403 PolarHBondContact O-N 3.22Å; W401-T403 VanDerWaalsContact O-N 3.14Å; T403-S405 PolarHBondContact O-N 3.17Å; T403-S405 PolarHBondContact OG1-OG 2.89Å; T403-L724 HydrophobicContact CG2-CD1 4.2Å
404G79.3Confident88.8Confident9 Ų917.4 Ų17.49%0.09310%0.095CC..THydrogen-bonded Turntrans63.19.2179.100000115.3W401 G406W401-G404 PolarHBondContact O-N 3.49Å; G404-G406 VanDerWaalsContact C-N 3.31Å; G404-G406 PolarHBondContact O-N 3.26Å
405S85.7Confident89Confident5 Ų514.9 Ų14.94%0.0358%0.081CC..Hα-helixtrans-78.7-9-168.969.90000114.9T403 R409T403-S405 PolarHBondContact O-N 3.17Å; T403-S405 PolarHBondContact OG1-OG 2.89Å; S405-R409 WeakPolarHBondContact O-CB 3.36Å; S405-R409 WeakPolarHBondContact O-CG 3.46Å; S405-R409 PolarHBondContact O-N 3.2Å
406G89.2Confident89.3Confident16 Ų1614.9 Ų14.917%0.1658%0.081CC..Hα-helixtrans-65.4-52.5-168.600000114.4G404 A408 G410G404-G406 VanDerWaalsContact C-N 3.31Å; G404-G406 PolarHBondContact O-N 3.26Å; G406-A408 VanDerWaalsContact C-N 3.33Å; G406-A408 PolarHBondContact O-N 3.08Å; G406-G410 PolarHBondContact O-N 3.36Å
407C93.6Very high89.6Confident6 Ų614.8 Ų14.84%0.0418%0.08CC..Hα-helixtrans-61.3-44.6178.4-1670000111.1L123 G410 F411L123-C407 HydrophobicContact CD1-CB 4.33Å; C407-G410 PolarHBondContact O-N 2.97Å; C407-F411 WeakPolarHBondContact O-CB 3.45Å; C407-F411 WeakPolarHBondContact O-CD1 3.48Å; C407-F411 PolarHBondContact O-N 3.4Å
408A95.3Very high90Very high0 Ų013 Ų130%07%0.073CC..Hα-helixtrans-62.1-55.5179.500000113.7W126 F128 V129 G406 G410 F411 L412W126-A408 HydrophobicContact CB-CB 4.03Å; W126-A408 HydrophobicContact CD2-CB 3.26Å; W126-A408 HydrophobicContact CE3-CB 3.37Å; W126-A408 HydrophobicContact CG-CB 3.61Å; W126-A408 HydrophobicContact CH2-CB 4.23Å; W126-A408 HydrophobicContact CZ2-CB 4.23Å; W126-A408 HydrophobicContact CZ3-CB 3.85Å; F128-A408 HydrophobicContact CE1-CB 3.81Å; F128-A408 HydrophobicContact CZ-CB 4.06Å; V129-A408 HydrophobicContact CG2-CB 4.25Å; G406-A408 VanDerWaalsContact C-N 3.33Å; G406-A408 PolarHBondContact O-N 3.08Å; A408-G410 VanDerWaalsContact C-N 3.27Å; A408-G410 PolarHBondContact O-N 2.83Å; A408-F411 PolarHBondContact O-N 2.87Å; A408-L412 WeakPolarHBondContact O-CG 3.4Å; A408-L412 PolarHBondContact O-N 2.83Å
409R95.2Very high90.6Very high22 Ų2213.5 Ų13.58%0.0837%0.074CC..Hα-helixtrans-66.4-31.9178.5-67-179.4-178-176.9-3.6111.7S405 G413 L445 A446 S448S405-R409 WeakPolarHBondContact O-CB 3.36Å; S405-R409 WeakPolarHBondContact O-CG 3.46Å; S405-R409 PolarHBondContact O-N 3.2Å; R409-G413 PolarHBondContact O-N 3.49Å; R409-L445 HydrophobicContact CB-CD1 4.16Å; R409-L445 HydrophobicContact CB-CG 4.41Å; R409-L445 HydrophobicContact CG-CD1 4.48Å; R409-L445 WeakPolarHBondContact O-CD1 3.25Å; R409-A446 PolarHBondContact NH1-O 3.41Å; R409-A446 PolarHBondContact NH2-O 3.46Å; R409-S448 PolarHBondContact NE-O 3.28Å; R409-S448 PolarHBondContact NH2-O 3.24Å
410G96.5Very high91.3Very high4 Ų412.9 Ų12.94%0.0417%0.07CC..Hα-helixtrans-58.5-50169.800000112.7C93 G406 C407 A408 G413 V414C93-G410 VanDerWaalsContact SG-CA 3.55Å; G406-G410 PolarHBondContact O-N 3.36Å; C407-G410 PolarHBondContact O-N 2.97Å; A408-G410 VanDerWaalsContact C-N 3.27Å; A408-G410 PolarHBondContact O-N 2.83Å; G410-G413 PolarHBondContact O-N 2.98Å; G410-V414 WeakPolarHBondContact O-CG2 3.09Å; G410-V414 PolarHBondContact O-N 2.9Å
411F97.9Very high92.2Very high0 Ų012.4 Ų12.40%07%0.067CC..Hα-helixtrans-69.2-38.1179.9-84.136.7000112.8P92 R96 F128 V129 L133 L162 C407 A408 V414 F415P92-F411 HydrophobicContact CB-CE1 4.43Å; R96-F411 HydrophobicContact CB-CD1 4.32Å; R96-F411 HydrophobicContact CB-CE1 3.91Å; R96-F411 HydrophobicContact CB-CE2 4.5Å; R96-F411 HydrophobicContact CB-CZ 4.02Å; R96-F411 VanDerWaalsContact CD-CE2 3.47Å; R96-F411 HydrophobicContact CG-CD1 4.08Å; R96-F411 HydrophobicContact CG-CD2 3.89Å; R96-F411 HydrophobicContact CG-CE1 3.93Å; R96-F411 HydrophobicContact CG-CE2 3.75Å; R96-F411 HydrophobicContact CG-CG 4.07Å; R96-F411 HydrophobicContact CG-CZ 3.78Å; F128-F411 HydrophobicContact CE2-CB 4.33Å; V129-F411 HydrophobicContact CG1-CD2 3.79Å; V129-F411 HydrophobicContact CG1-CE2 3.75Å; V129-F411 HydrophobicContact CG1-CG 4.45Å; V129-F411 HydrophobicContact CG1-CZ 4.4Å; V129-F411 HydrophobicContact CG2-CB 4.45Å; V129-F411 HydrophobicContact CG2-CD2 4.34Å; L133-F411 HydrophobicContact CD2-CE2 4Å; L133-F411 HydrophobicContact CD2-CZ 4.21Å; L133-F411 HydrophobicContact CG-CE2 4.25Å; L162-F411 HydrophobicContact CD1-CE1 4.49Å; L162-F411 HydrophobicContact CD1-CZ 4.04Å; L162-F411 HydrophobicContact CD2-CZ 4.39Å; C407-F411 WeakPolarHBondContact O-CB 3.45Å; C407-F411 WeakPolarHBondContact O-CD1 3.48Å; C407-F411 PolarHBondContact O-N 3.4Å; A408-F411 PolarHBondContact O-N 2.87Å; F411-V414 WeakPolarHBondContact O-CB 3.17Å; F411-V414 PolarHBondContact O-N 3.02Å; F411-F415 HydrophobicContact CB-CE2 4.42Å; F411-F415 HydrophobicContact CB-CZ 4.42Å; F411-F415 HydrophobicContact CD2-CZ 4.45Å; F411-F415 WeakPolarHBondContact O-CD2 3.39Å; F411-F415 VanDerWaalsContact O-CG 3.28Å; F411-F415 WeakPolarHBondContact O-CG 3.35Å; F411-F415 PolarHBondContact O-N 3Å
412L97.7Very high93.1Very high0 Ų010.5 Ų10.50%06%0.06CC..Hα-helixtrans-58.4-48.3171.6-73.7172.7000111.2F128 A408 V414 F415 D416 L445 L453 R467 Y468F128-L412 HydrophobicContact CE1-CD1 4.46Å; F128-L412 HydrophobicContact CE1-CD2 4.49Å; F128-L412 HydrophobicContact CE1-CG 4.29Å; F128-L412 HydrophobicContact CE2-CD2 4.36Å; F128-L412 HydrophobicContact CE2-CG 4.46Å; F128-L412 HydrophobicContact CZ-CD1 4.37Å; F128-L412 HydrophobicContact CZ-CD2 4.02Å; F128-L412 HydrophobicContact CZ-CG 3.75Å; A408-L412 WeakPolarHBondContact O-CG 3.4Å; A408-L412 PolarHBondContact O-N 2.83Å; L412-V414 VanDerWaalsContact C-N 3.25Å; L412-V414 PolarHBondContact O-N 2.75Å; L412-F415 PolarHBondContact O-N 3.46Å; L412-F415 VanDerWaalsContact O-N 3.12Å; L412-D416 PolarHBondContact O-N 3.07Å; L412-L445 HydrophobicContact CB-CD1 3.54Å; L412-L445 HydrophobicContact CD1-CD1 4.19Å; L412-L453 HydrophobicContact CD1-CD1 4.03Å; L412-L453 HydrophobicContact CD1-CD2 4.17Å; L412-L453 HydrophobicContact CD2-CD2 4.39Å; L412-R467 HydrophobicContact CD2-CB 4.45Å; L412-Y468 HydrophobicContact CD1-CE1 4.41Å; L412-Y468 HydrophobicContact CD2-CE1 4.46Å
413G97.5Very high94.3Very high0 Ų09.4 Ų9.40%05%0.053CC..Hα-helixtrans-61.9-30.3175.800000113.7R409 G410 C417R409-G413 PolarHBondContact O-N 3.49Å; G410-G413 PolarHBondContact O-N 2.98Å; G413-C417 VanDerWaalsContact O-CB 3.25Å; G413-C417 WeakPolarHBondContact O-CB 3.33Å; G413-C417 PolarHBondContact O-N 3.29Å
414V98.6Very high95.3Very high0 Ų07.6 Ų7.60%04%0.041CC..Hα-helixtrans-66.9-46.6171164.60000111.5C93 R96 M97 E100 V392 G410 F411 L412 D416 C417 A418C93-V414 HydrophobicContact CB-CG2 4.09Å; C93-V414 VanDerWaalsContact O-CG2 3.31Å; C93-V414 WeakPolarHBondContact O-CG2 3.32Å; R96-V414 HydrophobicContact CB-CG1 4.35Å; R96-V414 HydrophobicContact CG-CG1 4.05Å; M97-V414 HydrophobicContact CB-CG1 4.14Å; M97-V414 HydrophobicContact CB-CG2 4.18Å; M97-V414 HydrophobicContact CE-CG1 4.44Å; M97-V414 HydrophobicContact SD-CG1 4.1Å; E100-V414 HydrophobicContact CG-CG1 4.09Å; V392-V414 HydrophobicContact CB-CG2 3.99Å; V392-V414 HydrophobicContact CG1-CG2 4.3Å; V392-V414 HydrophobicContact CG2-CG2 4.1Å; G410-V414 WeakPolarHBondContact O-CG2 3.09Å; G410-V414 PolarHBondContact O-N 2.9Å; F411-V414 WeakPolarHBondContact O-CB 3.17Å; F411-V414 PolarHBondContact O-N 3.02Å; L412-V414 VanDerWaalsContact C-N 3.25Å; L412-V414 PolarHBondContact O-N 2.75Å; V414-D416 VanDerWaalsContact C-N 3.35Å; V414-D416 PolarHBondContact O-N 2.92Å; V414-C417 PolarHBondContact O-N 2.86Å; V414-A418 WeakPolarHBondContact O-CB 3.31Å; V414-A418 PolarHBondContact O-N 3.33Å
415F98.5Very high96.1Very high3 Ų38.4 Ų8.41%0.0135%0.048CC..Hα-helixtrans-64.3-39.9177.8-58.1-30.8000112E100 F128 F411 L412 C417 A418 W419 I462 R467E100-F415 HydrophobicContact CG-CD1 4.25Å; E100-F415 HydrophobicContact CG-CE1 4.48Å; F128-F415 HydrophobicContact CE2-CE2 4.01Å; F411-F415 HydrophobicContact CB-CE2 4.42Å; F411-F415 HydrophobicContact CB-CZ 4.42Å; F411-F415 HydrophobicContact CD2-CZ 4.45Å; F411-F415 WeakPolarHBondContact O-CD2 3.39Å; F411-F415 VanDerWaalsContact O-CG 3.28Å; F411-F415 WeakPolarHBondContact O-CG 3.35Å; F411-F415 PolarHBondContact O-N 3Å; L412-F415 PolarHBondContact O-N 3.46Å; L412-F415 VanDerWaalsContact O-N 3.12Å; F415-C417 VanDerWaalsContact C-N 3.32Å; F415-C417 PolarHBondContact O-N 2.97Å; F415-A418 PolarHBondContact O-N 2.97Å; F415-W419 PolarHBondContact O-N 3.01Å; F415-I462 HydrophobicContact CB-CG2 4.48Å; F415-I462 HydrophobicContact CD1-CG2 4.33Å; F415-R467 VanDerWaalsContact CB-CZ 3.4Å
416D98.1Very high96.4Very high3 Ų310.3 Ų10.32%0.0166%0.058CC..Hα-helixtrans-64.9-36.7175.7-59.8-23.3000111.7L412 V414 M420 R438 V441 R467 Y468L412-D416 PolarHBondContact O-N 3.07Å; V414-D416 VanDerWaalsContact C-N 3.35Å; V414-D416 PolarHBondContact O-N 2.92Å; D416-M420 PolarHBondContact O-N 3.42Å; D416-R438 WeakPolarHBondContact O-CD 3.47Å; D416-V441 HydrophobicContact CB-CG1 4.1Å; D416-V441 WeakPolarHBondContact OD1-CG1 3.32Å; D416-V441 WeakPolarHBondContact OD2-CG1 3.49Å; D416-R467 IonicContact OD1-CZ 3.55Å; D416-R467 IonicContact OD1-NH1 3.55Å; D416-R467 PolarHBondContact OD1-NH1 2.75Å; D416-R467 IonicContact OD1-NH2 2.7Å; D416-R467 PolarHBondContact OD1-NH2 2.69Å; D416-R467 IonicContact OD2-NH1 3.48Å; D416-Y468 WeakPolarHBondContact OD1-CE2 3.5Å; D416-Y468 PolarHBondContact OD2-OH 2.88Å
417C98.4Very high96.4Very high0 Ų012.4 Ų12.40%07%0.074CC..Hα-helixtrans-71-38.6173.4-1650000112.4M97 V392 G413 V414 F415 W419 M420 I421M97-C417 HydrophobicContact CE-CB 4.36Å; M97-C417 HydrophobicContact SD-CB 3.76Å; V392-C417 HydrophobicContact CG1-CB 3.68Å; G413-C417 VanDerWaalsContact O-CB 3.25Å; G413-C417 WeakPolarHBondContact O-CB 3.33Å; G413-C417 PolarHBondContact O-N 3.29Å; V414-C417 PolarHBondContact O-N 2.86Å; F415-C417 VanDerWaalsContact C-N 3.32Å; F415-C417 PolarHBondContact O-N 2.97Å; C417-W419 VanDerWaalsContact C-N 3.34Å; C417-W419 PolarHBondContact O-N 3.42Å; C417-M420 WeakPolarHBondContact O-CB 3.4Å; C417-M420 PolarHBondContact O-N 2.93Å; C417-I421 WeakPolarHBondContact O-CG1 3.3Å; C417-I421 PolarHBondContact O-N 2.97Å
418A98.6Very high96.2Very high0 Ų020.4 Ų20.40%011%0.108CC..Hα-helixtrans-63.7-39.9175.700000111.8M97 E100 L104 V414 F415 I421 R422 I462M97-A418 HydrophobicContact CE-CB 3.88Å; E100-A418 HydrophobicContact CB-CB 3.67Å; E100-A418 HydrophobicContact CG-CB 4.06Å; L104-A418 HydrophobicContact CD1-CB 4.39Å; L104-A418 WeakPolarHBondContact CD1-O 3.32Å; V414-A418 WeakPolarHBondContact O-CB 3.31Å; V414-A418 PolarHBondContact O-N 3.33Å; F415-A418 PolarHBondContact O-N 2.97Å; A418-I421 PolarHBondContact O-N 2.87Å; A418-R422 WeakPolarHBondContact O-CB 3.05Å; A418-R422 PolarHBondContact O-N 2.92Å; A418-I462 HydrophobicContact CB-CB 4.33Å; A418-I462 HydrophobicContact CB-CG2 3.77Å
419W98.1Very high95.9Very high23 Ų2323.2 Ų23.29%0.08712%0.122CC..Hα-helixtrans-61.4-42173.3-170.5-108.4000112.6E73 F415 C417 R422 N423 E437 I462 D463 P464E73-W419 HydrophobicContact CB-CZ3 4.35Å; E73-W419 HydrophobicContact CG-CZ3 4.04Å; F415-W419 PolarHBondContact O-N 3.01Å; C417-W419 VanDerWaalsContact C-N 3.34Å; C417-W419 PolarHBondContact O-N 3.42Å; W419-R422 WeakPolarHBondContact O-CB 3.24Å; W419-R422 PolarHBondContact O-N 2.93Å; W419-N423 PolarHBondContact NE1-ND2 3.26Å; W419-N423 VanDerWaalsContact NE1-ND2 3.12Å; W419-N423 VanDerWaalsContact O-CG 3.28Å; W419-N423 PolarHBondContact O-N 2.85Å; W419-E437 VanDerWaalsContact NE1-CD 3.34Å; W419-E437 PolarHBondContact NE1-OE1 3.08Å; W419-E437 PolarHBondContact NE1-OE2 3.41Å; W419-I462 HydrophobicContact CE3-CD1 4.22Å; W419-I462 HydrophobicContact CE3-CG1 4.01Å; W419-I462 HydrophobicContact CZ3-CG1 4.49Å; W419-D463 HydrophobicContact CE3-CB 4.17Å; W419-D463 HydrophobicContact CH2-CB 3.85Å; W419-D463 HydrophobicContact CZ2-CB 4.42Å; W419-D463 HydrophobicContact CZ3-CB 3.72Å; W419-P464 HydrophobicContact CG-CG 4.16Å
420M97.9Very high95.6Very high2 Ų222.9 Ų22.91%0.0112%0.122CC..Hα-helixtrans-60.9-47.6173.1178.6-169.168.700112.2C377 L388 D416 C417 R422 N423 Y424 V434 R438C377-M420 HydrophobicContact CB-CE 4.07Å; C377-M420 HydrophobicContact CB-SD 3.38Å; C377-M420 WeakPolarHBondContact CB-SD 3.5Å; L388-M420 HydrophobicContact CD1-CE 4.02Å; L388-M420 HydrophobicContact CD1-CG 4.48Å; L388-M420 HydrophobicContact CD1-SD 3.98Å; L388-M420 HydrophobicContact CD2-CE 4.04Å; L388-M420 HydrophobicContact CD2-CG 4.35Å; L388-M420 HydrophobicContact CG-CE 4.04Å; D416-M420 PolarHBondContact O-N 3.42Å; C417-M420 WeakPolarHBondContact O-CB 3.4Å; C417-M420 PolarHBondContact O-N 2.93Å; M420-R422 VanDerWaalsContact C-N 3.33Å; M420-R422 PolarHBondContact O-N 3.2Å; M420-N423 PolarHBondContact O-N 3.42Å; M420-Y424 WeakPolarHBondContact O-CB 3.46Å; M420-Y424 PolarHBondContact O-N 3.24Å; M420-V434 HydrophobicContact CB-CG1 4.42Å; M420-V434 HydrophobicContact CG-CG1 3.56Å; M420-R438 HydrophobicContact CB-CB 4.24Å; M420-R438 HydrophobicContact CB-CG 4.29Å; M420-R438 HydrophobicContact CG-CB 4.14Å; M420-R438 HydrophobicContact CG-CG 4.3Å; M420-R438 HydrophobicContact SD-CB 3.92Å; M420-R438 HydrophobicContact SD-CG 3.59Å; M420-R438 VanDerWaalsContact SD-CG 3.59Å
421I97.9Very high95.5Very high0 Ų023 Ų230%012%0.122CC..Hα-helixtrans-62.2-41.2178.4-65.6166.4000110.9L83 M97 L104 V214 I216 L388 C417 A418 Y424 G425L83-I421 HydrophobicContact CD1-CG2 3.75Å; M97-I421 HydrophobicContact CE-CD1 3.81Å; L104-I421 HydrophobicContact CD1-CB 4.32Å; L104-I421 HydrophobicContact CD1-CG2 4.14Å; V214-I421 HydrophobicContact CG1-CD1 4.1Å; V214-I421 HydrophobicContact CG1-CG1 4.12Å; I216-I421 HydrophobicContact CD1-CD1 4.02Å; I216-I421 HydrophobicContact CG1-CD1 4.18Å; L388-I421 HydrophobicContact CD2-CG1 4.24Å; C417-I421 WeakPolarHBondContact O-CG1 3.3Å; C417-I421 PolarHBondContact O-N 2.97Å; A418-I421 PolarHBondContact O-N 2.87Å; I421-Y424 PolarHBondContact O-N 3.27Å; I421-G425 PolarHBondContact O-N 3.01Å
422R97.4Very high95.3Very high48 Ų4824.4 Ų24.418%0.18113%0.13CC..Hα-helixtrans-57.4-49.8173.6179.7-156.9176.1-99.53.5111.5E73 A79 L104 A418 W419 M420 G425 L426 I462E73-R422 VanDerWaalsContact O-CD 3.24Å; E73-R422 WeakPolarHBondContact O-CD 3.43Å; E73-R422 PolarHBondContact O-NE 3.03Å; A79-R422 HydrophobicContact CB-CG 3.9Å; L104-R422 HydrophobicContact CD1-CB 4.35Å; L104-R422 HydrophobicContact CD2-CB 3.64Å; L104-R422 HydrophobicContact CD2-CG 3.83Å; A418-R422 WeakPolarHBondContact O-CB 3.05Å; A418-R422 PolarHBondContact O-N 2.92Å; W419-R422 WeakPolarHBondContact O-CB 3.24Å; W419-R422 PolarHBondContact O-N 2.93Å; M420-R422 VanDerWaalsContact C-N 3.33Å; M420-R422 PolarHBondContact O-N 3.2Å; R422-G425 PolarHBondContact O-N 3.14Å; R422-L426 HydrophobicContact CG-CD1 3.95Å; R422-L426 WeakPolarHBondContact O-CB 3.48Å; R422-L426 VanDerWaalsContact O-CG 3.28Å; R422-L426 WeakPolarHBondContact O-CG 3.35Å; R422-L426 PolarHBondContact O-N 2.99Å; R422-I462 HydrophobicContact CB-CD1 4.48Å
423N95.8Very high95.2Very high8 Ų828.3 Ų28.34%0.04315%0.148CC..Hα-helixtrans-70.1-35.4-175.7-68.1-7.9000111.7W419 M420 A427 M429 V434 E437W419-N423 PolarHBondContact NE1-ND2 3.26Å; W419-N423 VanDerWaalsContact NE1-ND2 3.12Å; W419-N423 VanDerWaalsContact O-CG 3.28Å; W419-N423 PolarHBondContact O-N 2.85Å; M420-N423 PolarHBondContact O-N 3.42Å; N423-A427 PolarHBondContact O-N 2.85Å; N423-M429 HydrophobicContact CB-SD 3.83Å; N423-V434 HydrophobicContact CB-CG2 4.07Å; N423-E437 PolarHBondContact ND2-OE2 2.85Å
424Y95.4Very high95.1Very high11 Ų1128.4 Ų28.44%0.04315%0.148CC..Hα-helixtrans-60.1-53.2168.9173-125.6000112.4L83 V214 F379 L388 M420 I421 L426 A427 I431L83-Y424 HydrophobicContact CD1-CD1 4.1Å; L83-Y424 HydrophobicContact CD2-CD1 4.13Å; L83-Y424 HydrophobicContact CD2-CE1 3.83Å; V214-Y424 HydrophobicContact CG2-CD1 4.27Å; V214-Y424 HydrophobicContact CG2-CE1 4.03Å; F379-Y424 AromaticContact CE2-CE2 3.76Å; F379-Y424 HydrophobicContact CE2-CE2 3.76Å; L388-Y424 HydrophobicContact CB-CD1 4.1Å; L388-Y424 HydrophobicContact CB-CE1 3.96Å; L388-Y424 HydrophobicContact CD2-CD1 3.51Å; L388-Y424 HydrophobicContact CD2-CE1 4.23Å; L388-Y424 HydrophobicContact CD2-CG 3.76Å; L388-Y424 HydrophobicContact CG-CD1 4.46Å; M420-Y424 WeakPolarHBondContact O-CB 3.46Å; M420-Y424 PolarHBondContact O-N 3.24Å; I421-Y424 PolarHBondContact O-N 3.27Å; Y424-L426 VanDerWaalsContact C-N 3.34Å; Y424-L426 PolarHBondContact O-N 2.99Å; Y424-A427 PolarHBondContact O-N 3.01Å; Y424-A427 VanDerWaalsContact O-N 3.07Å; Y424-I431 HydrophobicContact CD2-CD1 4Å; Y424-I431 HydrophobicContact CE2-CD1 4.46Å
425G94.1Very high95Very high25 Ų2528.4 Ų28.426%0.25815%0.148SC..Hα-helixtrans-70.2-26-17700000114.8A79 I421 R422 A427A79-G425 CarbonylContact O-C 3.54Å; A79-G425 VanDerWaalsContact O-C 3.26Å; A79-G425 WeakPolarHBondContact O-CA 3.41Å; I421-G425 PolarHBondContact O-N 3.01Å; R422-G425 PolarHBondContact O-N 3.14Å; G425-A427 VanDerWaalsContact C-N 3.3Å
426L93.2Very high94.9Very high46 Ų4628.3 Ų28.324%0.24115%0.148CC..Hα-helixtrans-74.6-17170.3-72.9174.9000113.6A75 A79 R422 Y424 K428A75-L426 HydrophobicContact CB-CD2 4.43Å; A79-L426 HydrophobicContact CB-CD1 4.42Å; A79-L426 HydrophobicContact CB-CD2 3.98Å; A79-L426 HydrophobicContact CB-CG 3.91Å; R422-L426 HydrophobicContact CG-CD1 3.95Å; R422-L426 WeakPolarHBondContact O-CB 3.48Å; R422-L426 VanDerWaalsContact O-CG 3.28Å; R422-L426 WeakPolarHBondContact O-CG 3.35Å; R422-L426 PolarHBondContact O-N 2.99Å; Y424-L426 VanDerWaalsContact C-N 3.34Å; Y424-L426 PolarHBondContact O-N 2.99Å; L426-K428 HydrophobicContact CB-CG 4.31Å; L426-K428 WeakPolarHBondContact O-CG 3.44Å; L426-K428 PolarHBondContact O-N 3.04Å
427A89.2Confident94.9Very high59 Ų5930 Ų3049%0.48816%0.156SC..THydrogen-bonded Turntrans5030.7178.300000115.5N423 Y424 G425N423-A427 PolarHBondContact O-N 2.85Å; Y424-A427 PolarHBondContact O-N 3.01Å; Y424-A427 VanDerWaalsContact O-N 3.07Å; G425-A427 VanDerWaalsContact C-N 3.3Å
428K88.3Confident94.8Very high174 Ų17430.2 Ų30.276%0.75716%0.157SC*.  trans-90.2-5.2179.4-64.9-171.5179.7-172.20114.3L426L426-K428 HydrophobicContact CB-CG 4.31Å; L426-K428 WeakPolarHBondContact O-CG 3.44Å; L426-K428 PolarHBondContact O-N 3.04Å
429M89Confident94.7Very high60 Ų6030.9 Ų30.930%0.29616%0.16SC..SBendtrans-136.1149.4-173.6-51.6173.575.500107.1N423 E433 V434N423-M429 HydrophobicContact CB-SD 3.83Å; M429-E433 HydrophobicContact CB-CB 4.32Å; M429-E433 HydrophobicContact CE-CB 4.27Å; M429-V434 HydrophobicContact CB-CG2 3.88Å; M429-V434 HydrophobicContact SD-CG2 4.33Å
430S90.5Very high94.6Very high14 Ų1430 Ų3010%0.09816%0.157CC..  trans-65.3155.4168.4680000110.5L432 E433 V434S430-L432 PolarHBondContact O-N 3.45Å; S430-E433 VanDerWaalsContact CB-OE2 3.31Å; S430-E433 WeakPolarHBondContact CB-OE2 3.42Å; S430-E433 PolarHBondContact N-OE2 3.11Å; S430-E433 WeakPolarHBondContact O-CB 3.29Å; S430-E433 PolarHBondContact O-N 3.08Å; S430-E433 VanDerWaalsContact O-N 3.11Å; S430-E433 VanDerWaalsContact OG-CD 3.3Å; S430-E433 VanDerWaalsContact OG-CG 3.28Å; S430-E433 WeakPolarHBondContact OG-CG 3.49Å; S430-E433 PolarHBondContact OG-N 2.89Å; S430-E433 PolarHBondContact OG-OE2 3.15Å; S430-V434 PolarHBondContact O-N 2.86Å; S430-V434 VanDerWaalsContact O-N 3.13Å
431I93.5Very high94.5Very high7 Ų730 Ų304%0.03616%0.158CC..Hα-helixtrans-62-35-178.4-168.957.5000112.1F379 L388 Y424 E433 V434 L435 F484 G494F379-I431 HydrophobicContact CB-CD1 4.41Å; F379-I431 HydrophobicContact CB-CG1 3.89Å; F379-I431 HydrophobicContact CD1-CG1 4.07Å; F379-I431 HydrophobicContact CD2-CD1 3.5Å; F379-I431 HydrophobicContact CD2-CG1 3.51Å; F379-I431 HydrophobicContact CE1-CG1 4.38Å; F379-I431 HydrophobicContact CE2-CD1 3.82Å; F379-I431 HydrophobicContact CE2-CG1 3.87Å; F379-I431 HydrophobicContact CG-CD1 4.07Å; F379-I431 HydrophobicContact CG-CG1 3.57Å; F379-I431 HydrophobicContact CZ-CG1 4.26Å; L388-I431 HydrophobicContact CD1-CD1 4.5Å; Y424-I431 HydrophobicContact CD2-CD1 4Å; Y424-I431 HydrophobicContact CE2-CD1 4.46Å; I431-E433 VanDerWaalsContact C-N 3.33Å; I431-E433 PolarHBondContact O-N 3.28Å; I431-V434 HydrophobicContact CD1-CB 4.45Å; I431-V434 PolarHBondContact O-N 2.98Å; I431-L435 HydrophobicContact CG1-CD1 4.37Å; I431-L435 HydrophobicContact CG1-CG 4.45Å; I431-L435 VanDerWaalsContact O-CG 3.28Å; I431-L435 WeakPolarHBondContact O-CG 3.44Å; I431-L435 PolarHBondContact O-N 3.39Å; I431-F484 HydrophobicContact CG2-CD2 3.6Å; I431-F484 HydrophobicContact CG2-CE2 3.62Å; I431-G494 WeakPolarHBondContact CG2-O 3.44Å; I431-G494 PolarHBondContact N-O 3.13Å
432L94.2Very high94.3Very high30 Ų3031.1 Ų31.116%0.15716%0.162CC..Hα-helixtrans-66.9-33.3177.6-64.6174000112S430 A436 P477 V480 E481 F484S430-L432 PolarHBondContact O-N 3.45Å; L432-A436 WeakPolarHBondContact O-CB 3.17Å; L432-A436 PolarHBondContact O-N 3.44Å; L432-P477 HydrophobicContact CB-CB 3.75Å; L432-V480 WeakPolarHBondContact O-CG2 3.26Å; L432-E481 HydrophobicContact CD1-CG 4.45Å; L432-F484 HydrophobicContact CD2-CB 3.69Å; L432-F484 HydrophobicContact CD2-CG 4.18Å
433E94.9Very high94.1Very high82 Ų8233.4 Ų33.438%0.38317%0.173SC..Hα-helixtrans-68-41.1171.6-70.8165.412100111.8M429 S430 I431 A436 E437 P477M429-E433 HydrophobicContact CB-CB 4.32Å; M429-E433 HydrophobicContact CE-CB 4.27Å; S430-E433 VanDerWaalsContact CB-OE2 3.31Å; S430-E433 WeakPolarHBondContact CB-OE2 3.42Å; S430-E433 PolarHBondContact N-OE2 3.11Å; S430-E433 WeakPolarHBondContact O-CB 3.29Å; S430-E433 PolarHBondContact O-N 3.08Å; S430-E433 VanDerWaalsContact O-N 3.11Å; S430-E433 VanDerWaalsContact OG-CD 3.3Å; S430-E433 VanDerWaalsContact OG-CG 3.28Å; S430-E433 WeakPolarHBondContact OG-CG 3.49Å; S430-E433 PolarHBondContact OG-N 2.89Å; S430-E433 PolarHBondContact OG-OE2 3.15Å; I431-E433 VanDerWaalsContact C-N 3.33Å; I431-E433 PolarHBondContact O-N 3.28Å; E433-A436 PolarHBondContact O-N 2.91Å; E433-E437 WeakPolarHBondContact O-CB 3.4Å; E433-E437 PolarHBondContact O-N 3.21Å; E433-P477 HydrophobicContact CG-CG 3.66Å
434V95.8Very high93.9Very high1 Ų135.8 Ų35.81%0.00619%0.185CC..Hα-helixtrans-61.8-43.6175.7173.40000111.3M420 N423 M429 S430 I431 R438M420-V434 HydrophobicContact CB-CG1 4.42Å; M420-V434 HydrophobicContact CG-CG1 3.56Å; N423-V434 HydrophobicContact CB-CG2 4.07Å; M429-V434 HydrophobicContact CB-CG2 3.88Å; M429-V434 HydrophobicContact SD-CG2 4.33Å; S430-V434 PolarHBondContact O-N 2.86Å; S430-V434 VanDerWaalsContact O-N 3.13Å; I431-V434 HydrophobicContact CD1-CB 4.45Å; I431-V434 PolarHBondContact O-N 2.98Å; V434-R438 WeakPolarHBondContact O-CB 3.48Å; V434-R438 PolarHBondContact O-N 2.7Å; V434-R438 VanDerWaalsContact O-N 3.07Å
435L96.5Very high93.7Very high0 Ų035.3 Ų35.30%018%0.183CC..Hα-helixtrans-65.9-43.5174.8-63.9172.9000111.3C377 F379 L388 I431 E437 R438 E439 V480 L483 F484C377-L435 HydrophobicContact CB-CD2 4.07Å; C377-L435 WeakPolarHBondContact SG-CD2 3.38Å; F379-L435 HydrophobicContact CB-CD1 4.09Å; L388-L435 HydrophobicContact CD1-CD2 4.43Å; I431-L435 HydrophobicContact CG1-CD1 4.37Å; I431-L435 HydrophobicContact CG1-CG 4.45Å; I431-L435 VanDerWaalsContact O-CG 3.28Å; I431-L435 WeakPolarHBondContact O-CG 3.44Å; I431-L435 PolarHBondContact O-N 3.39Å; L435-E437 PolarHBondContact O-N 2.92Å; L435-R438 PolarHBondContact O-N 2.92Å; L435-E439 WeakPolarHBondContact O-CB 3.25Å; L435-E439 WeakPolarHBondContact O-CG 3.37Å; L435-E439 PolarHBondContact O-N 3.09Å; L435-V480 HydrophobicContact CB-CB 4.4Å; L435-V480 HydrophobicContact CB-CG2 4Å; L435-L483 HydrophobicContact CD1-CB 4.25Å; L435-F484 HydrophobicContact CD1-CB 4.41Å
436A96.6Very high93.1Very high1 Ų135.5 Ų35.51%0.00818%0.183CC..Hα-helixtrans-64.8-38.7179.700000112.8L432 E433 S440 L475 V480L432-A436 WeakPolarHBondContact O-CB 3.17Å; L432-A436 PolarHBondContact O-N 3.44Å; E433-A436 PolarHBondContact O-N 2.91Å; A436-S440 VanDerWaalsContact O-CB 3.24Å; A436-S440 WeakPolarHBondContact O-CB 3.16Å; A436-S440 PolarHBondContact O-N 3.25Å; A436-S440 PolarHBondContact O-OG 3.04Å; A436-L475 HydrophobicContact CB-CB 4.18Å; A436-V480 HydrophobicContact CB-CG1 4.46Å; A436-V480 HydrophobicContact CB-CG2 3.89Å
437E96.7Very high92.7Very high40 Ų4040 Ų4019%0.18720%0.203CC..Hα-helixtrans-62.4-52.1171.7-174-174.2-150.500110.4W419 N423 E433 L435 E439 S440 V441W419-E437 VanDerWaalsContact NE1-CD 3.34Å; W419-E437 PolarHBondContact NE1-OE1 3.08Å; W419-E437 PolarHBondContact NE1-OE2 3.41Å; N423-E437 PolarHBondContact ND2-OE2 2.85Å; E433-E437 WeakPolarHBondContact O-CB 3.4Å; E433-E437 PolarHBondContact O-N 3.21Å; L435-E437 PolarHBondContact O-N 2.92Å; E437-E439 PolarHBondContact O-N 2.88Å; E437-S440 WeakPolarHBondContact O-CB 3.38Å; E437-S440 PolarHBondContact O-N 2.84Å; E437-S440 VanDerWaalsContact O-N 3.13Å; E437-V441 WeakPolarHBondContact O-CG2 3.46Å; E437-V441 PolarHBondContact O-N 2.89Å
438R97.2Very high92.7Very high4 Ų437.4 Ų37.42%0.01518%0.181CC..Hα-helixtrans-58.2-44.7-178.1177.365.5-171.293.9-4.7112.7S376 C377 D416 M420 V434 L435 V441 Y442S376-R438 WeakPolarHBondContact OG-CG 3.09Å; S376-R438 PolarHBondContact OG-NE 3.03Å; S376-R438 PolarHBondContact OG-NH1 3.44Å; S376-R438 PolarHBondContact OG-NH2 2.94Å; C377-R438 HydrophobicContact CB-CG 4.04Å; C377-R438 VanDerWaalsContact SG-CG 3.59Å; D416-R438 WeakPolarHBondContact O-CD 3.47Å; M420-R438 HydrophobicContact CB-CB 4.24Å; M420-R438 HydrophobicContact CB-CG 4.29Å; M420-R438 HydrophobicContact CG-CB 4.14Å; M420-R438 HydrophobicContact CG-CG 4.3Å; M420-R438 HydrophobicContact SD-CB 3.92Å; M420-R438 HydrophobicContact SD-CG 3.59Å; M420-R438 VanDerWaalsContact SD-CG 3.59Å; V434-R438 WeakPolarHBondContact O-CB 3.48Å; V434-R438 PolarHBondContact O-N 2.7Å; V434-R438 VanDerWaalsContact O-N 3.07Å; L435-R438 PolarHBondContact O-N 2.92Å; R438-V441 PolarHBondContact O-N 3.36Å; R438-Y442 PolarHBondContact O-N 3.27Å
439E96.6Very high92.8Very high13 Ų1329.3 Ų29.36%0.06115%0.146CC..Hα-helixtrans-73.6-29.9178.2-66.9-52.4122.700112.5N375 S376 C377 L435 E437 Y442 K443 L475 V480 L483N375-E439 VanDerWaalsContact CA-OE2 3.31Å; N375-E439 WeakPolarHBondContact CA-OE2 3.23Å; S376-E439 VanDerWaalsContact CA-OE1 3.29Å; S376-E439 WeakPolarHBondContact CA-OE1 3.34Å; S376-E439 WeakPolarHBondContact CB-OE1 3.48Å; S376-E439 VanDerWaalsContact N-CD 3.31Å; S376-E439 PolarHBondContact N-OE1 2.94Å; S376-E439 PolarHBondContact N-OE2 2.93Å; S376-E439 VanDerWaalsContact N-OE2 3.1Å; S376-E439 PolarHBondContact OG-OE1 3.29Å; C377-E439 PolarHBondContact N-OE1 2.91Å; C377-E439 PolarHBondContact SG-OE1 3.38Å; L435-E439 WeakPolarHBondContact O-CB 3.25Å; L435-E439 WeakPolarHBondContact O-CG 3.37Å; L435-E439 PolarHBondContact O-N 3.09Å; E437-E439 PolarHBondContact O-N 2.88Å; E439-Y442 PolarHBondContact O-N 3.4Å; E439-K443 PolarHBondContact O-N 2.81Å; E439-L475 HydrophobicContact CB-CD1 3.45Å; E439-L475 VanDerWaalsContact CB-CD1 3.45Å; E439-V480 HydrophobicContact CB-CG1 4.43Å; E439-V480 HydrophobicContact CG-CG1 4.38Å; E439-L483 HydrophobicContact CG-CD1 3.65Å
440S95.7Very high92.8Very high4 Ų429 Ų293%0.02815%0.148CC..Hα-helixtrans-62.6-45.3170.8-680000111.6A436 E437 T474 L475A436-S440 VanDerWaalsContact O-CB 3.24Å; A436-S440 WeakPolarHBondContact O-CB 3.16Å; A436-S440 PolarHBondContact O-N 3.25Å; A436-S440 PolarHBondContact O-OG 3.04Å; E437-S440 WeakPolarHBondContact O-CB 3.38Å; E437-S440 PolarHBondContact O-N 2.84Å; E437-S440 VanDerWaalsContact O-N 3.13Å; S440-T474 PolarHBondContact OG-N 3.03Å; S440-L475 PolarHBondContact OG-N 3Å
441V95.7Very high92.7Very high4 Ų431.5 Ų31.52%0.02416%0.158CC..Hα-helixtrans-67.4-38.2176.4-178.30000111.1D416 E437 R438 K443 L444 P464 Y468 V471D416-V441 HydrophobicContact CB-CG1 4.1Å; D416-V441 WeakPolarHBondContact OD1-CG1 3.32Å; D416-V441 WeakPolarHBondContact OD2-CG1 3.49Å; E437-V441 WeakPolarHBondContact O-CG2 3.46Å; E437-V441 PolarHBondContact O-N 2.89Å; R438-V441 PolarHBondContact O-N 3.36Å; V441-K443 PolarHBondContact O-N 3.33Å; V441-L444 WeakPolarHBondContact O-CB 3.41Å; V441-L444 PolarHBondContact O-N 3.07Å; V441-P464 HydrophobicContact CG1-CB 4.19Å; V441-P464 HydrophobicContact CG1-CG 4.32Å; V441-P464 HydrophobicContact CG2-CB 4.02Å; V441-P464 HydrophobicContact CG2-CG 3.94Å; V441-Y468 HydrophobicContact CG1-CD2 4.08Å; V441-Y468 HydrophobicContact CG1-CE2 3.47Å; V441-Y468 VanDerWaalsContact CG1-CE2 3.47Å; V441-V471 HydrophobicContact CG2-CG2 3.88Å
442Y95Very high92.6Very high23 Ų2333.4 Ų33.49%0.0917%0.17CC..Hα-helixtrans-55-38179.1179.4-140.1000113.2A373 L396 R438 E439 L444 L445A373-Y442 PolarHBondContact N-OH 2.91Å; A373-Y442 PolarHBondContact O-OH 3.37Å; L396-Y442 HydrophobicContact CD1-CD2 3.9Å; L396-Y442 HydrophobicContact CD1-CE1 4.22Å; L396-Y442 HydrophobicContact CD1-CE2 3.37Å; L396-Y442 HydrophobicContact CD2-CD2 4.33Å; L396-Y442 HydrophobicContact CD2-CE2 4.15Å; L396-Y442 HydrophobicContact CG-CD2 4.29Å; L396-Y442 HydrophobicContact CG-CE2 3.66Å; L396-Y442 PolarHBondContact O-OH 2.84Å; R438-Y442 PolarHBondContact O-N 3.27Å; E439-Y442 PolarHBondContact O-N 3.4Å; Y442-L444 PolarHBondContact O-N 3.42Å; Y442-L445 HydrophobicContact CD2-CB 4.22Å; Y442-L445 HydrophobicContact CD2-CD2 4.11Å; Y442-L445 HydrophobicContact CE2-CD2 4.15Å; Y442-L445 VanDerWaalsContact O-CB 3.31Å; Y442-L445 WeakPolarHBondContact O-CB 3.49Å; Y442-L445 PolarHBondContact O-N 3.45Å
443K91.7Very high92.5Very high96 Ų9632.3 Ų32.342%0.41717%0.165SC..Hα-helixtrans-55.7-26.1177.1-64.6172.3-169174.70113.8E439 V441 T474 L475E439-K443 PolarHBondContact O-N 2.81Å; V441-K443 PolarHBondContact O-N 3.33Å; K443-T474 PolarHBondContact NZ-OG1 3.1Å; K443-L475 VanDerWaalsContact NZ-CG 3.28Å
444L91.9Very high92.5Very high57 Ų5732.2 Ų32.230%0.29816%0.164SC..Hα-helixtrans-80.8-24.1-179.9-53.6179.3000112.7V441 Y442 A446 Q447 S448 Y468 V471V441-L444 WeakPolarHBondContact O-CB 3.41Å; V441-L444 PolarHBondContact O-N 3.07Å; Y442-L444 PolarHBondContact O-N 3.42Å; L444-A446 PolarHBondContact O-N 3.37Å; L444-Q447 PolarHBondContact O-N 3.47Å; L444-S448 PolarHBondContact O-N 2.89Å; L444-S448 VanDerWaalsContact O-N 3.16Å; L444-S448 PolarHBondContact O-OG 2.94Å; L444-Y468 HydrophobicContact CB-CD1 4.34Å; L444-Y468 HydrophobicContact CB-CE1 4.35Å; L444-Y468 HydrophobicContact CD1-CD1 4.34Å; L444-Y468 HydrophobicContact CD1-CD2 4.33Å; L444-Y468 HydrophobicContact CD1-CG 4.01Å; L444-V471 HydrophobicContact CD1-CB 4.22Å; L444-V471 HydrophobicContact CD1-CG2 4.26Å
445L91.3Very high92.3Very high1 Ų142.9 Ų42.91%0.00520%0.204CC..Hα-helixtrans-63.2-45.4-167.2-172.463.8000113.2L396 R409 L412 Y442 Q447 S448L396-L445 HydrophobicContact CD2-CD2 3.63Å; L396-L445 HydrophobicContact CG-CD2 4.3Å; R409-L445 HydrophobicContact CB-CD1 4.16Å; R409-L445 HydrophobicContact CB-CG 4.41Å; R409-L445 HydrophobicContact CG-CD1 4.48Å; R409-L445 WeakPolarHBondContact O-CD1 3.25Å; L412-L445 HydrophobicContact CB-CD1 3.54Å; L412-L445 HydrophobicContact CD1-CD1 4.19Å; Y442-L445 HydrophobicContact CD2-CB 4.22Å; Y442-L445 HydrophobicContact CD2-CD2 4.11Å; Y442-L445 HydrophobicContact CE2-CD2 4.15Å; Y442-L445 VanDerWaalsContact O-CB 3.31Å; Y442-L445 WeakPolarHBondContact O-CB 3.49Å; Y442-L445 PolarHBondContact O-N 3.45Å; L445-Q447 PolarHBondContact O-N 2.92Å; L445-S448 WeakPolarHBondContact O-CB 3.38Å; L445-S448 PolarHBondContact O-N 3.26Å
446A82.2Confident92.2Very high30 Ų3047.1 Ų47.125%0.24823%0.227CC..THydrogen-bonded Turntrans-67.2-21.6-178.900000113.6H397 R409 L444H397-A446 WeakPolarHBondContact NE2-CB 3.29Å; R409-A446 PolarHBondContact NH1-O 3.41Å; R409-A446 PolarHBondContact NH2-O 3.46Å; L444-A446 PolarHBondContact O-N 3.37Å
447Q84Confident92.1Very high141 Ų14149.8 Ų49.866%0.65924%0.241SC*.THydrogen-bonded Turntrans-100.1-2.9179.6-59.4-177.729.600113L444 L445L444-Q447 PolarHBondContact O-N 3.47Å; L445-Q447 PolarHBondContact O-N 2.92Å
448S89.8Confident91.9Very high4 Ų455.8 Ų55.83%0.02827%0.266CS..  trans-71.6137.4-178.6-64.30000111.4W126 R409 L444 L445 Y468W126-S448 WeakPolarHBondContact CH2-O 3.29Å; R409-S448 PolarHBondContact NE-O 3.28Å; R409-S448 PolarHBondContact NH2-O 3.24Å; L444-S448 PolarHBondContact O-N 2.89Å; L444-S448 VanDerWaalsContact O-N 3.16Å; L444-S448 PolarHBondContact O-OG 2.94Å; L445-S448 WeakPolarHBondContact O-CB 3.38Å; L445-S448 PolarHBondContact O-N 3.26Å; S448-Y468 WeakPolarHBondContact OG-CE1 3.08Å
449T89.8Confident91.7Very high4 Ų457 Ų573%0.02528%0.28CS..  trans-146161.2-178.980.90000108.5E451 T452 L453 E721T449-E451 VanDerWaalsContact CB-OE2 3.24Å; T449-E451 WeakPolarHBondContact CB-OE2 3.34Å; T449-E451 PolarHBondContact O-N 3.17Å; T449-E451 VanDerWaalsContact O-N 3.13Å; T449-E451 PolarHBondContact OG1-N 2.97Å; T449-E451 PolarHBondContact OG1-OE2 3.13Å; T449-T452 PolarHBondContact N-OG1 3.28Å; T449-T452 PolarHBondContact O-N 3.4Å; T449-T452 PolarHBondContact O-OG1 2.9Å; T449-T452 VanDerWaalsContact O-OG1 3.05Å; T449-T452 PolarHBondContact OG1-N 3.01Å; T449-T452 PolarHBondContact OG1-OG1 3.36Å; T449-L453 WeakPolarHBondContact O-CD1 3.4Å; T449-L453 VanDerWaalsContact O-CG 3.28Å; T449-L453 WeakPolarHBondContact O-CG 3.26Å; T449-L453 PolarHBondContact O-N 2.99Å; T449-E721 WeakPolarHBondContact CB-OE1 3.41Å; T449-E721 WeakPolarHBondContact CG2-OE1 3.49Å
450P89.2Confident91.8Very high52 Ų5257.3 Ų57.334%0.33828%0.281SS..THydrogen-bonded Turntrans-55.5-29.2177.1-24.734.5000114.5W126W126-P450 HydrophobicContact CD2-CG 3.7Å; W126-P450 HydrophobicContact CE3-CG 3.88Å; W126-P450 HydrophobicContact CG-CG 4.07Å; W126-P450 HydrophobicContact CZ2-CG 4.45Å; W126-P450 HydrophobicContact CZ3-CG 4.38Å
451E89.2Confident91.9Very high67 Ų6757.7 Ų57.731%0.31328%0.283SS..THydrogen-bonded Turntrans-85.8-22.7-177-51.167.3-145.900113.2T449T449-E451 VanDerWaalsContact CB-OE2 3.24Å; T449-E451 WeakPolarHBondContact CB-OE2 3.34Å; T449-E451 PolarHBondContact O-N 3.17Å; T449-E451 VanDerWaalsContact O-N 3.13Å; T449-E451 PolarHBondContact OG1-N 2.97Å; T449-E451 PolarHBondContact OG1-OE2 3.13Å
452T90.4Very high92Very high47 Ų4757.5 Ų57.529%0.28828%0.282SS..THydrogen-bonded Turntrans-93.6-20.6-178.749.70000113.2T449 P469T449-T452 PolarHBondContact N-OG1 3.28Å; T449-T452 PolarHBondContact O-N 3.4Å; T449-T452 PolarHBondContact O-OG1 2.9Å; T449-T452 VanDerWaalsContact O-OG1 3.05Å; T449-T452 PolarHBondContact OG1-N 3.01Å; T449-T452 PolarHBondContact OG1-OG1 3.36Å; T452-P469 WeakPolarHBondContact O-CD 3.39Å
453L93.2Very high92.1Very high7 Ų757.9 Ų57.94%0.03729%0.286CS..SBendtrans-79.6166.2174.3-65167.3000112.2W126 F128 L412 T449 Y460 Y468W126-L453 HydrophobicContact CE3-CD1 4.16Å; W126-L453 HydrophobicContact CZ3-CD1 3.95Å; F128-L453 HydrophobicContact CD1-CD1 4.31Å; F128-L453 HydrophobicContact CE1-CD1 4.21Å; L412-L453 HydrophobicContact CD1-CD1 4.03Å; L412-L453 HydrophobicContact CD1-CD2 4.17Å; L412-L453 HydrophobicContact CD2-CD2 4.39Å; T449-L453 WeakPolarHBondContact O-CD1 3.4Å; T449-L453 VanDerWaalsContact O-CG 3.28Å; T449-L453 WeakPolarHBondContact O-CG 3.26Å; T449-L453 PolarHBondContact O-N 2.99Å; L453-Y460 WeakPolarHBondContact CB-OH 3.15Å; L453-Y468 HydrophobicContact CD2-CD1 3.6Å; L453-Y468 HydrophobicContact CD2-CE1 3.71Å
454H93.2Very high92.3Very high81 Ų8153.5 Ų53.538%0.37527%0.267SS..  trans-69.4138.4-178.5-169.3-110000112.1N456 Y460 R467 P469H454-N456 PolarHBondContact ND1-N 3.43Å; H454-N456 PolarHBondContact O-N 2.88Å; H454-Y460 HydrophobicContact CB-CE1 4.1Å; H454-Y460 VanDerWaalsContact O-CE1 3.22Å; H454-Y460 WeakPolarHBondContact O-CE1 3.24Å; H454-Y460 PolarHBondContact O-OH 3.32Å; H454-R467 PolarHBondContact N-O 3.47Å; H454-P469 HydrophobicContact CB-CG 4.05Å
455R93Very high92.5Very high225 Ų22557.9 Ų57.985%0.84928%0.284SS*.SBendtrans-76.9-20.2-172.7-66.9-174.4179.1-170.4-0.1114.8L457R455-L457 VanDerWaalsContact C-N 3.3Å; R455-L457 PolarHBondContact O-N 3.34Å
456N94.1Very high92.7Very high88 Ų8858.8 Ų58.847%0.47129%0.29SS..  trans-79.276.5177.7-176.411.9000111.2H454 K458 G459 Y460H454-N456 PolarHBondContact ND1-N 3.43Å; H454-N456 PolarHBondContact O-N 2.88Å; N456-K458 PolarHBondContact O-N 3.01Å; N456-G459 PolarHBondContact O-N 3.08Å; N456-G459 PolarHBondContact OD1-N 3.12Å; N456-Y460 VanDerWaalsContact O-CD1 3.27Å; N456-Y460 WeakPolarHBondContact O-CD1 3.36Å
457L93.7Very high93.4Very high58 Ų5857.3 Ų57.330%0.30428%0.278SS..G310 helixtrans-58.4-31.7-176.3-46.2-177.3000113P127 F128 R455 G459 Y460P127-L457 HydrophobicContact CB-CD1 3.54Å; F128-L457 HydrophobicContact CB-CD2 4.06Å; R455-L457 VanDerWaalsContact C-N 3.3Å; R455-L457 PolarHBondContact O-N 3.34Å; L457-G459 VanDerWaalsContact C-N 3.29Å; L457-G459 PolarHBondContact O-N 3.16Å; L457-Y460 HydrophobicContact CD2-CE1 4.37Å; L457-Y460 PolarHBondContact O-N 2.77Å
458K92.8Very high93.9Very high165 Ų16551.1 Ų51.172%0.71725%0.249SC*.G310 helixtrans-73.7-20.1178.5-68.1-171.1174179.30113.6E131 N456E131-K458 HydrophobicContact CG-CG 4.04Å; E131-K458 VanDerWaalsContact OE1-CE 3.27Å; E131-K458 WeakPolarHBondContact OE1-CE 3.35Å; E131-K458 WeakPolarHBondContact OE1-CG 3.27Å; N456-K458 PolarHBondContact O-N 3.01Å
459G94.1Very high93.9Very high30 Ų3054.3 Ų54.331%0.30927%0.27SS..G310 helixtrans-92.15.6177.500000113.9N456 L457 S466N456-G459 PolarHBondContact O-N 3.08Å; N456-G459 PolarHBondContact OD1-N 3.12Å; L457-G459 VanDerWaalsContact C-N 3.29Å; L457-G459 PolarHBondContact O-N 3.16Å; G459-S466 WeakPolarHBondContact O-CB 3.33Å
460Y97.3Very high93.5Very high19 Ų1958.1 Ų58.18%0.07530%0.296CS..  trans-69.9129.8178.3-8025.3000110.7F128 L453 H454 N456 L457 S466 R467F128-Y460 HydrophobicContact CB-CD2 3.75Å; F128-Y460 HydrophobicContact CB-CE2 3.41Å; F128-Y460 VanDerWaalsContact CB-CE2 3.41Å; F128-Y460 HydrophobicContact CD1-CE2 4.13Å; F128-Y460 AromaticContact CD2-CD2 3.78Å; F128-Y460 HydrophobicContact CD2-CD2 3.78Å; F128-Y460 AromaticContact CD2-CE2 3.84Å; F128-Y460 HydrophobicContact CD2-CE2 3.84Å; F128-Y460 AromaticContact CG-CD2 3.91Å; F128-Y460 HydrophobicContact CG-CD2 3.91Å; F128-Y460 AromaticContact CG-CE2 3.53Å; F128-Y460 HydrophobicContact CG-CE2 3.53Å; L453-Y460 WeakPolarHBondContact CB-OH 3.15Å; H454-Y460 HydrophobicContact CB-CE1 4.1Å; H454-Y460 VanDerWaalsContact O-CE1 3.22Å; H454-Y460 WeakPolarHBondContact O-CE1 3.24Å; H454-Y460 PolarHBondContact O-OH 3.32Å; N456-Y460 VanDerWaalsContact O-CD1 3.27Å; N456-Y460 WeakPolarHBondContact O-CD1 3.36Å; L457-Y460 HydrophobicContact CD2-CE1 4.37Å; L457-Y460 PolarHBondContact O-N 2.77Å; Y460-S466 WeakPolarHBondContact CD1-O 3.46Å; Y460-R467 HydrophobicContact CD1-CG 4.2Å; Y460-R467 HydrophobicContact CD2-CG 3.64Å; Y460-R467 HydrophobicContact CE2-CB 4.43Å; Y460-R467 HydrophobicContact CE2-CG 3.99Å; Y460-R467 HydrophobicContact CG-CG 3.75Å
461T97.4Very high93.3Very high13 Ų1357.2 Ų57.28%0.0829%0.29CS..  trans-132.7-174.1173.573.80000109.6E73 D463 S466 R467E73-T461 WeakPolarHBondContact OE1-CB 3.49Å; E73-T461 WeakPolarHBondContact OE1-CG2 3.23Å; E73-T461 PolarHBondContact OE1-OG1 2.92Å; T461-D463 PolarHBondContact O-N 2.91Å; T461-D463 PolarHBondContact OG1-N 2.76Å; T461-S466 PolarHBondContact N-OG 3.48Å; T461-S466 PolarHBondContact O-OG 2.86Å; T461-R467 WeakPolarHBondContact O-CD 3.45Å; T461-R467 PolarHBondContact O-NE 2.7Å
462I97.9Very high93Very high0 Ų061.1 Ų61.10%031%0.308CS..SBendtrans-67-22.9173.655.4167.8000112.9E73 Y74 E100 L104 F415 A418 W419 R422 P464 R467E73-I462 HydrophobicContact CB-CD1 3.98Å; E73-I462 HydrophobicContact CB-CG1 3.62Å; E73-I462 HydrophobicContact CG-CG1 4.26Å; Y74-I462 HydrophobicContact CD1-CD1 4.28Å; Y74-I462 HydrophobicContact CE1-CD1 4.05Å; Y74-I462 HydrophobicContact CE1-CG1 4.48Å; Y74-I462 HydrophobicContact CE1-CG2 4.38Å; E100-I462 HydrophobicContact CG-CG2 4.34Å; E100-I462 WeakPolarHBondContact OE2-CG2 3.15Å; L104-I462 HydrophobicContact CD2-CD1 4.03Å; F415-I462 HydrophobicContact CB-CG2 4.48Å; F415-I462 HydrophobicContact CD1-CG2 4.33Å; A418-I462 HydrophobicContact CB-CB 4.33Å; A418-I462 HydrophobicContact CB-CG2 3.77Å; W419-I462 HydrophobicContact CE3-CD1 4.22Å; W419-I462 HydrophobicContact CE3-CG1 4.01Å; W419-I462 HydrophobicContact CZ3-CG1 4.49Å; R422-I462 HydrophobicContact CB-CD1 4.48Å; I462-P464 VanDerWaalsContact O-CD 3.28Å; I462-P464 WeakPolarHBondContact O-CD 3.4Å; I462-R467 PolarHBondContact O-NH2 3.47Å
463D97Very high92.6Very high31 Ų3162.9 Ų62.917%0.16632%0.321CS..SBendtrans-60.9119.6174.4-173.7-26.5000109.9E73 W419 T461 K465 S466E73-D463 HydrophobicContact CG-CB 4.37Å; W419-D463 HydrophobicContact CE3-CB 4.17Å; W419-D463 HydrophobicContact CH2-CB 3.85Å; W419-D463 HydrophobicContact CZ2-CB 4.42Å; W419-D463 HydrophobicContact CZ3-CB 3.72Å; T461-D463 PolarHBondContact O-N 2.91Å; T461-D463 PolarHBondContact OG1-N 2.76Å; D463-K465 PolarHBondContact O-N 3.49Å; D463-K465 VanDerWaalsContact O-N 3.11Å; D463-K465 VanDerWaalsContact OD1-CB 3.24Å; D463-K465 WeakPolarHBondContact OD1-CB 3.26Å; D463-K465 WeakPolarHBondContact OD1-CG 3.14Å; D463-K465 PolarHBondContact OD1-N 2.74Å; D463-S466 WeakPolarHBondContact O-CB 3.43Å; D463-S466 PolarHBondContact O-N 2.78Å; D463-S466 VanDerWaalsContact O-N 3.08Å; D463-S466 PolarHBondContact O-OG 3.45Å
464P96.9Very high92.2Very high4 Ų466.3 Ų66.33%0.02634%0.343CS..G310 helixtrans-51.5-31.2176.1-28.536.9000114.2W419 V441 I462 S466 R467 Y468 V471W419-P464 HydrophobicContact CG-CG 4.16Å; V441-P464 HydrophobicContact CG1-CB 4.19Å; V441-P464 HydrophobicContact CG1-CG 4.32Å; V441-P464 HydrophobicContact CG2-CB 4.02Å; V441-P464 HydrophobicContact CG2-CG 3.94Å; I462-P464 VanDerWaalsContact O-CD 3.28Å; I462-P464 WeakPolarHBondContact O-CD 3.4Å; P464-S466 VanDerWaalsContact C-N 3.26Å; P464-S466 PolarHBondContact O-N 3.08Å; P464-R467 PolarHBondContact O-N 2.82Å; P464-R467 VanDerWaalsContact O-N 3.08Å; P464-Y468 HydrophobicContact CB-CD2 3.93Å; P464-Y468 HydrophobicContact CB-CE2 4.3Å; P464-Y468 WeakPolarHBondContact O-CD2 3.3Å; P464-Y468 PolarHBondContact O-N 3.3Å; P464-V471 HydrophobicContact CB-CG1 4.34Å; P464-V471 HydrophobicContact CB-CG2 4.05Å
465K95.3Very high92.2Very high148 Ų14863.9 Ų63.964%0.64333%0.332SS*.G310 helixtrans-64.4-28.4-179.9-63.5168-176.3167.60112.9D463 R467 V471D463-K465 PolarHBondContact O-N 3.49Å; D463-K465 VanDerWaalsContact O-N 3.11Å; D463-K465 VanDerWaalsContact OD1-CB 3.24Å; D463-K465 WeakPolarHBondContact OD1-CB 3.26Å; D463-K465 WeakPolarHBondContact OD1-CG 3.14Å; D463-K465 PolarHBondContact OD1-N 2.74Å; K465-R467 PolarHBondContact O-N 3.46Å; K465-V471 HydrophobicContact CB-CG1 4.18Å; K465-V471 HydrophobicContact CG-CG1 3.6Å
466S96.3Very high92.2Very high20 Ų2058.4 Ų58.414%0.1432%0.319CS..G310 helixtrans-70.2-18.6176.270.50000113.2G459 Y460 T461 D463 P464G459-S466 WeakPolarHBondContact O-CB 3.33Å; Y460-S466 WeakPolarHBondContact CD1-O 3.46Å; T461-S466 PolarHBondContact N-OG 3.48Å; T461-S466 PolarHBondContact O-OG 2.86Å; D463-S466 WeakPolarHBondContact O-CB 3.43Å; D463-S466 PolarHBondContact O-N 2.78Å; D463-S466 VanDerWaalsContact O-N 3.08Å; D463-S466 PolarHBondContact O-OG 3.45Å; P464-S466 VanDerWaalsContact C-N 3.26Å; P464-S466 PolarHBondContact O-N 3.08Å
467R96.8Very high92Very high0 Ų056.4 Ų56.40%031%0.311CS..THydrogen-bonded Turntrans-115.3-41.4-169.5-65.4178-74.8113.7-4.2113.1L412 F415 D416 H454 Y460 T461 I462 P464 K465L412-R467 HydrophobicContact CD2-CB 4.45Å; F415-R467 VanDerWaalsContact CB-CZ 3.4Å; D416-R467 IonicContact OD1-CZ 3.55Å; D416-R467 IonicContact OD1-NH1 3.55Å; D416-R467 PolarHBondContact OD1-NH1 2.75Å; D416-R467 IonicContact OD1-NH2 2.7Å; D416-R467 PolarHBondContact OD1-NH2 2.69Å; D416-R467 IonicContact OD2-NH1 3.48Å; H454-R467 PolarHBondContact N-O 3.47Å; Y460-R467 HydrophobicContact CD1-CG 4.2Å; Y460-R467 HydrophobicContact CD2-CG 3.64Å; Y460-R467 HydrophobicContact CE2-CB 4.43Å; Y460-R467 HydrophobicContact CE2-CG 3.99Å; Y460-R467 HydrophobicContact CG-CG 3.75Å; T461-R467 WeakPolarHBondContact O-CD 3.45Å; T461-R467 PolarHBondContact O-NE 2.7Å; I462-R467 PolarHBondContact O-NH2 3.47Å; P464-R467 PolarHBondContact O-N 2.82Å; P464-R467 VanDerWaalsContact O-N 3.08Å; K465-R467 PolarHBondContact O-N 3.46Å
468Y95.4Very high91.9Very high10 Ų1056.9 Ų56.94%0.03932%0.319CS..  trans-109.7108.2-175.8-54.2-68.5000110.6L412 D416 V441 L444 S448 L453 P464 S470 V471L412-Y468 HydrophobicContact CD1-CE1 4.41Å; L412-Y468 HydrophobicContact CD2-CE1 4.46Å; D416-Y468 WeakPolarHBondContact OD1-CE2 3.5Å; D416-Y468 PolarHBondContact OD2-OH 2.88Å; V441-Y468 HydrophobicContact CG1-CD2 4.08Å; V441-Y468 HydrophobicContact CG1-CE2 3.47Å; V441-Y468 VanDerWaalsContact CG1-CE2 3.47Å; L444-Y468 HydrophobicContact CB-CD1 4.34Å; L444-Y468 HydrophobicContact CB-CE1 4.35Å; L444-Y468 HydrophobicContact CD1-CD1 4.34Å; L444-Y468 HydrophobicContact CD1-CD2 4.33Å; L444-Y468 HydrophobicContact CD1-CG 4.01Å; S448-Y468 WeakPolarHBondContact OG-CE1 3.08Å; L453-Y468 HydrophobicContact CD2-CD1 3.6Å; L453-Y468 HydrophobicContact CD2-CE1 3.71Å; P464-Y468 HydrophobicContact CB-CD2 3.93Å; P464-Y468 HydrophobicContact CB-CE2 4.3Å; P464-Y468 WeakPolarHBondContact O-CD2 3.3Å; P464-Y468 PolarHBondContact O-N 3.3Å; Y468-S470 PolarHBondContact O-N 3.16Å; Y468-V471 PolarHBondContact O-N 3.06Å
469P89.4Confident91.9Very high72 Ų7254.3 Ų54.347%0.46831%0.31SS..THydrogen-bonded Turntrans-63.9-5.1-173.2-25.134.8000117T452 H454T452-P469 WeakPolarHBondContact O-CD 3.39Å; H454-P469 HydrophobicContact CB-CG 4.05Å
470S80.6Confident91.9Very high84 Ų8453.1 Ų53.159%0.58730%0.296SS*.THydrogen-bonded Turntrans-14642.4-177.2-49.10000110.5Y468 E472Y468-S470 PolarHBondContact O-N 3.16Å; S470-E472 PolarHBondContact O-N 3.4Å
471V85.3Confident91.7Very high33 Ų3357.7 Ų57.720%0.232%0.318CS..  trans-74.7121.417360.80000110.4V441 L444 P464 K465 Y468V441-V471 HydrophobicContact CG2-CG2 3.88Å; L444-V471 HydrophobicContact CD1-CB 4.22Å; L444-V471 HydrophobicContact CD1-CG2 4.26Å; P464-V471 HydrophobicContact CB-CG1 4.34Å; P464-V471 HydrophobicContact CB-CG2 4.05Å; K465-V471 HydrophobicContact CB-CG1 4.18Å; K465-V471 HydrophobicContact CG-CG1 3.6Å; Y468-V471 PolarHBondContact O-N 3.06Å
472E82.6Confident91.5Very high148 Ų14861.9 Ų61.969%0.69235%0.348SS*.  trans-131.2144.1173.3-66.9178.617600107.6S470 T474S470-E472 PolarHBondContact O-N 3.4Å; E472-T474 HydrophobicContact CB-CG2 4.43Å; E472-T474 PolarHBondContact O-N 2.97Å; E472-T474 VanDerWaalsContact O-N 3.12Å
473C82.2Confident91.3Very high84 Ų8462.7 Ų62.757%0.56835%0.353SS*.  trans-74.9103.5171.6-163.70000107.9
474T85.8Confident91.2Very high80 Ų8063.8 Ų63.849%0.49136%0.356SS..  trans-97.8-5.9-173.259.10000113.4S440 K443 E472S440-T474 PolarHBondContact OG-N 3.03Å; K443-T474 PolarHBondContact NZ-OG1 3.1Å; E472-T474 HydrophobicContact CB-CG2 4.43Å; E472-T474 PolarHBondContact O-N 2.97Å; E472-T474 VanDerWaalsContact O-N 3.12Å
475L92.2Very high91Very high29 Ų2966.1 Ų66.115%0.15237%0.368CS..SBendtrans-107.1137.7174.3-67.1172.4000109.7A436 E439 S440 K443 Q479 V480A436-L475 HydrophobicContact CB-CB 4.18Å; E439-L475 HydrophobicContact CB-CD1 3.45Å; E439-L475 VanDerWaalsContact CB-CD1 3.45Å; S440-L475 PolarHBondContact OG-N 3Å; K443-L475 VanDerWaalsContact NZ-CG 3.28Å; L475-Q479 HydrophobicContact CD2-CB 4.2Å; L475-V480 HydrophobicContact CD1-CG1 4.04Å
476L92.4Very high90.7Very high110 Ų11061.4 Ų61.458%0.57635%0.352SS*.  trans-82.5151.5166.3-60.8174.1000109.7S478 Q479L476-S478 PolarHBondContact O-N 3.22Å; L476-S478 VanDerWaalsContact O-N 3.14Å; L476-Q479 HydrophobicContact CB-CG 4.29Å; L476-Q479 WeakPolarHBondContact O-CB 3.5Å; L476-Q479 PolarHBondContact O-N 3.28Å
477P91.5Very high90.2Very high46 Ų4663.8 Ų63.830%0.29936%0.363SS..G310 helixtrans-49.6-37.7175.2-31.838.3000114.2L432 E433 Q479 V480L432-P477 HydrophobicContact CB-CB 3.75Å; E433-P477 HydrophobicContact CG-CG 3.66Å; P477-Q479 PolarHBondContact O-N 3.16Å; P477-V480 WeakPolarHBondContact O-CG2 3.48Å; P477-V480 PolarHBondContact O-N 2.84Å
478S91.5Very high89.3Confident69 Ų6967.4 Ų67.448%0.48338%0.38SS..G310 helixtrans-66.6-18.7177.754.90000114.7L476 V480 E481L476-S478 PolarHBondContact O-N 3.22Å; L476-S478 VanDerWaalsContact O-N 3.14Å; S478-V480 VanDerWaalsContact C-N 3.31Å; S478-E481 VanDerWaalsContact CA-OE1 3.28Å; S478-E481 WeakPolarHBondContact CA-OE1 3.22Å; S478-E481 WeakPolarHBondContact CB-OE1 3.47Å
479Q92.8Very high87.4Confident111 Ų11175.1 Ų75.152%0.51942%0.422SS..G310 helixtrans-84.3-6.5177.9-60.2-179.2-62.300113.1L475 L476 P477L475-Q479 HydrophobicContact CD2-CB 4.2Å; L476-Q479 HydrophobicContact CB-CG 4.29Å; L476-Q479 WeakPolarHBondContact O-CB 3.5Å; L476-Q479 PolarHBondContact O-N 3.28Å; P477-Q479 PolarHBondContact O-N 3.16Å
480V93.7Very high85.6Confident4 Ų476 Ų762%0.02443%0.43CS..SBendtrans-12010.9179-63.10000113.4L432 L435 A436 E439 L475 P477 S478 S482 L483L432-V480 WeakPolarHBondContact O-CG2 3.26Å; L435-V480 HydrophobicContact CB-CB 4.4Å; L435-V480 HydrophobicContact CB-CG2 4Å; A436-V480 HydrophobicContact CB-CG1 4.46Å; A436-V480 HydrophobicContact CB-CG2 3.89Å; E439-V480 HydrophobicContact CB-CG1 4.43Å; E439-V480 HydrophobicContact CG-CG1 4.38Å; L475-V480 HydrophobicContact CD1-CG1 4.04Å; P477-V480 WeakPolarHBondContact O-CG2 3.48Å; P477-V480 PolarHBondContact O-N 2.84Å; S478-V480 VanDerWaalsContact C-N 3.31Å; V480-S482 PolarHBondContact O-N 2.87Å; V480-S482 VanDerWaalsContact O-N 3.15Å; V480-L483 HydrophobicContact CB-CD1 4.13Å; V480-L483 HydrophobicContact CB-CG 4.41Å; V480-L483 HydrophobicContact CG1-CD1 4.19Å; V480-L483 WeakPolarHBondContact O-CB 3.48Å; V480-L483 PolarHBondContact O-N 3.4Å
481E92.5Very high84Confident115 Ų11575.8 Ų75.854%0.53744%0.441SS..G310 helixtrans-52.8-35175-73.4171.3-162.700112.5L432 S478 L483 F484L432-E481 HydrophobicContact CD1-CG 4.45Å; S478-E481 VanDerWaalsContact CA-OE1 3.28Å; S478-E481 WeakPolarHBondContact CA-OE1 3.22Å; S478-E481 WeakPolarHBondContact CB-OE1 3.47Å; E481-L483 PolarHBondContact O-N 3.06Å; E481-L483 VanDerWaalsContact O-N 3.13Å; E481-F484 PolarHBondContact O-N 2.74Å; E481-F484 VanDerWaalsContact O-O 3.05Å
482S93.3Very high82.3Confident101 Ų10182.8 Ų82.871%0.70647%0.471SS*.G310 helixtrans-66.8-9.4176.360.70000115V480V480-S482 PolarHBondContact O-N 2.87Å; V480-S482 VanDerWaalsContact O-N 3.15Å
483L94.8Very high80.7Confident18 Ų1882.6 Ų82.69%0.09448%0.475CS..G310 helixtrans-95.7-9.6174.5-53.6-175.5000112.4N375 R378 F379 L435 E439 V480 E481N375-L483 HydrophobicContact CB-CD1 4.13Å; N375-L483 HydrophobicContact CB-CD2 3.69Å; R378-L483 CarbonylContact C-O 3.6Å; R378-L483 WeakPolarHBondContact CA-O 3.46Å; R378-L483 HydrophobicContact CG-CB 4.5Å; R378-L483 HydrophobicContact CG-CD2 4.35Å; F379-L483 PolarHBondContact N-O 2.9Å; L435-L483 HydrophobicContact CD1-CB 4.25Å; E439-L483 HydrophobicContact CG-CD1 3.65Å; V480-L483 HydrophobicContact CB-CD1 4.13Å; V480-L483 HydrophobicContact CB-CG 4.41Å; V480-L483 HydrophobicContact CG1-CD1 4.19Å; V480-L483 WeakPolarHBondContact O-CB 3.48Å; V480-L483 PolarHBondContact O-N 3.4Å; E481-L483 PolarHBondContact O-N 3.06Å; E481-L483 VanDerWaalsContact O-N 3.13Å
484F93.1Very high79.3Confident53 Ų5379 Ų7923%0.23245%0.453CS..EExtended strand (participates in β ladder)trans-104.1127.6175.8177.3-92.5000109.8F379 I431 L432 L435 E481 T486F379-F484 HydrophobicContact CB-CD2 4.22Å; F379-F484 AromaticContact CD1-CD2 3.45Å; F379-F484 HydrophobicContact CD1-CD2 3.45Å; F379-F484 VanDerWaalsContact CD1-CD2 3.45Å; F379-F484 AromaticContact CD1-CE2 3.43Å; F379-F484 HydrophobicContact CD1-CE2 3.43Å; F379-F484 VanDerWaalsContact CD1-CE2 3.43Å; F379-F484 HydrophobicContact CE1-CD2 4.14Å; F379-F484 AromaticContact CE1-CE2 3.64Å; F379-F484 HydrophobicContact CE1-CE2 3.64Å; F379-F484 HydrophobicContact CG-CD2 4.2Å; F379-F484 WeakPolarHBondContact O-CA 3.17Å; I431-F484 HydrophobicContact CG2-CD2 3.6Å; I431-F484 HydrophobicContact CG2-CE2 3.62Å; L432-F484 HydrophobicContact CD2-CB 3.69Å; L432-F484 HydrophobicContact CD2-CG 4.18Å; L435-F484 HydrophobicContact CD1-CB 4.41Å; E481-F484 PolarHBondContact O-N 2.74Å; E481-F484 VanDerWaalsContact O-O 3.05Å; F484-T486 HydrophobicContact CE1-CG2 3.65Å; F484-T486 HydrophobicContact CZ-CG2 4.21Å
485D92.7Very high77.7Confident53 Ų5382.1 Ų82.128%0.28346%0.459SS..EExtended strand (participates in β ladder)trans-137.6114.7-171.5178.5-14.5000109.1R378 F379 L380 Q381 R382R378-D485 IonicContact NH2-OD2 3.76Å; R378-D485 PolarHBondContact NH2-OD2 3Å; F379-D485 PolarHBondContact O-N 3.43Å; L380-D485 CarbonylContact C-O 3.5Å; L380-D485 WeakPolarHBondContact CA-O 3.21Å; L380-D485 HydrophobicContact CD2-CB 3.75Å; Q381-D485 PolarHBondContact N-O 2.7Å; R382-D485 IonicContact CZ-OD1 3.99Å; R382-D485 VanDerWaalsContact CZ-OD1 3.25Å; R382-D485 PolarHBondContact NH1-O 3.4Å; R382-D485 IonicContact NH1-OD1 2.9Å; R382-D485 PolarHBondContact NH1-OD1 3.27Å; R382-D485 VanDerWaalsContact NH2-CG 3.34Å; R382-D485 IonicContact NH2-OD1 2.67Å; R382-D485 PolarHBondContact NH2-OD1 3.23Å; R382-D485 IonicContact NH2-OD2 2.75Å; R382-D485 PolarHBondContact NH2-OD2 3.46Å
486T89.2Confident75.9Confident50 Ų5081.8 Ų81.831%0.30746%0.461SS..EExtended strand (participates in β ladder)trans-132.9151-175.9-172.40000111.6Q381 F484 E488Q381-T486 WeakPolarHBondContact O-CA 3.33Å; F484-T486 HydrophobicContact CE1-CG2 3.65Å; F484-T486 HydrophobicContact CZ-CG2 4.21Å; T486-E488 PolarHBondContact OG1-N 3.03Å
487D87.3Confident74Confident70 Ų7081.3 Ų81.337%0.37446%0.464SS..  trans-92.4-3.1172.561.5-17.7000113.8Q381 R382 R383Q381-D487 PolarHBondContact O-N 2.98Å; R382-D487 VanDerWaalsContact CA-OD1 3.29Å; R382-D487 WeakPolarHBondContact CA-OD1 3.33Å; R383-D487 VanDerWaalsContact N-CG 3.35Å; R383-D487 PolarHBondContact N-OD1 2.88Å; R383-D487 PolarHBondContact N-OD2 3.15Å
488E76.1Confident72.1Confident75 Ų7580.1 Ų80.135%0.3546%0.459SS..  trans-86.2117.7-177.5-73.5165.3-145.400112.7Q381 T384 T486 S490Q381-E488 PolarHBondContact NE2-OE1 2.94Å; Q381-E488 PolarHBondContact NE2-OE2 3.42Å; T384-E488 VanDerWaalsContact CA-OE1 3.29Å; T384-E488 WeakPolarHBondContact CA-OE1 3.48Å; T384-E488 WeakPolarHBondContact CG2-OE1 3.47Å; T384-E488 PolarHBondContact N-OE1 3.1Å; T384-E488 VanDerWaalsContact N-OE1 3.1Å; T486-E488 PolarHBondContact OG1-N 3.03Å; E488-S490 VanDerWaalsContact C-N 3.3Å; E488-S490 PolarHBondContact O-N 2.68Å
489N57.6Low70.2Confident172 Ų17282.2 Ų82.292%0.9246%0.456SS*.  trans-80.656.7-179-74.4-43.3000113.6
490S50Low67.9Low91 Ų9182.6 Ų82.664%0.63646%0.462SS*.SBendtrans-159.3136171.334.40000113.3E488 E492E488-S490 VanDerWaalsContact C-N 3.3Å; E488-S490 PolarHBondContact O-N 2.68Å; S490-E492 VanDerWaalsContact C-N 3.27Å; S490-E492 PolarHBondContact O-N 3.26Å
491G47.1Very low65.5Low79 Ų7989.5 Ų89.581%0.81449%0.494SS*.  trans-78.956.8-173.400000115
492E49.4Very low63.3Low180 Ų18086.1 Ų86.184%0.84148%0.482SS*.  trans-82.7114.6168.6-65.7-159.5157.700110.4S490 G494S490-E492 VanDerWaalsContact C-N 3.27Å; S490-E492 PolarHBondContact O-N 3.26Å; E492-G494 PolarHBondContact O-N 2.91Å
493N50.1Low61.1Low144 Ų14483.7 Ų83.777%0.7746%0.463SS*.  trans-56.387.1-166.1-63.7-54.7000115.3F495N493-F495 WeakPolarHBondContact O-CD2 3.42Å; N493-F495 PolarHBondContact O-N 3.2Å
494G52.1Low59Low9 Ų988.3 Ų88.39%0.09349%0.487CS..SBendtrans59.92.1156.700000117.8I431 E492 A496I431-G494 WeakPolarHBondContact CG2-O 3.44Å; I431-G494 PolarHBondContact N-O 3.13Å; E492-G494 PolarHBondContact O-N 2.91Å; G494-A496 PolarHBondContact O-N 2.7Å
495F53.2Low57.5Low145 Ų14587.2 Ų87.264%0.63648%0.484SS*.  trans-92.276.7172.6-77-78.1000108.2N493 P497N493-F495 WeakPolarHBondContact O-CD2 3.42Å; N493-F495 PolarHBondContact O-N 3.2Å; F495-P497 WeakPolarHBondContact O-CD 3.48Å
496A53.4Low56.1Low22 Ų2294 Ų9418%0.18251%0.506CS..  trans-83.493.7159.700000107.3F379 G494 A498F379-A496 HydrophobicContact CE1-CB 3.99Å; F379-A496 HydrophobicContact CZ-CB 3.82Å; G494-A496 PolarHBondContact O-N 2.7Å; A496-A498 PolarHBondContact O-N 3.4Å
497P52Low55.2Low100 Ų10094.1 Ų94.165%0.64951%0.508SS*.  trans-58.9136.6173.227.1-35.2000108.3F495 R499F495-P497 WeakPolarHBondContact O-CD 3.48Å; P497-R499 PolarHBondContact O-N 3.17Å
498A51.4Low54.9Low22 Ų2291.3 Ų91.318%0.18249%0.493CS..  trans-55.2113.9169.700000107.8A496 N500A496-A498 PolarHBondContact O-N 3.4Å; A498-N500 PolarHBondContact O-N 2.9Å
499R51.6Low55Low112 Ų11291.6 Ų91.642%0.42349%0.494SS..  trans-67.296.6-173-162.5174.1-178.3-153-6.9108.5T384 P497 E501T384-R499 PolarHBondContact OG1-NH1 3.2Å; P497-R499 PolarHBondContact O-N 3.17Å; R499-E501 PolarHBondContact O-N 3.47Å; R499-E501 VanDerWaalsContact O-N 3.16Å
500N46Very low56Low120 Ų12086.9 Ų86.964%0.64248%0.475SS*.SBendtrans-61.5-23.9-175.2-76.9-39.7000112.4N82 A498 C502N82-N500 PolarHBondContact ND2-OD1 2.84Å; A498-N500 PolarHBondContact O-N 2.9Å; N500-C502 VanDerWaalsContact C-N 3.29Å; N500-C502 PolarHBondContact O-N 2.97Å; N500-C502 VanDerWaalsContact O-N 3.08Å
501E43Very low57.6Low148 Ų14884.4 Ų84.469%0.69245%0.453SS*.  trans-81.474.9169.4-64.6-177.4166.600110.6R499 T503R499-E501 PolarHBondContact O-N 3.47Å; R499-E501 VanDerWaalsContact O-N 3.16Å; E501-T503 PolarHBondContact O-N 3.19Å
502C46.2Very low59.4Low44 Ų4481.4 Ų81.430%0.29742%0.418SS..  trans-64.6112.8155.6-170.10000106.7K84 N500 L504K84-C502 PolarHBondContact NZ-SG 3.34Å; N500-C502 VanDerWaalsContact C-N 3.29Å; N500-C502 PolarHBondContact O-N 2.97Å; N500-C502 VanDerWaalsContact O-N 3.08Å; C502-L504 PolarHBondContact O-N 3.11Å; C502-L504 VanDerWaalsContact O-N 3.09Å
503T46.2Very low61.1Low51 Ų5174.6 Ų74.631%0.31339%0.392SS..  trans-51.5120.5171.116.30000108.1V192 G193 Y385 E501 N505V192-T503 HydrophobicContact CG1-CG2 4.38Å; G193-T503 WeakPolarHBondContact O-CB 3.24Å; G193-T503 PolarHBondContact O-OG1 3.32Å; Y385-T503 PolarHBondContact OH-OG1 3.48Å; Y385-T503 VanDerWaalsContact OH-OG1 3.09Å; E501-T503 PolarHBondContact O-N 3.19Å; T503-N505 PolarHBondContact O-N 2.9Å
504L50.6Low62.9Low114 Ų11467.7 Ų67.760%0.59736%0.355SS*.  trans-62.9104-176-115.891.8000108.8C502 R506 E509C502-L504 PolarHBondContact O-N 3.11Å; C502-L504 VanDerWaalsContact O-N 3.09Å; L504-R506 PolarHBondContact O-N 3.4Å; L504-E509 VanDerWaalsContact CD2-OE2 3.27Å; L504-E509 WeakPolarHBondContact CD2-OE2 3.34Å
505N61.9Low64.6Low30 Ų3067.4 Ų67.416%0.1635%0.352CS..  trans-74.677.2174.3-161.4-45.4000108.6E211 T503 S507 F508 E509E211-N505 WeakPolarHBondContact OE1-CB 3.28Å; E211-N505 PolarHBondContact OE1-ND2 2.67Å; T503-N505 PolarHBondContact O-N 2.9Å; N505-S507 PolarHBondContact O-N 3.48Å; N505-S507 VanDerWaalsContact O-N 3.07Å; N505-F508 HydrophobicContact CB-CB 4.13Å; N505-F508 WeakPolarHBondContact O-CA 3.3Å; N505-F508 WeakPolarHBondContact O-CB 3.47Å; N505-F508 PolarHBondContact O-N 3.2Å; N505-F508 PolarHBondContact OD1-N 3.35Å; N505-E509 PolarHBondContact O-N 3.43Å; N505-E509 VanDerWaalsContact O-N 3.14Å
506R64.4Low66.1Low196 Ų19661.8 Ų61.874%0.7433%0.326SS*.Hα-helixtrans-52.1-34.4-176.9-66.3-173.7179.2-163.7-0.6111.6L504 E509 S510L504-R506 PolarHBondContact O-N 3.4Å; R506-E509 PolarHBondContact O-N 3.43Å; R506-S510 WeakPolarHBondContact O-CB 3.14Å; R506-S510 PolarHBondContact O-N 3.15Å; R506-S510 PolarHBondContact O-OG 3.16Å
507S70.3Confident67.7Low52 Ų5261.6 Ų61.636%0.36432%0.321SS..Hα-helixtrans-60.2-47.5174178.50000112.3N209 N505 H511N209-S507 PolarHBondContact ND2-OG 3.25Å; N209-S507 VanDerWaalsContact ND2-OG 3.16Å; N505-S507 PolarHBondContact O-N 3.48Å; N505-S507 VanDerWaalsContact O-N 3.07Å; S507-H511 WeakPolarHBondContact O-CB 3.38Å; S507-H511 PolarHBondContact O-N 3.45Å; S507-H511 PolarHBondContact O-ND1 3.44Å; S507-H511 PolarHBondContact OG-CE1 2.78Å; S507-H511 VanDerWaalsContact OG-CE1 3.25Å; S507-H511 PolarHBondContact OG-ND1 2.85Å
508F79.5Confident69.5Low12 Ų1256.9 Ų56.95%0.05329%0.29CS..Hα-helixtrans-60.5-47.1175.4177.9-102.1000112M109 Y206 L207 N209 Y210 N505 H511 Q512M109-F508 HydrophobicContact CE-CZ 4.33Å; Y206-F508 HydrophobicContact CD2-CD2 4.36Å; Y206-F508 AromaticContact CD2-CE2 3.84Å; Y206-F508 HydrophobicContact CD2-CE2 3.84Å; Y206-F508 AromaticContact CE2-CE2 3.82Å; Y206-F508 HydrophobicContact CE2-CE2 3.82Å; Y206-F508 HydrophobicContact CE2-CZ 4.25Å; L207-F508 HydrophobicContact CD2-CE2 3.95Å; L207-F508 HydrophobicContact CD2-CZ 4.11Å; N209-F508 HydrophobicContact CB-CB 3.99Å; N209-F508 HydrophobicContact CB-CD2 4.27Å; N209-F508 WeakPolarHBondContact O-CB 3.23Å; Y210-F508 HydrophobicContact CD2-CD1 4.24Å; Y210-F508 AromaticContact CD2-CE1 3.59Å; Y210-F508 HydrophobicContact CD2-CE1 3.59Å; Y210-F508 HydrophobicContact CD2-CE2 4.17Å; Y210-F508 AromaticContact CD2-CZ 3.54Å; Y210-F508 HydrophobicContact CD2-CZ 3.54Å; Y210-F508 HydrophobicContact CE2-CE1 4.31Å; Y210-F508 HydrophobicContact CE2-CZ 4.45Å; Y210-F508 HydrophobicContact CG-CE2 4.35Å; Y210-F508 HydrophobicContact CG-CZ 4.1Å; N505-F508 HydrophobicContact CB-CB 4.13Å; N505-F508 WeakPolarHBondContact O-CA 3.3Å; N505-F508 WeakPolarHBondContact O-CB 3.47Å; N505-F508 PolarHBondContact O-N 3.2Å; N505-F508 PolarHBondContact OD1-N 3.35Å; F508-H511 PolarHBondContact O-N 2.85Å; F508-Q512 HydrophobicContact CE1-CB 4.2Å; F508-Q512 HydrophobicContact CE1-CG 4.45Å; F508-Q512 HydrophobicContact CZ-CB 4.17Å; F508-Q512 HydrophobicContact CZ-CG 4.32Å; F508-Q512 VanDerWaalsContact CZ-NE2 3.29Å; F508-Q512 WeakPolarHBondContact O-CB 3.41Å; F508-Q512 PolarHBondContact O-N 3.5Å
509E78.6Confident71.2Confident81 Ų8157 Ų5738%0.37929%0.287SS..Hα-helixtrans-65.5-42-177.3-68.1176.9-177.400112.2L504 N505 R506 Q512 A513L504-E509 VanDerWaalsContact CD2-OE2 3.27Å; L504-E509 WeakPolarHBondContact CD2-OE2 3.34Å; N505-E509 PolarHBondContact O-N 3.43Å; N505-E509 VanDerWaalsContact O-N 3.14Å; R506-E509 PolarHBondContact O-N 3.43Å; E509-Q512 PolarHBondContact O-N 3.47Å; E509-A513 WeakPolarHBondContact O-CB 3.38Å; E509-A513 PolarHBondContact O-N 3.04Å
510S79.4Confident72.9Confident72 Ų7253.8 Ų53.850%0.50328%0.276SS..Hα-helixtrans-62.8-45.8173.1-61.40000112.3R506 Q512 A513 L514R506-S510 WeakPolarHBondContact O-CB 3.14Å; R506-S510 PolarHBondContact O-N 3.15Å; R506-S510 PolarHBondContact O-OG 3.16Å; S510-Q512 VanDerWaalsContact C-N 3.32Å; S510-Q512 PolarHBondContact O-N 2.85Å; S510-A513 PolarHBondContact O-N 3.1Å; S510-L514 WeakPolarHBondContact O-CB 3.4Å; S510-L514 PolarHBondContact O-N 2.83Å
511H83.2Confident74.8Confident40 Ų4048 Ų4819%0.18525%0.245CC..Hα-helixtrans-63.6-38.6175.8-68.9144.5000112.2Y206 S507 F508 L514 V515 F594Y206-H511 HydrophobicContact CD2-CB 4.34Å; S507-H511 WeakPolarHBondContact O-CB 3.38Å; S507-H511 PolarHBondContact O-N 3.45Å; S507-H511 PolarHBondContact O-ND1 3.44Å; S507-H511 PolarHBondContact OG-CE1 2.78Å; S507-H511 VanDerWaalsContact OG-CE1 3.25Å; S507-H511 PolarHBondContact OG-ND1 2.85Å; F508-H511 PolarHBondContact O-N 2.85Å; H511-L514 PolarHBondContact O-N 2.84Å; H511-V515 WeakPolarHBondContact O-CB 3.39Å; H511-V515 VanDerWaalsContact O-CG2 3.28Å; H511-V515 WeakPolarHBondContact O-CG2 3.39Å; H511-V515 PolarHBondContact O-N 3.08Å; H511-F594 HydrophobicContact CB-CE1 4.2Å; H511-F594 AromaticContact CD2-CD1 3.29Å; H511-F594 WeakPolarHBondContact CD2-CD1 3.5Å; H511-F594 AromaticContact CD2-CE1 3.68Å; H511-F594 AromaticContact CD2-CG 3.96Å; H511-F594 AromaticContact NE2-CD1 3.85Å
512Q84.8Confident77Confident15 Ų1541.2 Ų41.27%0.0721%0.213CC..Hα-helixtrans-68.4-43.4178.4-174.9173.170.500111.6M109 Y206 F508 E509 S510 L514 V515 R516M109-Q512 VanDerWaalsContact CE-NE2 3.35Å; Y206-Q512 HydrophobicContact CE2-CB 4.02Å; Y206-Q512 HydrophobicContact CE2-CG 4.18Å; F508-Q512 HydrophobicContact CE1-CB 4.2Å; F508-Q512 HydrophobicContact CE1-CG 4.45Å; F508-Q512 HydrophobicContact CZ-CB 4.17Å; F508-Q512 HydrophobicContact CZ-CG 4.32Å; F508-Q512 VanDerWaalsContact CZ-NE2 3.29Å; F508-Q512 WeakPolarHBondContact O-CB 3.41Å; F508-Q512 PolarHBondContact O-N 3.5Å; E509-Q512 PolarHBondContact O-N 3.47Å; S510-Q512 VanDerWaalsContact C-N 3.32Å; S510-Q512 PolarHBondContact O-N 2.85Å; Q512-L514 VanDerWaalsContact C-N 3.34Å; Q512-L514 PolarHBondContact O-N 3.05Å; Q512-V515 PolarHBondContact O-N 3.31Å; Q512-R516 VanDerWaalsContact CD-NH1 3.29Å; Q512-R516 VanDerWaalsContact CG-CZ 3.46Å; Q512-R516 WeakPolarHBondContact O-CB 3.4Å; Q512-R516 WeakPolarHBondContact O-CG 3.2Å; Q512-R516 PolarHBondContact O-N 2.77Å; Q512-R516 VanDerWaalsContact OE1-CZ 3.31Å
513A85.4Confident78.9Confident37 Ų3739.1 Ų39.131%0.30620%0.2SC..Hα-helixtrans-59.1-44.6173.900000111.5E509 S510 R516 W517 F601E509-A513 WeakPolarHBondContact O-CB 3.38Å; E509-A513 PolarHBondContact O-N 3.04Å; S510-A513 PolarHBondContact O-N 3.1Å; A513-R516 PolarHBondContact O-N 2.85Å; A513-W517 WeakPolarHBondContact O-CB 3.4Å; A513-W517 PolarHBondContact O-N 3.27Å; A513-F601 HydrophobicContact CB-CE1 4.26Å; A513-F601 HydrophobicContact CB-CZ 4.36Å
514L88.5Confident80.7Confident0 Ų036.8 Ų36.80%019%0.185CC..Hα-helixtrans-59.6-49.9174.2176.468.3000112S510 H511 Q512 R516 W517 L518 F594 L597 F601S510-L514 WeakPolarHBondContact O-CB 3.4Å; S510-L514 PolarHBondContact O-N 2.83Å; H511-L514 PolarHBondContact O-N 2.84Å; Q512-L514 VanDerWaalsContact C-N 3.34Å; Q512-L514 PolarHBondContact O-N 3.05Å; L514-R516 VanDerWaalsContact C-N 3.34Å; L514-R516 PolarHBondContact O-N 2.83Å; L514-W517 HydrophobicContact CD1-CE3 3.85Å; L514-W517 HydrophobicContact CD1-CZ3 4.08Å; L514-W517 PolarHBondContact O-N 2.81Å; L514-L518 HydrophobicContact CD1-CD1 4.42Å; L514-L518 HydrophobicContact CD1-CG 4.44Å; L514-L518 HydrophobicContact CG-CD1 4.13Å; L514-L518 VanDerWaalsContact O-CG 3.31Å; L514-L518 WeakPolarHBondContact O-CG 3.41Å; L514-L518 PolarHBondContact O-N 3.4Å; L514-F594 HydrophobicContact CD2-CD1 3.56Å; L514-F594 HydrophobicContact CD2-CE1 3.95Å; L514-L597 HydrophobicContact CD1-CB 4.07Å; L514-L597 VanDerWaalsContact CD1-O 3.28Å; L514-L597 WeakPolarHBondContact CD1-O 3.29Å; L514-L597 HydrophobicContact CD2-CB 3.88Å; L514-F601 HydrophobicContact CD1-CB 3.59Å; L514-F601 HydrophobicContact CD1-CG 4.13Å
515V86.8Confident82.2Confident2 Ų232.2 Ų32.21%0.01216%0.16CC..Hα-helixtrans-62.9-40.1-179.8170.20000111.3Y206 H511 Q512 L518 Q519 V532 F594Y206-V515 HydrophobicContact CD1-CG2 4.02Å; Y206-V515 HydrophobicContact CE1-CB 4.42Å; Y206-V515 HydrophobicContact CE1-CG1 3.98Å; Y206-V515 HydrophobicContact CE1-CG2 4.18Å; Y206-V515 HydrophobicContact CG-CG2 4.22Å; H511-V515 WeakPolarHBondContact O-CB 3.39Å; H511-V515 VanDerWaalsContact O-CG2 3.28Å; H511-V515 WeakPolarHBondContact O-CG2 3.39Å; H511-V515 PolarHBondContact O-N 3.08Å; Q512-V515 PolarHBondContact O-N 3.31Å; V515-L518 PolarHBondContact O-N 3.31Å; V515-Q519 HydrophobicContact CG1-CG 4.49Å; V515-Q519 WeakPolarHBondContact O-CB 3.47Å; V515-Q519 VanDerWaalsContact O-CG 3.32Å; V515-Q519 WeakPolarHBondContact O-CG 3.46Å; V515-Q519 PolarHBondContact O-N 2.01Å; V515-V532 HydrophobicContact CG2-CG2 3.67Å; V515-F594 HydrophobicContact CG2-CE1 4.48Å
516R84.3Confident83.1Confident28 Ų2836.2 Ų36.211%0.10617%0.173CC..Hα-helixtrans-62.8-45.9173.7-75.4-176.2-176.51284.4111.7S40 E172 Q512 A513 L514 L518 Q519 F520S40-R516 VanDerWaalsContact CA-NH1 3.32Å; S40-R516 VanDerWaalsContact CB-NH1 3.3Å; S40-R516 VanDerWaalsContact N-CZ 3.3Å; S40-R516 PolarHBondContact OG-NH1 3.13Å; E172-R516 IonicContact OE1-CZ 3.65Å; E172-R516 IonicContact OE1-NH2 3.19Å; E172-R516 PolarHBondContact OE1-NH2 3.13Å; E172-R516 IonicContact OE2-CZ 3.18Å; E172-R516 IonicContact OE2-NE 3.03Å; E172-R516 PolarHBondContact OE2-NE 2.71Å; E172-R516 VanDerWaalsContact OE2-NE 3.08Å; E172-R516 IonicContact OE2-NH2 2.68Å; E172-R516 PolarHBondContact OE2-NH2 2.67Å; Q512-R516 VanDerWaalsContact CD-NH1 3.29Å; Q512-R516 VanDerWaalsContact CG-CZ 3.46Å; Q512-R516 WeakPolarHBondContact O-CB 3.4Å; Q512-R516 WeakPolarHBondContact O-CG 3.2Å; Q512-R516 PolarHBondContact O-N 2.77Å; Q512-R516 VanDerWaalsContact OE1-CZ 3.31Å; A513-R516 PolarHBondContact O-N 2.85Å; L514-R516 VanDerWaalsContact C-N 3.34Å; L514-R516 PolarHBondContact O-N 2.83Å; R516-L518 PolarHBondContact O-N 2.82Å; R516-Q519 PolarHBondContact O-N 3.26Å; R516-F520 VanDerWaalsContact O-CB 3.32Å; R516-F520 WeakPolarHBondContact O-CB 2.91Å; R516-F520 PolarHBondContact O-N 3.49Å
517W88.1Confident84Confident18 Ų1828.6 Ų28.67%0.06815%0.147CC..Hα-helixtrans-60.3-42.9175.4168.878.1000112.4A513 L514 F520 C521 L545 Y549 L600 F601 L604A513-W517 WeakPolarHBondContact O-CB 3.4Å; A513-W517 PolarHBondContact O-N 3.27Å; L514-W517 HydrophobicContact CD1-CE3 3.85Å; L514-W517 HydrophobicContact CD1-CZ3 4.08Å; L514-W517 PolarHBondContact O-N 2.81Å; W517-F520 PolarHBondContact O-N 3.45Å; W517-C521 PolarHBondContact NE1-SG 3.03Å; W517-C521 WeakPolarHBondContact O-CB 3.38Å; W517-C521 PolarHBondContact O-N 2.84Å; W517-C521 PolarHBondContact O-SG 3.5Å; W517-L545 HydrophobicContact CH2-CD1 3.97Å; W517-L545 HydrophobicContact CH2-CD2 3.78Å; W517-L545 HydrophobicContact CZ2-CD2 3.9Å; W517-L545 HydrophobicContact CZ3-CD1 4.29Å; W517-L545 HydrophobicContact CZ3-CD2 4.39Å; W517-Y549 HydrophobicContact CZ2-CE2 4.04Å; W517-Y549 PolarHBondContact NE1-OH 2.92Å; W517-Y549 VanDerWaalsContact NE1-OH 3.11Å; W517-L600 HydrophobicContact CH2-CB 4.37Å; W517-F601 HydrophobicContact CB-CD2 3.65Å; W517-F601 HydrophobicContact CB-CE2 3.51Å; W517-F601 HydrophobicContact CB-CZ 4.43Å; W517-F601 AromaticContact CD1-CD2 3.8Å; W517-F601 AromaticContact CD1-CE2 3.9Å; W517-F601 HydrophobicContact CD2-CB 4.32Å; W517-F601 AromaticContact CD2-CD2 3.48Å; W517-F601 HydrophobicContact CD2-CD2 3.48Å; W517-F601 VanDerWaalsContact CD2-CD2 3.48Å; W517-F601 HydrophobicContact CD2-CE2 4.23Å; W517-F601 HydrophobicContact CD2-CG 4.28Å; W517-F601 HydrophobicContact CE3-CB 3.93Å; W517-F601 AromaticContact CE3-CD2 3.89Å; W517-F601 HydrophobicContact CE3-CD2 3.89Å; W517-F601 HydrophobicContact CE3-CG 4.25Å; W517-F601 AromaticContact CG-CD2 3.34Å; W517-F601 HydrophobicContact CG-CD2 3.34Å; W517-F601 AromaticContact CG-CE2 3.59Å; W517-F601 HydrophobicContact CG-CE2 3.59Å; W517-F601 HydrophobicContact CG-CG 4.45Å; W517-F601 HydrophobicContact CZ3-CB 4.07Å; W517-L604 HydrophobicContact CH2-CD1 4.07Å; W517-L604 HydrophobicContact CZ2-CB 3.75Å; W517-L604 HydrophobicContact CZ2-CD1 3.89Å; W517-L604 HydrophobicContact CZ2-CG 4.46Å
518L89.7Confident84.6Confident0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-60.4-49.4174.4-69.9168.9000111L514 V515 R516 F520 C521 L522 V529 V532 L541 L545 L597L514-L518 HydrophobicContact CD1-CD1 4.42Å; L514-L518 HydrophobicContact CD1-CG 4.44Å; L514-L518 HydrophobicContact CG-CD1 4.13Å; L514-L518 VanDerWaalsContact O-CG 3.31Å; L514-L518 WeakPolarHBondContact O-CG 3.41Å; L514-L518 PolarHBondContact O-N 3.4Å; V515-L518 PolarHBondContact O-N 3.31Å; R516-L518 PolarHBondContact O-N 2.82Å; L518-F520 VanDerWaalsContact C-N 3.32Å; L518-F520 PolarHBondContact O-N 3.1Å; L518-C521 PolarHBondContact O-N 2.9Å; L518-L522 VanDerWaalsContact O-CB 3.24Å; L518-L522 WeakPolarHBondContact O-CB 3.42Å; L518-L522 WeakPolarHBondContact O-CG 3.13Å; L518-L522 PolarHBondContact O-N 3.47Å; L518-V529 HydrophobicContact CB-CG2 3.9Å; L518-V532 HydrophobicContact CD1-CG1 4.36Å; L518-L541 HydrophobicContact CD1-CD1 4.41Å; L518-L541 HydrophobicContact CD2-CD1 4.35Å; L518-L541 HydrophobicContact CD2-CD2 4.06Å; L518-L541 HydrophobicContact CD2-CG 4.3Å; L518-L545 HydrophobicContact CD2-CD1 3.84Å; L518-L597 HydrophobicContact CD1-CD1 4.35Å
519Q87.7Confident84.8Confident25 Ų2527.4 Ų27.412%0.11714%0.135CC..Hα-helixtrans-59.6-42.2177.2-72.6177.97.300111.8V515 R516 L522 A523V515-Q519 HydrophobicContact CG1-CG 4.49Å; V515-Q519 WeakPolarHBondContact O-CB 3.47Å; V515-Q519 VanDerWaalsContact O-CG 3.32Å; V515-Q519 WeakPolarHBondContact O-CG 3.46Å; V515-Q519 PolarHBondContact O-N 2.01Å; R516-Q519 PolarHBondContact O-N 3.26Å; Q519-L522 PolarHBondContact O-N 2.82Å; Q519-A523 WeakPolarHBondContact O-CB 3.31Å; Q519-A523 PolarHBondContact O-N 3.43Å
520F86.2Confident84.6Confident44 Ų4427 Ų2719%0.19313%0.133CC..Hα-helixtrans-62.3-45.7176.9-167.5-80.5000112.4C33 N36 R516 W517 L518 L522 L609C33-F520 HydrophobicContact CB-CD2 4.4Å; C33-F520 HydrophobicContact CB-CE2 4.43Å; C33-F520 WeakPolarHBondContact O-CZ 3.38Å; C33-F520 PolarHBondContact SG-O 2.82Å; N36-F520 WeakPolarHBondContact OD1-CZ 3.49Å; R516-F520 VanDerWaalsContact O-CB 3.32Å; R516-F520 WeakPolarHBondContact O-CB 2.91Å; R516-F520 PolarHBondContact O-N 3.49Å; W517-F520 PolarHBondContact O-N 3.45Å; L518-F520 VanDerWaalsContact C-N 3.32Å; L518-F520 PolarHBondContact O-N 3.1Å; F520-L522 VanDerWaalsContact C-N 3.32Å; F520-L522 PolarHBondContact O-N 3.02Å; F520-L609 HydrophobicContact CD1-CD1 4.04Å; F520-L609 HydrophobicContact CE1-CD1 3.97Å
521C86.9Confident84.6Confident0 Ų024.9 Ų24.90%012%0.116CC..Hα-helixtrans-64.9-36.2177.6-72.20000112.8W517 L518 P524 L545 R548W517-C521 PolarHBondContact NE1-SG 3.03Å; W517-C521 WeakPolarHBondContact O-CB 3.38Å; W517-C521 PolarHBondContact O-N 2.84Å; W517-C521 PolarHBondContact O-SG 3.5Å; L518-C521 PolarHBondContact O-N 2.9Å; C521-P524 WeakPolarHBondContact O-CD 3.49Å; C521-L545 HydrophobicContact CB-CD2 3.54Å; C521-R548 WeakPolarHBondContact O-CD 3.4Å
522L87.8Confident84.7Confident4 Ų423.5 Ų23.52%0.02111%0.11CC..Hα-helixtrans-89-23.4-172.7-68.4178.9000114.4L518 Q519 F520 P524 Y525 L527 V529 L541 A544L518-L522 VanDerWaalsContact O-CB 3.24Å; L518-L522 WeakPolarHBondContact O-CB 3.42Å; L518-L522 WeakPolarHBondContact O-CG 3.13Å; L518-L522 PolarHBondContact O-N 3.47Å; Q519-L522 PolarHBondContact O-N 2.82Å; F520-L522 VanDerWaalsContact C-N 3.32Å; F520-L522 PolarHBondContact O-N 3.02Å; L522-P524 VanDerWaalsContact C-CD 3.41Å; L522-Y525 PolarHBondContact O-N 3.21Å; L522-L527 HydrophobicContact CB-CB 3.97Å; L522-L527 HydrophobicContact CD2-CD1 4.14Å; L522-L527 PolarHBondContact O-N 3.36Å; L522-V529 HydrophobicContact CD1-CG2 3.48Å; L522-V529 VanDerWaalsContact CD1-CG2 3.48Å; L522-L541 HydrophobicContact CD1-CG 4.31Å; L522-A544 HydrophobicContact CD2-CB 3.33Å
523A86Confident84.7Confident1 Ų123.2 Ų23.21%0.00811%0.11CC..G310 helixtrans-51-42.8-177.600000114.9S29 Q30 C33 Q519 Y525 R526S29-A523 WeakPolarHBondContact O-CB 3.32Å; Q30-A523 HydrophobicContact CG-CB 4.23Å; Q30-A523 WeakPolarHBondContact CG-O 3.46Å; Q30-A523 PolarHBondContact NE2-O 3.41Å; C33-A523 HydrophobicContact CB-CB 3.82Å; Q519-A523 WeakPolarHBondContact O-CB 3.31Å; Q519-A523 PolarHBondContact O-N 3.43Å; A523-Y525 PolarHBondContact O-N 3.36Å; A523-Y525 VanDerWaalsContact O-N 3.1Å; A523-R526 PolarHBondContact O-N 3.2Å
524P84.5Confident84.6Confident1 Ų123.5 Ų23.51%0.00611%0.112CC..G310 helixtrans-56-32.2179.1-26.837.2000113.5C521 L522 R526 A612 F615 L616C521-P524 WeakPolarHBondContact O-CD 3.49Å; L522-P524 VanDerWaalsContact C-CD 3.41Å; P524-R526 VanDerWaalsContact C-N 3.31Å; P524-R526 PolarHBondContact O-N 2.85Å; P524-A612 HydrophobicContact CG-CB 3.96Å; P524-F615 HydrophobicContact CB-CB 3.82Å; P524-L616 HydrophobicContact CB-CD2 4.42Å; P524-L616 HydrophobicContact CB-CG 4.26Å
525Y82.6Confident84.5Confident18 Ų1824.7 Ų24.77%0.07112%0.12CC..G310 helixtrans-85.95.8-179.6-52-70.9000114.3L522 A523 L527 A544 H547 R548 W565 F615L522-Y525 PolarHBondContact O-N 3.21Å; A523-Y525 PolarHBondContact O-N 3.36Å; A523-Y525 VanDerWaalsContact O-N 3.1Å; Y525-L527 PolarHBondContact O-N 2.6Å; Y525-A544 HydrophobicContact CD2-CB 3.94Å; Y525-A544 HydrophobicContact CE2-CB 4.08Å; Y525-H547 AromaticContact CE1-ND1 3.96Å; Y525-H547 AromaticContact CZ-ND1 3.94Å; Y525-H547 PolarHBondContact OH-ND1 2.7Å; Y525-H547 VanDerWaalsContact OH-ND1 3.13Å; Y525-R548 HydrophobicContact CE2-CB 4.21Å; Y525-R548 VanDerWaalsContact OH-CA 3.3Å; Y525-R548 WeakPolarHBondContact OH-CA 3.39Å; Y525-R548 PolarHBondContact OH-N 2.76Å; Y525-W565 HydrophobicContact CD1-CH2 4.1Å; Y525-W565 AromaticContact CD1-CZ2 3.56Å; Y525-W565 HydrophobicContact CD1-CZ2 3.56Å; Y525-W565 HydrophobicContact CD2-CZ2 4.31Å; Y525-W565 HydrophobicContact CE1-CH2 4.04Å; Y525-W565 AromaticContact CE1-CZ2 3.99Å; Y525-W565 HydrophobicContact CE1-CZ2 3.99Å; Y525-W565 HydrophobicContact CG-CH2 4.42Å; Y525-W565 AromaticContact CG-CZ2 3.72Å; Y525-W565 HydrophobicContact CG-CZ2 3.72Å; Y525-F615 HydrophobicContact CE1-CB 3.97Å; Y525-F615 AromaticContact CE1-CD1 3.87Å; Y525-F615 HydrophobicContact CE1-CD1 3.87Å; Y525-F615 HydrophobicContact CE1-CG 4.28Å; Y525-F615 AromaticContact CZ-CD1 3.89Å; Y525-F615 VanDerWaalsContact OH-CD1 3.24Å; Y525-F615 WeakPolarHBondContact OH-CD1 3.28Å
526R81.2Confident84.5Confident114 Ų11424.7 Ų24.743%0.4312%0.12SC..THydrogen-bonded Turntrans60.623.6-173-54.3177.2-168.2-163.96.3113.4T26 Q30 A523 P524 V617 S619T26-R526 HydrophobicContact CG2-CB 3.83Å; T26-R526 HydrophobicContact CG2-CG 4.34Å; Q30-R526 VanDerWaalsContact NE2-CG 3.33Å; A523-R526 PolarHBondContact O-N 3.2Å; P524-R526 VanDerWaalsContact C-N 3.31Å; P524-R526 PolarHBondContact O-N 2.85Å; R526-V617 PolarHBondContact NH2-O 3.25Å; R526-S619 PolarHBondContact NH2-OG 3.29Å
527L83.4Confident84.5Confident37 Ų3728.9 Ų28.919%0.19414%0.136CC..  trans-95.3144176.7-66.2173.8000110.2L522 Y525 P540 A544 W565L522-L527 HydrophobicContact CB-CB 3.97Å; L522-L527 HydrophobicContact CD2-CD1 4.14Å; L522-L527 PolarHBondContact O-N 3.36Å; Y525-L527 PolarHBondContact O-N 2.6Å; L527-P540 HydrophobicContact CD1-CB 4.04Å; L527-P540 HydrophobicContact CD1-CG 3.52Å; L527-P540 HydrophobicContact CD2-CG 3.52Å; L527-P540 HydrophobicContact CG-CG 4.16Å; L527-A544 HydrophobicContact CD1-CB 3.79Å; L527-W565 HydrophobicContact CD1-CZ2 4.31Å
528R83.2Confident83.9Confident31 Ų3135 Ų3512%0.11717%0.165CC..  trans-131.2146.6172.8-64.7-172.972.7-128.12.2109.5E175E175-R528 IonicContact OE1-NH1 3.31Å; E175-R528 PolarHBondContact OE1-NH1 2.77Å
529V81.8Confident83.2Confident8 Ų836 Ų365%0.04818%0.176CC..  trans-92.5106.3171.5-171.30000108.1L518 L522 V532 L541L518-V529 HydrophobicContact CB-CG2 3.9Å; L522-V529 HydrophobicContact CD1-CG2 3.48Å; L522-V529 VanDerWaalsContact CD1-CG2 3.48Å; V529-V532 HydrophobicContact CG1-CB 4.26Å; V529-V532 HydrophobicContact CG1-CG2 3.77Å; V529-L541 HydrophobicContact CG1-CD1 4.43Å; V529-L541 HydrophobicContact CG2-CD1 4.05Å
530E74.3Confident83.1Confident71 Ų7136.2 Ų36.233%0.33218%0.179SC..SBendtrans-87.3-51.4175.3-67.7164-136.400110R22R22-E530 IonicContact CZ-OE1 2.72Å; R22-E530 IonicContact NH1-OE1 3.77Å; R22-E530 PolarHBondContact NH1-OE1 2.64Å; R22-E530 IonicContact NH1-OE2 2.78Å; R22-E530 IonicContact NH2-OE1 3.36Å; R22-E530 PolarHBondContact NH2-OE1 3.08Å
531N80.2Confident83.2Confident29 Ų2934.2 Ų34.216%0.15517%0.171CC..SBendtrans-125.5126.8167.2171.9-49.4000108.1D204 T533 A534 S535D204-N531 PolarHBondContact OD1-ND2 3.47Å; D204-N531 PolarHBondContact OD2-ND2 2.84Å; N531-T533 WeakPolarHBondContact OD1-CA 3.46Å; N531-T533 WeakPolarHBondContact OD1-CB 3.42Å; N531-T533 PolarHBondContact OD1-N 3Å; N531-A534 HydrophobicContact CB-CB 4Å; N531-A534 PolarHBondContact OD1-N 3.32Å; N531-S535 WeakPolarHBondContact O-CB 3.28Å; N531-S535 PolarHBondContact O-N 2.78Å; N531-S535 PolarHBondContact O-OG 3.39Å
532V84.9Confident83.4Confident10 Ų1034.5 Ų34.56%0.06117%0.172CC..Hα-helixtrans-62.2-51.1-176.7179.20000111.2V515 L518 V529 A534 S535 F536 I593 F594 L597V515-V532 HydrophobicContact CG2-CG2 3.67Å; L518-V532 HydrophobicContact CD1-CG1 4.36Å; V529-V532 HydrophobicContact CG1-CB 4.26Å; V529-V532 HydrophobicContact CG1-CG2 3.77Å; V532-A534 PolarHBondContact O-N 3.47Å; V532-S535 PolarHBondContact O-N 3.02Å; V532-F536 VanDerWaalsContact O-CB 3.26Å; V532-F536 WeakPolarHBondContact O-CB 3.33Å; V532-F536 PolarHBondContact O-N 3.46Å; V532-I593 HydrophobicContact CG1-CG2 4.45Å; V532-F594 HydrophobicContact CB-CE1 4.42Å; V532-F594 HydrophobicContact CB-CE2 3.93Å; V532-F594 HydrophobicContact CB-CZ 3.72Å; V532-F594 HydrophobicContact CG1-CE1 4.27Å; V532-F594 HydrophobicContact CG1-CE2 4.14Å; V532-F594 HydrophobicContact CG1-CZ 3.99Å; V532-F594 HydrophobicContact CG2-CE1 4.09Å; V532-F594 HydrophobicContact CG2-CE2 4.28Å; V532-F594 HydrophobicContact CG2-CZ 3.57Å; V532-L597 HydrophobicContact CG1-CD1 3.41Å; V532-L597 VanDerWaalsContact CG1-CD1 3.41Å
533T85Confident83.5Confident9 Ų934.4 Ų34.46%0.05517%0.172CC..Hα-helixtrans-59.7-45.2179.7-60.70000112.3N531 F536 R537 N590 I593N531-T533 WeakPolarHBondContact OD1-CA 3.46Å; N531-T533 WeakPolarHBondContact OD1-CB 3.42Å; N531-T533 PolarHBondContact OD1-N 3Å; T533-F536 PolarHBondContact O-N 2.88Å; T533-R537 WeakPolarHBondContact O-CB 3.31Å; T533-R537 VanDerWaalsContact O-CG 3.3Å; T533-R537 WeakPolarHBondContact O-CG 3.46Å; T533-R537 PolarHBondContact O-N 3.44Å; T533-N590 PolarHBondContact OG1-ND2 3.04Å; T533-I593 HydrophobicContact CG2-CD1 4.04Å
534A83.7Confident83.6Confident44 Ų4434.4 Ų34.436%0.36417%0.172SC..Hα-helixtrans-68.7-42.7177.300000112.1N531 V532 F536 R537 H538N531-A534 HydrophobicContact CB-CB 4Å; N531-A534 PolarHBondContact OD1-N 3.32Å; V532-A534 PolarHBondContact O-N 3.47Å; A534-F536 VanDerWaalsContact C-N 3.26Å; A534-F536 PolarHBondContact O-N 2.84Å; A534-R537 PolarHBondContact O-N 2.8Å; A534-H538 PolarHBondContact O-N 3.44Å
535S85.5Confident83.8Confident24 Ų2434.4 Ų34.417%0.16817%0.172CC..Hα-helixtrans-65.7-30.6177.8-57.20000112.3N531 V532 G539 L541N531-S535 WeakPolarHBondContact O-CB 3.28Å; N531-S535 PolarHBondContact O-N 2.78Å; N531-S535 PolarHBondContact O-OG 3.39Å; V532-S535 PolarHBondContact O-N 3.02Å; S535-G539 CarbonylContact O-C 3.59Å; S535-G539 WeakPolarHBondContact O-CA 3.22Å; S535-G539 PolarHBondContact O-N 2.87Å; S535-G539 VanDerWaalsContact O-N 3.12Å; S535-L541 VanDerWaalsContact O-CB 3.27Å; S535-L541 WeakPolarHBondContact O-CB 3.39Å
536F88.1Confident84.1Confident3 Ų333.6 Ų33.61%0.01317%0.168CC..Hα-helixtrans-72.2-48.7173.4-174.8-88.4000112.3V532 T533 A534 L541 L542 L569 L573 P585 F588 I593 Y596 L597V532-F536 VanDerWaalsContact O-CB 3.26Å; V532-F536 WeakPolarHBondContact O-CB 3.33Å; V532-F536 PolarHBondContact O-N 3.46Å; T533-F536 PolarHBondContact O-N 2.88Å; A534-F536 VanDerWaalsContact C-N 3.26Å; A534-F536 PolarHBondContact O-N 2.84Å; F536-L541 HydrophobicContact CD2-CD2 4.35Å; F536-L542 HydrophobicContact CD2-CD1 4.32Å; F536-L542 HydrophobicContact CD2-CD2 4.36Å; F536-L542 HydrophobicContact CD2-CG 4.2Å; F536-L542 HydrophobicContact CE2-CD1 3.69Å; F536-L542 HydrophobicContact CE2-CD2 3.99Å; F536-L542 HydrophobicContact CE2-CG 3.96Å; F536-L542 HydrophobicContact CZ-CD1 3.98Å; F536-L569 HydrophobicContact CE1-CD1 4.36Å; F536-L573 HydrophobicContact CZ-CD2 4.11Å; F536-P585 HydrophobicContact CE1-CG 4.21Å; F536-P585 HydrophobicContact CZ-CG 4.12Å; F536-F588 AromaticContact CE1-CD1 3.97Å; F536-F588 HydrophobicContact CE1-CD1 3.97Å; F536-F588 AromaticContact CE1-CE1 3.98Å; F536-F588 HydrophobicContact CE1-CE1 3.98Å; F536-I593 HydrophobicContact CB-CD1 4.48Å; F536-I593 HydrophobicContact CB-CG2 3.95Å; F536-I593 HydrophobicContact CD1-CD1 3.58Å; F536-I593 HydrophobicContact CD1-CG1 3.77Å; F536-I593 HydrophobicContact CD1-CG2 4.1Å; F536-I593 HydrophobicContact CD2-CG2 3.96Å; F536-I593 HydrophobicContact CE1-CD1 4.09Å; F536-I593 HydrophobicContact CE1-CG1 3.85Å; F536-I593 HydrophobicContact CE2-CG2 4.44Å; F536-I593 HydrophobicContact CG-CD1 4.21Å; F536-I593 HydrophobicContact CG-CG1 4.3Å; F536-I593 HydrophobicContact CG-CG2 3.75Å; F536-I593 HydrophobicContact CZ-CG1 4.44Å; F536-Y596 AromaticContact CE2-CD1 3.54Å; F536-Y596 HydrophobicContact CE2-CD1 3.54Å; F536-Y596 AromaticContact CE2-CE1 3.57Å; F536-Y596 HydrophobicContact CE2-CE1 3.57Å; F536-Y596 AromaticContact CZ-CD1 3.72Å; F536-Y596 HydrophobicContact CZ-CD1 3.72Å; F536-Y596 AromaticContact CZ-CE1 3.76Å; F536-Y596 HydrophobicContact CZ-CE1 3.76Å; F536-L597 HydrophobicContact CD2-CD1 3.97Å; F536-L597 HydrophobicContact CD2-CD2 3.93Å; F536-L597 HydrophobicContact CD2-CG 4.04Å; F536-L597 HydrophobicContact CE2-CD2 4Å; F536-L597 HydrophobicContact CE2-CG 4.15Å
537R84.7Confident84.5Confident115 Ų11529.1 Ų29.143%0.43415%0.153SC..Hα-helixtrans-72.6-37.8-175.8-72.3176.1178.7-173.73.3113.9T533 A534 F588 I593T533-R537 WeakPolarHBondContact O-CB 3.31Å; T533-R537 VanDerWaalsContact O-CG 3.3Å; T533-R537 WeakPolarHBondContact O-CG 3.46Å; T533-R537 PolarHBondContact O-N 3.44Å; A534-R537 PolarHBondContact O-N 2.8Å; R537-F588 VanDerWaalsContact CZ-O 3.24Å; R537-F588 PolarHBondContact NE-O 3.44Å; R537-F588 PolarHBondContact NH2-O 3.2Å; R537-I593 HydrophobicContact CG-CD1 4.22Å
538H75.3Confident84.6Confident147 Ų14727.5 Ų27.568%0.68114%0.144SC*.Hα-helixtrans-125.5-7.2-168.6-55.7-60.9000114.1A534A534-H538 PolarHBondContact O-N 3.44Å
539G73.6Confident84.8Confident22 Ų2227.2 Ų27.223%0.22714%0.143CC..SBendtrans-108.3171.9-172.600000114S535 L541S535-G539 CarbonylContact O-C 3.59Å; S535-G539 WeakPolarHBondContact O-CA 3.22Å; S535-G539 PolarHBondContact O-N 2.87Å; S535-G539 VanDerWaalsContact O-N 3.12Å; G539-L541 PolarHBondContact O-N 3.2Å; G539-L541 VanDerWaalsContact O-N 3.08Å
540P85.4Confident85.1Confident29 Ų2931 Ų3119%0.18816%0.157CC..SBendtrans-761717732.3-37.6000114.5L527 L542 A543 A544 W565L527-P540 HydrophobicContact CD1-CB 4.04Å; L527-P540 HydrophobicContact CD1-CG 3.52Å; L527-P540 HydrophobicContact CD2-CG 3.52Å; L527-P540 HydrophobicContact CG-CG 4.16Å; P540-L542 PolarHBondContact O-N 3.22Å; P540-A543 PolarHBondContact O-N 3.21Å; P540-A544 VanDerWaalsContact O-CB 3.24Å; P540-A544 WeakPolarHBondContact O-CB 3.48Å; P540-A544 PolarHBondContact O-N 2.86Å; P540-W565 HydrophobicContact CB-CB 3.46Å; P540-W565 VanDerWaalsContact CB-CB 3.46Å; P540-W565 HydrophobicContact CB-CD2 3.68Å; P540-W565 HydrophobicContact CB-CE3 4.24Å; P540-W565 HydrophobicContact CB-CG 3.31Å; P540-W565 HydrophobicContact CG-CB 4.32Å; P540-W565 HydrophobicContact CG-CG 4.06Å
541L89.7Confident85.6Confident2 Ų230.1 Ų30.11%0.0116%0.157CC..Hα-helixtrans-57.3-55.3-169.3-177.2153.6000112.4L518 L522 V529 S535 F536 G539 L545 L597L518-L541 HydrophobicContact CD1-CD1 4.41Å; L518-L541 HydrophobicContact CD2-CD1 4.35Å; L518-L541 HydrophobicContact CD2-CD2 4.06Å; L518-L541 HydrophobicContact CD2-CG 4.3Å; L522-L541 HydrophobicContact CD1-CG 4.31Å; V529-L541 HydrophobicContact CG1-CD1 4.43Å; V529-L541 HydrophobicContact CG2-CD1 4.05Å; S535-L541 VanDerWaalsContact O-CB 3.27Å; S535-L541 WeakPolarHBondContact O-CB 3.39Å; F536-L541 HydrophobicContact CD2-CD2 4.35Å; G539-L541 PolarHBondContact O-N 3.2Å; G539-L541 VanDerWaalsContact O-N 3.08Å; L541-L545 HydrophobicContact CD2-CD1 3.86Å; L541-L545 WeakPolarHBondContact O-CG 3.31Å; L541-L545 PolarHBondContact O-N 3.02Å; L541-L545 VanDerWaalsContact O-N 3.09Å; L541-L597 HydrophobicContact CD2-CD2 3.87Å
542L90.1Very high85.9Confident5 Ų533.6 Ų33.63%0.02618%0.175CC..Hα-helixtrans-71.1-35.9178.5-67.2-176.5000112.5F536 P540 A544 L545 L546 L569 C572 L573 Y596 L597 L600F536-L542 HydrophobicContact CD2-CD1 4.32Å; F536-L542 HydrophobicContact CD2-CD2 4.36Å; F536-L542 HydrophobicContact CD2-CG 4.2Å; F536-L542 HydrophobicContact CE2-CD1 3.69Å; F536-L542 HydrophobicContact CE2-CD2 3.99Å; F536-L542 HydrophobicContact CE2-CG 3.96Å; F536-L542 HydrophobicContact CZ-CD1 3.98Å; P540-L542 PolarHBondContact O-N 3.22Å; L542-A544 VanDerWaalsContact C-N 3.32Å; L542-A544 PolarHBondContact O-N 3.05Å; L542-L545 HydrophobicContact CD2-CD1 4.26Å; L542-L545 PolarHBondContact O-N 2.91Å; L542-L546 WeakPolarHBondContact O-CB 3.39Å; L542-L546 WeakPolarHBondContact O-CG 3.4Å; L542-L546 PolarHBondContact O-N 3.5Å; L542-L569 HydrophobicContact CD1-CD1 3.8Å; L542-C572 HydrophobicContact CB-CB 3.72Å; L542-C572 HydrophobicContact CD1-CB 4.11Å; L542-L573 HydrophobicContact CD1-CD2 3.85Å; L542-L573 HydrophobicContact CD1-CG 4.45Å; L542-Y596 HydrophobicContact CD1-CE1 4.23Å; L542-Y596 HydrophobicContact CD2-CE1 4.17Å; L542-L597 HydrophobicContact CD2-CD2 4.12Å; L542-L600 HydrophobicContact CD2-CD1 3.85Å
543A89.8Confident86Confident3 Ų336.5 Ų36.53%0.02519%0.185CC..Hα-helixtrans-60.8-42.717800000111.7P540 H547 L557 W565P540-A543 PolarHBondContact O-N 3.21Å; A543-H547 WeakPolarHBondContact O-CB 3.29Å; A543-H547 PolarHBondContact O-N 3.04Å; A543-L557 HydrophobicContact CB-CB 4Å; A543-L557 HydrophobicContact CB-CD1 3.64Å; A543-L557 HydrophobicContact CB-CG 4.44Å; A543-W565 HydrophobicContact CB-CE3 3.71Å; A543-W565 HydrophobicContact CB-CZ3 4.01Å
544A88.4Confident85.9Confident0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-73.7-35.6177.600000112.7L522 Y525 L527 P540 L542 H547 R548 W565L522-A544 HydrophobicContact CD2-CB 3.33Å; Y525-A544 HydrophobicContact CD2-CB 3.94Å; Y525-A544 HydrophobicContact CE2-CB 4.08Å; L527-A544 HydrophobicContact CD1-CB 3.79Å; P540-A544 VanDerWaalsContact O-CB 3.24Å; P540-A544 WeakPolarHBondContact O-CB 3.48Å; P540-A544 PolarHBondContact O-N 2.86Å; L542-A544 VanDerWaalsContact C-N 3.32Å; L542-A544 PolarHBondContact O-N 3.05Å; A544-H547 PolarHBondContact O-N 2.79Å; A544-R548 VanDerWaalsContact O-CB 3.22Å; A544-R548 WeakPolarHBondContact O-CB 3.16Å; A544-R548 PolarHBondContact O-N 2.84Å; A544-W565 VanDerWaalsContact CA-CH2 3.41Å; A544-W565 HydrophobicContact CB-CH2 3.58Å; A544-W565 HydrophobicContact CB-CZ2 3.72Å; A544-W565 HydrophobicContact CB-CZ3 4.01Å
545L89.3Confident85.9Confident2 Ų237.1 Ų37.11%0.0119%0.188CC..Hα-helixtrans-61.9-46.1169.6-73.9171.4000111.8W517 L518 C521 L541 L542 R548 Y549W517-L545 HydrophobicContact CH2-CD1 3.97Å; W517-L545 HydrophobicContact CH2-CD2 3.78Å; W517-L545 HydrophobicContact CZ2-CD2 3.9Å; W517-L545 HydrophobicContact CZ3-CD1 4.29Å; W517-L545 HydrophobicContact CZ3-CD2 4.39Å; L518-L545 HydrophobicContact CD2-CD1 3.84Å; C521-L545 HydrophobicContact CB-CD2 3.54Å; L541-L545 HydrophobicContact CD2-CD1 3.86Å; L541-L545 WeakPolarHBondContact O-CG 3.31Å; L541-L545 PolarHBondContact O-N 3.02Å; L541-L545 VanDerWaalsContact O-N 3.09Å; L542-L545 HydrophobicContact CD2-CD1 4.26Å; L542-L545 PolarHBondContact O-N 2.91Å; L545-R548 WeakPolarHBondContact O-CB 3.39Å; L545-R548 PolarHBondContact O-N 2.76Å; L545-R548 VanDerWaalsContact O-N 3.16Å; L545-Y549 HydrophobicContact CD2-CE2 4.43Å; L545-Y549 WeakPolarHBondContact O-CD2 3.11Å; L545-Y549 PolarHBondContact O-N 2.84Å
546L89.3Confident85.8Confident0 Ų040 Ų400%021%0.207CC..Hα-helixtrans-58.4-49.7173.9-77.8169.2000110.7L542 R548 Y549 R550 L557 C572 V576 L579 W580L542-L546 WeakPolarHBondContact O-CB 3.39Å; L542-L546 WeakPolarHBondContact O-CG 3.4Å; L542-L546 PolarHBondContact O-N 3.5Å; L546-R548 VanDerWaalsContact C-N 3.25Å; L546-R548 PolarHBondContact O-N 3.17Å; L546-Y549 PolarHBondContact O-N 2.93Å; L546-R550 CarbonylContact O-C 3.56Å; L546-R550 VanDerWaalsContact O-CA 3.26Å; L546-R550 WeakPolarHBondContact O-CA 3.25Å; L546-R550 PolarHBondContact O-N 2.96Å; L546-L557 HydrophobicContact CD1-CD1 4.49Å; L546-C572 HydrophobicContact CD1-CB 3.87Å; L546-V576 HydrophobicContact CD2-CG2 4.24Å; L546-L579 HydrophobicContact CD2-CD1 3.76Å; L546-W580 HydrophobicContact CD2-CH2 3.82Å; L546-W580 HydrophobicContact CD2-CZ3 3.84Å
547H87.8Confident85.8Confident21 Ų2140 Ų4010%0.09721%0.207CC..Hα-helixtrans-61.2-32176-169.3-53.2000113.1Y525 A543 A544 P551 F558 W565 F615Y525-H547 AromaticContact CE1-ND1 3.96Å; Y525-H547 AromaticContact CZ-ND1 3.94Å; Y525-H547 PolarHBondContact OH-ND1 2.7Å; Y525-H547 VanDerWaalsContact OH-ND1 3.13Å; A543-H547 WeakPolarHBondContact O-CB 3.29Å; A543-H547 PolarHBondContact O-N 3.04Å; A544-H547 PolarHBondContact O-N 2.79Å; H547-P551 WeakPolarHBondContact O-CG 3.29Å; H547-F558 AromaticContact NE2-CD1 3.95Å; H547-W565 HydrophobicContact CB-CH2 3.83Å; H547-W565 HydrophobicContact CB-CZ3 4.01Å; H547-F615 AromaticContact CE1-CD1 3.68Å; H547-F615 AromaticContact CE1-CE1 3.6Å; H547-F615 AromaticContact ND1-CD1 3.64Å; H547-F615 AromaticContact ND1-CE1 3.42Å; H547-F615 WeakPolarHBondContact ND1-CE1 3.22Å
548R85.7Confident85.7Confident3 Ų336 Ų361%0.01119%0.193CC..Hα-helixtrans-71.7-42.4-179.1-165.874.617396.813.4112.3C521 Y525 A544 L545 L546 L609 P610 P611C521-R548 WeakPolarHBondContact O-CD 3.4Å; Y525-R548 HydrophobicContact CE2-CB 4.21Å; Y525-R548 VanDerWaalsContact OH-CA 3.3Å; Y525-R548 WeakPolarHBondContact OH-CA 3.39Å; Y525-R548 PolarHBondContact OH-N 2.76Å; A544-R548 VanDerWaalsContact O-CB 3.22Å; A544-R548 WeakPolarHBondContact O-CB 3.16Å; A544-R548 PolarHBondContact O-N 2.84Å; L545-R548 WeakPolarHBondContact O-CB 3.39Å; L545-R548 PolarHBondContact O-N 2.76Å; L545-R548 VanDerWaalsContact O-N 3.16Å; L546-R548 VanDerWaalsContact C-N 3.25Å; L546-R548 PolarHBondContact O-N 3.17Å; R548-L609 HydrophobicContact CG-CD2 4.03Å; R548-P610 PolarHBondContact NH1-O 3.23Å; R548-P610 PolarHBondContact NH2-O 3.49Å; R548-P610 WeakPolarHBondContact O-CG 3.25Å; R548-P611 PolarHBondContact NH1-O 3.45Å
549Y87.7Confident86Confident25 Ų2532.5 Ų32.510%0.09818%0.179CC..Hα-helixtrans-98.6-27.6-175.5-75.8-84.4000114W517 L545 L546 L604 R607 L609W517-Y549 HydrophobicContact CZ2-CE2 4.04Å; W517-Y549 PolarHBondContact NE1-OH 2.92Å; W517-Y549 VanDerWaalsContact NE1-OH 3.11Å; L545-Y549 HydrophobicContact CD2-CE2 4.43Å; L545-Y549 WeakPolarHBondContact O-CD2 3.11Å; L545-Y549 PolarHBondContact O-N 2.84Å; L546-Y549 PolarHBondContact O-N 2.93Å; Y549-L604 HydrophobicContact CD1-CD2 4.18Å; Y549-L604 HydrophobicContact CD2-CD1 4.09Å; Y549-L604 HydrophobicContact CE1-CB 4.12Å; Y549-L604 HydrophobicContact CE1-CD2 4.34Å; Y549-L604 WeakPolarHBondContact CE1-O 3.49Å; Y549-L604 HydrophobicContact CE2-CB 4.14Å; Y549-L604 HydrophobicContact CE2-CD1 4.06Å; Y549-L604 HydrophobicContact CG-CD2 4.27Å; Y549-L604 PolarHBondContact OH-O 2.83Å; Y549-R607 HydrophobicContact CE1-CB 4.21Å; Y549-L609 HydrophobicContact CE1-CD2 4.12Å; Y549-L609 HydrophobicContact CE1-CG 4.16Å; Y549-L609 HydrophobicContact CE2-CD2 4.02Å
550R87.8Confident86.1Confident88 Ų8835.3 Ų35.333%0.33220%0.2SC..  trans-141.776.4-179-70-60.5-64.6-99.30.8110.8L546 D552 Y553 G554 L579 W580L546-R550 CarbonylContact O-C 3.56Å; L546-R550 VanDerWaalsContact O-CA 3.26Å; L546-R550 WeakPolarHBondContact O-CA 3.25Å; L546-R550 PolarHBondContact O-N 2.96Å; R550-D552 VanDerWaalsContact C-OD1 3.24Å; R550-D552 WeakPolarHBondContact CA-OD1 3.06Å; R550-D552 WeakPolarHBondContact CB-OD1 3.2Å; R550-D552 IonicContact CZ-OD1 2.74Å; R550-D552 IonicContact CZ-OD2 3.2Å; R550-D552 IonicContact NE-OD1 2.74Å; R550-D552 PolarHBondContact NE-OD1 3.33Å; R550-D552 IonicContact NE-OD2 3.5Å; R550-D552 PolarHBondContact NE-OD2 3.14Å; R550-D552 IonicContact NH2-OD1 3.41Å; R550-D552 IonicContact NH2-OD2 2.65Å; R550-D552 PolarHBondContact NH2-OD2 2.83Å; R550-D552 PolarHBondContact O-N 2.66Å; R550-Y553 HydrophobicContact CB-CD2 4.37Å; R550-Y553 PolarHBondContact O-N 2.91Å; R550-G554 PolarHBondContact O-N 3.25Å; R550-L579 HydrophobicContact CB-CD1 4.31Å; R550-L579 HydrophobicContact CG-CD1 4.11Å; R550-L579 HydrophobicContact CG-CD2 4.41Å; R550-W580 HydrophobicContact CG-CZ2 4.17Å
551P84.7Confident85.5Confident51 Ų5144.8 Ų44.833%0.33123%0.232SC..Hα-helixtrans-54.1-28.6178.3-24.433000113.4H547 Y553 G554 S555 F615H547-P551 WeakPolarHBondContact O-CG 3.29Å; P551-Y553 VanDerWaalsContact C-N 3.28Å; P551-Y553 PolarHBondContact O-N 2.87Å; P551-G554 PolarHBondContact O-N 3.5Å; P551-S555 VanDerWaalsContact O-CB 3.22Å; P551-S555 WeakPolarHBondContact O-CB 3.41Å; P551-S555 PolarHBondContact O-N 2.94Å; P551-S555 PolarHBondContact O-OG 3.48Å; P551-F615 HydrophobicContact CG-CE1 4.37Å; P551-F615 HydrophobicContact CG-CZ 4.24Å
552D87.1Confident85Confident102 Ų10248.1 Ų48.155%0.54525%0.253SS..Hα-helixtrans-62.3-28.7175.456.2-47.1000114R550R550-D552 VanDerWaalsContact C-OD1 3.24Å; R550-D552 WeakPolarHBondContact CA-OD1 3.06Å; R550-D552 WeakPolarHBondContact CB-OD1 3.2Å; R550-D552 IonicContact CZ-OD1 2.74Å; R550-D552 IonicContact CZ-OD2 3.2Å; R550-D552 IonicContact NE-OD1 2.74Å; R550-D552 PolarHBondContact NE-OD1 3.33Å; R550-D552 IonicContact NE-OD2 3.5Å; R550-D552 PolarHBondContact NE-OD2 3.14Å; R550-D552 IonicContact NH2-OD1 3.41Å; R550-D552 IonicContact NH2-OD2 2.65Å; R550-D552 PolarHBondContact NH2-OD2 2.83Å; R550-D552 PolarHBondContact O-N 2.66Å
553Y87.3Confident84.3Confident71 Ų7150.5 Ų50.528%0.27827%0.273SS..Hα-helixtrans-96.3-34.3172.2-75.5-110.1000112.1R550 P551 C556 Y571 L579R550-Y553 HydrophobicContact CB-CD2 4.37Å; R550-Y553 PolarHBondContact O-N 2.91Å; P551-Y553 VanDerWaalsContact C-N 3.28Å; P551-Y553 PolarHBondContact O-N 2.87Å; Y553-C556 PolarHBondContact O-SG 2.94Å; Y553-Y571 PolarHBondContact O-OH 3.14Å; Y553-L579 HydrophobicContact CD1-CD1 4Å; Y553-L579 HydrophobicContact CD1-CG 4.42Å; Y553-L579 HydrophobicContact CD2-CD1 4.16Å; Y553-L579 HydrophobicContact CD2-CD2 4.14Å; Y553-L579 HydrophobicContact CE1-CD1 4.33Å; Y553-L579 HydrophobicContact CE1-CD2 4.25Å; Y553-L579 HydrophobicContact CE1-CG 4.25Å; Y553-L579 HydrophobicContact CE2-CD2 3.76Å; Y553-L579 HydrophobicContact CG-CD1 3.92Å
554G82.7Confident83.8Confident0 Ų056.2 Ų56.20%030%0.3CS..Hα-helixtrans-84.5-21.3-174.800000116.1R550 P551 C556 L557R550-G554 PolarHBondContact O-N 3.25Å; P551-G554 PolarHBondContact O-N 3.5Å; G554-C556 PolarHBondContact O-N 2.77Å; G554-L557 WeakPolarHBondContact O-CB 3.48Å; G554-L557 PolarHBondContact O-N 3.17Å
555S82.9Confident83.6Confident66 Ų6657.9 Ų57.946%0.46231%0.306SS..G310 helixtrans-64-26.9-174.6-64.30000113.5P551 L557P551-S555 VanDerWaalsContact O-CB 3.22Å; P551-S555 WeakPolarHBondContact O-CB 3.41Å; P551-S555 PolarHBondContact O-N 2.94Å; P551-S555 PolarHBondContact O-OG 3.48Å; S555-L557 PolarHBondContact O-N 3.39Å
556C85.2Confident83.3Confident84 Ų8463.6 Ų63.657%0.56833%0.331SS*.G310 helixtrans-73.8-12.9175.167.50000113.3Y553 G554Y553-C556 PolarHBondContact O-SG 2.94Å; G554-C556 PolarHBondContact O-N 2.77Å
557L86.2Confident82.6Confident4 Ų467.4 Ų67.42%0.02136%0.356CS..G310 helixtrans-97.5-8.6179.7-55.5175.6000113.2A543 L546 G554 S555 W565 K566 D568 Y571A543-L557 HydrophobicContact CB-CB 4Å; A543-L557 HydrophobicContact CB-CD1 3.64Å; A543-L557 HydrophobicContact CB-CG 4.44Å; L546-L557 HydrophobicContact CD1-CD1 4.49Å; G554-L557 WeakPolarHBondContact O-CB 3.48Å; G554-L557 PolarHBondContact O-N 3.17Å; S555-L557 PolarHBondContact O-N 3.39Å; L557-W565 CarbonylContact O-C 3.56Å; L557-W565 WeakPolarHBondContact O-CA 3.28Å; L557-K566 HydrophobicContact CD2-CD 4.41Å; L557-K566 PolarHBondContact O-N 3.23Å; L557-D568 HydrophobicContact CD2-CB 4.14Å; L557-Y571 HydrophobicContact CD1-CD1 3.91Å; L557-Y571 HydrophobicContact CD1-CE1 4Å; L557-Y571 HydrophobicContact CD2-CD1 3.78Å; L557-Y571 HydrophobicContact CD2-CE1 4.15Å; L557-Y571 HydrophobicContact CG-CD1 4.17Å; L557-Y571 HydrophobicContact CG-CE1 4.15Å
558F83.8Confident82.6Confident31 Ų3168.6 Ų68.614%0.13636%0.363CS..EExtended strand (participates in β ladder)trans-121.9117.8-177.6-178-118.1000111.7H547 A560 A563 W565 V617H547-F558 AromaticContact NE2-CD1 3.95Å; F558-A560 HydrophobicContact CD1-CB 4.38Å; F558-A560 HydrophobicContact CE1-CB 4.16Å; F558-A560 PolarHBondContact O-N 2.92Å; F558-A563 HydrophobicContact CE2-CB 4.41Å; F558-A563 HydrophobicContact CZ-CB 4.3Å; F558-W565 HydrophobicContact CB-CD2 4.4Å; F558-W565 HydrophobicContact CB-CE3 3.98Å; F558-W565 HydrophobicContact CB-CH2 3.95Å; F558-W565 HydrophobicContact CB-CZ2 4.39Å; F558-W565 HydrophobicContact CB-CZ3 3.74Å; F558-W565 AromaticContact CD2-CD2 3.72Å; F558-W565 HydrophobicContact CD2-CD2 3.72Å; F558-W565 AromaticContact CD2-CE2 3.41Å; F558-W565 VanDerWaalsContact CD2-CE2 3.41Å; F558-W565 HydrophobicContact CD2-CE3 4.17Å; F558-W565 HydrophobicContact CD2-CG 4.18Å; F558-W565 HydrophobicContact CD2-CH2 4.04Å; F558-W565 AromaticContact CD2-CZ2 3.6Å; F558-W565 HydrophobicContact CD2-CZ2 3.6Å; F558-W565 HydrophobicContact CD2-CZ3 4.32Å; F558-W565 AromaticContact CD2-NE1 3.7Å; F558-W565 AromaticContact CE2-CE2 3.9Å; F558-W565 HydrophobicContact CE2-CZ2 4.09Å; F558-W565 AromaticContact CE2-NE1 3.78Å; F558-W565 HydrophobicContact CG-CD2 4.48Å; F558-W565 HydrophobicContact CG-CE3 4.5Å; F558-W565 HydrophobicContact CG-CH2 4.09Å; F558-W565 HydrophobicContact CG-CZ2 4.08Å; F558-W565 HydrophobicContact CG-CZ3 4.32Å; F558-V617 HydrophobicContact CZ-CG2 4.33Å
559N81.5Confident82.7Confident73 Ų7370.4 Ų70.439%0.3937%0.373SS..EExtended strand (participates in β ladder)trans-84.394.9173.7-175.1-11.8000109.9R561 T562 A563 E564N559-R561 PolarHBondContact O-N 3.17Å; N559-R561 WeakPolarHBondContact OD1-CB 3.3Å; N559-R561 PolarHBondContact OD1-N 3.03Å; N559-T562 WeakPolarHBondContact CB-OG1 3.37Å; N559-T562 PolarHBondContact ND2-OG1 2.73Å; N559-T562 VanDerWaalsContact ND2-OG1 3.1Å; N559-T562 PolarHBondContact O-N 3.33Å; N559-T562 PolarHBondContact OD1-N 3.47Å; N559-A563 VanDerWaalsContact O-CA 3.31Å; N559-A563 WeakPolarHBondContact O-CA 3.19Å; N559-A563 PolarHBondContact O-N 2.94Å; N559-E564 PolarHBondContact N-O 3.33Å
560A74.9Confident82.8Confident82 Ų8274.9 Ų74.968%0.67840%0.398SS*.THydrogen-bonded Turntrans-59.2-15.3179.400000115F558F558-A560 HydrophobicContact CD1-CB 4.38Å; F558-A560 HydrophobicContact CE1-CB 4.16Å; F558-A560 PolarHBondContact O-N 2.92Å
561R74.3Confident83Confident228 Ų22874.5 Ų74.586%0.8640%0.398SS*.THydrogen-bonded Turntrans-84-41.2176.2-62.1-174.6-179.3-167.51113N559N559-R561 PolarHBondContact O-N 3.17Å; N559-R561 WeakPolarHBondContact OD1-CB 3.3Å; N559-R561 PolarHBondContact OD1-N 3.03Å
562T78.5Confident83.3Confident72 Ų7272.2 Ų72.244%0.44238%0.383SS..THydrogen-bonded Turntrans-97.2-11.2-179.6600000113N559 E564N559-T562 WeakPolarHBondContact CB-OG1 3.37Å; N559-T562 PolarHBondContact ND2-OG1 2.73Å; N559-T562 VanDerWaalsContact ND2-OG1 3.1Å; N559-T562 PolarHBondContact O-N 3.33Å; N559-T562 PolarHBondContact OD1-N 3.47Å; T562-E564 WeakPolarHBondContact CB-OE2 3.43Å; T562-E564 PolarHBondContact O-N 3.32Å; T562-E564 WeakPolarHBondContact OG1-CB 3.26Å; T562-E564 VanDerWaalsContact OG1-CD 3.29Å; T562-E564 WeakPolarHBondContact OG1-CG 3.22Å; T562-E564 PolarHBondContact OG1-N 3.23Å; T562-E564 PolarHBondContact OG1-OE2 2.88Å
563A74.4Confident83.6Confident55 Ų5567.8 Ų67.846%0.45536%0.359SS..THydrogen-bonded Turntrans59.123.4-168.900000114F558 N559F558-A563 HydrophobicContact CE2-CB 4.41Å; F558-A563 HydrophobicContact CZ-CB 4.3Å; N559-A563 VanDerWaalsContact O-CA 3.31Å; N559-A563 WeakPolarHBondContact O-CA 3.19Å; N559-A563 PolarHBondContact O-N 2.94Å
564E80.4Confident83.8Confident123 Ų12367.6 Ų67.658%0.57537%0.368SS*.EExtended strand (participates in β ladder)trans-93.7155.9178.8-63.8164.8147.400111.9N559 T562N559-E564 PolarHBondContact N-O 3.33Å; T562-E564 WeakPolarHBondContact CB-OE2 3.43Å; T562-E564 PolarHBondContact O-N 3.32Å; T562-E564 WeakPolarHBondContact OG1-CB 3.26Å; T562-E564 VanDerWaalsContact OG1-CD 3.29Å; T562-E564 WeakPolarHBondContact OG1-CG 3.22Å; T562-E564 PolarHBondContact OG1-N 3.23Å; T562-E564 PolarHBondContact OG1-OE2 2.88Å
565W83.7Confident84.3Confident35 Ų3567.8 Ų67.813%0.13337%0.37CS..EExtended strand (participates in β ladder)trans-113.2131.6179.6-69.988.7000111.7Y525 L527 P540 A543 A544 H547 L557 F558 C567Y525-W565 HydrophobicContact CD1-CH2 4.1Å; Y525-W565 AromaticContact CD1-CZ2 3.56Å; Y525-W565 HydrophobicContact CD1-CZ2 3.56Å; Y525-W565 HydrophobicContact CD2-CZ2 4.31Å; Y525-W565 HydrophobicContact CE1-CH2 4.04Å; Y525-W565 AromaticContact CE1-CZ2 3.99Å; Y525-W565 HydrophobicContact CE1-CZ2 3.99Å; Y525-W565 HydrophobicContact CG-CH2 4.42Å; Y525-W565 AromaticContact CG-CZ2 3.72Å; Y525-W565 HydrophobicContact CG-CZ2 3.72Å; L527-W565 HydrophobicContact CD1-CZ2 4.31Å; P540-W565 HydrophobicContact CB-CB 3.46Å; P540-W565 VanDerWaalsContact CB-CB 3.46Å; P540-W565 HydrophobicContact CB-CD2 3.68Å; P540-W565 HydrophobicContact CB-CE3 4.24Å; P540-W565 HydrophobicContact CB-CG 3.31Å; P540-W565 HydrophobicContact CG-CB 4.32Å; P540-W565 HydrophobicContact CG-CG 4.06Å; A543-W565 HydrophobicContact CB-CE3 3.71Å; A543-W565 HydrophobicContact CB-CZ3 4.01Å; A544-W565 VanDerWaalsContact CA-CH2 3.41Å; A544-W565 HydrophobicContact CB-CH2 3.58Å; A544-W565 HydrophobicContact CB-CZ2 3.72Å; A544-W565 HydrophobicContact CB-CZ3 4.01Å; H547-W565 HydrophobicContact CB-CH2 3.83Å; H547-W565 HydrophobicContact CB-CZ3 4.01Å; L557-W565 CarbonylContact O-C 3.56Å; L557-W565 WeakPolarHBondContact O-CA 3.28Å; F558-W565 HydrophobicContact CB-CD2 4.4Å; F558-W565 HydrophobicContact CB-CE3 3.98Å; F558-W565 HydrophobicContact CB-CH2 3.95Å; F558-W565 HydrophobicContact CB-CZ2 4.39Å; F558-W565 HydrophobicContact CB-CZ3 3.74Å; F558-W565 AromaticContact CD2-CD2 3.72Å; F558-W565 HydrophobicContact CD2-CD2 3.72Å; F558-W565 AromaticContact CD2-CE2 3.41Å; F558-W565 VanDerWaalsContact CD2-CE2 3.41Å; F558-W565 HydrophobicContact CD2-CE3 4.17Å; F558-W565 HydrophobicContact CD2-CG 4.18Å; F558-W565 HydrophobicContact CD2-CH2 4.04Å; F558-W565 AromaticContact CD2-CZ2 3.6Å; F558-W565 HydrophobicContact CD2-CZ2 3.6Å; F558-W565 HydrophobicContact CD2-CZ3 4.32Å; F558-W565 AromaticContact CD2-NE1 3.7Å; F558-W565 AromaticContact CE2-CE2 3.9Å; F558-W565 HydrophobicContact CE2-CZ2 4.09Å; F558-W565 AromaticContact CE2-NE1 3.78Å; F558-W565 HydrophobicContact CG-CD2 4.48Å; F558-W565 HydrophobicContact CG-CE3 4.5Å; F558-W565 HydrophobicContact CG-CH2 4.09Å; F558-W565 HydrophobicContact CG-CZ2 4.08Å; F558-W565 HydrophobicContact CG-CZ3 4.32Å; W565-C567 PolarHBondContact O-N 3.1Å
566K83Confident84.7Confident122 Ų12264.7 Ų64.753%0.5335%0.348SS..  trans-76.8108.5168.1-169.1-162.8-178.1-146.20108.8L557 D568L557-K566 HydrophobicContact CD2-CD 4.41Å; L557-K566 PolarHBondContact O-N 3.23Å; K566-D568 VanDerWaalsContact C-N 3.33Å; K566-D568 HydrophobicContact CD-CB 4.4Å; K566-D568 IonicContact NZ-OD2 3.13Å; K566-D568 PolarHBondContact NZ-OD2 3.44Å; K566-D568 PolarHBondContact O-N 3.35Å
567C75Confident85.1Confident79 Ų7965.3 Ų65.353%0.53434%0.343SS..  trans-80.677.9179.6-63.70000111.2W565W565-C567 PolarHBondContact O-N 3.1Å
568D87.3Confident85.5Confident46 Ų4670.2 Ų70.225%0.24637%0.373CS..  trans-105.181.5177.4-162.8-33000110.2L557 K566 N570 Y571 C572L557-D568 HydrophobicContact CD2-CB 4.14Å; K566-D568 VanDerWaalsContact C-N 3.33Å; K566-D568 HydrophobicContact CD-CB 4.4Å; K566-D568 IonicContact NZ-OD2 3.13Å; K566-D568 PolarHBondContact NZ-OD2 3.44Å; K566-D568 PolarHBondContact O-N 3.35Å; D568-N570 VanDerWaalsContact C-N 3.33Å; D568-N570 PolarHBondContact O-N 2.96Å; D568-Y571 VanDerWaalsContact CG-CB 3.48Å; D568-Y571 PolarHBondContact O-N 3.4Å; D568-Y571 VanDerWaalsContact OD1-CB 3.29Å; D568-Y571 WeakPolarHBondContact OD1-CB 3.4Å; D568-Y571 PolarHBondContact OD1-N 2.7Å; D568-Y571 VanDerWaalsContact OD1-N 3.1Å; D568-C572 PolarHBondContact O-N 3.18Å; D568-C572 PolarHBondContact O-SG 3.47Å
569L88Confident85.8Confident42 Ų4270.3 Ų70.322%0.2237%0.374CS..Hα-helixtrans-61.8-40.5-173.7-178.357000112F536 L542 C572 L573 F588F536-L569 HydrophobicContact CE1-CD1 4.36Å; L542-L569 HydrophobicContact CD1-CD1 3.8Å; L569-C572 WeakPolarHBondContact O-CB 3.47Å; L569-C572 PolarHBondContact O-N 3.47Å; L569-L573 HydrophobicContact CD1-CD1 4.35Å; L569-L573 HydrophobicContact CD1-CG 4.15Å; L569-L573 HydrophobicContact CG-CD1 4.12Å; L569-L573 HydrophobicContact CG-CG 4.37Å; L569-L573 VanDerWaalsContact O-CG 3.31Å; L569-L573 WeakPolarHBondContact O-CG 3.18Å; L569-L573 PolarHBondContact O-N 3.09Å; L569-F588 HydrophobicContact CD2-CE1 3.97Å
570N89.8Confident86.3Confident118 Ų11868 Ų6863%0.63136%0.36SS*.Hα-helixtrans-63.8-46179.1-69.5-26.8000111.6D568 C572 L573 S574D568-N570 VanDerWaalsContact C-N 3.33Å; D568-N570 PolarHBondContact O-N 2.96Å; N570-C572 VanDerWaalsContact C-N 3.28Å; N570-C572 PolarHBondContact O-N 3.29Å; N570-L573 PolarHBondContact O-N 2.87Å; N570-S574 WeakPolarHBondContact O-CB 3.34Å; N570-S574 PolarHBondContact O-N 3.44Å; N570-S574 PolarHBondContact O-OG 3.14Å
571Y92.2Very high87.1Confident80 Ų8067 Ų6731%0.31436%0.358SS..Hα-helixtrans-59.6-40.3173.4177.1-96.2000111.8Y553 L557 D568 S575Y553-Y571 PolarHBondContact O-OH 3.14Å; L557-Y571 HydrophobicContact CD1-CD1 3.91Å; L557-Y571 HydrophobicContact CD1-CE1 4Å; L557-Y571 HydrophobicContact CD2-CD1 3.78Å; L557-Y571 HydrophobicContact CD2-CE1 4.15Å; L557-Y571 HydrophobicContact CG-CD1 4.17Å; L557-Y571 HydrophobicContact CG-CE1 4.15Å; D568-Y571 VanDerWaalsContact CG-CB 3.48Å; D568-Y571 PolarHBondContact O-N 3.4Å; D568-Y571 VanDerWaalsContact OD1-CB 3.29Å; D568-Y571 WeakPolarHBondContact OD1-CB 3.4Å; D568-Y571 PolarHBondContact OD1-N 2.7Å; D568-Y571 VanDerWaalsContact OD1-N 3.1Å; Y571-S575 VanDerWaalsContact O-CB 3.24Å; Y571-S575 WeakPolarHBondContact O-CB 3.33Å; Y571-S575 PolarHBondContact O-N 2.91Å; Y571-S575 PolarHBondContact O-OG 2.9Å
572C91.7Very high88Confident3 Ų356.8 Ų56.82%0.0232%0.32CS..Hα-helixtrans-63.2-47.7177.9-65.90000112.2L542 L546 D568 L569 N570 S575 V576L542-C572 HydrophobicContact CB-CB 3.72Å; L542-C572 HydrophobicContact CD1-CB 4.11Å; L546-C572 HydrophobicContact CD1-CB 3.87Å; D568-C572 PolarHBondContact O-N 3.18Å; D568-C572 PolarHBondContact O-SG 3.47Å; L569-C572 WeakPolarHBondContact O-CB 3.47Å; L569-C572 PolarHBondContact O-N 3.47Å; N570-C572 VanDerWaalsContact C-N 3.28Å; N570-C572 PolarHBondContact O-N 3.29Å; C572-S575 PolarHBondContact O-N 3.36Å; C572-V576 WeakPolarHBondContact O-CG2 3.29Å; C572-V576 PolarHBondContact O-N 2.94Å
573L92.6Very high88.6Confident9 Ų957.3 Ų57.35%0.04733%0.325CS..Hα-helixtrans-61.8-48.7178.8-69.4175.6000111.6F536 L542 L569 N570 S575 V576 Q577 P584 F588 Y596F536-L573 HydrophobicContact CZ-CD2 4.11Å; L542-L573 HydrophobicContact CD1-CD2 3.85Å; L542-L573 HydrophobicContact CD1-CG 4.45Å; L569-L573 HydrophobicContact CD1-CD1 4.35Å; L569-L573 HydrophobicContact CD1-CG 4.15Å; L569-L573 HydrophobicContact CG-CD1 4.12Å; L569-L573 HydrophobicContact CG-CG 4.37Å; L569-L573 VanDerWaalsContact O-CG 3.31Å; L569-L573 WeakPolarHBondContact O-CG 3.18Å; L569-L573 PolarHBondContact O-N 3.09Å; N570-L573 PolarHBondContact O-N 2.87Å; L573-S575 VanDerWaalsContact C-N 3.29Å; L573-S575 PolarHBondContact O-N 3.31Å; L573-V576 PolarHBondContact O-N 2.93Å; L573-Q577 PolarHBondContact O-N 3.33Å; L573-P584 HydrophobicContact CB-CB 4.28Å; L573-P584 HydrophobicContact CD1-CB 4.15Å; L573-P584 HydrophobicContact CD2-CB 4.32Å; L573-P584 HydrophobicContact CG-CB 4.48Å; L573-F588 HydrophobicContact CD1-CE1 4.09Å; L573-F588 HydrophobicContact CD1-CZ 3.9Å; L573-Y596 HydrophobicContact CD2-CE1 4.06Å; L573-Y596 HydrophobicContact CD2-CE2 4.27Å; L573-Y596 VanDerWaalsContact CD2-OH 3.29Å; L573-Y596 WeakPolarHBondContact CD2-OH 3.38Å
574S92.5Very high89.4Confident67 Ų6757.2 Ų57.247%0.46932%0.319SS..Hα-helixtrans-61.5-36.7176.4-61.40000112.4N570 T578N570-S574 WeakPolarHBondContact O-CB 3.34Å; N570-S574 PolarHBondContact O-N 3.44Å; N570-S574 PolarHBondContact O-OG 3.14Å; S574-T578 WeakPolarHBondContact O-CB 3.26Å; S574-T578 PolarHBondContact O-N 2.84Å; S574-T578 PolarHBondContact O-OG1 3.24Å
575S92.3Very high89.9Confident5 Ų551.8 Ų51.84%0.03530%0.295CS..Hα-helixtrans-67.7-43.4175.7-61.70000111.8Y571 C572 L573 T578 L579Y571-S575 VanDerWaalsContact O-CB 3.24Å; Y571-S575 WeakPolarHBondContact O-CB 3.33Å; Y571-S575 PolarHBondContact O-N 2.91Å; Y571-S575 PolarHBondContact O-OG 2.9Å; C572-S575 PolarHBondContact O-N 3.36Å; L573-S575 VanDerWaalsContact C-N 3.29Å; L573-S575 PolarHBondContact O-N 3.31Å; S575-T578 PolarHBondContact O-N 3.14Å; S575-L579 WeakPolarHBondContact O-CB 3.26Å; S575-L579 WeakPolarHBondContact O-CD1 3.44Å; S575-L579 WeakPolarHBondContact O-CG 3.28Å; S575-L579 PolarHBondContact O-N 3.24Å
576V91.7Very high90Very high1 Ų159.3 Ų59.31%0.00633%0.331CS..Hα-helixtrans-59.9-47.4174.3164.90000111.1L546 C572 L573 T578 L579 W580 I582 Y596 L600L546-V576 HydrophobicContact CD2-CG2 4.24Å; C572-V576 WeakPolarHBondContact O-CG2 3.29Å; C572-V576 PolarHBondContact O-N 2.94Å; L573-V576 PolarHBondContact O-N 2.93Å; V576-T578 VanDerWaalsContact C-N 3.33Å; V576-T578 PolarHBondContact O-N 2.98Å; V576-L579 PolarHBondContact O-N 3.35Å; V576-W580 HydrophobicContact CB-CE3 4.26Å; V576-W580 HydrophobicContact CG1-CE3 4.1Å; V576-W580 HydrophobicContact CG2-CE3 3.95Å; V576-W580 HydrophobicContact CG2-CZ3 3.87Å; V576-W580 PolarHBondContact O-N 2.74Å; V576-I582 HydrophobicContact CG1-CB 3.95Å; V576-I582 HydrophobicContact CG1-CD1 4.47Å; V576-Y596 WeakPolarHBondContact CB-OH 3.22Å; V576-Y596 HydrophobicContact CG1-CE2 4.32Å; V576-Y596 WeakPolarHBondContact CG1-OH 3.28Å; V576-L600 HydrophobicContact CG1-CD1 4.44Å; V576-L600 HydrophobicContact CG1-CD2 3.83Å; V576-L600 HydrophobicContact CG1-CG 4.31Å; V576-L600 HydrophobicContact CG2-CD2 4.25Å
577Q94Very high89.8Confident97 Ų9756.1 Ų56.145%0.45332%0.324SS..Hα-helixtrans-60.9-42.9178.4-170.6178.91300111.5L573 G581 I582L573-Q577 PolarHBondContact O-N 3.33Å; Q577-G581 VanDerWaalsContact O-CA 3.27Å; Q577-G581 WeakPolarHBondContact O-CA 3.41Å; Q577-G581 PolarHBondContact O-N 3.29Å; Q577-I582 VanDerWaalsContact CA-O 3.25Å; Q577-I582 WeakPolarHBondContact CA-O 3.13Å; Q577-I582 WeakPolarHBondContact CB-O 3.24Å
578T93.3Very high90.3Very high107 Ų10756.1 Ų56.166%0.65632%0.316SS*.Hα-helixtrans-68-39.5178.2-560000112.7S574 S575 V576S574-T578 WeakPolarHBondContact O-CB 3.26Å; S574-T578 PolarHBondContact O-N 2.84Å; S574-T578 PolarHBondContact O-OG1 3.24Å; S575-T578 PolarHBondContact O-N 3.14Å; V576-T578 VanDerWaalsContact C-N 3.33Å; V576-T578 PolarHBondContact O-N 2.98Å
579L91.6Very high90.2Very high32 Ų3257 Ų5717%0.16832%0.32CS..Hα-helixtrans-84.4-33.6-173.6-73.2170000114L546 R550 Y553 S575 V576L546-L579 HydrophobicContact CD2-CD1 3.76Å; R550-L579 HydrophobicContact CB-CD1 4.31Å; R550-L579 HydrophobicContact CG-CD1 4.11Å; R550-L579 HydrophobicContact CG-CD2 4.41Å; Y553-L579 HydrophobicContact CD1-CD1 4Å; Y553-L579 HydrophobicContact CD1-CG 4.42Å; Y553-L579 HydrophobicContact CD2-CD1 4.16Å; Y553-L579 HydrophobicContact CD2-CD2 4.14Å; Y553-L579 HydrophobicContact CE1-CD1 4.33Å; Y553-L579 HydrophobicContact CE1-CD2 4.25Å; Y553-L579 HydrophobicContact CE1-CG 4.25Å; Y553-L579 HydrophobicContact CE2-CD2 3.76Å; Y553-L579 HydrophobicContact CG-CD1 3.92Å; S575-L579 WeakPolarHBondContact O-CB 3.26Å; S575-L579 WeakPolarHBondContact O-CD1 3.44Å; S575-L579 WeakPolarHBondContact O-CG 3.28Å; S575-L579 PolarHBondContact O-N 3.24Å; V576-L579 PolarHBondContact O-N 3.35Å
580W91.3Very high90Very high26 Ų2656.9 Ų56.910%0.09832%0.32CS..Hα-helixtrans-132.3-0.6-166.2-59.8-42000113.8L546 R550 V576 I582 L600 V603 L604L546-W580 HydrophobicContact CD2-CH2 3.82Å; L546-W580 HydrophobicContact CD2-CZ3 3.84Å; R550-W580 HydrophobicContact CG-CZ2 4.17Å; V576-W580 HydrophobicContact CB-CE3 4.26Å; V576-W580 HydrophobicContact CG1-CE3 4.1Å; V576-W580 HydrophobicContact CG2-CE3 3.95Å; V576-W580 HydrophobicContact CG2-CZ3 3.87Å; V576-W580 PolarHBondContact O-N 2.74Å; W580-I582 HydrophobicContact CB-CD1 4.28Å; W580-I582 HydrophobicContact CB-CG1 4.37Å; W580-I582 PolarHBondContact O-N 2.85Å; W580-L600 HydrophobicContact CE3-CD2 3.53Å; W580-L600 HydrophobicContact CZ3-CD2 3.82Å; W580-V603 HydrophobicContact CB-CG1 4.14Å; W580-V603 HydrophobicContact CG-CG1 4.25Å; W580-L604 HydrophobicContact CD2-CD2 3.99Å; W580-L604 HydrophobicContact CE3-CD1 4.22Å; W580-L604 HydrophobicContact CE3-CD2 4.41Å; W580-L604 HydrophobicContact CH2-CD1 3.99Å; W580-L604 HydrophobicContact CH2-CD2 4.15Å; W580-L604 HydrophobicContact CZ2-CD1 4.4Å; W580-L604 HydrophobicContact CZ2-CD2 3.71Å; W580-L604 HydrophobicContact CZ3-CD1 3.88Å; W580-L604 HydrophobicContact CZ3-CD2 4.47Å
581G91.8Very high89.7Confident60 Ų6055.6 Ų55.662%0.61932%0.32SS*.  trans73.45.617500000115Q577 P583Q577-G581 VanDerWaalsContact O-CA 3.27Å; Q577-G581 WeakPolarHBondContact O-CA 3.41Å; Q577-G581 PolarHBondContact O-N 3.29Å; G581-P583 WeakPolarHBondContact O-CD 3.36Å
582I92.2Very high89.5Confident14 Ų1453.4 Ų53.47%0.07231%0.314CS..PPolyproline II helixtrans-84.1117.8-176.9-56.3170.5000108.5V576 Q577 W580 Y596 C599 L600 V603V576-I582 HydrophobicContact CG1-CB 3.95Å; V576-I582 HydrophobicContact CG1-CD1 4.47Å; Q577-I582 VanDerWaalsContact CA-O 3.25Å; Q577-I582 WeakPolarHBondContact CA-O 3.13Å; Q577-I582 WeakPolarHBondContact CB-O 3.24Å; W580-I582 HydrophobicContact CB-CD1 4.28Å; W580-I582 HydrophobicContact CB-CG1 4.37Å; W580-I582 PolarHBondContact O-N 2.85Å; I582-Y596 HydrophobicContact CG2-CD2 3.7Å; I582-Y596 HydrophobicContact CG2-CE2 3.64Å; I582-C599 HydrophobicContact CD1-CB 4.28Å; I582-C599 HydrophobicContact CG2-CB 4.12Å; I582-L600 HydrophobicContact CD1-CB 4.27Å; I582-L600 HydrophobicContact CD1-CD2 3.78Å; I582-L600 HydrophobicContact CD1-CG 3.73Å; I582-V603 HydrophobicContact CD1-CB 4.37Å; I582-V603 HydrophobicContact CD1-CG2 4.14Å
583P92.6Very high89.4Confident83 Ų8353.2 Ų53.254%0.53931%0.313SS..PPolyproline II helixtrans-67.4150.2177.529.8-35000110.8G581 Y596G581-P583 WeakPolarHBondContact O-CD 3.36Å; P583-Y596 WeakPolarHBondContact O-CD2 3.38Å; P583-Y596 WeakPolarHBondContact O-CE2 3.34Å
584P90.7Very high89.2Confident52 Ų5253.2 Ų53.234%0.33831%0.312SS..PPolyproline II helixtrans-59.915417426.8-35.2000111.8L573L573-P584 HydrophobicContact CB-CB 4.28Å; L573-P584 HydrophobicContact CD1-CB 4.15Å; L573-P584 HydrophobicContact CD2-CB 4.32Å; L573-P584 HydrophobicContact CG-CB 4.48Å
585P89.7Confident89Confident10 Ų1053 Ų537%0.06531%0.311CS..PPolyproline II helixtrans-60142.5174.727-34.1000110.8F536 F588 D592F536-P585 HydrophobicContact CE1-CG 4.21Å; F536-P585 HydrophobicContact CZ-CG 4.12Å; P585-F588 HydrophobicContact CG-CD1 4.15Å; P585-F588 HydrophobicContact CG-CE1 3.88Å; P585-F588 HydrophobicContact CG-CZ 4.18Å; P585-D592 VanDerWaalsContact C-OD2 3.32Å; P585-D592 VanDerWaalsContact CA-OD2 3.28Å; P585-D592 WeakPolarHBondContact CA-OD2 3.3Å; P585-D592 VanDerWaalsContact CB-OD2 3.22Å; P585-D592 WeakPolarHBondContact CB-OD2 3.49Å
586Q86.5Confident89Confident193 Ų19353.1 Ų53.190%0.90231%0.31SS*.SBendtrans-79.3-42.3178.4-58.2-176.318.600111D592Q586-D592 PolarHBondContact N-OD2 2.97Å
587S80.1Confident89.1Confident54 Ų5453.1 Ų53.138%0.37831%0.31SS..SBendtrans-120.6121.7175.850.60000108.6D589 D592S587-D589 WeakPolarHBondContact CB-OD2 3.18Å; S587-D589 PolarHBondContact O-N 2.89Å; S587-D589 PolarHBondContact OG-OD2 3.28Å; S587-D592 PolarHBondContact N-OD2 2.91Å; S587-D592 VanDerWaalsContact O-CB 3.3Å; S587-D592 WeakPolarHBondContact O-CB 3.27Å
588F84.3Confident88.8Confident80 Ų8050.4 Ų50.435%0.35130%0.302SS..  trans-72.325.4179.5-73-94.2000113.4F536 R537 L569 L573 P585 I593F536-F588 AromaticContact CE1-CD1 3.97Å; F536-F588 HydrophobicContact CE1-CD1 3.97Å; F536-F588 AromaticContact CE1-CE1 3.98Å; F536-F588 HydrophobicContact CE1-CE1 3.98Å; R537-F588 VanDerWaalsContact CZ-O 3.24Å; R537-F588 PolarHBondContact NE-O 3.44Å; R537-F588 PolarHBondContact NH2-O 3.2Å; L569-F588 HydrophobicContact CD2-CE1 3.97Å; L573-F588 HydrophobicContact CD1-CE1 4.09Å; L573-F588 HydrophobicContact CD1-CZ 3.9Å; P585-F588 HydrophobicContact CG-CD1 4.15Å; P585-F588 HydrophobicContact CG-CE1 3.88Å; P585-F588 HydrophobicContact CG-CZ 4.18Å; F588-I593 HydrophobicContact CB-CD1 4.45Å; F588-I593 WeakPolarHBondContact O-CD1 3.46Å
589D86.3Confident88.8Confident65 Ų6548.2 Ų48.235%0.34829%0.29SS..SBendtrans-72.8177.2173.97162.4000112.1S587 S591 D592 I593S587-D589 WeakPolarHBondContact CB-OD2 3.18Å; S587-D589 PolarHBondContact O-N 2.89Å; S587-D589 PolarHBondContact OG-OD2 3.28Å; D589-S591 WeakPolarHBondContact OD1-CA 3.19Å; D589-S591 WeakPolarHBondContact OD1-CB 3.46Å; D589-S591 PolarHBondContact OD1-N 3.42Å; D589-D592 PolarHBondContact OD1-N 3.41Å; D589-I593 VanDerWaalsContact O-CB 3.26Å; D589-I593 WeakPolarHBondContact O-CB 3.29Å; D589-I593 WeakPolarHBondContact O-CD1 3.15Å; D589-I593 WeakPolarHBondContact O-CG1 3.34Å; D589-I593 PolarHBondContact O-N 3.13Å
590N82.3Confident88.8Confident38 Ų3846.8 Ų46.820%0.20328%0.283CS..Hα-helixtrans-65.6-44.9-177.5-176.9-86.9000112D204 T533 I593 F594D204-N590 PolarHBondContact O-ND2 2.75Å; T533-N590 PolarHBondContact OG1-ND2 3.04Å; N590-I593 PolarHBondContact O-N 3.48Å; N590-F594 WeakPolarHBondContact O-CB 3.28Å; N590-F594 VanDerWaalsContact O-CD2 3.29Å; N590-F594 WeakPolarHBondContact O-CD2 3.38Å; N590-F594 PolarHBondContact O-N 3.44Å; N590-F594 WeakPolarHBondContact OD1-CD2 3.4Å
591S84Confident88.7Confident91 Ų9148.2 Ų48.264%0.63629%0.29SS*.Hα-helixtrans-65.5-46.4-173.8-168.70000112D589 F594 S595D589-S591 WeakPolarHBondContact OD1-CA 3.19Å; D589-S591 WeakPolarHBondContact OD1-CB 3.46Å; D589-S591 PolarHBondContact OD1-N 3.42Å; S591-F594 PolarHBondContact O-N 2.89Å; S591-S595 WeakPolarHBondContact O-CB 3.36Å; S591-S595 PolarHBondContact O-N 2.87Å
592D87.9Confident88.5Confident34 Ų3448.4 Ų48.418%0.18229%0.286CS..Hα-helixtrans-76.5-32.1-178.3-171.735000111.9P585 Q586 S587 D589 S595 Y596P585-D592 VanDerWaalsContact C-OD2 3.32Å; P585-D592 VanDerWaalsContact CA-OD2 3.28Å; P585-D592 WeakPolarHBondContact CA-OD2 3.3Å; P585-D592 VanDerWaalsContact CB-OD2 3.22Å; P585-D592 WeakPolarHBondContact CB-OD2 3.49Å; Q586-D592 PolarHBondContact N-OD2 2.97Å; S587-D592 PolarHBondContact N-OD2 2.91Å; S587-D592 VanDerWaalsContact O-CB 3.3Å; S587-D592 WeakPolarHBondContact O-CB 3.27Å; D589-D592 PolarHBondContact OD1-N 3.41Å; D592-S595 WeakPolarHBondContact O-CB 3.35Å; D592-S595 PolarHBondContact O-N 2.89Å; D592-Y596 VanDerWaalsContact O-CB 3.29Å; D592-Y596 WeakPolarHBondContact O-CB 3.39Å; D592-Y596 PolarHBondContact O-N 3.4Å
593I90.1Very high88.3Confident0 Ų050 Ų500%030%0.296CS..Hα-helixtrans-62.3-44.1167.8-73.4171.2000111.2V532 T533 F536 R537 F588 D589 N590 L597V532-I593 HydrophobicContact CG1-CG2 4.45Å; T533-I593 HydrophobicContact CG2-CD1 4.04Å; F536-I593 HydrophobicContact CB-CD1 4.48Å; F536-I593 HydrophobicContact CB-CG2 3.95Å; F536-I593 HydrophobicContact CD1-CD1 3.58Å; F536-I593 HydrophobicContact CD1-CG1 3.77Å; F536-I593 HydrophobicContact CD1-CG2 4.1Å; F536-I593 HydrophobicContact CD2-CG2 3.96Å; F536-I593 HydrophobicContact CE1-CD1 4.09Å; F536-I593 HydrophobicContact CE1-CG1 3.85Å; F536-I593 HydrophobicContact CE2-CG2 4.44Å; F536-I593 HydrophobicContact CG-CD1 4.21Å; F536-I593 HydrophobicContact CG-CG1 4.3Å; F536-I593 HydrophobicContact CG-CG2 3.75Å; F536-I593 HydrophobicContact CZ-CG1 4.44Å; R537-I593 HydrophobicContact CG-CD1 4.22Å; F588-I593 HydrophobicContact CB-CD1 4.45Å; F588-I593 WeakPolarHBondContact O-CD1 3.46Å; D589-I593 VanDerWaalsContact O-CB 3.26Å; D589-I593 WeakPolarHBondContact O-CB 3.29Å; D589-I593 WeakPolarHBondContact O-CD1 3.15Å; D589-I593 WeakPolarHBondContact O-CG1 3.34Å; D589-I593 PolarHBondContact O-N 3.13Å; N590-I593 PolarHBondContact O-N 3.48Å; I593-L597 HydrophobicContact CG2-CD1 3.74Å; I593-L597 HydrophobicContact CG2-CG 4.34Å; I593-L597 VanDerWaalsContact O-CB 3.28Å; I593-L597 WeakPolarHBondContact O-CB 3.48Å; I593-L597 VanDerWaalsContact O-CG 3.26Å; I593-L597 WeakPolarHBondContact O-CG 3.33Å; I593-L597 PolarHBondContact O-N 2.99Å
594F87.4Confident88.1Confident8 Ų846 Ų464%0.03527%0.27CS..Hα-helixtrans-65.9-37.2176.2-93.7-81.2000111.9H511 L514 V515 V532 N590 S591 S598H511-F594 HydrophobicContact CB-CE1 4.2Å; H511-F594 AromaticContact CD2-CD1 3.29Å; H511-F594 WeakPolarHBondContact CD2-CD1 3.5Å; H511-F594 AromaticContact CD2-CE1 3.68Å; H511-F594 AromaticContact CD2-CG 3.96Å; H511-F594 AromaticContact NE2-CD1 3.85Å; L514-F594 HydrophobicContact CD2-CD1 3.56Å; L514-F594 HydrophobicContact CD2-CE1 3.95Å; V515-F594 HydrophobicContact CG2-CE1 4.48Å; V532-F594 HydrophobicContact CB-CE1 4.42Å; V532-F594 HydrophobicContact CB-CE2 3.93Å; V532-F594 HydrophobicContact CB-CZ 3.72Å; V532-F594 HydrophobicContact CG1-CE1 4.27Å; V532-F594 HydrophobicContact CG1-CE2 4.14Å; V532-F594 HydrophobicContact CG1-CZ 3.99Å; V532-F594 HydrophobicContact CG2-CE1 4.09Å; V532-F594 HydrophobicContact CG2-CE2 4.28Å; V532-F594 HydrophobicContact CG2-CZ 3.57Å; N590-F594 WeakPolarHBondContact O-CB 3.28Å; N590-F594 VanDerWaalsContact O-CD2 3.29Å; N590-F594 WeakPolarHBondContact O-CD2 3.38Å; N590-F594 PolarHBondContact O-N 3.44Å; N590-F594 WeakPolarHBondContact OD1-CD2 3.4Å; S591-F594 PolarHBondContact O-N 2.89Å; F594-S598 VanDerWaalsContact O-CB 3.26Å; F594-S598 WeakPolarHBondContact O-CB 3.14Å; F594-S598 PolarHBondContact O-N 3.38Å; F594-S598 PolarHBondContact O-OG 2.94Å
595S88.8Confident87.5Confident63 Ų6346.1 Ų46.144%0.44127%0.272SS..Hα-helixtrans-60.8-54.9172.4-175.30000111.7S591 D592 L597 S598 C599S591-S595 WeakPolarHBondContact O-CB 3.36Å; S591-S595 PolarHBondContact O-N 2.87Å; D592-S595 WeakPolarHBondContact O-CB 3.35Å; D592-S595 PolarHBondContact O-N 2.89Å; S595-L597 PolarHBondContact O-N 2.62Å; S595-S598 WeakPolarHBondContact O-CA 3.39Å; S595-S598 WeakPolarHBondContact O-CB 3.29Å; S595-S598 PolarHBondContact O-N 3.07Å; S595-C599 PolarHBondContact O-N 3.31Å; S595-C599 PolarHBondContact O-SG 3.17Å
596Y93.3Very high86.7Confident8 Ų851.3 Ų51.33%0.03131%0.307CS..Hα-helixtrans-56.9-44.6177.5174.7-94.1000112.7F536 L542 L573 V576 I582 P583 D592 S598 C599 L600F536-Y596 AromaticContact CE2-CD1 3.54Å; F536-Y596 HydrophobicContact CE2-CD1 3.54Å; F536-Y596 AromaticContact CE2-CE1 3.57Å; F536-Y596 HydrophobicContact CE2-CE1 3.57Å; F536-Y596 AromaticContact CZ-CD1 3.72Å; F536-Y596 HydrophobicContact CZ-CD1 3.72Å; F536-Y596 AromaticContact CZ-CE1 3.76Å; F536-Y596 HydrophobicContact CZ-CE1 3.76Å; L542-Y596 HydrophobicContact CD1-CE1 4.23Å; L542-Y596 HydrophobicContact CD2-CE1 4.17Å; L573-Y596 HydrophobicContact CD2-CE1 4.06Å; L573-Y596 HydrophobicContact CD2-CE2 4.27Å; L573-Y596 VanDerWaalsContact CD2-OH 3.29Å; L573-Y596 WeakPolarHBondContact CD2-OH 3.38Å; V576-Y596 WeakPolarHBondContact CB-OH 3.22Å; V576-Y596 HydrophobicContact CG1-CE2 4.32Å; V576-Y596 WeakPolarHBondContact CG1-OH 3.28Å; I582-Y596 HydrophobicContact CG2-CD2 3.7Å; I582-Y596 HydrophobicContact CG2-CE2 3.64Å; P583-Y596 WeakPolarHBondContact O-CD2 3.38Å; P583-Y596 WeakPolarHBondContact O-CE2 3.34Å; D592-Y596 VanDerWaalsContact O-CB 3.29Å; D592-Y596 WeakPolarHBondContact O-CB 3.39Å; D592-Y596 PolarHBondContact O-N 3.4Å; Y596-S598 VanDerWaalsContact C-N 3.34Å; Y596-C599 PolarHBondContact O-N 2.83Å; Y596-L600 HydrophobicContact CD1-CD1 3.93Å; Y596-L600 HydrophobicContact CE1-CD1 3.38Å; Y596-L600 HydrophobicContact CE1-CG 4.44Å; Y596-L600 PolarHBondContact O-N 2.91Å
597L92.1Very high86.4Confident0 Ų047.7 Ų47.70%029%0.285CS..Hα-helixtrans-69.1-30.4176.4-72.3174.8000112.6L514 L518 V532 F536 L541 L542 I593 S595 L600 F601L514-L597 HydrophobicContact CD1-CB 4.07Å; L514-L597 VanDerWaalsContact CD1-O 3.28Å; L514-L597 WeakPolarHBondContact CD1-O 3.29Å; L514-L597 HydrophobicContact CD2-CB 3.88Å; L518-L597 HydrophobicContact CD1-CD1 4.35Å; V532-L597 HydrophobicContact CG1-CD1 3.41Å; V532-L597 VanDerWaalsContact CG1-CD1 3.41Å; F536-L597 HydrophobicContact CD2-CD1 3.97Å; F536-L597 HydrophobicContact CD2-CD2 3.93Å; F536-L597 HydrophobicContact CD2-CG 4.04Å; F536-L597 HydrophobicContact CE2-CD2 4Å; F536-L597 HydrophobicContact CE2-CG 4.15Å; L541-L597 HydrophobicContact CD2-CD2 3.87Å; L542-L597 HydrophobicContact CD2-CD2 4.12Å; I593-L597 HydrophobicContact CG2-CD1 3.74Å; I593-L597 HydrophobicContact CG2-CG 4.34Å; I593-L597 VanDerWaalsContact O-CB 3.28Å; I593-L597 WeakPolarHBondContact O-CB 3.48Å; I593-L597 VanDerWaalsContact O-CG 3.26Å; I593-L597 WeakPolarHBondContact O-CG 3.33Å; I593-L597 PolarHBondContact O-N 2.99Å; S595-L597 PolarHBondContact O-N 2.62Å; L597-L600 HydrophobicContact CD2-CD1 4.06Å; L597-L600 WeakPolarHBondContact O-CB 3.42Å; L597-L600 PolarHBondContact O-N 3.33Å; L597-F601 WeakPolarHBondContact O-CB 3.5Å; L597-F601 PolarHBondContact O-N 3.14Å
598S89.7Confident85.9Confident41 Ų4149.8 Ų49.829%0.28731%0.306SS..Hα-helixtrans-70.2-39.1173.3-60.50000112F594 S595 Y596 L600 F601 A602F594-S598 VanDerWaalsContact O-CB 3.26Å; F594-S598 WeakPolarHBondContact O-CB 3.14Å; F594-S598 PolarHBondContact O-N 3.38Å; F594-S598 PolarHBondContact O-OG 2.94Å; S595-S598 WeakPolarHBondContact O-CA 3.39Å; S595-S598 WeakPolarHBondContact O-CB 3.29Å; S595-S598 PolarHBondContact O-N 3.07Å; Y596-S598 VanDerWaalsContact C-N 3.34Å; S598-L600 VanDerWaalsContact C-N 3.35Å; S598-F601 PolarHBondContact O-N 3.04Å; S598-A602 WeakPolarHBondContact O-CB 3.33Å; S598-A602 PolarHBondContact O-N 3.31Å
599C91.5Very high85.3Confident60 Ų6048.5 Ų48.541%0.40530%0.302SS..Hα-helixtrans-60.6-43.8170-68.80000111.5I582 S595 Y596 A602 V603I582-C599 HydrophobicContact CD1-CB 4.28Å; I582-C599 HydrophobicContact CG2-CB 4.12Å; S595-C599 PolarHBondContact O-N 3.31Å; S595-C599 PolarHBondContact O-SG 3.17Å; Y596-C599 PolarHBondContact O-N 2.83Å; C599-A602 PolarHBondContact O-N 2.83Å; C599-V603 WeakPolarHBondContact O-CG2 3.45Å; C599-V603 PolarHBondContact O-N 3.19Å; C599-V603 VanDerWaalsContact O-N 3.09Å
600L91.4Very high84.5Confident2 Ų247.3 Ų47.31%0.0130%0.298CS..Hα-helixtrans-59.7-46.4173.1-89.9166.2000111.8W517 L542 V576 W580 I582 Y596 L597 S598 A602 V603 L604W517-L600 HydrophobicContact CH2-CB 4.37Å; L542-L600 HydrophobicContact CD2-CD1 3.85Å; V576-L600 HydrophobicContact CG1-CD1 4.44Å; V576-L600 HydrophobicContact CG1-CD2 3.83Å; V576-L600 HydrophobicContact CG1-CG 4.31Å; V576-L600 HydrophobicContact CG2-CD2 4.25Å; W580-L600 HydrophobicContact CE3-CD2 3.53Å; W580-L600 HydrophobicContact CZ3-CD2 3.82Å; I582-L600 HydrophobicContact CD1-CB 4.27Å; I582-L600 HydrophobicContact CD1-CD2 3.78Å; I582-L600 HydrophobicContact CD1-CG 3.73Å; Y596-L600 HydrophobicContact CD1-CD1 3.93Å; Y596-L600 HydrophobicContact CE1-CD1 3.38Å; Y596-L600 HydrophobicContact CE1-CG 4.44Å; Y596-L600 PolarHBondContact O-N 2.91Å; L597-L600 HydrophobicContact CD2-CD1 4.06Å; L597-L600 WeakPolarHBondContact O-CB 3.42Å; L597-L600 PolarHBondContact O-N 3.33Å; S598-L600 VanDerWaalsContact C-N 3.35Å; L600-A602 PolarHBondContact O-N 2.6Å; L600-V603 PolarHBondContact O-N 3.06Å; L600-L604 HydrophobicContact CD2-CD1 3.8Å; L600-L604 WeakPolarHBondContact O-CB 3.01Å; L600-L604 VanDerWaalsContact O-CG 3.23Å; L600-L604 WeakPolarHBondContact O-CG 3.47Å; L600-L604 PolarHBondContact O-N 3.03Å
601F90.2Very high83.9Confident56 Ų5649.3 Ų49.325%0.24631%0.313CS..Hα-helixtrans-60.3-44.7177.2173.8-127.6000111.9A513 L514 W517 L597 S598 V603 L604 S605A513-F601 HydrophobicContact CB-CE1 4.26Å; A513-F601 HydrophobicContact CB-CZ 4.36Å; L514-F601 HydrophobicContact CD1-CB 3.59Å; L514-F601 HydrophobicContact CD1-CG 4.13Å; W517-F601 HydrophobicContact CB-CD2 3.65Å; W517-F601 HydrophobicContact CB-CE2 3.51Å; W517-F601 HydrophobicContact CB-CZ 4.43Å; W517-F601 AromaticContact CD1-CD2 3.8Å; W517-F601 AromaticContact CD1-CE2 3.9Å; W517-F601 HydrophobicContact CD2-CB 4.32Å; W517-F601 AromaticContact CD2-CD2 3.48Å; W517-F601 HydrophobicContact CD2-CD2 3.48Å; W517-F601 VanDerWaalsContact CD2-CD2 3.48Å; W517-F601 HydrophobicContact CD2-CE2 4.23Å; W517-F601 HydrophobicContact CD2-CG 4.28Å; W517-F601 HydrophobicContact CE3-CB 3.93Å; W517-F601 AromaticContact CE3-CD2 3.89Å; W517-F601 HydrophobicContact CE3-CD2 3.89Å; W517-F601 HydrophobicContact CE3-CG 4.25Å; W517-F601 AromaticContact CG-CD2 3.34Å; W517-F601 HydrophobicContact CG-CD2 3.34Å; W517-F601 AromaticContact CG-CE2 3.59Å; W517-F601 HydrophobicContact CG-CE2 3.59Å; W517-F601 HydrophobicContact CG-CG 4.45Å; W517-F601 HydrophobicContact CZ3-CB 4.07Å; L597-F601 WeakPolarHBondContact O-CB 3.5Å; L597-F601 PolarHBondContact O-N 3.14Å; S598-F601 PolarHBondContact O-N 3.04Å; F601-V603 VanDerWaalsContact C-N 3.33Å; F601-V603 PolarHBondContact O-N 3.14Å; F601-L604 PolarHBondContact O-N 2.8Å; F601-S605 WeakPolarHBondContact O-CB 3.16Å; F601-S605 PolarHBondContact O-N 3.02Å; F601-S605 PolarHBondContact O-OG 3.21Å
602A87.4Confident83.3Confident65 Ų6545.5 Ų45.554%0.53729%0.287SS..Hα-helixtrans-60.8-38.6176.400000112.9S598 C599 L600S598-A602 WeakPolarHBondContact O-CB 3.33Å; S598-A602 PolarHBondContact O-N 3.31Å; C599-A602 PolarHBondContact O-N 2.83Å; L600-A602 PolarHBondContact O-N 2.6Å
603V88.7Confident82.2Confident47 Ų4746.3 Ų46.329%0.28529%0.293SS..Hα-helixtrans-78.7-24.8179.81750000113.2W580 I582 C599 L600 F601 R607W580-V603 HydrophobicContact CB-CG1 4.14Å; W580-V603 HydrophobicContact CG-CG1 4.25Å; I582-V603 HydrophobicContact CD1-CB 4.37Å; I582-V603 HydrophobicContact CD1-CG2 4.14Å; C599-V603 WeakPolarHBondContact O-CG2 3.45Å; C599-V603 PolarHBondContact O-N 3.19Å; C599-V603 VanDerWaalsContact O-N 3.09Å; L600-V603 PolarHBondContact O-N 3.06Å; F601-V603 VanDerWaalsContact C-N 3.33Å; F601-V603 PolarHBondContact O-N 3.14Å; V603-R607 WeakPolarHBondContact O-CG 3.42Å; V603-R607 PolarHBondContact O-NE 2.8Å
604L87.6Confident80.9Confident0 Ų050.9 Ų50.90%032%0.322CS..Hα-helixtrans-110.8-21.6-170.2-64.3-179.4000115.2W517 Y549 W580 L600 F601 R607W517-L604 HydrophobicContact CH2-CD1 4.07Å; W517-L604 HydrophobicContact CZ2-CB 3.75Å; W517-L604 HydrophobicContact CZ2-CD1 3.89Å; W517-L604 HydrophobicContact CZ2-CG 4.46Å; Y549-L604 HydrophobicContact CD1-CD2 4.18Å; Y549-L604 HydrophobicContact CD2-CD1 4.09Å; Y549-L604 HydrophobicContact CE1-CB 4.12Å; Y549-L604 HydrophobicContact CE1-CD2 4.34Å; Y549-L604 WeakPolarHBondContact CE1-O 3.49Å; Y549-L604 HydrophobicContact CE2-CB 4.14Å; Y549-L604 HydrophobicContact CE2-CD1 4.06Å; Y549-L604 HydrophobicContact CG-CD2 4.27Å; Y549-L604 PolarHBondContact OH-O 2.83Å; W580-L604 HydrophobicContact CD2-CD2 3.99Å; W580-L604 HydrophobicContact CE3-CD1 4.22Å; W580-L604 HydrophobicContact CE3-CD2 4.41Å; W580-L604 HydrophobicContact CH2-CD1 3.99Å; W580-L604 HydrophobicContact CH2-CD2 4.15Å; W580-L604 HydrophobicContact CZ2-CD1 4.4Å; W580-L604 HydrophobicContact CZ2-CD2 3.71Å; W580-L604 HydrophobicContact CZ3-CD1 3.88Å; W580-L604 HydrophobicContact CZ3-CD2 4.47Å; L600-L604 HydrophobicContact CD2-CD1 3.8Å; L600-L604 WeakPolarHBondContact O-CB 3.01Å; L600-L604 VanDerWaalsContact O-CG 3.23Å; L600-L604 WeakPolarHBondContact O-CG 3.47Å; L600-L604 PolarHBondContact O-N 3.03Å; F601-L604 PolarHBondContact O-N 2.8Å; L604-R607 PolarHBondContact O-N 2.83Å
605S78.4Confident79.9Confident53 Ų5351.7 Ų51.737%0.37133%0.325SS..Hα-helixtrans-65.7-39.4178.561.10000112.2F601 R607F601-S605 WeakPolarHBondContact O-CB 3.16Å; F601-S605 PolarHBondContact O-N 3.02Å; F601-S605 PolarHBondContact O-OG 3.21Å; S605-R607 PolarHBondContact O-N 2.99Å
606C73.6Confident78.8Confident119 Ų11949.8 Ų49.880%0.80431%0.31SS*.THydrogen-bonded Turntrans-73.1-5.4175.7-580000113.9
607R79.2Confident76.9Confident118 Ų11852 Ų5245%0.44532%0.324SS..SBendtrans-95.6137179.4-59.1-173.3-170.1-141.4-1.7110.2Y549 V603 L604 S605 L609Y549-R607 HydrophobicContact CE1-CB 4.21Å; V603-R607 WeakPolarHBondContact O-CG 3.42Å; V603-R607 PolarHBondContact O-NE 2.8Å; L604-R607 PolarHBondContact O-N 2.83Å; S605-R607 PolarHBondContact O-N 2.99Å; R607-L609 PolarHBondContact O-N 2.98Å
608A68.7Low74.5Confident97 Ų9756.9 Ų56.980%0.80236%0.356SS*.  trans-56.2110.7175.700000111.1P610A608-P610 WeakPolarHBondContact O-CD 3.23Å
609L72.1Confident72.3Confident53 Ų5358.6 Ų58.628%0.27737%0.368SS..PPolyproline II helixtrans-63.7125.3171.3-89.7151.4000109.1F520 R548 Y549 R607F520-L609 HydrophobicContact CD1-CD1 4.04Å; F520-L609 HydrophobicContact CE1-CD1 3.97Å; R548-L609 HydrophobicContact CG-CD2 4.03Å; Y549-L609 HydrophobicContact CE1-CD2 4.12Å; Y549-L609 HydrophobicContact CE1-CG 4.16Å; Y549-L609 HydrophobicContact CE2-CD2 4.02Å; R607-L609 PolarHBondContact O-N 2.98Å
610P70.3Confident69.3Low40 Ų4059.4 Ų59.426%0.2637%0.374SS..PPolyproline II helixtrans-54.8148.1171.9-30.840.3000111R548 A608 A612 F615R548-P610 PolarHBondContact NH1-O 3.23Å; R548-P610 PolarHBondContact NH2-O 3.49Å; R548-P610 WeakPolarHBondContact O-CG 3.25Å; A608-P610 WeakPolarHBondContact O-CD 3.23Å; P610-A612 PolarHBondContact O-N 2.87Å; P610-F615 HydrophobicContact CB-CE2 3.83Å; P610-F615 HydrophobicContact CB-CZ 4.37Å
611P69.8Low66.3Low80 Ų8063.3 Ų63.352%0.51941%0.407SS..PPolyproline II helixtrans-52.8133.1-178.1-29.436.2000112.7R548 T613 T614R548-P611 PolarHBondContact NH1-O 3.45Å; P611-T613 WeakPolarHBondContact CB-OG1 3.28Å; P611-T613 PolarHBondContact O-N 3.45Å; P611-T614 WeakPolarHBondContact O-CB 3.46Å; P611-T614 PolarHBondContact O-N 3.2Å; P611-T614 PolarHBondContact O-OG1 3.31Å
612A70.6Confident63.2Low11 Ų1168.1 Ų68.19%0.09143%0.427CS..G310 helixtrans-59.2-31.7178.800000112.1L34 P524 P610 T614 F615 L616L34-A612 HydrophobicContact CD2-CB 4.07Å; P524-A612 HydrophobicContact CG-CB 3.96Å; P610-A612 PolarHBondContact O-N 2.87Å; A612-T614 PolarHBondContact O-N 3.07Å; A612-T614 VanDerWaalsContact O-N 3.1Å; A612-F615 PolarHBondContact O-N 3.34Å; A612-L616 WeakPolarHBondContact O-CG 3.17Å; A612-L616 PolarHBondContact O-N 2.95Å; A612-L616 VanDerWaalsContact O-N 3.15Å
613T65.9Low60.4Low51 Ų5170.1 Ų70.131%0.31343%0.433SS..G310 helixtrans-53.2-26.3173.553.30000114.1L4 C7 L34 P611 F615L4-T613 HydrophobicContact CD1-CG2 3.87Å; C7-T613 HydrophobicContact CB-CG2 4.04Å; L34-T613 HydrophobicContact CD2-CG2 3.82Å; P611-T613 WeakPolarHBondContact CB-OG1 3.28Å; P611-T613 PolarHBondContact O-N 3.45Å; T613-F615 VanDerWaalsContact C-N 3.32Å
614T61.2Low57.3Low97 Ų9777.8 Ų77.860%0.59546%0.462SS*.G310 helixtrans-74.9-21.3179.7-53.10000112.8P611 A612P611-T614 WeakPolarHBondContact O-CB 3.46Å; P611-T614 PolarHBondContact O-N 3.2Å; P611-T614 PolarHBondContact O-OG1 3.31Å; A612-T614 PolarHBondContact O-N 3.07Å; A612-T614 VanDerWaalsContact O-N 3.1Å
615F66.8Low54.6Low24 Ų2485.5 Ų85.511%0.10550%0.498CS..THydrogen-bonded Turntrans-121.4-6.5-171.8-57.2-93.2000113.9P524 Y525 H547 P551 P610 A612 T613 V617P524-F615 HydrophobicContact CB-CB 3.82Å; Y525-F615 HydrophobicContact CE1-CB 3.97Å; Y525-F615 AromaticContact CE1-CD1 3.87Å; Y525-F615 HydrophobicContact CE1-CD1 3.87Å; Y525-F615 HydrophobicContact CE1-CG 4.28Å; Y525-F615 AromaticContact CZ-CD1 3.89Å; Y525-F615 VanDerWaalsContact OH-CD1 3.24Å; Y525-F615 WeakPolarHBondContact OH-CD1 3.28Å; H547-F615 AromaticContact CE1-CD1 3.68Å; H547-F615 AromaticContact CE1-CE1 3.6Å; H547-F615 AromaticContact ND1-CD1 3.64Å; H547-F615 AromaticContact ND1-CE1 3.42Å; H547-F615 WeakPolarHBondContact ND1-CE1 3.22Å; P551-F615 HydrophobicContact CG-CE1 4.37Å; P551-F615 HydrophobicContact CG-CZ 4.24Å; P610-F615 HydrophobicContact CB-CE2 3.83Å; P610-F615 HydrophobicContact CB-CZ 4.37Å; A612-F615 PolarHBondContact O-N 3.34Å; T613-F615 VanDerWaalsContact C-N 3.32Å; F615-V617 PolarHBondContact O-N 3.1Å
616L65.6Low52.1Low24 Ų2494.3 Ų94.313%0.12652%0.524CS..  trans-68.194.7174.9-81.5164.4000110.2C7 Q30 L34 P524 A612 P618C7-L616 WeakPolarHBondContact SG-CD1 3.2Å; Q30-L616 HydrophobicContact CB-CD2 4.31Å; Q30-L616 HydrophobicContact CG-CD2 3.93Å; L34-L616 HydrophobicContact CD1-CD1 3.68Å; L34-L616 HydrophobicContact CD2-CD1 3.62Å; L34-L616 HydrophobicContact CG-CD1 3.76Å; P524-L616 HydrophobicContact CB-CD2 4.42Å; P524-L616 HydrophobicContact CB-CG 4.26Å; A612-L616 WeakPolarHBondContact O-CG 3.17Å; A612-L616 PolarHBondContact O-N 2.95Å; A612-L616 VanDerWaalsContact O-N 3.15Å; L616-P618 WeakPolarHBondContact O-CD 3.25Å
617V53Low49.8Very low53 Ų5398.9 Ų98.932%0.32153%0.53SS..  trans-54110.5-179.1-177.20000109.8R526 F558 F615 S619R526-V617 PolarHBondContact NH2-O 3.25Å; F558-V617 HydrophobicContact CZ-CG2 4.33Å; F615-V617 PolarHBondContact O-N 3.1Å; V617-S619 PolarHBondContact O-N 2.8Å
618P42.4Very low47.4Very low104 Ų10499.9 Ų99.968%0.67555%0.549SS*.  trans-63.9128.1178.7-19.632.7000108.9L616 S620L616-P618 WeakPolarHBondContact O-CD 3.25Å; P618-S620 PolarHBondContact O-N 2.68Å
619S42.8Very low45.4Very low77 Ų77104.9 Ų104.954%0.53855%0.552SS.*SBendtrans-72.620.4-176.3-143.40000114.2R526 V617R526-S619 PolarHBondContact NH2-OG 3.29Å; V617-S619 PolarHBondContact O-N 2.8Å
620S29.2Very low43.1Very low77 Ų77108.7 Ų108.754%0.53858%0.582SS.*  trans-164.784.9-170.258.40000113.5P618P618-S620 PolarHBondContact O-N 2.68Å
621A28.2Very low41Very low84 Ų84111.3 Ų111.369%0.69460%0.601SS**  trans-106.9111.6154.900000108.6V623A621-V623 VanDerWaalsContact C-N 3.29Å; A621-V623 PolarHBondContact O-N 3.06Å
622K26.3Very low38.9Very low156 Ų156112.4 Ų112.468%0.67861%0.611SS**  trans-70.982.1173.3-74.3-178.6176.2179.80109.3K624 E659K622-K624 PolarHBondContact O-N 2.75Å; K622-E659 IonicContact NZ-OE1 3.37Å
623V27.4Very low36.9Very low108 Ų108118.6 Ų118.666%0.65565%0.648SS**  trans-74.9112.9171.9-176.10000108.9A621 E625A621-V623 VanDerWaalsContact C-N 3.29Å; A621-V623 PolarHBondContact O-N 3.06Å; V623-E625 HydrophobicContact CG1-CG 4.03Å; V623-E625 PolarHBondContact O-N 3.46Å
624K24.8Very low35Very low207 Ų207122 Ų12290%0.967%0.668SS**  trans-79.591.8171.5-73.8-178.5176.4179.20109.3K622K622-K624 PolarHBondContact O-N 2.75Å
625E30.6Very low33.4Very low162 Ų162126 Ų12676%0.75768%0.681SS**PPolyproline II helixtrans-93.5133.4171.7-93.4175-17100112.8V623V623-E625 HydrophobicContact CG1-CG 4.03Å; V623-E625 PolarHBondContact O-N 3.46Å
626R26.6Very low31.5Very low239 Ų239132.3 Ų132.390%0.90272%0.715SS**PPolyproline II helixtrans-75.1133.2178.3-77172.5160.2167.7-7.7109.4V628R626-V628 PolarHBondContact O-N 3.48Å
627K25.3Very low29.7Very low215 Ų215138.4 Ų138.494%0.93575%0.748SS**PPolyproline II helixtrans-56.5120.7174.1-73.9179.7175.6176.40111.2
628V28.8Very low28.5Very low139 Ų139146.3 Ų146.384%0.84278%0.778SS**  trans-117.3128.5155.4179.60000107R626R626-V628 PolarHBondContact O-N 3.48Å
629K24.8Very low28Very low202 Ų202146.3 Ų146.388%0.87878%0.781SS**  trans-80.8137.3175.7-76.7178.8172.3-179.60109.6
630C25.1Very low27.6Very low132 Ų132149.1 Ų149.189%0.89279%0.794SS**  trans-147.6162.5140.9-144.20000110.3
631S25.4Very low27.8Very low96 Ų96151.1 Ų151.167%0.67180%0.795SS**  trans-110.9155-158.548.30000114.3
632S26.9Very low28.6Very low102 Ų102150.4 Ų150.471%0.71379%0.785SS**  trans47118.9151.158.40000117.8
633T28.4Very low29.2Very low142 Ų142146.8 Ų146.887%0.87177%0.773SS**  -154.9170.375.4290000114.1
634T25.4Very low29.8Very low122 Ų122145 Ų14575%0.74877%0.769SS**  trans-70.8145.6177.445.10000113.9
635E28.1Very low30.7Very low182 Ų182136.9 Ų136.985%0.8574%0.741SS**  -171.9175.5118.1-105.5171.4-161.100113.1
636N26.2Very low31.3Very low155 Ų155132.5 Ų132.583%0.82973%0.725SS**  trans-76.1136.3-164.3-60.3-69.8000114
637D28.6Very low32Very low153 Ų153125.9 Ų125.982%0.81871%0.705SS**  trans-161.5124.6133.5-117.4-24.7000112S639D637-S639 PolarHBondContact O-N 3.01Å
638K28.2Very low33.1Very low219 Ų219118.9 Ų118.995%0.95268%0.676SS**  trans-98.876.3175.7-74.6-175.6179177.30109.7
639S30.6Very low34Very low104 Ų104118.6 Ų118.673%0.72766%0.66SS**PPolyproline II helixtrans-97.6161.8178.863.80000113.1D637D637-S639 PolarHBondContact O-N 3.01Å
640V33.9Very low34.9Very low136 Ų136114.7 Ų114.782%0.82465%0.645SS**PPolyproline II helixtrans-63.3131.3-168.21790000112S642V640-S642 PolarHBondContact O-N 3.43Å
641E34.8Very low36Very low119 Ų119112.7 Ų112.756%0.55662%0.618SS**PPolyproline II helixtrans-63.1121.4179.3-157.2169.1-142.600111A645 R649E641-A645 HydrophobicContact CG-CB 4.02Å; E641-R649 IonicContact OE1-CZ 3.08Å; E641-R649 IonicContact OE1-NH1 3.71Å; E641-R649 IonicContact OE1-NH2 2.63Å; E641-R649 PolarHBondContact OE1-NH2 3.15Å; E641-R649 IonicContact OE2-CZ 2.85Å; E641-R649 IonicContact OE2-NH1 2.7Å; E641-R649 IonicContact OE2-NH2 3.11Å; E641-R649 PolarHBondContact OE2-NH2 2.76Å
642S44.4Very low37.2Very low68 Ų68111.3 Ų111.348%0.47660%0.603SS.*PPolyproline II helixtrans-77.6154.5-169.367.70000113.4V640 A644 A645 V646V640-S642 PolarHBondContact O-N 3.43Å; S642-A644 PolarHBondContact O-N 3.4Å; S642-A645 WeakPolarHBondContact O-CB 3.22Å; S642-A645 PolarHBondContact O-N 2.63Å; S642-V646 PolarHBondContact O-N 3.13Å
643D40Very low38.1Very low81 Ų81113.6 Ų113.643%0.43360%0.596SS.*Hα-helixtrans-51.2-33.2177.2-77.6-31.3000112.5M647D643-M647 WeakPolarHBondContact O-CB 3.38Å; D643-M647 VanDerWaalsContact O-CG 3.24Å; D643-M647 WeakPolarHBondContact O-CG 3.48Å; D643-M647 PolarHBondContact O-N 2.78Å
644A39.4Very low38.8Very low70 Ų70111.3 Ų111.358%0.57958%0.578SS**Hα-helixtrans-65.7-38.5176.300000113.1S642 E648S642-A644 PolarHBondContact O-N 3.4Å; A644-E648 WeakPolarHBondContact O-CB 3.12Å; A644-E648 PolarHBondContact O-N 3.14Å
645A42.8Very low39.7Very low37 Ų37108.2 Ų108.231%0.30655%0.554SS.*Hα-helixtrans-71.8-35.1179.900000112.2E641 S642 R649E641-A645 HydrophobicContact CG-CB 4.02Å; S642-A645 WeakPolarHBondContact O-CB 3.22Å; S642-A645 PolarHBondContact O-N 2.63Å; A645-R649 WeakPolarHBondContact O-CB 3.35Å; A645-R649 PolarHBondContact O-N 2.75Å; A645-R649 VanDerWaalsContact O-N 3.1Å
646V44.1Very low40.6Very low69 Ų69108.7 Ų108.742%0.41855%0.548SS..Hα-helixtrans-68.2-47.3173.3-179.30000110.4S642 E648 R649 H650S642-V646 PolarHBondContact O-N 3.13Å; V646-E648 PolarHBondContact O-N 2.84Å; V646-R649 PolarHBondContact O-N 2.9Å; V646-H650 PolarHBondContact O-N 2.69Å
647M42Very low41.4Very low100 Ų100107.6 Ų107.649%0.49354%0.541SS..Hα-helixtrans-61-44.4177.1-74.7-71.3-79.100112.4D643 H650 R651D643-M647 WeakPolarHBondContact O-CB 3.38Å; D643-M647 VanDerWaalsContact O-CG 3.24Å; D643-M647 WeakPolarHBondContact O-CG 3.48Å; D643-M647 PolarHBondContact O-N 2.78Å; M647-H650 PolarHBondContact O-N 2.99Å; M647-R651 WeakPolarHBondContact O-CB 3.21Å; M647-R651 PolarHBondContact O-N 3.48Å
648E46.4Very low42.1Very low69 Ų69105.9 Ų105.932%0.32254%0.536SS..Hα-helixtrans-70.7-31.6179-168.960.9-167.400112.1A644 V646 R651 L652A644-E648 WeakPolarHBondContact O-CB 3.12Å; A644-E648 PolarHBondContact O-N 3.14Å; V646-E648 PolarHBondContact O-N 2.84Å; E648-R651 PolarHBondContact O-N 2.85Å; E648-R651 IonicContact OE1-CZ 3.95Å; E648-R651 IonicContact OE1-NE 2.68Å; E648-R651 PolarHBondContact OE1-NE 2.81Å; E648-R651 IonicContact OE1-NH2 2.89Å; E648-R651 PolarHBondContact OE1-NH2 2.97Å; E648-R651 IonicContact OE2-CZ 2.64Å; E648-R651 IonicContact OE2-NE 3.91Å; E648-R651 PolarHBondContact OE2-NE 2.92Å; E648-R651 IonicContact OE2-NH2 3.94Å; E648-R651 PolarHBondContact OE2-NH2 3.12Å; E648-L652 HydrophobicContact CG-CD1 4Å; E648-L652 HydrophobicContact CG-CG 4.26Å; E648-L652 VanDerWaalsContact O-CB 3.24Å; E648-L652 WeakPolarHBondContact O-CB 3.28Å; E648-L652 WeakPolarHBondContact O-CG 3.14Å; E648-L652 PolarHBondContact O-N 3.23Å
649R48.6Very low42.7Very low133 Ų133100.1 Ų100.150%0.50251%0.513SS..Hα-helixtrans-63.7-43.8170.5-124.9179.2-52.1166.821.7111.8E641 A645 V646 L652 R653E641-R649 IonicContact OE1-CZ 3.08Å; E641-R649 IonicContact OE1-NH1 3.71Å; E641-R649 IonicContact OE1-NH2 2.63Å; E641-R649 PolarHBondContact OE1-NH2 3.15Å; E641-R649 IonicContact OE2-CZ 2.85Å; E641-R649 IonicContact OE2-NH1 2.7Å; E641-R649 IonicContact OE2-NH2 3.11Å; E641-R649 PolarHBondContact OE2-NH2 2.76Å; A645-R649 WeakPolarHBondContact O-CB 3.35Å; A645-R649 PolarHBondContact O-N 2.75Å; A645-R649 VanDerWaalsContact O-N 3.1Å; V646-R649 PolarHBondContact O-N 2.9Å; R649-L652 PolarHBondContact O-N 3.28Å; R649-R653 WeakPolarHBondContact O-CB 3.26Å; R649-R653 PolarHBondContact O-N 3.19Å
650H43.1Very low42.9Very low120 Ų12099.9 Ų99.956%0.55651%0.511SS*.Hα-helixtrans-64.3-42.6176.3-163.9-101000111.3V646 M647 R653 L654V646-H650 PolarHBondContact O-N 2.69Å; M647-H650 PolarHBondContact O-N 2.99Å; H650-R653 PolarHBondContact O-N 2.81Å; H650-L654 PolarHBondContact O-N 3.01Å
651R48.9Very low42.9Very low89 Ų8995.6 Ų95.634%0.33650%0.495SS..Hα-helixtrans-64.3-41.4176.1-155.6-179.375103.14112.2M647 E648 K655M647-R651 WeakPolarHBondContact O-CB 3.21Å; M647-R651 PolarHBondContact O-N 3.48Å; E648-R651 PolarHBondContact O-N 2.85Å; E648-R651 IonicContact OE1-CZ 3.95Å; E648-R651 IonicContact OE1-NE 2.68Å; E648-R651 PolarHBondContact OE1-NE 2.81Å; E648-R651 IonicContact OE1-NH2 2.89Å; E648-R651 PolarHBondContact OE1-NH2 2.97Å; E648-R651 IonicContact OE2-CZ 2.64Å; E648-R651 IonicContact OE2-NE 3.91Å; E648-R651 PolarHBondContact OE2-NE 2.92Å; E648-R651 IonicContact OE2-NH2 3.94Å; E648-R651 PolarHBondContact OE2-NH2 3.12Å; R651-K655 WeakPolarHBondContact O-CB 3.3Å; R651-K655 PolarHBondContact O-N 2.67Å
652L50Low42.9Very low68 Ų6897.7 Ų97.736%0.35651%0.51SS..Hα-helixtrans-67.4-34.6174.4-74167.6000112.3E648 R649 K655 R656E648-L652 HydrophobicContact CG-CD1 4Å; E648-L652 HydrophobicContact CG-CG 4.26Å; E648-L652 VanDerWaalsContact O-CB 3.24Å; E648-L652 WeakPolarHBondContact O-CB 3.28Å; E648-L652 WeakPolarHBondContact O-CG 3.14Å; E648-L652 PolarHBondContact O-N 3.23Å; R649-L652 PolarHBondContact O-N 3.28Å; L652-K655 PolarHBondContact O-N 2.9Å; L652-R656 WeakPolarHBondContact O-CG 3.44Å; L652-R656 PolarHBondContact O-N 3.36Å
653R47.3Very low42.3Very low150 Ų15099.9 Ų99.957%0.56652%0.52SS*.Hα-helixtrans-65.3-48.5174.8-163174.8-172.41722.4110.9N248 R649 H650 K655 R656 L657N248-R653 PolarHBondContact O-NH2 2.95Å; R649-R653 WeakPolarHBondContact O-CB 3.26Å; R649-R653 PolarHBondContact O-N 3.19Å; H650-R653 PolarHBondContact O-N 2.81Å; R653-K655 VanDerWaalsContact C-N 3.34Å; R653-K655 PolarHBondContact O-N 2.93Å; R653-R656 PolarHBondContact O-N 3.39Å; R653-L657 WeakPolarHBondContact O-CG 3.27Å; R653-L657 PolarHBondContact O-N 3.12Å
654L43Very low41.8Very low93 Ų93102.3 Ų102.349%0.48753%0.533SS..Hα-helixtrans-59.9-41.3171.6-92.5145.1000112.6H650 L657 V658H650-L654 PolarHBondContact O-N 3.01Å; L654-L657 PolarHBondContact O-N 3.48Å; L654-V658 WeakPolarHBondContact O-CG2 3.22Å; L654-V658 PolarHBondContact O-N 3.42Å
655K44.3Very low41.3Very low57 Ų57106.2 Ų106.225%0.24854%0.544CS..Hα-helixtrans-68.1-37.7-179-170171.1179.5-700112.4R651 L652 R653 L657 V658 E659R651-K655 WeakPolarHBondContact O-CB 3.3Å; R651-K655 PolarHBondContact O-N 2.67Å; L652-K655 PolarHBondContact O-N 2.9Å; R653-K655 VanDerWaalsContact C-N 3.34Å; R653-K655 PolarHBondContact O-N 2.93Å; K655-L657 VanDerWaalsContact C-N 3.33Å; K655-V658 PolarHBondContact O-N 3.03Å; K655-E659 WeakPolarHBondContact CE-OE1 3.15Å; K655-E659 HydrophobicContact CG-CG 4.21Å; K655-E659 WeakPolarHBondContact CG-OE2 3.3Å; K655-E659 IonicContact NZ-OE1 3.58Å; K655-E659 PolarHBondContact NZ-OE1 3.34Å; K655-E659 IonicContact NZ-OE2 3.74Å; K655-E659 PolarHBondContact NZ-OE2 3.32Å; K655-E659 WeakPolarHBondContact O-CB 3.42Å; K655-E659 WeakPolarHBondContact O-CG 3.44Å; K655-E659 PolarHBondContact O-N 2.96Å
656R45.8Very low40.8Very low192 Ų192109.3 Ų109.373%0.72557%0.57SS**Hα-helixtrans-65.2-33.5171.2-72179.4-159173.46.3113.1L652 R653 V658 S660L652-R656 WeakPolarHBondContact O-CG 3.44Å; L652-R656 PolarHBondContact O-N 3.36Å; R653-R656 PolarHBondContact O-N 3.39Å; R656-V658 VanDerWaalsContact C-N 3.27Å; R656-V658 PolarHBondContact O-N 2.81Å; R656-S660 WeakPolarHBondContact O-CB 3.31Å; R656-S660 PolarHBondContact O-N 2.94Å
657L42.8Very low40Very low132 Ų132112 Ų11269%0.69159%0.59SS**Hα-helixtrans-72.9-17.3175.7-74.1163000113.6R653 L654 K655R653-L657 WeakPolarHBondContact O-CG 3.27Å; R653-L657 PolarHBondContact O-N 3.12Å; L654-L657 PolarHBondContact O-N 3.48Å; K655-L657 VanDerWaalsContact C-N 3.33Å
658V43.6Very low39.3Very low117 Ų117113.5 Ų113.571%0.70960%0.6SS**Hα-helixtrans-104.1-31.3179174.50000112.2L654 K655 R656L654-V658 WeakPolarHBondContact O-CG2 3.22Å; L654-V658 PolarHBondContact O-N 3.42Å; K655-V658 PolarHBondContact O-N 3.03Å; R656-V658 VanDerWaalsContact C-N 3.27Å; R656-V658 PolarHBondContact O-N 2.81Å
659E40Very low38.4Very low98 Ų98116.2 Ų116.246%0.45862%0.617SS.*Hα-helixtrans-89.1-3.1-179.2-68.4178.5164.900113.8K622 K655 G661K622-E659 IonicContact NZ-OE1 3.37Å; K655-E659 WeakPolarHBondContact CE-OE1 3.15Å; K655-E659 HydrophobicContact CG-CG 4.21Å; K655-E659 WeakPolarHBondContact CG-OE2 3.3Å; K655-E659 IonicContact NZ-OE1 3.58Å; K655-E659 PolarHBondContact NZ-OE1 3.34Å; K655-E659 IonicContact NZ-OE2 3.74Å; K655-E659 PolarHBondContact NZ-OE2 3.32Å; K655-E659 WeakPolarHBondContact O-CB 3.42Å; K655-E659 WeakPolarHBondContact O-CG 3.44Å; K655-E659 PolarHBondContact O-N 2.96Å; E659-G661 PolarHBondContact O-N 2.96Å
660S36.7Very low37.3Very low99 Ų99116.4 Ų116.469%0.69263%0.633SS**  trans-79.141.8174.770.40000113.6R656R656-S660 WeakPolarHBondContact O-CB 3.31Å; R656-S660 PolarHBondContact O-N 2.94Å
661G32.5Very low36.6Very low47 Ų47119 Ų11949%0.48565%0.65SS.*  trans-122.747.5-177.700000111.8E659E659-G661 PolarHBondContact O-N 2.96Å
662D35.5Very low35.5Very low162 Ų162123.5 Ų123.587%0.86668%0.675SS**  trans-78.3154.2-177.5-83.4-40.9000113.4
663V31.1Very low34.4Very low115 Ų115126.2 Ų126.270%0.69770%0.7SS**  trans-126.1139.6-160.1168.90000109.3
664D30.9Very low33.5Very low132 Ų132125.1 Ų125.171%0.70671%0.714SS**  trans72.8120.1165.1-62.9-16.5000121.7
665N28.7Very low32.9Very low151 Ų151130.5 Ų130.581%0.80773%0.733SS**  trans62.4102.8139.6-58.8-32.5000120.9
666A30.7Very low32.3Very low103 Ų103137.5 Ų137.585%0.85176%0.764SS**  171.8143.7100.500000114.6
667C28.5Very low31.6Very low124 Ų124135.1 Ų135.184%0.83877%0.77SS**  trans63.184.4153.3-141.20000121
668D27Very low31.4Very low133 Ų133135.3 Ų135.371%0.71177%0.767SS**  59.1134.8114.6-127.727.2000123.3
669N26.7Very low31.3Very low125 Ų125138.7 Ų138.767%0.66877%0.773SS**  trans66.288.2161.2-55.4-51.9000119.4
670T26.5Very low31.5Very low138 Ų138139.5 Ų139.585%0.84778%0.779SS**  179150.9105.228.40000113.7
671L28.6Very low32.8Very low174 Ų174138.2 Ų138.291%0.91177%0.768SS**  trans70.3124.9164.3-112.770.2000120.2
672E25.7Very low34.1Very low183 Ų183139.7 Ų139.786%0.85578%0.775SS**  trans-84.3175.3179.7-61.6168.7110.300113
673S27.3Very low35.6Very low125 Ų125139.3 Ų139.387%0.87477%0.768SS**  trans81.765.1166.5770000119
674C26.6Very low36.9Very low128 Ų128139.2 Ų139.287%0.86576%0.755SS**  trans-140.1118148.6-1440000111.7K676C674-K676 PolarHBondContact O-N 2.84Å
675K32.4Very low38.5Very low205 Ų205137.8 Ų137.889%0.89175%0.747SS**PPolyproline II helixtrans-73.6118.1-177.3-71.3-179.9177.8177.30109.9V677K675-V677 PolarHBondContact O-N 3.08Å
676K30.1Very low40.5Very low204 Ų204134.5 Ų134.589%0.88773%0.732SS**PPolyproline II helixtrans-58.6126.4175.8-74.8177.4175.41740110.9C674C674-K676 PolarHBondContact O-N 2.84Å
677V32.3Very low42.2Very low142 Ų142134.5 Ų134.586%0.86172%0.715SS**PPolyproline II helixtrans-78125.3165.3179.90000108.2K675K675-V677 PolarHBondContact O-N 3.08Å
678E38.5Very low43.7Very low136 Ų136132 Ų13264%0.63670%0.696SS**PPolyproline II helixtrans-63135.9179.2-64.1179.4135.500111.5L680 R684E678-L680 PolarHBondContact O-N 3.14Å; E678-R684 IonicContact OE2-CZ 2.67Å; E678-R684 IonicContact OE2-NH1 3.28Å; E678-R684 PolarHBondContact OE2-NH1 2.89Å; E678-R684 IonicContact OE2-NH2 2.58Å
679K40.6Very low45.2Very low188 Ų188128 Ų12882%0.81767%0.674SS**PPolyproline II helixtrans-63.5130.1167.3-78.6-178174.9177.30109T681K679-T681 PolarHBondContact O-N 3.42Å
680L44.3Very low47.3Very low115 Ų115125 Ų12560%0.60266%0.658SS**PPolyproline II helixtrans-60.1117.2174.6-77.2153000110.4E678 R684 L685E678-L680 PolarHBondContact O-N 3.14Å; L680-R684 HydrophobicContact CD2-CB 3.95Å; L680-L685 HydrophobicContact CB-CD1 4.38Å
681T64.7Low49.2Very low73 Ų73122 Ų12245%0.44864%0.636SS.*PPolyproline II helixtrans-71.2159.2170.657.20000110.6K679 E683 R684 L685K679-T681 PolarHBondContact O-N 3.42Å; T681-E683 PolarHBondContact O-N 3.04Å; T681-R684 PolarHBondContact O-N 2.99Å; T681-R684 PolarHBondContact OG1-N 3.36Å; T681-L685 PolarHBondContact O-N 3.39Å
682A59Low50.1Low77 Ų77120.8 Ų120.864%0.63663%0.63SS**Hα-helixtrans-57.7-32.3175.200000112.3L685 T686A682-L685 PolarHBondContact O-N 3.19Å; A682-T686 PolarHBondContact O-N 2.73Å; A682-T686 PolarHBondContact O-OG1 3.16Å
683E66.4Low51.6Low155 Ų155119.2 Ų119.272%0.72462%0.616SS**Hα-helixtrans-63.7-51.2174.6-64.8166.1163.200111.6T681 L685 T686 E687T681-E683 PolarHBondContact O-N 3.04Å; E683-L685 VanDerWaalsContact C-N 3.3Å; E683-L685 PolarHBondContact O-N 3.39Å; E683-T686 WeakPolarHBondContact O-CA 3.49Å; E683-T686 WeakPolarHBondContact O-CB 3.48Å; E683-T686 PolarHBondContact O-N 3.1Å; E683-E687 PolarHBondContact O-N 3.2Å
684R60.2Low52.4Low112 Ų112116.4 Ų116.442%0.42361%0.607SS.*Hα-helixtrans-62.6-34.1175.2-90.7-171.4171.5158.43.2113E678 L680 T681 T686 E687 V688E678-R684 IonicContact OE2-CZ 2.67Å; E678-R684 IonicContact OE2-NH1 3.28Å; E678-R684 PolarHBondContact OE2-NH1 2.89Å; E678-R684 IonicContact OE2-NH2 2.58Å; L680-R684 HydrophobicContact CD2-CB 3.95Å; T681-R684 PolarHBondContact O-N 2.99Å; T681-R684 PolarHBondContact OG1-N 3.36Å; R684-T686 VanDerWaalsContact C-N 3.32Å; R684-E687 PolarHBondContact O-N 2.65Å; R684-V688 WeakPolarHBondContact O-CB 3.27Å; R684-V688 VanDerWaalsContact O-CG2 3.28Å; R684-V688 WeakPolarHBondContact O-CG2 3.22Å; R684-V688 PolarHBondContact O-N 3.39Å
685L64.2Low54Low103 Ų103118.1 Ų118.154%0.53960%0.6SS.*Hα-helixtrans-62.9-39.2172.1-93.6150000112L680 T681 A682 E683 D689L680-L685 HydrophobicContact CB-CD1 4.38Å; T681-L685 PolarHBondContact O-N 3.39Å; A682-L685 PolarHBondContact O-N 3.19Å; E683-L685 VanDerWaalsContact C-N 3.3Å; E683-L685 PolarHBondContact O-N 3.39Å; L685-D689 WeakPolarHBondContact O-CB 3.24Å; L685-D689 PolarHBondContact O-N 2.96Å
686T70.4Confident54.7Low81 Ų81112.2 Ų112.250%0.49758%0.578SS.*Hα-helixtrans-70.2-38.9176-50.80000111.5A682 E683 R684 D689 L690A682-T686 PolarHBondContact O-N 2.73Å; A682-T686 PolarHBondContact O-OG1 3.16Å; E683-T686 WeakPolarHBondContact O-CA 3.49Å; E683-T686 WeakPolarHBondContact O-CB 3.48Å; E683-T686 PolarHBondContact O-N 3.1Å; R684-T686 VanDerWaalsContact C-N 3.32Å; T686-D689 PolarHBondContact O-N 3.26Å; T686-L690 HydrophobicContact CG2-CD1 4.38Å; T686-L690 WeakPolarHBondContact O-CG 3.43Å; T686-L690 PolarHBondContact O-N 3.22Å
687E66.8Low55.3Low104 Ų104106.9 Ų106.949%0.48657%0.566SS.*Hα-helixtrans-64.8-41.5175.9-164.9176.5-140.900111.9E683 R684 L690 L691 L696E683-E687 PolarHBondContact O-N 3.2Å; R684-E687 PolarHBondContact O-N 2.65Å; E687-L690 PolarHBondContact O-N 3.21Å; E687-L691 PolarHBondContact O-N 2.85Å; E687-L696 HydrophobicContact CG-CD1 4.4Å
688V58.7Low55.9Low72 Ų72107.2 Ų107.244%0.43656%0.562SS.*Hα-helixtrans-66.1-39.1172.9170.20000111.9R684 L691 L692R684-V688 WeakPolarHBondContact O-CB 3.27Å; R684-V688 VanDerWaalsContact O-CG2 3.28Å; R684-V688 WeakPolarHBondContact O-CG2 3.22Å; R684-V688 PolarHBondContact O-N 3.39Å; V688-L691 PolarHBondContact O-N 3.4Å; V688-L692 HydrophobicContact CG1-CD1 3.95Å; V688-L692 HydrophobicContact CG1-CG 4.41Å; V688-L692 WeakPolarHBondContact O-CB 3.24Å; V688-L692 VanDerWaalsContact O-CG 3.27Å; V688-L692 WeakPolarHBondContact O-CG 3.5Å; V688-L692 PolarHBondContact O-N 3.01Å
689D59Low55.9Low48 Ų48105.4 Ų105.426%0.25757%0.565SS.*Hα-helixtrans-64.3-39.6174.1178.264.2000112.1L685 T686 L692 R693L685-D689 WeakPolarHBondContact O-CB 3.24Å; L685-D689 PolarHBondContact O-N 2.96Å; T686-D689 PolarHBondContact O-N 3.26Å; D689-L692 PolarHBondContact O-N 3.3Å; D689-R693 VanDerWaalsContact CG-CZ 3.46Å; D689-R693 WeakPolarHBondContact O-CB 3.2Å; D689-R693 WeakPolarHBondContact O-CG 3.39Å; D689-R693 PolarHBondContact O-N 3.23Å; D689-R693 IonicContact OD1-CZ 2.93Å; D689-R693 IonicContact OD1-NE 2.71Å; D689-R693 PolarHBondContact OD1-NE 3.22Å; D689-R693 IonicContact OD1-NH2 3.61Å; D689-R693 PolarHBondContact OD1-NH2 3.4Å; D689-R693 IonicContact OD2-CZ 2.75Å; D689-R693 IonicContact OD2-NE 2.74Å; D689-R693 PolarHBondContact OD2-NE 3.47Å; D689-R693 IonicContact OD2-NH1 2.7Å; D689-R693 IonicContact OD2-NH2 3.21Å; D689-R693 PolarHBondContact OD2-NH2 2.86Å
690L70.5Confident55.6Low62 Ų62106 Ų10633%0.32557%0.568SS.*Hα-helixtrans-67.4-38174.4-71.5166.6000112.8T686 E687 R693 G694 K695 L696T686-L690 HydrophobicContact CG2-CD1 4.38Å; T686-L690 WeakPolarHBondContact O-CG 3.43Å; T686-L690 PolarHBondContact O-N 3.22Å; E687-L690 PolarHBondContact O-N 3.21Å; L690-R693 PolarHBondContact O-N 3.36Å; L690-G694 PolarHBondContact O-N 3.18Å; L690-K695 HydrophobicContact CD2-CB 4.22Å; L690-K695 HydrophobicContact CD2-CD 4.41Å; L690-K695 PolarHBondContact O-N 3.41Å; L690-L696 HydrophobicContact CB-CD1 3.84Å; L690-L696 HydrophobicContact CD1-CD1 4.12Å
691L66.3Low55.2Low75 Ų75104.1 Ų104.139%0.39357%0.568SS.*Hα-helixtrans-62.7-46.5171.3-88.4162.1000111.8E687 V688 R693 G694 L696 L698E687-L691 PolarHBondContact O-N 2.85Å; V688-L691 PolarHBondContact O-N 3.4Å; L691-R693 PolarHBondContact O-N 3.27Å; L691-G694 PolarHBondContact O-N 2.74Å; L691-L696 HydrophobicContact CD2-CB 4.37Å; L691-L696 HydrophobicContact CG-CB 4.32Å; L691-L698 HydrophobicContact CD2-CD2 4.24Å
692L47.5Very low53.7Low148 Ų148106.5 Ų106.578%0.77559%0.585SS**Hα-helixtrans-64.6-27.7177.6-73.2169.6000112.8V688 D689 G694V688-L692 HydrophobicContact CG1-CD1 3.95Å; V688-L692 HydrophobicContact CG1-CG 4.41Å; V688-L692 WeakPolarHBondContact O-CB 3.24Å; V688-L692 VanDerWaalsContact O-CG 3.27Å; V688-L692 WeakPolarHBondContact O-CG 3.5Å; V688-L692 PolarHBondContact O-N 3.01Å; D689-L692 PolarHBondContact O-N 3.3Å; L692-G694 VanDerWaalsContact C-N 3.32Å
693R57Low52.3Low150 Ų150112.8 Ų112.857%0.56660%0.598SS**THydrogen-bonded Turntrans-862.8173.9-67.7172.5-166.6-158.68.7113.9D689 L690 L691 K695D689-R693 VanDerWaalsContact CG-CZ 3.46Å; D689-R693 WeakPolarHBondContact O-CB 3.2Å; D689-R693 WeakPolarHBondContact O-CG 3.39Å; D689-R693 PolarHBondContact O-N 3.23Å; D689-R693 IonicContact OD1-CZ 2.93Å; D689-R693 IonicContact OD1-NE 2.71Å; D689-R693 PolarHBondContact OD1-NE 3.22Å; D689-R693 IonicContact OD1-NH2 3.61Å; D689-R693 PolarHBondContact OD1-NH2 3.4Å; D689-R693 IonicContact OD2-CZ 2.75Å; D689-R693 IonicContact OD2-NE 2.74Å; D689-R693 PolarHBondContact OD2-NE 3.47Å; D689-R693 IonicContact OD2-NH1 2.7Å; D689-R693 IonicContact OD2-NH2 3.21Å; D689-R693 PolarHBondContact OD2-NH2 2.86Å; L690-R693 PolarHBondContact O-N 3.36Å; L691-R693 PolarHBondContact O-N 3.27Å; R693-K695 VanDerWaalsContact C-N 3.28Å; R693-K695 HydrophobicContact CB-CG 4.38Å; R693-K695 PolarHBondContact O-N 2.91Å
694G44.2Very low50.8Low67 Ų67114.3 Ų114.369%0.69160%0.602SS**THydrogen-bonded Turntrans66.524179.200000114.5L690 L691 L692L690-G694 PolarHBondContact O-N 3.18Å; L691-G694 PolarHBondContact O-N 2.74Å; L692-G694 VanDerWaalsContact C-N 3.32Å
695K60.5Low49.3Very low163 Ų163113.7 Ų113.771%0.70961%0.613SS**  trans-995.4-177-68.1-165.6173.9-167.70114.5L690 R693L690-K695 HydrophobicContact CD2-CB 4.22Å; L690-K695 HydrophobicContact CD2-CD 4.41Å; L690-K695 PolarHBondContact O-N 3.41Å; R693-K695 VanDerWaalsContact C-N 3.28Å; R693-K695 HydrophobicContact CB-CG 4.38Å; R693-K695 PolarHBondContact O-N 2.91Å
696L46.8Very low47.6Very low81 Ų81114.6 Ų114.642%0.42463%0.625SS.*SBendtrans-140.1135.1-179.9-109.7158.7000109.2E687 L690 L691E687-L696 HydrophobicContact CG-CD1 4.4Å; L690-L696 HydrophobicContact CB-CD1 3.84Å; L690-L696 HydrophobicContact CD1-CD1 4.12Å; L691-L696 HydrophobicContact CD2-CB 4.37Å; L691-L696 HydrophobicContact CG-CB 4.32Å
697S43.2Very low45.7Very low93 Ų93117 Ų11765%0.6563%0.633SS**  trans-82.8153.3-178.269.80000112.3S699S697-S699 VanDerWaalsContact C-N 3.26Å; S697-S699 PolarHBondContact O-N 3.26Å
698L45.7Very low43.8Very low148 Ų148119.1 Ų119.178%0.77565%0.646SS**SBendtrans-81.325.4-163.8-92166.5000115.7L691 K700L691-L698 HydrophobicContact CD2-CD2 4.24Å; L698-K700 PolarHBondContact O-N 2.86Å
699S37.9Very low42.3Very low98 Ų98121 Ų12169%0.68565%0.653SS**THydrogen-bonded Turntrans-83.4-0-164.759.50000117.4S697S697-S699 VanDerWaalsContact C-N 3.26Å; S697-S699 PolarHBondContact O-N 3.26Å
700K34.4Very low41Very low202 Ų202127.5 Ų127.588%0.87867%0.674SS**THydrogen-bonded Turntrans-13620.8-175.6-70.2-171.6177.7176.20117.3L698L698-K700 PolarHBondContact O-N 2.86Å
701A35.6Very low39.3Very low75 Ų75132.6 Ų132.662%0.6269%0.693SS**  trans-83.8139.6174.200000112.5
702P33.3Very low38.2Very low122 Ų122131.5 Ų131.579%0.79269%0.687SS**  trans-66.9141.6-179.327.1-34.3000112.3K704P702-K704 PolarHBondContact O-N 3.47Å; P702-K704 VanDerWaalsContact O-N 3.13Å
703K30.6Very low38Very low210 Ų210127.1 Ų127.191%0.91367%0.665SS**  trans-56.4114.4-177-64.4-179179.6-178.90111.1
704K33.8Very low37.5Very low186 Ų186123.9 Ų123.981%0.80966%0.663SS**  trans-67146.9168.5-71.3-177.3178179.90109.9P702P702-K704 PolarHBondContact O-N 3.47Å; P702-K704 VanDerWaalsContact O-N 3.13Å
705P28.4Very low37.9Very low100 Ų100127.3 Ų127.365%0.64966%0.661SS**  trans-62.2154.2168.928.9-35000110.2I707P705-I707 PolarHBondContact O-N 2.74Å
706P30.1Very low37.4Very low121 Ų121123.2 Ų123.279%0.78664%0.644SS**  trans-71.790.2-179.730.4-34.5000110I708P706-I708 PolarHBondContact O-N 3.36Å; P706-I708 VanDerWaalsContact O-N 3.14Å
707I29Very low37.5Very low131 Ų131120.7 Ų120.767%0.67263%0.633SS**  trans-67.8110.7164.1-61.9176.2000106P705 I709P705-I707 PolarHBondContact O-N 2.74Å; I707-I709 VanDerWaalsContact C-N 3.28Å; I707-I709 PolarHBondContact O-N 3.36Å
708I27.3Very low38.2Very low150 Ų150121.1 Ų121.177%0.76962%0.623SS**  trans-71.187.8-178.1-58.8175.8000108.2P706 R710P706-I708 PolarHBondContact O-N 3.36Å; P706-I708 VanDerWaalsContact O-N 3.14Å; I708-R710 VanDerWaalsContact C-N 3.3Å; I708-R710 PolarHBondContact O-N 2.94Å
709I28.4Very low38.6Very low111 Ų111116.7 Ų116.757%0.56960%0.6SS**  trans-70.491.8169.1-56.8172.3000106.8I707 K711I707-I709 VanDerWaalsContact C-N 3.28Å; I707-I709 PolarHBondContact O-N 3.36Å; I709-K711 HydrophobicContact CG2-CG 4.06Å; I709-K711 PolarHBondContact O-N 2.89Å
710R31.4Very low39.3Very low184 Ų184114 Ų11469%0.69458%0.577SS**  trans-6783.8149.5-81.3-169.5174131.1-1.6107.1I708 L712I708-R710 VanDerWaalsContact C-N 3.3Å; I708-R710 PolarHBondContact O-N 2.94Å; R710-L712 PolarHBondContact O-N 3.37Å; R710-L712 VanDerWaalsContact O-N 3.14Å
711K34.6Very low40.3Very low169 Ų169105.8 Ų105.874%0.73554%0.542SS*.  trans-47.6121.6141.6-79.5-179.7178.1174.90103.4I709 N713I709-K711 HydrophobicContact CG2-CG 4.06Å; I709-K711 PolarHBondContact O-N 2.89Å; K711-N713 PolarHBondContact O-N 3.3Å
712L43.4Very low41.3Very low52 Ų52105.3 Ų105.327%0.27253%0.527SS..  trans-43.7108.8165.5-101163000106R710 P714 V717 M720R710-L712 PolarHBondContact O-N 3.37Å; R710-L712 VanDerWaalsContact O-N 3.14Å; L712-P714 WeakPolarHBondContact O-CD 3.4Å; L712-V717 HydrophobicContact CB-CG2 3.66Å; L712-V717 HydrophobicContact CD2-CG2 4.11Å; L712-V717 HydrophobicContact CG-CG2 4.34Å; L712-M720 HydrophobicContact CD2-CE 3.53Å
713N42.3Very low42.1Very low57 Ų57102.7 Ų102.731%0.30550%0.503SS..  trans-60.6130.1-168177.51.5000105.6K711 E715 E716 V717K711-N713 PolarHBondContact O-N 3.3Å; N713-E715 PolarHBondContact ND2-OE2 2.99Å; N713-E715 CarbonylContact O-C 3.59Å; N713-E715 PolarHBondContact O-N 3.2Å; N713-E715 PolarHBondContact OD1-N 3.26Å; N713-E716 HydrophobicContact CB-CB 3.92Å; N713-E716 HydrophobicContact CB-CG 3.75Å; N713-E716 WeakPolarHBondContact CB-OE2 3.31Å; N713-E716 PolarHBondContact N-OE2 3.43Å; N713-E716 VanDerWaalsContact N-OE2 3.14Å; N713-E716 CarbonylContact O-C 3.59Å; N713-E716 WeakPolarHBondContact O-CA 3.24Å; N713-E716 WeakPolarHBondContact O-CB 3.37Å; N713-E716 PolarHBondContact O-N 3.48Å; N713-V717 PolarHBondContact O-N 3.44Å
714P47.5Very low43.2Very low81 Ų8194 Ų9453%0.52647%0.466SS..Hα-helixtrans-52.8-25.8179.5-29.936.8000112.5L712 K718L712-P714 WeakPolarHBondContact O-CD 3.4Å; P714-K718 WeakPolarHBondContact O-CB 3.42Å; P714-K718 PolarHBondContact O-N 3.21Å
715E51Low44.1Very low139 Ų13988.8 Ų88.865%0.6544%0.444SS*.Hα-helixtrans-69.9-46.3168.9-56.5169.8151.800112.9N713 K718 D719N713-E715 PolarHBondContact ND2-OE2 2.99Å; N713-E715 CarbonylContact O-C 3.59Å; N713-E715 PolarHBondContact O-N 3.2Å; N713-E715 PolarHBondContact OD1-N 3.26Å; E715-K718 PolarHBondContact O-N 2.73Å; E715-D719 WeakPolarHBondContact O-CB 3.13Å; E715-D719 PolarHBondContact O-N 3.17Å
716E49.9Very low45.2Very low77 Ų7791.2 Ų91.236%0.3644%0.444SS..Hα-helixtrans-62.6-38.1173.5-73.6169.9163.900112.4N713 M720N713-E716 HydrophobicContact CB-CB 3.92Å; N713-E716 HydrophobicContact CB-CG 3.75Å; N713-E716 WeakPolarHBondContact CB-OE2 3.31Å; N713-E716 PolarHBondContact N-OE2 3.43Å; N713-E716 VanDerWaalsContact N-OE2 3.14Å; N713-E716 CarbonylContact O-C 3.59Å; N713-E716 WeakPolarHBondContact O-CA 3.24Å; N713-E716 WeakPolarHBondContact O-CB 3.37Å; N713-E716 PolarHBondContact O-N 3.48Å; E716-M720 VanDerWaalsContact O-CB 3.28Å; E716-M720 WeakPolarHBondContact O-CB 3.03Å; E716-M720 PolarHBondContact O-N 3.23Å
717V50.6Low46Very low29 Ų2987.6 Ų87.618%0.17642%0.42CS..Hα-helixtrans-67-51.3175.1178.90000110.3L712 N713 D719 M720 E721L712-V717 HydrophobicContact CB-CG2 3.66Å; L712-V717 HydrophobicContact CD2-CG2 4.11Å; L712-V717 HydrophobicContact CG-CG2 4.34Å; N713-V717 PolarHBondContact O-N 3.44Å; V717-D719 VanDerWaalsContact C-N 3.29Å; V717-D719 PolarHBondContact O-N 2.82Å; V717-M720 CarbonylContact O-C 3.57Å; V717-M720 WeakPolarHBondContact O-CA 3.35Å; V717-M720 WeakPolarHBondContact O-CB 3.47Å; V717-M720 PolarHBondContact O-N 2.82Å; V717-M720 VanDerWaalsContact O-N 3.08Å; V717-E721 PolarHBondContact O-N 2.89Å
718K56.7Low46.5Very low101 Ų10183.1 Ų83.144%0.43940%0.402SS..Hα-helixtrans-63-36.1179.1-175.8179179.3-175.80111.9P714 E715 E721 E722P714-K718 WeakPolarHBondContact O-CB 3.42Å; P714-K718 PolarHBondContact O-N 3.21Å; E715-K718 PolarHBondContact O-N 2.73Å; K718-E721 PolarHBondContact O-N 2.53Å; K718-E722 VanDerWaalsContact O-CB 3.22Å; K718-E722 WeakPolarHBondContact O-CB 3.34Å; K718-E722 PolarHBondContact O-N 2.91Å
719D55.2Low47.2Very low55 Ų5577.1 Ų77.129%0.29437%0.371SS..Hα-helixtrans-73.4-34.1172-179.452.5000111.9E715 V717 E722 K723E715-D719 WeakPolarHBondContact O-CB 3.13Å; E715-D719 PolarHBondContact O-N 3.17Å; V717-D719 VanDerWaalsContact C-N 3.29Å; V717-D719 PolarHBondContact O-N 2.82Å; D719-E722 PolarHBondContact O-N 3.28Å; D719-K723 VanDerWaalsContact CG-CE 3.48Å; D719-K723 WeakPolarHBondContact O-CB 3.45Å; D719-K723 VanDerWaalsContact O-CG 3.25Å; D719-K723 WeakPolarHBondContact O-CG 3.48Å; D719-K723 PolarHBondContact O-N 2.99Å; D719-K723 WeakPolarHBondContact OD1-CD 3.33Å; D719-K723 WeakPolarHBondContact OD1-CE 3.46Å; D719-K723 IonicContact OD1-NZ 3.82Å; D719-K723 WeakPolarHBondContact OD2-CD 3.25Å; D719-K723 WeakPolarHBondContact OD2-CE 3.47Å; D719-K723 IonicContact OD2-NZ 3.34Å; D719-K723 PolarHBondContact OD2-NZ 3.2Å
720M51.9Low47.8Very low43 Ų4371.9 Ų71.921%0.21235%0.345CS..Hα-helixtrans-57.1-48.8166.7-115.3-166.3-64.900110.8F266 L712 E716 V717 K723 L724F266-M720 HydrophobicContact CD2-CG 4.26Å; F266-M720 HydrophobicContact CE2-CB 4.35Å; F266-M720 HydrophobicContact CE2-CG 3.3Å; F266-M720 HydrophobicContact CE2-SD 4.48Å; F266-M720 HydrophobicContact CZ-CB 4.18Å; F266-M720 HydrophobicContact CZ-CG 3.53Å; L712-M720 HydrophobicContact CD2-CE 3.53Å; E716-M720 VanDerWaalsContact O-CB 3.28Å; E716-M720 WeakPolarHBondContact O-CB 3.03Å; E716-M720 PolarHBondContact O-N 3.23Å; V717-M720 CarbonylContact O-C 3.57Å; V717-M720 WeakPolarHBondContact O-CA 3.35Å; V717-M720 WeakPolarHBondContact O-CB 3.47Å; V717-M720 PolarHBondContact O-N 2.82Å; V717-M720 VanDerWaalsContact O-N 3.08Å; M720-K723 PolarHBondContact O-N 3.19Å; M720-L724 WeakPolarHBondContact O-CB 3.47Å; M720-L724 WeakPolarHBondContact O-CD1 3.38Å; M720-L724 WeakPolarHBondContact O-CG 3.32Å; M720-L724 PolarHBondContact O-N 2.82Å
721E54.8Low48.2Very low28 Ų2865.3 Ų65.313%0.13133%0.326CS..Hα-helixtrans-65.3-41.8175.7-67.3-167.2167.300112.3T449 V717 K718 K723 L724 K725 Y734T449-E721 WeakPolarHBondContact CB-OE1 3.41Å; T449-E721 WeakPolarHBondContact CG2-OE1 3.49Å; V717-E721 PolarHBondContact O-N 2.89Å; K718-E721 PolarHBondContact O-N 2.53Å; E721-K723 VanDerWaalsContact C-N 3.32Å; E721-K723 PolarHBondContact O-N 3Å; E721-L724 PolarHBondContact O-N 2.81Å; E721-K725 VanDerWaalsContact O-CB 3.31Å; E721-K725 WeakPolarHBondContact O-CB 3.37Å; E721-K725 WeakPolarHBondContact O-CD 3.38Å; E721-K725 WeakPolarHBondContact O-CG 3.31Å; E721-K725 PolarHBondContact O-N 3.11Å; E721-K725 IonicContact OE2-NZ 2.8Å; E721-K725 PolarHBondContact OE2-NZ 2.84Å; E721-Y734 VanDerWaalsContact CD-OH 3.32Å; E721-Y734 WeakPolarHBondContact CG-OH 3.43Å; E721-Y734 PolarHBondContact OE1-OH 3.22Å
722E57.1Low48.5Very low66 Ų6659.5 Ų59.531%0.30830%0.303SS..Hα-helixtrans-71.9-24.6-179.4-161.4166.6157.600112.7K718 D719 K726 R874K718-E722 VanDerWaalsContact O-CB 3.22Å; K718-E722 WeakPolarHBondContact O-CB 3.34Å; K718-E722 PolarHBondContact O-N 2.91Å; D719-E722 PolarHBondContact O-N 3.28Å; E722-K726 VanDerWaalsContact O-CD 3.31Å; E722-K726 WeakPolarHBondContact O-CD 3.43Å; E722-K726 WeakPolarHBondContact O-CE 3.3Å; E722-K726 WeakPolarHBondContact O-CG 3.15Å; E722-R874 IonicContact OE1-NH2 2.99Å; E722-R874 IonicContact OE2-CZ 2.67Å; E722-R874 IonicContact OE2-NH1 2.88Å; E722-R874 IonicContact OE2-NH2 2.83Å; E722-R874 PolarHBondContact OE2-NH2 2.68Å
723K51Low48.5Very low67 Ų6758.8 Ų58.829%0.29130%0.299SS..Hα-helixtrans-84.5-38.8169.7-73.7167.2171.3169.40112.2I265 F266 D719 M720 E721 K725 K726 T727I265-K723 HydrophobicContact CG2-CB 4.43Å; I265-K723 HydrophobicContact CG2-CD 3.95Å; F266-K723 HydrophobicContact CE1-CD 4.17Å; F266-K723 HydrophobicContact CZ-CD 3.79Å; D719-K723 VanDerWaalsContact CG-CE 3.48Å; D719-K723 WeakPolarHBondContact O-CB 3.45Å; D719-K723 VanDerWaalsContact O-CG 3.25Å; D719-K723 WeakPolarHBondContact O-CG 3.48Å; D719-K723 PolarHBondContact O-N 2.99Å; D719-K723 WeakPolarHBondContact OD1-CD 3.33Å; D719-K723 WeakPolarHBondContact OD1-CE 3.46Å; D719-K723 IonicContact OD1-NZ 3.82Å; D719-K723 WeakPolarHBondContact OD2-CD 3.25Å; D719-K723 WeakPolarHBondContact OD2-CE 3.47Å; D719-K723 IonicContact OD2-NZ 3.34Å; D719-K723 PolarHBondContact OD2-NZ 3.2Å; M720-K723 PolarHBondContact O-N 3.19Å; E721-K723 VanDerWaalsContact C-N 3.32Å; E721-K723 PolarHBondContact O-N 3Å; K723-K725 VanDerWaalsContact C-N 3.31Å; K723-K725 PolarHBondContact O-N 3.04Å; K723-K726 CarbonylContact O-C 3.56Å; K723-K726 WeakPolarHBondContact O-CA 3.47Å; K723-K726 WeakPolarHBondContact O-CB 3.42Å; K723-K726 PolarHBondContact O-N 3.07Å; K723-T727 PolarHBondContact O-N 2.95Å
724L53.1Low48.7Very low27 Ų2758.9 Ų58.914%0.14130%0.296CS..Hα-helixtrans-55.9-48.6168.2-80.1164.2000109.4T403 M720 E721 K726 T727 G730T403-L724 HydrophobicContact CG2-CD1 4.2Å; M720-L724 WeakPolarHBondContact O-CB 3.47Å; M720-L724 WeakPolarHBondContact O-CD1 3.38Å; M720-L724 WeakPolarHBondContact O-CG 3.32Å; M720-L724 PolarHBondContact O-N 2.82Å; E721-L724 PolarHBondContact O-N 2.81Å; L724-K726 PolarHBondContact O-N 2.94Å; L724-T727 PolarHBondContact O-N 3.06Å; L724-T727 PolarHBondContact O-OG1 3.39Å; L724-G730 VanDerWaalsContact C-CA 3.45Å; L724-G730 WeakPolarHBondContact O-CA 3.42Å; L724-G730 PolarHBondContact O-N 2.95Å
725K52.6Low48.3Very low77 Ų7760 Ų6034%0.33529%0.292SS..THydrogen-bonded Turntrans-50.2-25.5173.3-78.4162.5-171.1147.30113.8E721 K723 Y734E721-K725 VanDerWaalsContact O-CB 3.31Å; E721-K725 WeakPolarHBondContact O-CB 3.37Å; E721-K725 WeakPolarHBondContact O-CD 3.38Å; E721-K725 WeakPolarHBondContact O-CG 3.31Å; E721-K725 PolarHBondContact O-N 3.11Å; E721-K725 IonicContact OE2-NZ 2.8Å; E721-K725 PolarHBondContact OE2-NZ 2.84Å; K723-K725 VanDerWaalsContact C-N 3.31Å; K723-K725 PolarHBondContact O-N 3.04Å; K725-Y734 HydrophobicContact CB-CD2 4.4Å; K725-Y734 HydrophobicContact CD-CD1 4.36Å; K725-Y734 HydrophobicContact CD-CD2 4.05Å; K725-Y734 HydrophobicContact CD-CE2 4.44Å; K725-Y734 HydrophobicContact CD-CG 3.99Å; K725-Y734 HydrophobicContact CG-CD1 4.34Å; K725-Y734 HydrophobicContact CG-CD2 3.23Å; K725-Y734 HydrophobicContact CG-CE2 3.86Å; K725-Y734 HydrophobicContact CG-CG 3.5Å; K725-Y734 VanDerWaalsContact CG-CG 3.5Å
726K50.9Low47.7Very low151 Ų15165 Ų6566%0.65731%0.305SS*.THydrogen-bonded Turntrans-94.7-18.7178.1-65.6164.1-169.91660113.4E722 K723 L724E722-K726 VanDerWaalsContact O-CD 3.31Å; E722-K726 WeakPolarHBondContact O-CD 3.43Å; E722-K726 WeakPolarHBondContact O-CE 3.3Å; E722-K726 WeakPolarHBondContact O-CG 3.15Å; K723-K726 CarbonylContact O-C 3.56Å; K723-K726 WeakPolarHBondContact O-CA 3.47Å; K723-K726 WeakPolarHBondContact O-CB 3.42Å; K723-K726 PolarHBondContact O-N 3.07Å; L724-K726 PolarHBondContact O-N 2.94Å
727T46.6Very low47Very low45 Ų4566.3 Ų66.328%0.27631%0.311SS..SBendtrans-79.8164.216775.20000110.6I265 K723 L724 M729 G730 C731I265-T727 HydrophobicContact CD1-CG2 3.72Å; K723-T727 PolarHBondContact O-N 2.95Å; L724-T727 PolarHBondContact O-N 3.06Å; L724-T727 PolarHBondContact O-OG1 3.39Å; T727-M729 PolarHBondContact O-N 3.4Å; T727-M729 PolarHBondContact OG1-N 2.83Å; T727-G730 PolarHBondContact O-N 2.78Å; T727-C731 PolarHBondContact O-N 2.91Å
728A41Very low46.2Very low37 Ų3773 Ų7331%0.30634%0.341SS..Hα-helixtrans-61.5-22.5172.500000112.6K236 L732K236-A728 HydrophobicContact CD-CB 3.65Å; K236-A728 VanDerWaalsContact CE-CB 3.44Å; K236-A728 HydrophobicContact CG-CB 3.79Å; A728-L732 WeakPolarHBondContact O-CG 3.31Å
729M40.6Very low45.2Very low24 Ų2473.7 Ų73.712%0.11836%0.355CS..Hα-helixtrans-73.2-41.1176-72.7-148.4-76.200112.9A238 F400 T727 C731 L732 L733A238-M729 HydrophobicContact CB-SD 4.44Å; F400-M729 HydrophobicContact CE2-SD 4.11Å; F400-M729 HydrophobicContact CZ-CE 3.92Å; F400-M729 HydrophobicContact CZ-SD 3.86Å; T727-M729 PolarHBondContact O-N 3.4Å; T727-M729 PolarHBondContact OG1-N 2.83Å; M729-C731 VanDerWaalsContact C-N 3.32Å; M729-C731 PolarHBondContact O-N 3Å; M729-L732 VanDerWaalsContact O-CB 3.23Å; M729-L732 WeakPolarHBondContact O-CB 3.35Å; M729-L732 WeakPolarHBondContact O-CG 3.33Å; M729-L732 PolarHBondContact O-N 3.16Å; M729-L732 VanDerWaalsContact O-N 3.1Å; M729-L733 PolarHBondContact O-N 2.99Å
730G40.9Very low44.6Very low1 Ų176 Ų761%0.0137%0.371CS..Hα-helixtrans-80.4-10.4175.500000114.5L724 T727 L732 L733 Y734L724-G730 VanDerWaalsContact C-CA 3.45Å; L724-G730 WeakPolarHBondContact O-CA 3.42Å; L724-G730 PolarHBondContact O-N 2.95Å; T727-G730 PolarHBondContact O-N 2.78Å; G730-L732 PolarHBondContact O-N 2.94Å; G730-L733 PolarHBondContact O-N 3.15Å; G730-Y734 WeakPolarHBondContact O-CB 3.36Å; G730-Y734 WeakPolarHBondContact O-CD2 3.27Å; G730-Y734 PolarHBondContact O-N 2.71Å
731C39.7Very low44.3Very low46 Ų4677 Ų7731%0.31138%0.377SS..Hα-helixtrans-61-32.9160.7-70.40000111.4T727 M729 K735T727-C731 PolarHBondContact O-N 2.91Å; M729-C731 VanDerWaalsContact C-N 3.32Å; M729-C731 PolarHBondContact O-N 3Å; C731-K735 WeakPolarHBondContact O-CB 3.38Å; C731-K735 PolarHBondContact O-N 2.76Å
732L41.6Very low44.8Very low47 Ų4778.1 Ų78.125%0.24639%0.388CS..Hα-helixtrans-73-43.1175.9-47.4163.8000111.8R234 A728 M729 G730R234-L732 VanDerWaalsContact O-CD2 3.29Å; R234-L732 WeakPolarHBondContact O-CD2 3.4Å; A728-L732 WeakPolarHBondContact O-CG 3.31Å; M729-L732 VanDerWaalsContact O-CB 3.23Å; M729-L732 WeakPolarHBondContact O-CB 3.35Å; M729-L732 WeakPolarHBondContact O-CG 3.33Å; M729-L732 PolarHBondContact O-N 3.16Å; M729-L732 VanDerWaalsContact O-N 3.1Å; G730-L732 PolarHBondContact O-N 2.94Å
733L43.1Very low45.4Very low37 Ų3780 Ų8019%0.19441%0.409CS..Hα-helixtrans-77.7-25-173.2-64.6169.9000113.5L370 M729 G730L370-L733 HydrophobicContact CD1-CD2 4.05Å; M729-L733 PolarHBondContact O-N 2.99Å; G730-L733 PolarHBondContact O-N 3.15Å
734Y47.1Very low46.4Very low59 Ų5984.6 Ų84.623%0.23143%0.428CS..Hα-helixtrans-131.41-166.9-61.4-74000115.9E721 K725 G730E721-Y734 VanDerWaalsContact CD-OH 3.32Å; E721-Y734 WeakPolarHBondContact CG-OH 3.43Å; E721-Y734 PolarHBondContact OE1-OH 3.22Å; K725-Y734 HydrophobicContact CB-CD2 4.4Å; K725-Y734 HydrophobicContact CD-CD1 4.36Å; K725-Y734 HydrophobicContact CD-CD2 4.05Å; K725-Y734 HydrophobicContact CD-CE2 4.44Å; K725-Y734 HydrophobicContact CD-CG 3.99Å; K725-Y734 HydrophobicContact CG-CD1 4.34Å; K725-Y734 HydrophobicContact CG-CD2 3.23Å; K725-Y734 HydrophobicContact CG-CE2 3.86Å; K725-Y734 HydrophobicContact CG-CG 3.5Å; K725-Y734 VanDerWaalsContact CG-CG 3.5Å; G730-Y734 WeakPolarHBondContact O-CB 3.36Å; G730-Y734 WeakPolarHBondContact O-CD2 3.27Å; G730-Y734 PolarHBondContact O-N 2.71Å
735K39.9Very low47.2Very low105 Ų10587.8 Ų87.846%0.45744%0.443SS..  trans-132.1102.9177.3-81.1171160.6-170.70112C731 Q737C731-K735 WeakPolarHBondContact O-CB 3.38Å; C731-K735 PolarHBondContact O-N 2.76Å; K735-Q737 HydrophobicContact CB-CB 4.03Å; K735-Q737 HydrophobicContact CB-CG 4.13Å; K735-Q737 HydrophobicContact CD-CG 3.97Å; K735-Q737 HydrophobicContact CG-CG 4.27Å; K735-Q737 VanDerWaalsContact NZ-NE2 3.18Å; K735-Q737 PolarHBondContact O-N 2.84Å
736R36.9Very low47.9Very low243 Ų24390 Ų9092%0.91745%0.452SS*.  trans-62.677.7137.6-83.5-174171.1-178-2.6107.2E738R736-E738 PolarHBondContact O-N 3.17Å
737Q35.8Very low49.1Very low104 Ų10490.6 Ų90.649%0.48646%0.455SS..  trans-82.4113.4174.9-122.4179.5-19.100108.3K735 V740K735-Q737 HydrophobicContact CB-CB 4.03Å; K735-Q737 HydrophobicContact CB-CG 4.13Å; K735-Q737 HydrophobicContact CD-CG 3.97Å; K735-Q737 HydrophobicContact CG-CG 4.27Å; K735-Q737 VanDerWaalsContact NZ-NE2 3.18Å; K735-Q737 PolarHBondContact O-N 2.84Å; Q737-V740 HydrophobicContact CG-CG2 4.22Å
738E33.5Very low50.6Low170 Ų17092.4 Ų92.479%0.79446%0.462SS*.  trans-48.6146.4155.5-64-178.6154.400109.4R736 V740R736-E738 PolarHBondContact O-N 3.17Å; E738-V740 PolarHBondContact O-N 3.25Å; E738-V740 VanDerWaalsContact O-N 3.08Å
739P35.4Very low51.9Low115 Ų11594.1 Ų94.175%0.74747%0.465SS*.  trans-53.9119.6-174.920.5-32.9000111L741P739-L741 VanDerWaalsContact C-N 3.35Å; P739-L741 PolarHBondContact O-N 2.94Å
740V43.7Very low53.5Low104 Ų10495.9 Ų95.963%0.6348%0.484SS*.  trans-7292-176.6-177.90000109.4Q737 E738 S742Q737-V740 HydrophobicContact CG-CG2 4.22Å; E738-V740 PolarHBondContact O-N 3.25Å; E738-V740 VanDerWaalsContact O-N 3.08Å; V740-S742 PolarHBondContact O-N 3.23Å
741L45.1Very low55.2Low64 Ų64102.2 Ų102.234%0.33552%0.517SS..  trans-52.7125.3173.8-61.8166.8000110.4P739 E745 K746 I749P739-L741 VanDerWaalsContact C-N 3.35Å; P739-L741 PolarHBondContact O-N 2.94Å; L741-E745 HydrophobicContact CB-CB 4.16Å; L741-E745 HydrophobicContact CD2-CB 4.1Å; L741-K746 HydrophobicContact CB-CG 3.62Å; L741-K746 HydrophobicContact CD1-CG 4.46Å; L741-K746 VanDerWaalsContact O-CE 3.29Å; L741-K746 WeakPolarHBondContact O-CE 3.29Å; L741-I749 HydrophobicContact CD1-CD1 3.48Å; L741-I749 VanDerWaalsContact CD1-CD1 3.48Å; L741-I749 HydrophobicContact CD2-CD1 3.49Å; L741-I749 VanDerWaalsContact CD2-CD1 3.49Å; L741-I749 HydrophobicContact CG-CD1 4.07Å
742S66.6Low56.9Low52 Ų52106.6 Ų106.636%0.36453%0.531SS..  trans-60.5161.9173.567.60000111.4V740 K744 E745 K746V740-S742 PolarHBondContact O-N 3.23Å; S742-K744 PolarHBondContact O-N 3.35Å; S742-E745 WeakPolarHBondContact CB-OE2 3.3Å; S742-E745 PolarHBondContact N-OE2 3.48Å; S742-E745 PolarHBondContact O-N 2.97Å; S742-E745 WeakPolarHBondContact OG-CG 3.41Å; S742-E745 PolarHBondContact OG-N 3.36Å; S742-E745 PolarHBondContact OG-OE2 3.31Å; S742-K746 PolarHBondContact O-N 2.88Å
743S68.8Low58.4Low105 Ų105107.4 Ų107.473%0.73454%0.537SS*.Hα-helixtrans-54.8-28.9176.6-45.30000113.2K747S743-K747 PolarHBondContact O-N 3.04Å
744K71.8Confident60Low163 Ų163108.5 Ų108.571%0.70955%0.551SS**Hα-helixtrans-76.9-43.5176.7-159.8176.5-173.9179.70111.4S742 K747 I748S742-K744 PolarHBondContact O-N 3.35Å; K744-K747 PolarHBondContact O-N 3.32Å; K744-I748 HydrophobicContact CG-CD1 4.32Å; K744-I748 VanDerWaalsContact O-CG1 3.28Å; K744-I748 WeakPolarHBondContact O-CG1 3.28Å; K744-I748 PolarHBondContact O-N 3.27Å
745E70.4Confident61.3Low94 Ų94108.1 Ų108.144%0.43956%0.557SS.*Hα-helixtrans-68.4-40.5175.8-69.1158.4131.100112L741 S742 K747 I748 I749L741-E745 HydrophobicContact CB-CB 4.16Å; L741-E745 HydrophobicContact CD2-CB 4.1Å; S742-E745 WeakPolarHBondContact CB-OE2 3.3Å; S742-E745 PolarHBondContact N-OE2 3.48Å; S742-E745 PolarHBondContact O-N 2.97Å; S742-E745 WeakPolarHBondContact OG-CG 3.41Å; S742-E745 PolarHBondContact OG-N 3.36Å; S742-E745 PolarHBondContact OG-OE2 3.31Å; E745-K747 VanDerWaalsContact C-N 3.32Å; E745-K747 PolarHBondContact O-N 2.81Å; E745-I748 PolarHBondContact O-N 2.93Å; E745-I749 WeakPolarHBondContact O-CB 3.35Å; E745-I749 WeakPolarHBondContact O-CG1 3.48Å; E745-I749 PolarHBondContact O-N 3.19Å
746K67.7Low62.7Low124 Ų124108.7 Ų108.754%0.53956%0.564SS.*Hα-helixtrans-57.9-43.3171.1-73-172.6178.2-176.20111.7L741 S742 A750L741-K746 HydrophobicContact CB-CG 3.62Å; L741-K746 HydrophobicContact CD1-CG 4.46Å; L741-K746 VanDerWaalsContact O-CE 3.29Å; L741-K746 WeakPolarHBondContact O-CE 3.29Å; S742-K746 PolarHBondContact O-N 2.88Å; K746-A750 WeakPolarHBondContact O-CB 3.45Å; K746-A750 PolarHBondContact O-N 3.15Å
747K75.7Confident64.4Low163 Ų163104.4 Ų104.471%0.70955%0.553SS**Hα-helixtrans-62.7-46.6172.7-86.2-171.9173.7-175.10111.9S743 K744 E745 I749 A750 L751S743-K747 PolarHBondContact O-N 3.04Å; K744-K747 PolarHBondContact O-N 3.32Å; E745-K747 VanDerWaalsContact C-N 3.32Å; E745-K747 PolarHBondContact O-N 2.81Å; K747-I749 PolarHBondContact O-N 2.79Å; K747-A750 PolarHBondContact O-N 3.15Å; K747-L751 WeakPolarHBondContact O-CB 3.37Å; K747-L751 PolarHBondContact O-N 2.85Å
748I76.9Confident66.2Low83 Ų83105.8 Ų105.843%0.42656%0.559SS.*Hα-helixtrans-62.1-42.7179.3-70.5163.1000111.5K744 E745 L751 K752K744-I748 HydrophobicContact CG-CD1 4.32Å; K744-I748 VanDerWaalsContact O-CG1 3.28Å; K744-I748 WeakPolarHBondContact O-CG1 3.28Å; K744-I748 PolarHBondContact O-N 3.27Å; E745-I748 PolarHBondContact O-N 2.93Å; I748-L751 PolarHBondContact O-N 3.39Å; I748-K752 HydrophobicContact CG2-CD 4.28Å; I748-K752 WeakPolarHBondContact O-CB 3.15Å; I748-K752 WeakPolarHBondContact O-CG 3.48Å; I748-K752 PolarHBondContact O-N 3.02Å
749I69.5Low67.7Low74 Ų74104.2 Ų104.238%0.37955%0.549SS..Hα-helixtrans-68.7-46.3177.8-71.9163.5000110L741 E745 K747 L751 K752 T753L741-I749 HydrophobicContact CD1-CD1 3.48Å; L741-I749 VanDerWaalsContact CD1-CD1 3.48Å; L741-I749 HydrophobicContact CD2-CD1 3.49Å; L741-I749 VanDerWaalsContact CD2-CD1 3.49Å; L741-I749 HydrophobicContact CG-CD1 4.07Å; E745-I749 WeakPolarHBondContact O-CB 3.35Å; E745-I749 WeakPolarHBondContact O-CG1 3.48Å; E745-I749 PolarHBondContact O-N 3.19Å; K747-I749 PolarHBondContact O-N 2.79Å; I749-L751 VanDerWaalsContact C-N 3.29Å; I749-L751 PolarHBondContact O-N 3.3Å; I749-K752 PolarHBondContact O-N 3.31Å; I749-T753 VanDerWaalsContact O-CB 3.31Å; I749-T753 WeakPolarHBondContact O-CB 3.4Å; I749-T753 PolarHBondContact O-N 3.5Å; I749-T753 PolarHBondContact O-OG1 3.1Å
750A72.9Confident68.9Low61 Ų61101.1 Ų101.150%0.50453%0.534SS..Hα-helixtrans-57.1-42174.500000112.2K746 K747 A754K746-A750 WeakPolarHBondContact O-CB 3.45Å; K746-A750 PolarHBondContact O-N 3.15Å; K747-A750 PolarHBondContact O-N 3.15Å; A750-A754 VanDerWaalsContact O-CB 3.22Å; A750-A754 WeakPolarHBondContact O-CB 3.38Å; A750-A754 PolarHBondContact O-N 2.9Å
751L77.4Confident69.9Low133 Ų133100.3 Ų100.370%0.69654%0.538SS*.Hα-helixtrans-67.5-41.7177.1-128.9130.3000112.3K747 I748 I749 C755K747-L751 WeakPolarHBondContact O-CB 3.37Å; K747-L751 PolarHBondContact O-N 2.85Å; I748-L751 PolarHBondContact O-N 3.39Å; I749-L751 VanDerWaalsContact C-N 3.29Å; I749-L751 PolarHBondContact O-N 3.3Å; L751-C755 WeakPolarHBondContact O-CB 3.39Å; L751-C755 PolarHBondContact O-N 3.44Å
752K74.8Confident70.7Confident139 Ų139102.9 Ų102.960%0.60456%0.556SS**Hα-helixtrans-66.6-42.8175-79-175.8174.1-172.60112I748 I749 C755 L756I748-K752 HydrophobicContact CG2-CD 4.28Å; I748-K752 WeakPolarHBondContact O-CB 3.15Å; I748-K752 WeakPolarHBondContact O-CG 3.48Å; I748-K752 PolarHBondContact O-N 3.02Å; I749-K752 PolarHBondContact O-N 3.31Å; K752-C755 PolarHBondContact O-N 3.46Å; K752-L756 WeakPolarHBondContact O-CB 3.42Å; K752-L756 VanDerWaalsContact O-CG 3.29Å; K752-L756 WeakPolarHBondContact O-CG 3.42Å; K752-L756 PolarHBondContact O-N 2.8Å
753T72.8Confident69.3Low64 Ų64102 Ų10239%0.39356%0.555SS.*Hα-helixtrans-68-37177-59.60000111.4I749 L756 K757I749-T753 VanDerWaalsContact O-CB 3.31Å; I749-T753 WeakPolarHBondContact O-CB 3.4Å; I749-T753 PolarHBondContact O-N 3.5Å; I749-T753 PolarHBondContact O-OG1 3.1Å; T753-L756 PolarHBondContact O-N 3.03Å; T753-K757 WeakPolarHBondContact O-CB 3.11Å; T753-K757 WeakPolarHBondContact O-CG 3.26Å; T753-K757 PolarHBondContact O-N 2.63Å
754A76.6Confident68Low59 Ų59105.2 Ų105.249%0.48856%0.556SS.*Hα-helixtrans-62.6-50.1171.200000111.2A750 L756 K757 E758A750-A754 VanDerWaalsContact O-CB 3.22Å; A750-A754 WeakPolarHBondContact O-CB 3.38Å; A750-A754 PolarHBondContact O-N 2.9Å; A754-L756 VanDerWaalsContact C-N 3.31Å; A754-L756 PolarHBondContact O-N 3.37Å; A754-K757 PolarHBondContact O-N 2.87Å; A754-E758 WeakPolarHBondContact O-CB 3.41Å; A754-E758 PolarHBondContact O-N 3.1Å
755C75.2Confident67Low52 Ų52105.8 Ų105.835%0.35156%0.561SS.*Hα-helixtrans-62.2-35.6176.6-175.30000112.9L751 K752 K759L751-C755 WeakPolarHBondContact O-CB 3.39Å; L751-C755 PolarHBondContact O-N 3.44Å; K752-C755 PolarHBondContact O-N 3.46Å; C755-K759 WeakPolarHBondContact O-CB 3.18Å; C755-K759 VanDerWaalsContact O-CG 3.31Å; C755-K759 WeakPolarHBondContact O-CG 3.24Å; C755-K759 PolarHBondContact O-N 3.2Å
756L69.1Low65.9Low116 Ų116107.1 Ų107.161%0.60757%0.572SS**Hα-helixtrans-71.1-38.5174.3-77.2168.4000112.4K752 T753 A754 A760K752-L756 WeakPolarHBondContact O-CB 3.42Å; K752-L756 VanDerWaalsContact O-CG 3.29Å; K752-L756 WeakPolarHBondContact O-CG 3.42Å; K752-L756 PolarHBondContact O-N 2.8Å; T753-L756 PolarHBondContact O-N 3.03Å; A754-L756 VanDerWaalsContact C-N 3.31Å; A754-L756 PolarHBondContact O-N 3.37Å; L756-A760 VanDerWaalsContact O-CB 3.28Å; L756-A760 WeakPolarHBondContact O-CB 3.43Å; L756-A760 PolarHBondContact O-N 3Å
757K72Confident64.8Low154 Ų154107 Ų10767%0.6759%0.586SS**Hα-helixtrans-65.6-40.6172.6-80.8-172.3174-167.90111.7T753 A754 A760 A761T753-K757 WeakPolarHBondContact O-CB 3.11Å; T753-K757 WeakPolarHBondContact O-CG 3.26Å; T753-K757 PolarHBondContact O-N 2.63Å; A754-K757 PolarHBondContact O-N 2.87Å; K757-A760 PolarHBondContact O-N 2.87Å; K757-A761 VanDerWaalsContact O-CB 3.3Å; K757-A761 WeakPolarHBondContact O-CB 3.48Å; K757-A761 PolarHBondContact O-N 2.91Å
758E73.6Confident63.8Low133 Ų133104.1 Ų104.162%0.62159%0.586SS**Hα-helixtrans-61.4-51.9174.5-169.2172.1-14000109.9A754 A760 A761 V762A754-E758 WeakPolarHBondContact O-CB 3.41Å; A754-E758 PolarHBondContact O-N 3.1Å; E758-A760 VanDerWaalsContact C-N 3.32Å; E758-A760 PolarHBondContact O-N 3.39Å; E758-A761 CarbonylContact O-C 3.44Å; E758-A761 WeakPolarHBondContact O-CA 3.36Å; E758-A761 WeakPolarHBondContact O-CB 3.4Å; E758-A761 PolarHBondContact O-N 3.43Å; E758-V762 WeakPolarHBondContact O-CG2 3.5Å; E758-V762 PolarHBondContact O-N 2.79Å
759K66.2Low62.4Low136 Ų136102.4 Ų102.459%0.59158%0.582SS**Hα-helixtrans-58.9-36.6174.1-75.6179.1177.7-173.90114.2C755 A761 G763C755-K759 WeakPolarHBondContact O-CB 3.18Å; C755-K759 VanDerWaalsContact O-CG 3.31Å; C755-K759 WeakPolarHBondContact O-CG 3.24Å; C755-K759 PolarHBondContact O-N 3.2Å; K759-A761 VanDerWaalsContact C-N 3.33Å; K759-G763 PolarHBondContact O-N 3.36Å
760A60.9Low61.4Low51 Ų51102.9 Ų102.942%0.42159%0.592SS.*Hα-helixtrans-69.1-32.9173.700000112L756 K757 E758 G763 F764L756-A760 VanDerWaalsContact O-CB 3.28Å; L756-A760 WeakPolarHBondContact O-CB 3.43Å; L756-A760 PolarHBondContact O-N 3Å; K757-A760 PolarHBondContact O-N 2.87Å; E758-A760 VanDerWaalsContact C-N 3.32Å; E758-A760 PolarHBondContact O-N 3.39Å; A760-G763 PolarHBondContact O-N 2.72Å; A760-F764 HydrophobicContact CB-CE2 4.17Å
761A63.6Low60.6Low87 Ų87105.8 Ų105.872%0.71960%0.599SS**Hα-helixtrans-76.6-30.6177.100000113.7K757 E758 K759 G763K757-A761 VanDerWaalsContact O-CB 3.3Å; K757-A761 WeakPolarHBondContact O-CB 3.48Å; K757-A761 PolarHBondContact O-N 2.91Å; E758-A761 CarbonylContact O-C 3.44Å; E758-A761 WeakPolarHBondContact O-CA 3.36Å; E758-A761 WeakPolarHBondContact O-CB 3.4Å; E758-A761 PolarHBondContact O-N 3.43Å; K759-A761 VanDerWaalsContact C-N 3.33Å; A761-G763 PolarHBondContact O-N 3.47Å
762V62.2Low59.6Low117 Ų117107.8 Ų107.871%0.70960%0.602SS**SBendtrans-71-10.5168.5-1540000111.8E758E758-V762 WeakPolarHBondContact O-CG2 3.5Å; E758-V762 PolarHBondContact O-N 2.79Å
763G37.6Very low58.8Low33 Ų33106.9 Ų106.934%0.3460%0.598SS.*  trans82.1145.5176.200000113.4K759 A760 A761 Q765K759-G763 PolarHBondContact O-N 3.36Å; A760-G763 PolarHBondContact O-N 2.72Å; A761-G763 PolarHBondContact O-N 3.47Å; G763-Q765 PolarHBondContact O-N 3.03Å
764F41.8Very low58.6Low173 Ų173109 Ų10976%0.75960%0.604SS**SBendtrans-77.847.5174.3-66.9-92.6000111.6A760A760-F764 HydrophobicContact CB-CE2 4.17Å
765Q50.2Low58.2Low176 Ų176111.4 Ų111.482%0.82261%0.608SS**  trans-95.5-6.8-173.8-66.4-169.6-6.700114.2G763 S767G763-Q765 PolarHBondContact O-N 3.03Å; Q765-S767 PolarHBondContact O-N 2.59Å; Q765-S767 VanDerWaalsContact O-N 3.1Å
766D46.9Very low57.6Low122 Ų122116.2 Ų116.265%0.65262%0.623SS**  trans-77.295.3171.9-95.5-21.6000111.3S768 S769D766-S768 PolarHBondContact O-N 3.44Å; D766-S769 PolarHBondContact O-N 2.93Å; D766-S769 PolarHBondContact O-OG 3.39Å
767S45.5Very low57.7Low121 Ų121115.6 Ų115.685%0.84662%0.621SS**THydrogen-bonded Turntrans-61.1-4179.157.60000115.5Q765Q765-S767 PolarHBondContact O-N 2.59Å; Q765-S767 VanDerWaalsContact O-N 3.1Å
768S53Low57.8Low102 Ų102111.2 Ų111.271%0.71360%0.604SS**THydrogen-bonded Turntrans-92.31.6177.462.60000114.2D766D766-S768 PolarHBondContact O-N 3.44Å
769S47.8Very low57.7Low47 Ų47108 Ų10833%0.32960%0.596SS.*  trans-101.7-10.2-171.362.60000115.7D766 D771 K772 F773D766-S769 PolarHBondContact O-N 2.93Å; D766-S769 PolarHBondContact O-OG 3.39Å; S769-D771 PolarHBondContact O-N 3.3Å; S769-K772 PolarHBondContact O-N 3.25Å; S769-F773 WeakPolarHBondContact O-CD2 3.47Å
770S48.2Very low57.8Low84 Ų84107.1 Ų107.159%0.58760%0.596SS**Hα-helixtrans-56.5-47-174.3-172.30000114.2K772 F773 H774S770-K772 PolarHBondContact O-N 3.17Å; S770-K772 VanDerWaalsContact O-N 3.09Å; S770-F773 PolarHBondContact O-N 3.02Å; S770-H774 PolarHBondContact O-N 3.38Å
771D57.2Low58.4Low123 Ų123108.9 Ų108.966%0.65860%0.595SS**Hα-helixtrans-63-22.6-174.2-65.6-25.4000114.2S769 N775S769-D771 PolarHBondContact O-N 3.3Å; D771-N775 PolarHBondContact O-ND2 2.93Å
772K57.3Low58.8Low174 Ų174111.4 Ų111.476%0.75759%0.59SS**Hα-helixtrans-72.5-31.9176.7-97.6179.9177.5169.40112.9S769 S770S769-K772 PolarHBondContact O-N 3.25Å; S770-K772 PolarHBondContact O-N 3.17Å; S770-K772 VanDerWaalsContact O-N 3.09Å
773F56.8Low58.9Low120 Ų120110.2 Ų110.253%0.52658%0.579SS.*Hα-helixtrans-82.4-40.3180-63.3-75000111S769 S770 N775 F776 D777S769-F773 WeakPolarHBondContact O-CD2 3.47Å; S770-F773 PolarHBondContact O-N 3.02Å; F773-N775 VanDerWaalsContact C-N 3.27Å; F773-N775 PolarHBondContact O-N 3.11Å; F773-F776 WeakPolarHBondContact O-CA 3.02Å; F773-F776 WeakPolarHBondContact O-CB 2.98Å; F773-F776 PolarHBondContact O-N 3.02Å; F773-D777 PolarHBondContact O-N 3.31Å
774H69.5Low60.3Low110 Ų110113.1 Ų113.151%0.50958%0.584SS.*Hα-helixtrans-55.1-40.2177.4-171.654.1000113.4S770 F776 D777 L778S770-H774 PolarHBondContact O-N 3.38Å; H774-F776 VanDerWaalsContact C-N 3.33Å; H774-F776 PolarHBondContact O-N 3.16Å; H774-D777 PolarHBondContact O-N 3.18Å; H774-L778 WeakPolarHBondContact O-CB 3.31Å; H774-L778 WeakPolarHBondContact O-CG 3.27Å; H774-L778 PolarHBondContact O-N 3.28Å
775N67.9Low61.7Low109 Ų109111.1 Ų111.158%0.58358%0.575SS**Hα-helixtrans-67.2-31174.5-79.1-73.4000113.6D771 F773 S779D771-N775 PolarHBondContact O-ND2 2.93Å; F773-N775 VanDerWaalsContact C-N 3.27Å; F773-N775 PolarHBondContact O-N 3.11Å; N775-S779 WeakPolarHBondContact O-CB 3.46Å; N775-S779 PolarHBondContact O-N 2.87Å
776F62.5Low62.5Low153 Ų153111.5 Ų111.567%0.67157%0.569SS**Hα-helixtrans-73-44.1175.9-120.2-83.1000111.2F773 H774 S779 M780F773-F776 WeakPolarHBondContact O-CA 3.02Å; F773-F776 WeakPolarHBondContact O-CB 2.98Å; F773-F776 PolarHBondContact O-N 3.02Å; H774-F776 VanDerWaalsContact C-N 3.33Å; H774-F776 PolarHBondContact O-N 3.16Å; F776-S779 WeakPolarHBondContact O-CB 3.48Å; F776-S779 PolarHBondContact O-N 3.14Å; F776-S779 VanDerWaalsContact O-N 3.08Å; F776-M780 PolarHBondContact O-N 3.32Å
777D71.2Confident62.7Low102 Ų102112.1 Ų112.155%0.54557%0.571SS.*Hα-helixtrans-63.6-45.6178.3-60.1-32.2000111F773 H774 S779 M780 E781F773-D777 PolarHBondContact O-N 3.31Å; H774-D777 PolarHBondContact O-N 3.18Å; D777-S779 PolarHBondContact O-N 2.91Å; D777-M780 WeakPolarHBondContact O-CB 3.37Å; D777-M780 PolarHBondContact O-N 2.84Å; D777-M780 VanDerWaalsContact O-N 3.17Å; D777-E781 WeakPolarHBondContact O-CB 3.41Å; D777-E781 PolarHBondContact O-N 2.62Å
778L74.4Confident63.4Low62 Ų62115.4 Ų115.433%0.32557%0.565SS.*Hα-helixtrans-58.7-32.1171.6-78.3170.1000113.2H774 K782H774-L778 WeakPolarHBondContact O-CB 3.31Å; H774-L778 WeakPolarHBondContact O-CG 3.27Å; H774-L778 PolarHBondContact O-N 3.28Å; L778-K782 WeakPolarHBondContact O-CB 3.41Å; L778-K782 VanDerWaalsContact O-CG 3.29Å; L778-K782 WeakPolarHBondContact O-CG 3.3Å; L778-K782 PolarHBondContact O-N 3.04Å
779S71.1Confident63.2Low66 Ų66117.9 Ų117.946%0.46256%0.559SS.*Hα-helixtrans-78.3-34.4177.6-164.50000112.2N775 F776 D777 L783N775-S779 WeakPolarHBondContact O-CB 3.46Å; N775-S779 PolarHBondContact O-N 2.87Å; F776-S779 WeakPolarHBondContact O-CB 3.48Å; F776-S779 PolarHBondContact O-N 3.14Å; F776-S779 VanDerWaalsContact O-N 3.08Å; D777-S779 PolarHBondContact O-N 2.91Å; S779-L783 PolarHBondContact O-N 3.05Å; S779-L783 VanDerWaalsContact O-N 3.17Å
780M68.7Low63.1Low118 Ų118121 Ų12158%0.58158%0.578SS**Hα-helixtrans-65.4-47.6171.1-81.7-62-57.800111.3F776 D777 K782 L783 E784F776-M780 PolarHBondContact O-N 3.32Å; D777-M780 WeakPolarHBondContact O-CB 3.37Å; D777-M780 PolarHBondContact O-N 2.84Å; D777-M780 VanDerWaalsContact O-N 3.17Å; M780-K782 VanDerWaalsContact C-N 3.31Å; M780-K782 PolarHBondContact O-N 3.23Å; M780-L783 WeakPolarHBondContact O-CA 3.48Å; M780-L783 WeakPolarHBondContact O-CB 3.49Å; M780-L783 PolarHBondContact O-N 2.81Å; M780-E784 PolarHBondContact O-N 2.85Å
781E72.9Confident63.2Low87 Ų87122.7 Ų122.741%0.40758%0.581SS.*Hα-helixtrans-61.1-39.2178.9-161.7-159.7166.500111.9D777 L783 E784 K785D777-E781 WeakPolarHBondContact O-CB 3.41Å; D777-E781 PolarHBondContact O-N 2.62Å; E781-L783 VanDerWaalsContact C-N 3.34Å; E781-L783 PolarHBondContact O-N 3.09Å; E781-E784 PolarHBondContact O-N 2.85Å; E781-K785 HydrophobicContact CG-CD 4.45Å; E781-K785 WeakPolarHBondContact O-CB 3.32Å; E781-K785 WeakPolarHBondContact O-CG 3.46Å; E781-K785 PolarHBondContact O-N 2.81Å; E781-K785 VanDerWaalsContact OE1-CE 3.29Å; E781-K785 WeakPolarHBondContact OE1-CE 3.32Å; E781-K785 IonicContact OE1-NZ 2.63Å; E781-K785 PolarHBondContact OE1-NZ 2.95Å
782K72.7Confident62.7Low141 Ų141121.4 Ų121.461%0.61358%0.577SS**Hα-helixtrans-65.5-33.2172.9-80.2173.6-178.7170.60113.3L778 M780 R786L778-K782 WeakPolarHBondContact O-CB 3.41Å; L778-K782 VanDerWaalsContact O-CG 3.29Å; L778-K782 WeakPolarHBondContact O-CG 3.3Å; L778-K782 PolarHBondContact O-N 3.04Å; M780-K782 VanDerWaalsContact C-N 3.31Å; M780-K782 PolarHBondContact O-N 3.23Å; K782-R786 WeakPolarHBondContact O-CG 3.37Å; K782-R786 PolarHBondContact O-N 3.08Å
783L64.6Low61.8Low92 Ų92118.5 Ų118.548%0.48258%0.579SS.*Hα-helixtrans-72.3-43.3175.9-108.7152.3000111.1S779 M780 E781 R786 L787S779-L783 PolarHBondContact O-N 3.05Å; S779-L783 VanDerWaalsContact O-N 3.17Å; M780-L783 WeakPolarHBondContact O-CA 3.48Å; M780-L783 WeakPolarHBondContact O-CB 3.49Å; M780-L783 PolarHBondContact O-N 2.81Å; E781-L783 VanDerWaalsContact C-N 3.34Å; E781-L783 PolarHBondContact O-N 3.09Å; L783-R786 WeakPolarHBondContact O-CB 3.34Å; L783-R786 PolarHBondContact O-N 2.96Å; L783-R786 VanDerWaalsContact O-N 3.11Å; L783-L787 PolarHBondContact O-N 3.1Å
784E66.2Low60.8Low94 Ų94115.6 Ų115.644%0.43958%0.583SS.*Hα-helixtrans-64.6-43.2177.4-154.6-169.1153.700111.8M780 E781 R786 L787 R788M780-E784 PolarHBondContact O-N 2.85Å; E781-E784 PolarHBondContact O-N 2.85Å; E784-R786 PolarHBondContact O-N 2.95Å; E784-L787 PolarHBondContact O-N 2.87Å; E784-L787 VanDerWaalsContact O-N 3.15Å; E784-R788 WeakPolarHBondContact O-CG 3.28Å; E784-R788 PolarHBondContact O-N 2.95Å; E784-R788 IonicContact OE1-CZ 2.91Å; E784-R788 VanDerWaalsContact OE1-CZ 3.28Å; E784-R788 IonicContact OE1-NE 3.63Å; E784-R788 PolarHBondContact OE1-NE 3.03Å; E784-R788 VanDerWaalsContact OE1-NE 3.07Å; E784-R788 IonicContact OE1-NH2 2.66Å; E784-R788 PolarHBondContact OE1-NH2 3.43Å
785K72.1Confident59.1Low131 Ų131115.3 Ų115.357%0.5760%0.599SS**Hα-helixtrans-61.6-21.5172.8-76.6172.7174.5170.60113.9E781E781-K785 HydrophobicContact CG-CD 4.45Å; E781-K785 WeakPolarHBondContact O-CB 3.32Å; E781-K785 WeakPolarHBondContact O-CG 3.46Å; E781-K785 PolarHBondContact O-N 2.81Å; E781-K785 VanDerWaalsContact OE1-CE 3.29Å; E781-K785 WeakPolarHBondContact OE1-CE 3.32Å; E781-K785 IonicContact OE1-NZ 2.63Å; E781-K785 PolarHBondContact OE1-NZ 2.95Å
786R66.4Low58Low184 Ų184114.2 Ų114.269%0.69460%0.596SS**Hα-helixtrans-85.8-37.6172.3-76.8177.9175.6-171.9-1.4112.5K782 L783 E784 R788 R789K782-R786 WeakPolarHBondContact O-CG 3.37Å; K782-R786 PolarHBondContact O-N 3.08Å; L783-R786 WeakPolarHBondContact O-CB 3.34Å; L783-R786 PolarHBondContact O-N 2.96Å; L783-R786 VanDerWaalsContact O-N 3.11Å; E784-R786 PolarHBondContact O-N 2.95Å; R786-R788 VanDerWaalsContact C-N 3.3Å; R786-R788 PolarHBondContact O-N 2.81Å; R786-R789 PolarHBondContact O-N 3.25Å
787L50.4Low57Low134 Ų134108.4 Ų108.470%0.70258%0.58SS**Hα-helixtrans-70.1-23.9177.8-75162.7000113.5L783 E784 R789L783-L787 PolarHBondContact O-N 3.1Å; E784-L787 PolarHBondContact O-N 2.87Å; E784-L787 VanDerWaalsContact O-N 3.15Å; L787-R789 VanDerWaalsContact C-N 3.32Å; L787-R789 PolarHBondContact O-N 3.47Å
788R59.8Low55.6Low191 Ų191109.4 Ų109.472%0.72159%0.589SS**THydrogen-bonded Turntrans-82.64.1176.2-68.7-176.7-176.9-1397.2114.9E784 R786E784-R788 WeakPolarHBondContact O-CG 3.28Å; E784-R788 PolarHBondContact O-N 2.95Å; E784-R788 IonicContact OE1-CZ 2.91Å; E784-R788 VanDerWaalsContact OE1-CZ 3.28Å; E784-R788 IonicContact OE1-NE 3.63Å; E784-R788 PolarHBondContact OE1-NE 3.03Å; E784-R788 VanDerWaalsContact OE1-NE 3.07Å; E784-R788 IonicContact OE1-NH2 2.66Å; E784-R788 PolarHBondContact OE1-NH2 3.43Å; R786-R788 VanDerWaalsContact C-N 3.3Å; R786-R788 PolarHBondContact O-N 2.81Å
789R49.5Very low54.2Low153 Ų153110.5 Ų110.558%0.57760%0.602SS**  trans-81.5124178.4-81.5-166.7-178.8-172.3-2.8111.7R786 L787 D791 T792R786-R789 PolarHBondContact O-N 3.25Å; L787-R789 VanDerWaalsContact C-N 3.32Å; L787-R789 PolarHBondContact O-N 3.47Å; R789-D791 WeakPolarHBondContact CB-OD1 3.14Å; R789-D791 PolarHBondContact O-N 2.85Å; R789-D791 VanDerWaalsContact O-N 3.16Å; R789-T792 PolarHBondContact O-OG1 2.81Å
790P46.6Very low53.2Low113 Ų113112.3 Ų112.373%0.73460%0.603SS**THydrogen-bonded Turntrans-61.1-23.8179.9-22.633.7000114.2T792 S793P790-T792 VanDerWaalsContact C-N 3.3Å; P790-T792 PolarHBondContact O-N 2.93Å; P790-S793 PolarHBondContact O-OG 3.07Å; P790-S793 VanDerWaalsContact O-OG 3.06Å
791D49.7Very low52.4Low119 Ų119112 Ų11264%0.63660%0.603SS**THydrogen-bonded Turntrans-72.8-8.6-172.934.3-57.6000115R789 S793R789-D791 WeakPolarHBondContact CB-OD1 3.14Å; R789-D791 PolarHBondContact O-N 2.85Å; R789-D791 VanDerWaalsContact O-N 3.16Å; D791-S793 PolarHBondContact O-N 2.93Å; D791-S793 VanDerWaalsContact O-N 3.14Å
792T47.3Very low51.3Low96 Ų96115 Ų11559%0.58962%0.615SS**  trans-87.448.7169.957.30000113.1R789 P790 G794R789-T792 PolarHBondContact O-OG1 2.81Å; P790-T792 VanDerWaalsContact C-N 3.3Å; P790-T792 PolarHBondContact O-N 2.93Å; T792-G794 PolarHBondContact O-N 3.36Å
793S36.8Very low50.4Low114 Ų114114.9 Ų114.980%0.79762%0.617SS**  trans-85.870.2173.5-68.20000111.1P790 D791P790-S793 PolarHBondContact O-OG 3.07Å; P790-S793 VanDerWaalsContact O-OG 3.06Å; D791-S793 PolarHBondContact O-N 2.93Å; D791-S793 VanDerWaalsContact O-N 3.14Å
794G36Very low49.7Very low58 Ų58116.5 Ų116.560%0.59862%0.623SS**SBendtrans164.9131.8176.800000115.4T792 V796T792-G794 PolarHBondContact O-N 3.36Å; G794-V796 PolarHBondContact O-N 3.29Å
795A34.1Very low49Very low104 Ų104117.9 Ų117.986%0.8663%0.629SS**  trans3.289.8164.300000118.5
796V44.8Very low48Very low86 Ų86117.1 Ų117.152%0.52163%0.632SS.*  trans-97.3105.5151.8-175.80000107.8G794 Q800 L801G794-V796 PolarHBondContact O-N 3.29Å; V796-Q800 HydrophobicContact CG1-CB 4.27Å; V796-L801 HydrophobicContact CG1-CD1 3.82Å
797G41Very low47.2Very low31 Ų31112.2 Ų112.232%0.3263%0.631SS.*  trans-64144.3-177.700000112.3S799 Q800 L801G797-S799 PolarHBondContact O-N 2.92Å; G797-Q800 PolarHBondContact O-N 3.27Å; G797-L801 PolarHBondContact O-N 2.84Å
798V42.1Very low47.2Very low124 Ų124111 Ų11175%0.75263%0.633SS**Hα-helixtrans-53.9-28.4177.5-176.90000112.1K802V798-K802 PolarHBondContact O-N 3.44Å
799S45.8Very low46.5Very low85 Ų85107.2 Ų107.259%0.59463%0.626SS**Hα-helixtrans-63.6-42172410000114G797 K802 Q803G797-S799 PolarHBondContact O-N 2.92Å; S799-K802 PolarHBondContact O-N 2.71Å; S799-Q803 PolarHBondContact O-N 3.29Å; S799-Q803 VanDerWaalsContact O-N 3.11Å
800Q51Low45.9Very low103 Ų103103 Ų10348%0.48163%0.63SS.*Hα-helixtrans-69.7-39.7176.1-82.8175.8-26.200111.7V796 G797 K802 Q803 M804V796-Q800 HydrophobicContact CG1-CB 4.27Å; G797-Q800 PolarHBondContact O-N 3.27Å; Q800-K802 PolarHBondContact O-N 2.84Å; Q800-Q803 PolarHBondContact O-N 3.38Å; Q800-M804 WeakPolarHBondContact O-CG 3.36Å; Q800-M804 PolarHBondContact O-N 2.63Å
801L50.8Low45.7Very low111 Ų111106.2 Ų106.258%0.58164%0.638SS**Hα-helixtrans-56.9-41.3173.2-122.684.8000111.5V796 G797 M804 H805V796-L801 HydrophobicContact CG1-CD1 3.82Å; G797-L801 PolarHBondContact O-N 2.84Å; L801-M804 PolarHBondContact O-N 2.87Å; L801-H805 WeakPolarHBondContact O-CB 3.46Å; L801-H805 PolarHBondContact O-N 2.87Å
802K50.7Low45.2Very low152 Ų152108.4 Ų108.466%0.66165%0.648SS**Hα-helixtrans-68.7-35.2179-146.1172.2-170.7176.50112.7V798 S799 Q800 N806V798-K802 PolarHBondContact O-N 3.44Å; S799-K802 PolarHBondContact O-N 2.71Å; Q800-K802 PolarHBondContact O-N 2.84Å; K802-N806 VanDerWaalsContact O-CG 3.31Å; K802-N806 PolarHBondContact O-N 2.89Å
803Q52.5Low44.4Very low138 Ų138107.9 Ų107.965%0.64565%0.653SS**Hα-helixtrans-68.8-43.8172.8-76179.8-19.400112.1S799 Q800 H805 N806 A807S799-Q803 PolarHBondContact O-N 3.29Å; S799-Q803 VanDerWaalsContact O-N 3.11Å; Q800-Q803 PolarHBondContact O-N 3.38Å; Q803-H805 PolarHBondContact O-N 2.87Å; Q803-N806 PolarHBondContact O-N 3.38Å; Q803-A807 PolarHBondContact O-N 3.44Å
804M50.7Low44.2Very low125 Ų125111 Ų11162%0.61666%0.657SS**Hα-helixtrans-62.7-41.6176.9-70.3176.96500112.2Q800 L801 N806 A807 S808Q800-M804 WeakPolarHBondContact O-CG 3.36Å; Q800-M804 PolarHBondContact O-N 2.63Å; L801-M804 PolarHBondContact O-N 2.87Å; M804-N806 VanDerWaalsContact C-N 3.33Å; M804-N806 PolarHBondContact O-N 2.84Å; M804-A807 PolarHBondContact O-N 3.43Å; M804-S808 PolarHBondContact O-N 2.56Å
805H51.1Low44.1Very low123 Ų123119.1 Ų119.157%0.56967%0.67SS**Hα-helixtrans-66.6-32.2177-166.9-67.5000112.9L801 Q803 I809L801-H805 WeakPolarHBondContact O-CB 3.46Å; L801-H805 PolarHBondContact O-N 2.87Å; Q803-H805 PolarHBondContact O-N 2.87Å; H805-I809 WeakPolarHBondContact CE1-CD1 3.35Å
806N51.9Low44.1Very low116 Ų116121.7 Ų121.762%0.6267%0.669SS**Hα-helixtrans-74-34.4174.8-75.5-9.9000112.4K802 Q803 M804K802-N806 VanDerWaalsContact O-CG 3.31Å; K802-N806 PolarHBondContact O-N 2.89Å; Q803-N806 PolarHBondContact O-N 3.38Å; M804-N806 VanDerWaalsContact C-N 3.33Å; M804-N806 PolarHBondContact O-N 2.84Å
807A49.3Very low43.7Very low81 Ų81122.1 Ų122.167%0.66968%0.681SS**Hα-helixtrans-67.4-34.1-179.500000113.4Q803 M804Q803-A807 PolarHBondContact O-N 3.44Å; M804-A807 PolarHBondContact O-N 3.43Å
808S49.4Very low43.2Very low107 Ų107130.1 Ų130.175%0.74871%0.707SS**THydrogen-bonded Turntrans-84.7-10.3-177-610000115.5M804M804-S808 PolarHBondContact O-N 2.56Å
809I45.4Very low42.9Very low112 Ų112129.4 Ų129.457%0.57471%0.705SS**THydrogen-bonded Turntrans-97.1-8.9-179.2-67.6-178.6000112.6H805 M811H805-I809 WeakPolarHBondContact CE1-CD1 3.35Å; I809-M811 PolarHBondContact O-N 3.21Å
810G36.2Very low42.4Very low65 Ų65131.2 Ų131.267%0.6772%0.715SS**THydrogen-bonded Turntrans-654.3-174.900000117.8
811M43Very low41.7Very low180 Ų180133.1 Ų133.189%0.88773%0.734SS**THydrogen-bonded Turntrans-105.8-1-173.6-73.1-98.4-76.700115.1I809I809-M811 PolarHBondContact O-N 3.21Å
812I39.1Very low41.1Very low166 Ų166133.7 Ų133.785%0.85174%0.744SS**SBendtrans-130.949.3-179.3-39.5-178.9000112
813A31.3Very low40.2Very low85 Ų85134.7 Ų134.770%0.70276%0.755SS**  trans-102.2132.2165.600000110
814M32.5Very low39.4Very low178 Ų178134 Ų13488%0.87776%0.763SS**  trans171.4142.6147.6-87.5-96.3175.700110.5
815R34.3Very low38.6Very low229 Ų229134.4 Ų134.486%0.86477%0.773SS**  trans70.7104.1172.6-58.2170.4-178.6157.50.5115.2
816N33.6Very low37.6Very low159 Ų159138.6 Ų138.685%0.8578%0.784SS**  cis-159.1154.141.6-80.3-33.5000113.3
817A35.1Very low36.7Very low94 Ų94141 Ų14178%0.77779%0.791SS**  trans-84.7172.5174.700000111.7
818K32.3Very low36.1Very low199 Ų199141.9 Ų141.987%0.86579%0.79SS**  -167.5-171.453.2-131.9-174.3-176.4179.30110.7
819P35.7Very low35.2Very low109 Ų109141.7 Ų141.771%0.70879%0.789SS**  -119.6-175.7-119.843.2-25.3000116
820P35.1Very low34.5Very low124 Ų124140.7 Ų140.781%0.80579%0.791SS**  trans-103.8177.4-16740.5-34.7000116.3
821V35.6Very low34.3Very low143 Ų143147.7 Ų147.787%0.86780%0.799SS**  trans-133.4149.2178.6175.70000110.8
822P37.7Very low33.8Very low123 Ų123144.7 Ų144.780%0.79980%0.796SS**  trans-109.4178.8-158.618.43.6000117.3
823L31.9Very low33.3Very low172 Ų172144.6 Ų144.690%0.90180%0.797SS**  trans-87.3152.9179.4-70.6156000114.1
824P36.7Very low33.1Very low123 Ų123148 Ų14880%0.79980%0.8SS**  trans-117.216816337.2-26.2000114.8
825T33.1Very low33Very low135 Ų135147.1 Ų147.183%0.82879%0.794SS**  trans-130.8142.9-168.249.30000115.6
826R31Very low33Very low210 Ų210143.3 Ų143.379%0.79279%0.789SS**  trans58126.3145-91.1-177.8163.9-165.7-5.8123.3
827H32.7Very low33Very low167 Ų167145.1 Ų145.177%0.77379%0.79SS**  trans77.2158.7139.1-63.2-42000120.5
828P35.9Very low32.8Very low100 Ų100144.1 Ų144.165%0.64979%0.789SS**  cis-140.9-179.2-4940.7-23.8000115
829S31.9Very low32.8Very low103 Ų103142.8 Ų142.872%0.7279%0.791SS**  trans66.7110.7149.263.60000122.1
830S29.9Very low32.5Very low91 Ų91142.9 Ų142.964%0.63680%0.795SS**  130.3142.410267.80000119.8
831Y32.1Very low32.2Very low211 Ų211143.8 Ų143.883%0.82780%0.798SS**  trans81.8135.4159.1-55.5-65.3000123.6
832S31.8Very low32Very low118 Ų118141.3 Ų141.383%0.82579%0.787SS**  trans70.4122.3159.548.90000120.9
833N28.3Very low31.7Very low163 Ų163144.2 Ų144.287%0.87279%0.794SS**  trans-96.5137.4166.9-59.8-34.6000109.9
834M28.9Very low31.6Very low157 Ų157139.5 Ų139.577%0.77378%0.775SS**  trans-172.8138.4141.3-110.4175.491.800110.4
835E29Very low31.3Very low159 Ų159136.6 Ų136.674%0.74377%0.768SS**  trans65.6152.4163-54.1173.2173.900114.3
836I35.2Very low31.3Very low149 Ų149138.8 Ų138.876%0.76477%0.769SS**  cis-143.1152.930.8-69.1168.2000110
837F33.7Very low32.1Very low198 Ų198138.8 Ų138.887%0.86877%0.77SS**  trans-21.4147.2155.9-60.4-108.5000115.9
838G30.5Very low33.3Very low73 Ų73135.8 Ų135.875%0.75377%0.768SS**  cis138.5107.96.100000110
839D31.7Very low35.2Very low170 Ų170136.7 Ų136.791%0.90976%0.762SS**  trans-152.6143.5150.1-140.7-16.6000109.7
840S29.4Very low37.7Very low112 Ų112135.2 Ų135.278%0.78375%0.746SS**  trans-110.6118.8-162.8-61.20000112.6
841T30.3Very low40.5Very low143 Ų143136.7 Ų136.788%0.87774%0.738SS**  trans-112112.6151.148.40000108.7
842S30.1Very low43.3Very low91 Ų91126.7 Ų126.764%0.63670%0.699SS**  trans-55.7142.2-175.941.20000112.8S844S842-S844 WeakPolarHBondContact CB-OG 3.17Å; S842-S844 PolarHBondContact O-N 3.3Å; S842-S844 PolarHBondContact OG-OG 3.33Å
843I31.1Very low45.9Very low184 Ų184123.5 Ų123.594%0.94467%0.671SS**SBendtrans-7081157.9-63.2175.7000106.9
844S30.4Very low48.8Very low72 Ų72116.8 Ų116.850%0.50364%0.635SS.*  trans-137.188.7169.251.40000104.6S842 E846S842-S844 WeakPolarHBondContact CB-OG 3.17Å; S842-S844 PolarHBondContact O-N 3.3Å; S842-S844 PolarHBondContact OG-OG 3.33Å; S844-E846 VanDerWaalsContact C-N 3.28Å; S844-E846 PolarHBondContact O-N 3Å
845G30.7Very low51.6Low63 Ų63109.7 Ų109.765%0.64960%0.601SS**  trans-66.790.8178.200000109.2Y847G845-Y847 VanDerWaalsContact C-N 3.27Å; G845-Y847 WeakPolarHBondContact O-CD2 3.42Å; G845-Y847 PolarHBondContact O-N 3.35Å
846E33.9Very low54.3Low180 Ų180110.2 Ų110.284%0.84160%0.596SS**  trans-62.994.7167.8-78.7-170137.300107.9S844 S848S844-E846 VanDerWaalsContact C-N 3.28Å; S844-E846 PolarHBondContact O-N 3Å; E846-S848 PolarHBondContact O-N 3.47Å
847Y47.1Very low56.9Low210 Ų210107.6 Ų107.682%0.82458%0.576SS**  trans-61.893.3166.1-70.3-87.1000107.2G845 K849G845-Y847 VanDerWaalsContact C-N 3.27Å; G845-Y847 WeakPolarHBondContact O-CD2 3.42Å; G845-Y847 PolarHBondContact O-N 3.35Å; Y847-K849 PolarHBondContact O-N 3.34Å
848S58.3Low59.5Low104 Ų104100.5 Ų100.573%0.72755%0.546SS*.  trans-54.1113.1176-45.40000108E846 L850E846-S848 PolarHBondContact O-N 3.47Å; S848-L850 PolarHBondContact O-N 3.28Å
849K75.3Confident62.1Low119 Ų11997.5 Ų97.552%0.51751%0.513SS..  trans-57.9112.8-173.9-64.4-167.7161.6-141.50109.2Y847 Y851 E858Y847-K849 PolarHBondContact O-N 3.34Å; K849-Y851 HydrophobicContact CB-CE2 3.7Å; K849-Y851 VanDerWaalsContact O-CD2 3.28Å; K849-Y851 WeakPolarHBondContact O-CD2 3.34Å; K849-Y851 VanDerWaalsContact O-CE2 3.27Å; K849-Y851 WeakPolarHBondContact O-CE2 3.41Å; K849-E858 HydrophobicContact CB-CG 4.42Å; K849-E858 VanDerWaalsContact CD-OE1 3.31Å; K849-E858 WeakPolarHBondContact CD-OE1 3.24Å; K849-E858 WeakPolarHBondContact CD-OE2 3.37Å; K849-E858 WeakPolarHBondContact CE-OE1 3.49Å; K849-E858 WeakPolarHBondContact CE-OE2 3.49Å; K849-E858 VanDerWaalsContact CG-OE1 3.32Å; K849-E858 WeakPolarHBondContact CG-OE1 3.39Å; K849-E858 VanDerWaalsContact NZ-CD 3.33Å; K849-E858 IonicContact NZ-OE1 2.96Å; K849-E858 PolarHBondContact NZ-OE1 3.3Å; K849-E858 IonicContact NZ-OE2 3.22Å; K849-E858 PolarHBondContact NZ-OE2 3.04Å
850L83.8Confident64.6Low73 Ų7395.8 Ų95.838%0.38249%0.494SS..  trans-88.2130.4174.4-75.2169.5000108.2S848 E858 V859S848-L850 PolarHBondContact O-N 3.28Å; L850-E858 CarbonylContact O-C 3.41Å; L850-E858 WeakPolarHBondContact O-CA 3.45Å; L850-V859 PolarHBondContact O-N 2.84Å
851Y89.3Confident67Low122 Ų12296.9 Ų96.948%0.47849%0.491SS..BIsolated β-bridgetrans-104.7153.3178.7-62.9-92.1000110.4K849 R856 R857 E858 S871K849-Y851 HydrophobicContact CB-CE2 3.7Å; K849-Y851 VanDerWaalsContact O-CD2 3.28Å; K849-Y851 WeakPolarHBondContact O-CD2 3.34Å; K849-Y851 VanDerWaalsContact O-CE2 3.27Å; K849-Y851 WeakPolarHBondContact O-CE2 3.41Å; Y851-R856 VanDerWaalsContact CD1-O 3.29Å; Y851-R856 WeakPolarHBondContact CD1-O 3.31Å; Y851-R857 CarbonylContact C-O 3.49Å; Y851-R857 VanDerWaalsContact CA-O 3.26Å; Y851-R857 WeakPolarHBondContact CA-O 3.2Å; Y851-E858 HydrophobicContact CD1-CB 4.48Å; Y851-E858 HydrophobicContact CE1-CB 4.32Å; Y851-S871 PolarHBondContact O-OG 2.94Å
852C90.6Very high69.3Low1 Ų194.7 Ų94.71%0.00749%0.487CS..  trans-72.4130.5175.2178.80000109.2L854 C855 R856 R857 V859 S871 C872 H873C852-L854 PolarHBondContact O-N 3.04Å; C852-L854 PolarHBondContact SG-N 2.99Å; C852-C855 HydrophobicContact CB-CB 4.16Å; C852-C855 VanDerWaalsContact CB-SG 3.5Å; C852-C855 PolarHBondContact SG-N 3.27Å; C852-R856 WeakPolarHBondContact O-CA 3.27Å; C852-R856 PolarHBondContact O-N 3.25Å; C852-R857 PolarHBondContact N-O 2.64Å; C852-V859 HydrophobicContact CB-CG2 3.53Å; C852-V859 VanDerWaalsContact N-CG2 3.28Å; C852-S871 CarbonylContact C-O 3.56Å; C852-S871 WeakPolarHBondContact CA-O 3.33Å; C852-C872 VanDerWaalsContact SG-CA 3.55Å; C852-H873 VanDerWaalsContact CB-ND1 3.3Å; C852-H873 WeakPolarHBondContact CB-ND1 3.27Å
853H87.4Confident71.8Confident51 Ų5194.2 Ų94.224%0.23648%0.475CS..THydrogen-bonded Turntrans-58.4-37.7177.6-171.968.8000113.1R856 V870 S871 K901H853-R856 PolarHBondContact O-NE 3.31Å; H853-V870 HydrophobicContact CB-CB 3.91Å; H853-V870 HydrophobicContact CB-CG1 4.24Å; H853-V870 HydrophobicContact CB-CG2 4.3Å; H853-S871 PolarHBondContact N-O 3.1Å; H853-K901 PolarHBondContact CD2-O 2.88Å
854L88.5Confident74.5Confident22 Ų2289.7 Ų89.712%0.11545%0.446CS..THydrogen-bonded Turntrans-82.4-60.3-178.7-55169.2000110.4C852 C876 L902 F903 T929C852-L854 PolarHBondContact O-N 3.04Å; C852-L854 PolarHBondContact SG-N 2.99Å; L854-C876 HydrophobicContact CB-CB 4.48Å; L854-C876 HydrophobicContact CD1-CB 4.31Å; L854-C876 WeakPolarHBondContact CD1-O 3.36Å; L854-L902 HydrophobicContact CD2-CD2 4.12Å; L854-F903 HydrophobicContact CD1-CD2 4.08Å; L854-F903 HydrophobicContact CD1-CE2 4.32Å; L854-F903 HydrophobicContact CD2-CD2 4.16Å; L854-F903 HydrophobicContact CD2-CE2 4.28Å; L854-F903 HydrophobicContact CG-CE2 4.49Å; L854-T929 WeakPolarHBondContact O-CG2 3.25Å
855C87.7Confident77.2Confident8 Ų887.4 Ų87.45%0.05443%0.428CS..THydrogen-bonded Turntrans-87.5-9.6-169.8102.70000115.5C852 R857 H873 C876 A930C852-C855 HydrophobicContact CB-CB 4.16Å; C852-C855 VanDerWaalsContact CB-SG 3.5Å; C852-C855 PolarHBondContact SG-N 3.27Å; C855-R857 PolarHBondContact O-N 3.49Å; C855-R857 PolarHBondContact SG-N 3.44Å; C855-H873 PolarHBondContact SG-CE1 3.18Å; C855-H873 PolarHBondContact SG-ND1 3.14Å; C855-C876 VanDerWaalsContact CB-SG 3.54Å; C855-A930 HydrophobicContact CB-CB 3.56Å
856R86.3Confident79.9Confident170 Ų17089.1 Ų89.164%0.64242%0.422SS*.  trans61.25.9178.8-55.8-60.6178.4129.73.6117.2Y851 C852 H853Y851-R856 VanDerWaalsContact CD1-O 3.29Å; Y851-R856 WeakPolarHBondContact CD1-O 3.31Å; C852-R856 WeakPolarHBondContact O-CA 3.27Å; C852-R856 PolarHBondContact O-N 3.25Å; H853-R856 PolarHBondContact O-NE 3.31Å
857R88Confident82.4Confident93 Ų9380.6 Ų80.635%0.35138%0.382SS..SBendtrans-93.1163174.2-53.3167.8-166.5-153.9-9.5112.3Y851 C852 C855 A930 D931Y851-R857 CarbonylContact C-O 3.49Å; Y851-R857 VanDerWaalsContact CA-O 3.26Å; Y851-R857 WeakPolarHBondContact CA-O 3.2Å; C852-R857 PolarHBondContact N-O 2.64Å; C855-R857 PolarHBondContact O-N 3.49Å; C855-R857 PolarHBondContact SG-N 3.44Å; R857-A930 PolarHBondContact NH2-O 3.07Å; R857-D931 IonicContact CZ-OD1 2.68Å; R857-D931 IonicContact CZ-OD2 3.93Å; R857-D931 IonicContact NH1-OD1 3.74Å; R857-D931 PolarHBondContact NH1-OD1 2.74Å; R857-D931 IonicContact NH1-OD2 3.89Å; R857-D931 PolarHBondContact NH1-OD2 2.87Å; R857-D931 IonicContact NH2-OD1 2.69Å; R857-D931 IonicContact NH2-OD2 3.07Å; R857-D931 PolarHBondContact NH2-OD2 3.36Å
858E89.4Confident84Confident50 Ų5075 Ų7523%0.23436%0.363CS..BIsolated β-bridgetrans-60.7132.9178.5-169.3166.8-179.400111.4K849 L850 Y851 H873K849-E858 HydrophobicContact CB-CG 4.42Å; K849-E858 VanDerWaalsContact CD-OE1 3.31Å; K849-E858 WeakPolarHBondContact CD-OE1 3.24Å; K849-E858 WeakPolarHBondContact CD-OE2 3.37Å; K849-E858 WeakPolarHBondContact CE-OE1 3.49Å; K849-E858 WeakPolarHBondContact CE-OE2 3.49Å; K849-E858 VanDerWaalsContact CG-OE1 3.32Å; K849-E858 WeakPolarHBondContact CG-OE1 3.39Å; K849-E858 VanDerWaalsContact NZ-CD 3.33Å; K849-E858 IonicContact NZ-OE1 2.96Å; K849-E858 PolarHBondContact NZ-OE1 3.3Å; K849-E858 IonicContact NZ-OE2 3.22Å; K849-E858 PolarHBondContact NZ-OE2 3.04Å; L850-E858 CarbonylContact O-C 3.41Å; L850-E858 WeakPolarHBondContact O-CA 3.45Å; Y851-E858 HydrophobicContact CD1-CB 4.48Å; Y851-E858 HydrophobicContact CE1-CB 4.32Å; E858-H873 PolarHBondContact O-CE1 3.22Å; E858-H873 PolarHBondContact O-NE2 2.85Å
859V85.8Confident85.1Confident9 Ų978.4 Ų78.46%0.05537%0.374CS..  trans-110.3105.2-178.2-176.60000108.6L850 C852 E863 R864L850-V859 PolarHBondContact O-N 2.84Å; C852-V859 HydrophobicContact CB-CG2 3.53Å; C852-V859 VanDerWaalsContact N-CG2 3.28Å; V859-E863 HydrophobicContact CG1-CB 4.47Å; V859-R864 VanDerWaalsContact CG1-CA 3.44Å; V859-R864 HydrophobicContact CG1-CB 3.56Å; V859-R864 HydrophobicContact CG1-CG 3.83Å
860Y83.8Confident85.6Confident134 Ų13474.3 Ų74.353%0.52536%0.359SS..  trans-68.5155.2174.9-63.1-74.2000111.5A862 E863 R864Y860-A862 PolarHBondContact O-N 3.47Å; Y860-E863 PolarHBondContact O-N 3.5Å; Y860-R864 PolarHBondContact O-N 2.88Å; Y860-R864 VanDerWaalsContact O-N 3.14Å
861L79.4Confident85.9Confident135 Ų13571.7 Ų71.771%0.70735%0.346SS*.THydrogen-bonded Turntrans-58.5-26.4-171.8-147.487.6000113.7
862A78.4Confident85.9Confident97 Ų9765.9 Ų65.980%0.80232%0.324SS*.THydrogen-bonded Turntrans-77.1-30.3178.200000113.6Y860Y860-A862 PolarHBondContact O-N 3.47Å
863E82.8Confident85.9Confident81 Ų8166.9 Ų66.938%0.37933%0.328SS..THydrogen-bonded Turntrans-92.9-15.7-177.6-66.1155.7-149.200112.1V859 Y860 I865 H873 R874V859-E863 HydrophobicContact CG1-CB 4.47Å; Y860-E863 PolarHBondContact O-N 3.5Å; E863-I865 PolarHBondContact O-N 3.01Å; E863-H873 CarbonylContact O-C 3.51Å; E863-H873 WeakPolarHBondContact O-CA 3.36Å; E863-H873 IonicContact OE2-CD2 3.16Å; E863-H873 PolarHBondContact OE2-CD2 2.93Å; E863-H873 IonicContact OE2-NE2 2.69Å; E863-H873 PolarHBondContact OE2-NE2 2.7Å; E863-R874 PolarHBondContact O-N 3.22Å
864R86.9Confident85.8Confident90 Ų9069.6 Ų69.634%0.3434%0.336SS..EExtended strand (participates in β ladder)trans-70.5124.6-171.1-165.4177.263178.4-1.6113.8V859 Y860 N866V859-R864 VanDerWaalsContact CG1-CA 3.44Å; V859-R864 HydrophobicContact CG1-CB 3.56Å; V859-R864 HydrophobicContact CG1-CG 3.83Å; Y860-R864 PolarHBondContact O-N 2.88Å; Y860-R864 VanDerWaalsContact O-N 3.14Å; R864-N866 WeakPolarHBondContact CD-OD1 3.42Å; R864-N866 WeakPolarHBondContact CG-OD1 3.37Å
865I88Confident85.8Confident23 Ų2373.9 Ų73.912%0.11836%0.359CS..EExtended strand (participates in β ladder)trans-111.9132.8159.2179.3174.4000108.9E863 I867 C872 F877 L888E863-I865 PolarHBondContact O-N 3.01Å; I865-I867 HydrophobicContact CB-CD1 4.26Å; I865-I867 HydrophobicContact CD1-CD1 3.93Å; I865-I867 HydrophobicContact CD1-CG1 3.99Å; I865-I867 HydrophobicContact CG1-CD1 3.72Å; I865-I867 HydrophobicContact CG1-CG1 3.87Å; I865-I867 HydrophobicContact CG2-CD1 3.77Å; I865-C872 HydrophobicContact CG2-CB 4.05Å; I865-C872 VanDerWaalsContact CG2-O 3.26Å; I865-C872 WeakPolarHBondContact CG2-O 3.33Å; I865-C872 PolarHBondContact N-O 3.47Å; I865-C872 PolarHBondContact O-N 3.48Å; I865-F877 HydrophobicContact CD1-CD1 3.63Å; I865-F877 HydrophobicContact CD1-CE1 3.99Å; I865-F877 HydrophobicContact CD1-CG 4.26Å; I865-F877 HydrophobicContact CG2-CB 4.22Å; I865-L888 HydrophobicContact CD1-CD1 4.32Å; I865-L888 HydrophobicContact CD1-CD2 3.84Å; I865-L888 HydrophobicContact CD1-CG 3.92Å; I865-L888 HydrophobicContact CG1-CD2 4.2Å
866N88.4Confident86Confident99 Ų9974.9 Ų74.953%0.52937%0.366SS..EExtended strand (participates in β ladder)trans-101.7118.4174.4-71.5-10.5000108.9R864 V870R864-N866 WeakPolarHBondContact CD-OD1 3.42Å; R864-N866 WeakPolarHBondContact CG-OD1 3.37Å; N866-V870 WeakPolarHBondContact CA-O 3.32Å
867I84.6Confident86.3Confident2 Ų266.9 Ų66.91%0.0134%0.336CS..EExtended strand (participates in β ladder)trans-123.5123.5179.7-56.2113.7000107.7I865 N869 V870 C872 F877 L888 Y891 F903I865-I867 HydrophobicContact CB-CD1 4.26Å; I865-I867 HydrophobicContact CD1-CD1 3.93Å; I865-I867 HydrophobicContact CD1-CG1 3.99Å; I865-I867 HydrophobicContact CG1-CD1 3.72Å; I865-I867 HydrophobicContact CG1-CG1 3.87Å; I865-I867 HydrophobicContact CG2-CD1 3.77Å; I867-N869 VanDerWaalsContact C-N 3.27Å; I867-N869 PolarHBondContact O-N 3.36Å; I867-V870 PolarHBondContact N-O 3.3Å; I867-V870 WeakPolarHBondContact O-CG2 3.4Å; I867-V870 PolarHBondContact O-N 3.11Å; I867-C872 HydrophobicContact CD1-CB 4.05Å; I867-F877 HydrophobicContact CB-CE2 4.4Å; I867-F877 HydrophobicContact CD1-CB 4.26Å; I867-F877 HydrophobicContact CD1-CD1 4.26Å; I867-F877 HydrophobicContact CD1-CD2 3.47Å; I867-F877 VanDerWaalsContact CD1-CD2 3.47Å; I867-F877 HydrophobicContact CD1-CE1 4.49Å; I867-F877 HydrophobicContact CD1-CE2 3.77Å; I867-F877 HydrophobicContact CD1-CG 3.75Å; I867-F877 HydrophobicContact CD1-CZ 4.26Å; I867-F877 HydrophobicContact CG1-CD2 3.99Å; I867-F877 HydrophobicContact CG1-CE1 4.26Å; I867-F877 HydrophobicContact CG1-CE2 3.73Å; I867-F877 HydrophobicContact CG1-CG 4.37Å; I867-F877 HydrophobicContact CG1-CZ 3.87Å; I867-F877 HydrophobicContact CG2-CE2 4Å; I867-F877 HydrophobicContact CG2-CZ 4.22Å; I867-L888 HydrophobicContact CG1-CD2 4.04Å; I867-Y891 HydrophobicContact CG2-CD2 4.42Å; I867-Y891 HydrophobicContact CG2-CE1 4.37Å; I867-Y891 HydrophobicContact CG2-CE2 3.46Å; I867-Y891 VanDerWaalsContact CG2-CE2 3.46Å; I867-Y891 VanDerWaalsContact CG2-CZ 3.46Å; I867-Y891 VanDerWaalsContact CG2-OH 3.31Å; I867-Y891 WeakPolarHBondContact CG2-OH 3.21Å; I867-F903 HydrophobicContact CB-CE1 4.25Å; I867-F903 HydrophobicContact CB-CZ 4.07Å; I867-F903 HydrophobicContact CG2-CD1 4.19Å; I867-F903 HydrophobicContact CG2-CE1 3.45Å; I867-F903 VanDerWaalsContact CG2-CE1 3.45Å; I867-F903 HydrophobicContact CG2-CZ 3.79Å
868E81.7Confident86.5Confident91 Ų9166.6 Ų66.643%0.42534%0.335SS..THydrogen-bonded Turntrans4448.6172.8-57.8-176.6134.900114.6V870 Y891 S893 K901E868-V870 VanDerWaalsContact C-N 3.3Å; E868-V870 PolarHBondContact O-N 2.88Å; E868-Y891 HydrophobicContact CG-CE2 4.5Å; E868-Y891 WeakPolarHBondContact CG-OH 3.45Å; E868-S893 WeakPolarHBondContact OE2-CB 3.38Å; E868-S893 PolarHBondContact OE2-OG 2.88Å; E868-K901 VanDerWaalsContact CB-NZ 3.29Å; E868-K901 WeakPolarHBondContact OE2-CE 3.49Å; E868-K901 IonicContact OE2-NZ 2.64Å; E868-K901 PolarHBondContact OE2-NZ 3.31Å
869N82Confident86.7Confident177 Ų17764.2 Ų64.295%0.94732%0.324SS*.THydrogen-bonded Turntrans66.59.4-177-58.7-21.5000117.4I867I867-N869 VanDerWaalsContact C-N 3.27Å; I867-N869 PolarHBondContact O-N 3.36Å
870V85.9Confident86.9Confident32 Ų3264.7 Ų64.719%0.19433%0.329CS..EExtended strand (participates in β ladder)trans-111.3139.7169.3-74.10000112.3H853 N866 I867 E868 F903H853-V870 HydrophobicContact CB-CB 3.91Å; H853-V870 HydrophobicContact CB-CG1 4.24Å; H853-V870 HydrophobicContact CB-CG2 4.3Å; N866-V870 WeakPolarHBondContact CA-O 3.32Å; I867-V870 PolarHBondContact N-O 3.3Å; I867-V870 WeakPolarHBondContact O-CG2 3.4Å; I867-V870 PolarHBondContact O-N 3.11Å; E868-V870 VanDerWaalsContact C-N 3.3Å; E868-V870 PolarHBondContact O-N 2.88Å; V870-F903 HydrophobicContact CG2-CZ 3.85Å
871S88.4Confident87.2Confident18 Ų1860.2 Ų60.213%0.12631%0.312CS..EExtended strand (participates in β ladder)trans-85.9133.7172.843.70000111.2Y851 C852 H853Y851-S871 PolarHBondContact O-OG 2.94Å; C852-S871 CarbonylContact C-O 3.56Å; C852-S871 WeakPolarHBondContact CA-O 3.33Å; H853-S871 PolarHBondContact N-O 3.1Å
872C90Very high87.7Confident0 Ų056.4 Ų56.40%030%0.296CS..EExtended strand (participates in β ladder)trans-133.3159.7172.3-57.60000110.8C852 I865 I867C852-C872 VanDerWaalsContact SG-CA 3.55Å; I865-C872 HydrophobicContact CG2-CB 4.05Å; I865-C872 VanDerWaalsContact CG2-O 3.26Å; I865-C872 WeakPolarHBondContact CG2-O 3.33Å; I865-C872 PolarHBondContact N-O 3.47Å; I865-C872 PolarHBondContact O-N 3.48Å; I867-C872 HydrophobicContact CD1-CB 4.05Å
873H90.4Very high88.2Confident23 Ų2354.9 Ų54.911%0.10627%0.274CS..EExtended strand (participates in β ladder)trans-68.5145.5161-59.595000110C852 C855 E858 E863 D875 C876 F877C852-H873 VanDerWaalsContact CB-ND1 3.3Å; C852-H873 WeakPolarHBondContact CB-ND1 3.27Å; C855-H873 PolarHBondContact SG-CE1 3.18Å; C855-H873 PolarHBondContact SG-ND1 3.14Å; E858-H873 PolarHBondContact O-CE1 3.22Å; E858-H873 PolarHBondContact O-NE2 2.85Å; E863-H873 CarbonylContact O-C 3.51Å; E863-H873 WeakPolarHBondContact O-CA 3.36Å; E863-H873 IonicContact OE2-CD2 3.16Å; E863-H873 PolarHBondContact OE2-CD2 2.93Å; E863-H873 IonicContact OE2-NE2 2.69Å; E863-H873 PolarHBondContact OE2-NE2 2.7Å; H873-D875 PolarHBondContact O-N 3.14Å; H873-C876 HydrophobicContact CB-CB 4.04Å; H873-C876 PolarHBondContact O-N 2.65Å; H873-F877 PolarHBondContact O-N 2.9Å
874R86.4Confident88.5Confident108 Ų10853.6 Ų53.641%0.40827%0.273SS..THydrogen-bonded Turntrans-51.7-40.4175.5-118-177.3-177.7178.24.7111.9E722 E863E722-R874 IonicContact OE1-NH2 2.99Å; E722-R874 IonicContact OE2-CZ 2.67Å; E722-R874 IonicContact OE2-NH1 2.88Å; E722-R874 IonicContact OE2-NH2 2.83Å; E722-R874 PolarHBondContact OE2-NH2 2.68Å; E863-R874 PolarHBondContact O-N 3.22Å
875D88.2Confident88.6Confident111 Ų11152.9 Ų52.959%0.59428%0.279SS*.THydrogen-bonded Turntrans-83.7-14.7-178.7-59.7-59.1000114.3H873 R878H873-D875 PolarHBondContact O-N 3.14Å; D875-R878 WeakPolarHBondContact O-CD 3.3Å; D875-R878 PolarHBondContact O-NE 3.26Å
876C90.7Very high88.7Confident29 Ų2952.3 Ų52.320%0.19628%0.276CS..THydrogen-bonded Turntrans-84.4-21172-67.90000112.3L854 C855 H873 R878L854-C876 HydrophobicContact CB-CB 4.48Å; L854-C876 HydrophobicContact CD1-CB 4.31Å; L854-C876 WeakPolarHBondContact CD1-O 3.36Å; C855-C876 VanDerWaalsContact CB-SG 3.54Å; H873-C876 HydrophobicContact CB-CB 4.04Å; H873-C876 PolarHBondContact O-N 2.65Å; C876-R878 VanDerWaalsContact C-N 3.26Å; C876-R878 PolarHBondContact O-N 2.89Å
877F92.5Very high88.6Confident2 Ų254.9 Ų54.91%0.00928%0.278CS..  trans-71.781.1179.6-175.5-130.4000111.2I865 I867 H873 L886 Y891 F903I865-F877 HydrophobicContact CD1-CD1 3.63Å; I865-F877 HydrophobicContact CD1-CE1 3.99Å; I865-F877 HydrophobicContact CD1-CG 4.26Å; I865-F877 HydrophobicContact CG2-CB 4.22Å; I867-F877 HydrophobicContact CB-CE2 4.4Å; I867-F877 HydrophobicContact CD1-CB 4.26Å; I867-F877 HydrophobicContact CD1-CD1 4.26Å; I867-F877 HydrophobicContact CD1-CD2 3.47Å; I867-F877 VanDerWaalsContact CD1-CD2 3.47Å; I867-F877 HydrophobicContact CD1-CE1 4.49Å; I867-F877 HydrophobicContact CD1-CE2 3.77Å; I867-F877 HydrophobicContact CD1-CG 3.75Å; I867-F877 HydrophobicContact CD1-CZ 4.26Å; I867-F877 HydrophobicContact CG1-CD2 3.99Å; I867-F877 HydrophobicContact CG1-CE1 4.26Å; I867-F877 HydrophobicContact CG1-CE2 3.73Å; I867-F877 HydrophobicContact CG1-CG 4.37Å; I867-F877 HydrophobicContact CG1-CZ 3.87Å; I867-F877 HydrophobicContact CG2-CE2 4Å; I867-F877 HydrophobicContact CG2-CZ 4.22Å; H873-F877 PolarHBondContact O-N 2.9Å; F877-L886 HydrophobicContact CD1-CB 3.63Å; F877-L886 VanDerWaalsContact CD1-O 3.32Å; F877-L886 WeakPolarHBondContact CD1-O 3.39Å; F877-L886 HydrophobicContact CD2-CB 4.24Å; F877-L886 HydrophobicContact CD2-CD1 4.16Å; F877-L886 HydrophobicContact CE1-CB 3.42Å; F877-L886 VanDerWaalsContact CE1-CB 3.42Å; F877-L886 HydrophobicContact CE2-CB 4.04Å; F877-L886 HydrophobicContact CE2-CD1 3.87Å; F877-L886 HydrophobicContact CG-CB 4.05Å; F877-L886 HydrophobicContact CZ-CB 3.64Å; F877-L886 HydrophobicContact CZ-CD1 4.18Å; F877-L886 PolarHBondContact O-N 3.35Å; F877-Y891 HydrophobicContact CE2-CD2 4.07Å; F877-Y891 HydrophobicContact CE2-CE2 4.44Å; F877-Y891 HydrophobicContact CE2-CG 4.22Å; F877-Y891 AromaticContact CZ-CD1 3.73Å; F877-Y891 HydrophobicContact CZ-CD1 3.73Å; F877-Y891 AromaticContact CZ-CD2 3.89Å; F877-Y891 HydrophobicContact CZ-CD2 3.89Å; F877-Y891 HydrophobicContact CZ-CE1 4.13Å; F877-Y891 HydrophobicContact CZ-CE2 4.28Å; F877-Y891 AromaticContact CZ-CG 3.62Å; F877-Y891 HydrophobicContact CZ-CG 3.62Å; F877-F903 HydrophobicContact CD2-CB 4.4Å; F877-F903 AromaticContact CD2-CD2 3.95Å; F877-F903 HydrophobicContact CD2-CD2 3.95Å; F877-F903 HydrophobicContact CD2-CE2 4.37Å; F877-F903 HydrophobicContact CD2-CG 4.1Å; F877-F903 HydrophobicContact CE2-CB 4.02Å; F877-F903 AromaticContact CE2-CD1 3.92Å; F877-F903 HydrophobicContact CE2-CD1 3.92Å; F877-F903 HydrophobicContact CE2-CD2 4Å; F877-F903 HydrophobicContact CE2-CE1 4.37Å; F877-F903 HydrophobicContact CE2-CE2 4.44Å; F877-F903 AromaticContact CE2-CG 3.71Å; F877-F903 HydrophobicContact CE2-CG 3.71Å
878R93.2Very high88.6Confident88 Ų8859.2 Ų59.233%0.33230%0.301SS..BIsolated β-bridgetrans-127.7156.7-173.7-65.7-179179.2-110.53111.9D875 C876 A880 N883 C884 V885 L886D875-R878 WeakPolarHBondContact O-CD 3.3Å; D875-R878 PolarHBondContact O-NE 3.26Å; C876-R878 VanDerWaalsContact C-N 3.26Å; C876-R878 PolarHBondContact O-N 2.89Å; R878-A880 PolarHBondContact O-N 3.47Å; R878-N883 WeakPolarHBondContact CD-O 3.41Å; R878-N883 WeakPolarHBondContact CD-OD1 3.3Å; R878-N883 PolarHBondContact NH1-O 3.32Å; R878-C884 CarbonylContact C-O 3.53Å; R878-C884 WeakPolarHBondContact CA-O 3.24Å; R878-V885 HydrophobicContact CG-CG2 4.14Å; R878-L886 VanDerWaalsContact C-CD1 3.45Å; R878-L886 WeakPolarHBondContact O-CD1 3.4Å
879C92.9Very high88.5Confident0 Ų062.5 Ų62.50%032%0.322CS..  trans-70.1114.2173.4-179.30000109.9F881 C882 N883 C884 L886 F903 C905C879-F881 PolarHBondContact O-N 3.46Å; C879-C882 PolarHBondContact O-N 2.82Å; C879-C882 VanDerWaalsContact O-N 3.16Å; C879-N883 VanDerWaalsContact O-CA 3.28Å; C879-N883 WeakPolarHBondContact O-CA 3.47Å; C879-N883 PolarHBondContact O-N 3.1Å; C879-C884 PolarHBondContact N-O 2.6Å; C879-L886 HydrophobicContact CB-CD2 3.98Å; C879-L886 HydrophobicContact CB-CG 4.37Å; C879-F903 CarbonylContact C-O 3.09Å; C879-F903 WeakPolarHBondContact CA-O 3.37Å; C879-C905 HydrophobicContact CB-CB 4.21Å; C879-C905 PolarHBondContact SG-N 3.45Å
880A89.6Confident88.5Confident19 Ų1955.2 Ų55.216%0.15729%0.289CS..THydrogen-bonded Turntrans-60.7-13.3-178.700000114.5R878 L902 F903 F904 I920 L923R878-A880 PolarHBondContact O-N 3.47Å; A880-L902 HydrophobicContact CB-CB 4.04Å; A880-L902 HydrophobicContact CB-CD1 4.04Å; A880-L902 HydrophobicContact CB-CD2 4.41Å; A880-L902 HydrophobicContact CB-CG 4.4Å; A880-F903 PolarHBondContact N-O 3.02Å; A880-F904 HydrophobicContact CB-CD1 4.47Å; A880-F904 HydrophobicContact CB-CE1 3.91Å; A880-F904 HydrophobicContact CB-CZ 4.02Å; A880-I920 HydrophobicContact CB-CG1 4.44Å; A880-L923 WeakPolarHBondContact O-CD1 3.49Å
881F90.2Very high88.8Confident40 Ų4056 Ų5618%0.17529%0.288CS..THydrogen-bonded Turntrans-92.3-33.9177.3-164.4-82.2000114C879 F904 H908 C911 D915 K916 R919C879-F881 PolarHBondContact O-N 3.46Å; F881-F904 HydrophobicContact CB-CD1 4.06Å; F881-F904 HydrophobicContact CB-CE1 4.25Å; F881-H908 HydrophobicContact CB-CB 3.67Å; F881-H908 HydrophobicContact CD1-CB 4.17Å; F881-H908 AromaticContact CD1-CD2 3.48Å; F881-H908 VanDerWaalsContact CD1-CD2 3.48Å; F881-H908 WeakPolarHBondContact CD1-CD2 3.31Å; F881-H908 AromaticContact CD1-CE1 3.78Å; F881-H908 AromaticContact CD1-CG 3.49Å; F881-H908 VanDerWaalsContact CD1-CG 3.49Å; F881-H908 AromaticContact CD1-ND1 3.66Å; F881-H908 AromaticContact CD1-NE2 3.7Å; F881-H908 HydrophobicContact CD2-CB 4.49Å; F881-H908 AromaticContact CE1-CD2 3.81Å; F881-H908 AromaticContact CE1-NE2 3.98Å; F881-H908 HydrophobicContact CG-CB 3.87Å; F881-H908 AromaticContact CG-CG 3.71Å; F881-C911 HydrophobicContact CE2-CB 4.27Å; F881-D915 HydrophobicContact CE2-CB 4.06Å; F881-D915 WeakPolarHBondContact CE2-O 3.49Å; F881-K916 HydrophobicContact CD2-CG 4.25Å; F881-R919 HydrophobicContact CD1-CG 4.15Å; F881-R919 HydrophobicContact CD2-CB 3.82Å; F881-R919 HydrophobicContact CD2-CG 4.02Å; F881-R919 HydrophobicContact CE1-CG 4.26Å; F881-R919 HydrophobicContact CE2-CB 3.74Å; F881-R919 HydrophobicContact CE2-CG 4.14Å; F881-R919 HydrophobicContact CG-CB 4.35Å; F881-R919 HydrophobicContact CG-CG 4.03Å; F881-R919 HydrophobicContact CZ-CB 4.2Å; F881-R919 HydrophobicContact CZ-CG 4.25Å; F881-R919 WeakPolarHBondContact O-CG 3.35Å; F881-R919 PolarHBondContact O-NE 3.45Å
882C90.8Very high88.8Confident54 Ų5455.6 Ų55.637%0.36529%0.287SS..THydrogen-bonded Turntrans-135.510.9-172.472.50000114.9C879 C884 H908C879-C882 PolarHBondContact O-N 2.82Å; C879-C882 VanDerWaalsContact O-N 3.16Å; C882-C884 PolarHBondContact O-N 3.34Å; C882-C884 PolarHBondContact SG-SG 3.14Å; C882-H908 VanDerWaalsContact CB-CE1 3.46Å; C882-H908 WeakPolarHBondContact CB-CE1 3.4Å; C882-H908 PolarHBondContact SG-CE1 3.32Å; C882-H908 PolarHBondContact SG-ND1 3.49Å
883N88.6Confident88.9Confident65 Ų6557.1 Ų57.135%0.34830%0.298SS..  trans52.218.4176.2-139.2-5.4000116.7R878 C879R878-N883 WeakPolarHBondContact CD-O 3.41Å; R878-N883 WeakPolarHBondContact CD-OD1 3.3Å; R878-N883 PolarHBondContact NH1-O 3.32Å; C879-N883 VanDerWaalsContact O-CA 3.28Å; C879-N883 WeakPolarHBondContact O-CA 3.47Å; C879-N883 PolarHBondContact O-N 3.1Å
884C88.8Confident88.8Confident54 Ų5458.7 Ų58.737%0.36531%0.307SS..PPolyproline II helixtrans-78140.2176.973.40000111R878 C879 C882 L886R878-C884 CarbonylContact C-O 3.53Å; R878-C884 WeakPolarHBondContact CA-O 3.24Å; C879-C884 PolarHBondContact N-O 2.6Å; C882-C884 PolarHBondContact O-N 3.34Å; C882-C884 PolarHBondContact SG-SG 3.14Å; C884-L886 PolarHBondContact O-N 3.04Å
885V89.5Confident88.9Confident76 Ų7661.5 Ų61.546%0.46132%0.319SS..BIsolated β-bridgetrans-66.2122.8177.6-177.60000109.9R878R878-V885 HydrophobicContact CG-CG2 4.14Å
886L90.7Very high88.7Confident11 Ų1156.6 Ų56.66%0.05829%0.293CS..PPolyproline II helixtrans-80.8152.9-177.7-66.4172.2000111.2F877 R878 C879 C884 F903 C905F877-L886 HydrophobicContact CD1-CB 3.63Å; F877-L886 VanDerWaalsContact CD1-O 3.32Å; F877-L886 WeakPolarHBondContact CD1-O 3.39Å; F877-L886 HydrophobicContact CD2-CB 4.24Å; F877-L886 HydrophobicContact CD2-CD1 4.16Å; F877-L886 HydrophobicContact CE1-CB 3.42Å; F877-L886 VanDerWaalsContact CE1-CB 3.42Å; F877-L886 HydrophobicContact CE2-CB 4.04Å; F877-L886 HydrophobicContact CE2-CD1 3.87Å; F877-L886 HydrophobicContact CG-CB 4.05Å; F877-L886 HydrophobicContact CZ-CB 3.64Å; F877-L886 HydrophobicContact CZ-CD1 4.18Å; F877-L886 PolarHBondContact O-N 3.35Å; R878-L886 VanDerWaalsContact C-CD1 3.45Å; R878-L886 WeakPolarHBondContact O-CD1 3.4Å; C879-L886 HydrophobicContact CB-CD2 3.98Å; C879-L886 HydrophobicContact CB-CG 4.37Å; C884-L886 PolarHBondContact O-N 3.04Å; L886-F903 HydrophobicContact CD1-CB 3.39Å; L886-C905 HydrophobicContact CD2-CB 3.62Å
887R85.2Confident88Confident152 Ų15263.8 Ų63.857%0.57432%0.323SS*.  trans-112146.2172.6-61.8-178.8-178.3178.11.3108.3N889 G890 Y891R887-N889 PolarHBondContact O-N 3.24Å; R887-G890 PolarHBondContact O-N 3.03Å; R887-Y891 WeakPolarHBondContact O-CD1 3.42Å
888L84.6Confident87.2Confident94 Ų9470.6 Ų70.649%0.49236%0.355SS..THydrogen-bonded Turntrans-55.6-12.4-179-75168.9000115.3I865 I867 Y891I865-L888 HydrophobicContact CD1-CD1 4.32Å; I865-L888 HydrophobicContact CD1-CD2 3.84Å; I865-L888 HydrophobicContact CD1-CG 3.92Å; I865-L888 HydrophobicContact CG1-CD2 4.2Å; I867-L888 HydrophobicContact CG1-CD2 4.04Å; L888-Y891 WeakPolarHBondContact O-CE1 3.47Å
889N80.3Confident86.6Confident160 Ų16069.6 Ų69.686%0.85635%0.352SS*.THydrogen-bonded Turntrans-111.78.9-178.7-56.89.2000113.2R887R887-N889 PolarHBondContact O-N 3.24Å
890G82.6Confident86.1Confident24 Ų2470.2 Ų70.225%0.24736%0.358CS..SBendtrans-152.343.6-169.300000114.3R887 N906R887-G890 PolarHBondContact O-N 3.03Å; G890-N906 PolarHBondContact O-OD1 3.26Å
891Y91.7Very high86.1Confident47 Ų4771.6 Ų71.618%0.18436%0.361CS..EExtended strand (participates in β ladder)trans-141.3161.5175.977.6-72.4000110.2I867 E868 F877 R887 L888 F903 F904 N906I867-Y891 HydrophobicContact CG2-CD2 4.42Å; I867-Y891 HydrophobicContact CG2-CE1 4.37Å; I867-Y891 HydrophobicContact CG2-CE2 3.46Å; I867-Y891 VanDerWaalsContact CG2-CE2 3.46Å; I867-Y891 VanDerWaalsContact CG2-CZ 3.46Å; I867-Y891 VanDerWaalsContact CG2-OH 3.31Å; I867-Y891 WeakPolarHBondContact CG2-OH 3.21Å; E868-Y891 HydrophobicContact CG-CE2 4.5Å; E868-Y891 WeakPolarHBondContact CG-OH 3.45Å; F877-Y891 HydrophobicContact CE2-CD2 4.07Å; F877-Y891 HydrophobicContact CE2-CE2 4.44Å; F877-Y891 HydrophobicContact CE2-CG 4.22Å; F877-Y891 AromaticContact CZ-CD1 3.73Å; F877-Y891 HydrophobicContact CZ-CD1 3.73Å; F877-Y891 AromaticContact CZ-CD2 3.89Å; F877-Y891 HydrophobicContact CZ-CD2 3.89Å; F877-Y891 HydrophobicContact CZ-CE1 4.13Å; F877-Y891 HydrophobicContact CZ-CE2 4.28Å; F877-Y891 AromaticContact CZ-CG 3.62Å; F877-Y891 HydrophobicContact CZ-CG 3.62Å; R887-Y891 WeakPolarHBondContact O-CD1 3.42Å; L888-Y891 WeakPolarHBondContact O-CE1 3.47Å; Y891-F903 AromaticContact CD2-CD1 3.69Å; Y891-F903 HydrophobicContact CD2-CD1 3.69Å; Y891-F903 HydrophobicContact CD2-CE1 4.38Å; Y891-F903 HydrophobicContact CD2-CG 4.49Å; Y891-F903 AromaticContact CE2-CD1 3.79Å; Y891-F903 HydrophobicContact CE2-CD1 3.79Å; Y891-F903 HydrophobicContact CE2-CE1 4.02Å; Y891-F904 CarbonylContact C-O 3.26Å; Y891-F904 VanDerWaalsContact CA-O 3.23Å; Y891-F904 WeakPolarHBondContact CA-O 3.45Å; Y891-F904 WeakPolarHBondContact CB-O 3.32Å; Y891-N906 PolarHBondContact N-OD1 3.44Å
892G89Confident86.1Confident10 Ų1070 Ų7010%0.10335%0.354CS..EExtended strand (participates in β ladder)trans-127.2176.1153.700000110.2F903 F904G892-F903 WeakPolarHBondContact O-CA 3.42Å; G892-F904 PolarHBondContact N-O 3.16Å; G892-F904 PolarHBondContact O-N 3.44Å
893S90.4Very high86.2Confident32 Ų3267.5 Ų67.522%0.22434%0.337CS..EExtended strand (participates in β ladder)trans-123.2145.8173.860.10000110.7E868 K901 L902E868-S893 WeakPolarHBondContact OE2-CB 3.38Å; E868-S893 PolarHBondContact OE2-OG 2.88Å; S893-K901 WeakPolarHBondContact OG-CE 3.49Å; S893-L902 VanDerWaalsContact CA-O 3.27Å; S893-L902 WeakPolarHBondContact CA-O 3.49Å
894D89.7Confident86.4Confident56 Ų5664.4 Ų64.430%0.29932%0.32SS..EExtended strand (participates in β ladder)trans-124.8151.1167.2-90.4-37.4000108.8L902 F904 K916D894-L902 PolarHBondContact N-O 2.99Å; D894-L902 PolarHBondContact O-N 3.09Å; D894-F904 HydrophobicContact CB-CD2 4.22Å; D894-F904 HydrophobicContact CB-CE2 3.85Å; D894-K916 IonicContact OD2-NZ 3.58Å; D894-K916 PolarHBondContact OD2-NZ 2.95Å
895Y88.4Confident86.5Confident167 Ų16762.8 Ų62.866%0.65531%0.309SS*.EExtended strand (participates in β ladder)trans-101.4120171.7-167.2-87.8000109.2G900 K901Y895-G900 WeakPolarHBondContact CA-O 3.42Å; Y895-K901 HydrophobicContact CD2-CB 4.17Å
896I83.8Confident86.6Confident9 Ų963.8 Ų63.85%0.04631%0.312CS..EExtended strand (participates in β ladder)trans-116.4120.1177.3-56.2-174.2000106.9Q898 Y899 G900 L902 F904 L913 K916 L917 I920I896-Q898 PolarHBondContact O-N 3.44Å; I896-Y899 HydrophobicContact CB-CD2 4.49Å; I896-Y899 HydrophobicContact CG2-CD2 3.93Å; I896-Y899 PolarHBondContact O-N 2.84Å; I896-G900 PolarHBondContact N-O 3.08Å; I896-G900 PolarHBondContact O-N 2.97Å; I896-L902 HydrophobicContact CD1-CD1 4.32Å; I896-F904 HydrophobicContact CD1-CZ 4.21Å; I896-L913 HydrophobicContact CD1-CD1 4.18Å; I896-L913 HydrophobicContact CG1-CD1 4.1Å; I896-K916 HydrophobicContact CD1-CB 4.37Å; I896-L917 HydrophobicContact CG2-CD2 3.61Å; I896-L917 HydrophobicContact CG2-CG 4.46Å; I896-I920 HydrophobicContact CD1-CD1 3.67Å
897E76.1Confident86.5Confident180 Ų18073.2 Ų73.284%0.84135%0.347SS*.THydrogen-bonded Turntrans-50.6-36.3-166.4-66.8-174.6140.900114.6
898Q76.1Confident86.8Confident144 Ų14467 Ų6767%0.67333%0.325SS*.THydrogen-bonded Turntrans-78.6-26.3-178.5-64.4172.3-5.200114.2I896I896-Q898 PolarHBondContact O-N 3.44Å
899Y79.7Confident87Confident68 Ų6865 Ų6527%0.26731%0.314SS..THydrogen-bonded Turntrans-116.8-8.8-172-58.5-83.3000113.4I896 L902 L917 I920 I928I896-Y899 HydrophobicContact CB-CD2 4.49Å; I896-Y899 HydrophobicContact CG2-CD2 3.93Å; I896-Y899 PolarHBondContact O-N 2.84Å; Y899-L902 HydrophobicContact CG-CD1 4.23Å; Y899-L917 HydrophobicContact CE2-CD2 4.25Å; Y899-I920 HydrophobicContact CD1-CG2 3.89Å; Y899-I920 HydrophobicContact CD2-CG2 3.97Å; Y899-I920 HydrophobicContact CE1-CG2 3.55Å; Y899-I920 HydrophobicContact CE2-CG2 3.65Å; Y899-I920 HydrophobicContact CG-CG2 4.09Å; Y899-I920 VanDerWaalsContact CZ-CG2 3.42Å; Y899-I928 HydrophobicContact CE1-CD1 4.29Å
900G83.2Confident87.3Confident13 Ų1364.2 Ų64.213%0.13431%0.31CS..EExtended strand (participates in β ladder)trans74.6-141-173.300000112.2Y895 I896 L902Y895-G900 WeakPolarHBondContact CA-O 3.42Å; I896-G900 PolarHBondContact N-O 3.08Å; I896-G900 PolarHBondContact O-N 2.97Å; G900-L902 PolarHBondContact O-N 2.89Å
901K88.4Confident87.5Confident48 Ų4864.7 Ų64.721%0.20931%0.309CS..EExtended strand (participates in β ladder)trans-89.7109.2-174.8-172175.9-179.3173.70110.6H853 E868 S893 Y895H853-K901 PolarHBondContact CD2-O 2.88Å; E868-K901 VanDerWaalsContact CB-NZ 3.29Å; E868-K901 WeakPolarHBondContact OE2-CE 3.49Å; E868-K901 IonicContact OE2-NZ 2.64Å; E868-K901 PolarHBondContact OE2-NZ 3.31Å; S893-K901 WeakPolarHBondContact OG-CE 3.49Å; Y895-K901 HydrophobicContact CD2-CB 4.17Å
902L90Very high87.2Confident7 Ų765 Ų654%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-105.2152.8177.3-66.2178.7000110.8L854 A880 S893 D894 I896 Y899 G900 F904 I920L854-L902 HydrophobicContact CD2-CD2 4.12Å; A880-L902 HydrophobicContact CB-CB 4.04Å; A880-L902 HydrophobicContact CB-CD1 4.04Å; A880-L902 HydrophobicContact CB-CD2 4.41Å; A880-L902 HydrophobicContact CB-CG 4.4Å; S893-L902 VanDerWaalsContact CA-O 3.27Å; S893-L902 WeakPolarHBondContact CA-O 3.49Å; D894-L902 PolarHBondContact N-O 2.99Å; D894-L902 PolarHBondContact O-N 3.09Å; I896-L902 HydrophobicContact CD1-CD1 4.32Å; Y899-L902 HydrophobicContact CG-CD1 4.23Å; G900-L902 PolarHBondContact O-N 2.89Å; L902-F904 HydrophobicContact CB-CE2 3.76Å; L902-F904 HydrophobicContact CB-CZ 4.03Å; L902-I920 HydrophobicContact CD1-CD1 3.49Å; L902-I920 VanDerWaalsContact CD1-CD1 3.49Å; L902-I920 HydrophobicContact CD1-CG1 4.32Å
903F92.5Very high86.9Confident1 Ų169.4 Ų69.40%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-108.5141.7-179.9-57.4-76.5000110.8L854 I867 V870 F877 C879 A880 L886 Y891 G892L854-F903 HydrophobicContact CD1-CD2 4.08Å; L854-F903 HydrophobicContact CD1-CE2 4.32Å; L854-F903 HydrophobicContact CD2-CD2 4.16Å; L854-F903 HydrophobicContact CD2-CE2 4.28Å; L854-F903 HydrophobicContact CG-CE2 4.49Å; I867-F903 HydrophobicContact CB-CE1 4.25Å; I867-F903 HydrophobicContact CB-CZ 4.07Å; I867-F903 HydrophobicContact CG2-CD1 4.19Å; I867-F903 HydrophobicContact CG2-CE1 3.45Å; I867-F903 VanDerWaalsContact CG2-CE1 3.45Å; I867-F903 HydrophobicContact CG2-CZ 3.79Å; V870-F903 HydrophobicContact CG2-CZ 3.85Å; F877-F903 HydrophobicContact CD2-CB 4.4Å; F877-F903 AromaticContact CD2-CD2 3.95Å; F877-F903 HydrophobicContact CD2-CD2 3.95Å; F877-F903 HydrophobicContact CD2-CE2 4.37Å; F877-F903 HydrophobicContact CD2-CG 4.1Å; F877-F903 HydrophobicContact CE2-CB 4.02Å; F877-F903 AromaticContact CE2-CD1 3.92Å; F877-F903 HydrophobicContact CE2-CD1 3.92Å; F877-F903 HydrophobicContact CE2-CD2 4Å; F877-F903 HydrophobicContact CE2-CE1 4.37Å; F877-F903 HydrophobicContact CE2-CE2 4.44Å; F877-F903 AromaticContact CE2-CG 3.71Å; F877-F903 HydrophobicContact CE2-CG 3.71Å; C879-F903 CarbonylContact C-O 3.09Å; C879-F903 WeakPolarHBondContact CA-O 3.37Å; A880-F903 PolarHBondContact N-O 3.02Å; L886-F903 HydrophobicContact CD1-CB 3.39Å; Y891-F903 AromaticContact CD2-CD1 3.69Å; Y891-F903 HydrophobicContact CD2-CD1 3.69Å; Y891-F903 HydrophobicContact CD2-CE1 4.38Å; Y891-F903 HydrophobicContact CD2-CG 4.49Å; Y891-F903 AromaticContact CE2-CD1 3.79Å; Y891-F903 HydrophobicContact CE2-CD1 3.79Å; Y891-F903 HydrophobicContact CE2-CE1 4.02Å; G892-F903 WeakPolarHBondContact O-CA 3.42Å
904F92.7Very high86.7Confident0 Ų077.9 Ų77.90%037%0.365CS..EExtended strand (participates in β ladder)trans-130.5144.1-178.1-61-91.5000109.4A880 F881 Y891 G892 D894 I896 L902 H908 L909 K916 I920A880-F904 HydrophobicContact CB-CD1 4.47Å; A880-F904 HydrophobicContact CB-CE1 3.91Å; A880-F904 HydrophobicContact CB-CZ 4.02Å; F881-F904 HydrophobicContact CB-CD1 4.06Å; F881-F904 HydrophobicContact CB-CE1 4.25Å; Y891-F904 CarbonylContact C-O 3.26Å; Y891-F904 VanDerWaalsContact CA-O 3.23Å; Y891-F904 WeakPolarHBondContact CA-O 3.45Å; Y891-F904 WeakPolarHBondContact CB-O 3.32Å; G892-F904 PolarHBondContact N-O 3.16Å; G892-F904 PolarHBondContact O-N 3.44Å; D894-F904 HydrophobicContact CB-CD2 4.22Å; D894-F904 HydrophobicContact CB-CE2 3.85Å; I896-F904 HydrophobicContact CD1-CZ 4.21Å; L902-F904 HydrophobicContact CB-CE2 3.76Å; L902-F904 HydrophobicContact CB-CZ 4.03Å; F904-H908 HydrophobicContact CD1-CB 4.39Å; F904-L909 HydrophobicContact CB-CB 4.33Å; F904-L909 HydrophobicContact CB-CD1 4.29Å; F904-K916 HydrophobicContact CD1-CD 4.49Å; F904-K916 HydrophobicContact CD1-CG 4.42Å; F904-K916 HydrophobicContact CE1-CB 4.29Å; F904-K916 HydrophobicContact CE1-CD 4.01Å; F904-K916 HydrophobicContact CE1-CG 3.8Å; F904-K916 HydrophobicContact CZ-CB 4.44Å; F904-K916 HydrophobicContact CZ-CD 4.04Å; F904-K916 HydrophobicContact CZ-CG 4.2Å; F904-I920 HydrophobicContact CZ-CD1 4.2Å
905C92.3Very high86.6Confident20 Ų2079.1 Ų79.114%0.13537%0.372CS..EExtended strand (participates in β ladder)trans-70.2157.4169.366.50000109.4C879 L886 R907 H908 L909C879-C905 HydrophobicContact CB-CB 4.21Å; C879-C905 PolarHBondContact SG-N 3.45Å; L886-C905 HydrophobicContact CD2-CB 3.62Å; C905-R907 PolarHBondContact O-N 3.01Å; C905-H908 PolarHBondContact O-N 2.87Å; C905-H908 PolarHBondContact SG-ND1 3.49Å; C905-L909 PolarHBondContact O-N 2.96Å
906N91.1Very high86.6Confident96 Ų9671.6 Ų71.651%0.51334%0.343SS..Hα-helixtrans-50.3-32.4-176.3-64.9-2.4000113.9G890 Y891G890-N906 PolarHBondContact O-OD1 3.26Å; Y891-N906 PolarHBondContact N-OD1 3.44Å
907R88.5Confident86.7Confident209 Ų20973.2 Ų73.279%0.78935%0.351SS*.Hα-helixtrans-67.4-40.3175.5-177.1177.2173.5-176.6-3.2113.7C905C905-R907 PolarHBondContact O-N 3.01Å
908H91.4Very high87.1Confident23 Ų2366.7 Ų66.711%0.10633%0.328CS..Hα-helixtrans-96.7-9.5-176.9-58.1133.1000113.5F881 C882 F904 C905 N910 C911 K916F881-H908 HydrophobicContact CB-CB 3.67Å; F881-H908 HydrophobicContact CD1-CB 4.17Å; F881-H908 AromaticContact CD1-CD2 3.48Å; F881-H908 VanDerWaalsContact CD1-CD2 3.48Å; F881-H908 WeakPolarHBondContact CD1-CD2 3.31Å; F881-H908 AromaticContact CD1-CE1 3.78Å; F881-H908 AromaticContact CD1-CG 3.49Å; F881-H908 VanDerWaalsContact CD1-CG 3.49Å; F881-H908 AromaticContact CD1-ND1 3.66Å; F881-H908 AromaticContact CD1-NE2 3.7Å; F881-H908 HydrophobicContact CD2-CB 4.49Å; F881-H908 AromaticContact CE1-CD2 3.81Å; F881-H908 AromaticContact CE1-NE2 3.98Å; F881-H908 HydrophobicContact CG-CB 3.87Å; F881-H908 AromaticContact CG-CG 3.71Å; C882-H908 VanDerWaalsContact CB-CE1 3.46Å; C882-H908 WeakPolarHBondContact CB-CE1 3.4Å; C882-H908 PolarHBondContact SG-CE1 3.32Å; C882-H908 PolarHBondContact SG-ND1 3.49Å; F904-H908 HydrophobicContact CD1-CB 4.39Å; C905-H908 PolarHBondContact O-N 2.87Å; C905-H908 PolarHBondContact SG-ND1 3.49Å; H908-N910 PolarHBondContact O-N 3.12Å; H908-C911 WeakPolarHBondContact O-CB 3.44Å; H908-C911 PolarHBondContact O-N 2.91Å; H908-K916 WeakPolarHBondContact O-CE 3.23Å
909L89.8Confident87.5Confident50 Ų5064.6 Ų64.626%0.26231%0.314SS..Hα-helixtrans-58.5-32.8171.4-171.365.3000111.9F904 C905 K916F904-L909 HydrophobicContact CB-CB 4.33Å; F904-L909 HydrophobicContact CB-CD1 4.29Å; C905-L909 PolarHBondContact O-N 2.96Å; L909-K916 PolarHBondContact O-NZ 3.44Å
910N87.1Confident87.6Confident145 Ų14561.4 Ų61.478%0.77530%0.302SS*.THydrogen-bonded Turntrans-94.73.1-179.8-64.4-10000114.1H908H908-N910 PolarHBondContact O-N 3.12Å
911C85.2Confident87.5Confident33 Ų3366.8 Ų66.822%0.22332%0.323CS..SBendtrans-66.3150.6171.9-70.90000110.8F881 H908 D915 K916F881-C911 HydrophobicContact CE2-CB 4.27Å; H908-C911 WeakPolarHBondContact O-CB 3.44Å; H908-C911 PolarHBondContact O-N 2.91Å; C911-D915 HydrophobicContact CB-CB 4.45Å; C911-K916 HydrophobicContact CB-CG 4.2Å; C911-K916 WeakPolarHBondContact O-CE 3.25Å; C911-K916 PolarHBondContact O-NZ 2.91Å
912S85.2Confident86.9Confident53 Ų5370.6 Ų70.637%0.37134%0.342SS..  trans-64.1153.8-179.682.80000110.8R914 D915 K916S912-R914 PolarHBondContact O-N 3.17Å; S912-R914 PolarHBondContact OG-N 3.47Å; S912-D915 VanDerWaalsContact CB-OD2 3.27Å; S912-D915 WeakPolarHBondContact CB-OD2 3.37Å; S912-D915 PolarHBondContact N-OD2 2.85Å; S912-D915 PolarHBondContact O-N 3.05Å; S912-D915 VanDerWaalsContact O-N 3.12Å; S912-D915 PolarHBondContact OG-N 3.06Å; S912-D915 VanDerWaalsContact OG-N 3.15Å; S912-D915 PolarHBondContact OG-OD2 3.39Å; S912-K916 WeakPolarHBondContact O-CG 3.36Å; S912-K916 PolarHBondContact O-N 3.25Å
913L83.7Confident85.7Confident103 Ų10371.5 Ų71.554%0.53935%0.347SS..Hα-helixtrans-56.7-32.8175.6-174.566.4000111.3I896 K916 L917I896-L913 HydrophobicContact CD1-CD1 4.18Å; I896-L913 HydrophobicContact CG1-CD1 4.1Å; L913-K916 PolarHBondContact O-N 2.64Å; L913-L917 HydrophobicContact CG-CD1 4.04Å; L913-L917 WeakPolarHBondContact O-CB 3.46Å; L913-L917 VanDerWaalsContact O-CG 3.3Å; L913-L917 WeakPolarHBondContact O-CG 3.34Å; L913-L917 PolarHBondContact O-N 3.47Å
914R85.4Confident83.9Confident211 Ų21174 Ų7480%0.79636%0.364SS*.Hα-helixtrans-66.5-43.8177.4-158.2-176.7-154.7-158.55.8112.2S912 A918S912-R914 PolarHBondContact O-N 3.17Å; S912-R914 PolarHBondContact OG-N 3.47Å; R914-A918 VanDerWaalsContact O-CB 3.28Å; R914-A918 WeakPolarHBondContact O-CB 3.48Å; R914-A918 PolarHBondContact O-N 3.4Å
915D87.1Confident82.1Confident82 Ų8278.8 Ų78.844%0.43939%0.394SS..Hα-helixtrans-68.7-40177.5-51-47.7000110.8F881 C911 S912 R919F881-D915 HydrophobicContact CE2-CB 4.06Å; F881-D915 WeakPolarHBondContact CE2-O 3.49Å; C911-D915 HydrophobicContact CB-CB 4.45Å; S912-D915 VanDerWaalsContact CB-OD2 3.27Å; S912-D915 WeakPolarHBondContact CB-OD2 3.37Å; S912-D915 PolarHBondContact N-OD2 2.85Å; S912-D915 PolarHBondContact O-N 3.05Å; S912-D915 VanDerWaalsContact O-N 3.12Å; S912-D915 PolarHBondContact OG-N 3.06Å; S912-D915 VanDerWaalsContact OG-N 3.15Å; S912-D915 PolarHBondContact OG-OD2 3.39Å; D915-R919 VanDerWaalsContact O-CB 3.28Å; D915-R919 WeakPolarHBondContact O-CB 3.46Å; D915-R919 PolarHBondContact O-N 2.88Å
916K88.8Confident80.2Confident9 Ų983.5 Ų83.54%0.03942%0.417CS..Hα-helixtrans-60.3-51.1175.3-72.5169.4177.8155.90110.7F881 D894 I896 F904 H908 L909 C911 S912 L913 R919 I920F881-K916 HydrophobicContact CD2-CG 4.25Å; D894-K916 IonicContact OD2-NZ 3.58Å; D894-K916 PolarHBondContact OD2-NZ 2.95Å; I896-K916 HydrophobicContact CD1-CB 4.37Å; F904-K916 HydrophobicContact CD1-CD 4.49Å; F904-K916 HydrophobicContact CD1-CG 4.42Å; F904-K916 HydrophobicContact CE1-CB 4.29Å; F904-K916 HydrophobicContact CE1-CD 4.01Å; F904-K916 HydrophobicContact CE1-CG 3.8Å; F904-K916 HydrophobicContact CZ-CB 4.44Å; F904-K916 HydrophobicContact CZ-CD 4.04Å; F904-K916 HydrophobicContact CZ-CG 4.2Å; H908-K916 WeakPolarHBondContact O-CE 3.23Å; L909-K916 PolarHBondContact O-NZ 3.44Å; C911-K916 HydrophobicContact CB-CG 4.2Å; C911-K916 WeakPolarHBondContact O-CE 3.25Å; C911-K916 PolarHBondContact O-NZ 2.91Å; S912-K916 WeakPolarHBondContact O-CG 3.36Å; S912-K916 PolarHBondContact O-N 3.25Å; L913-K916 PolarHBondContact O-N 2.64Å; K916-R919 PolarHBondContact O-N 3.01Å; K916-I920 WeakPolarHBondContact O-CB 3.23Å; K916-I920 VanDerWaalsContact O-CD1 3.29Å; K916-I920 WeakPolarHBondContact O-CD1 3.2Å; K916-I920 WeakPolarHBondContact O-CG1 3.33Å; K916-I920 PolarHBondContact O-N 2.9Å
917L85.5Confident78.4Confident43 Ų4384.3 Ų84.323%0.22542%0.418CS..Hα-helixtrans-58.5-53.3176.1-76.8167.4000111.6I896 Y899 L913 R919 I920 E921I896-L917 HydrophobicContact CG2-CD2 3.61Å; I896-L917 HydrophobicContact CG2-CG 4.46Å; Y899-L917 HydrophobicContact CE2-CD2 4.25Å; L913-L917 HydrophobicContact CG-CD1 4.04Å; L913-L917 WeakPolarHBondContact O-CB 3.46Å; L913-L917 VanDerWaalsContact O-CG 3.3Å; L913-L917 WeakPolarHBondContact O-CG 3.34Å; L913-L917 PolarHBondContact O-N 3.47Å; L917-R919 PolarHBondContact O-N 3.34Å; L917-R919 VanDerWaalsContact O-N 3.11Å; L917-I920 PolarHBondContact O-N 3.4Å; L917-E921 WeakPolarHBondContact O-CB 3.32Å; L917-E921 WeakPolarHBondContact O-CG 3.27Å; L917-E921 PolarHBondContact O-N 3.18Å
918A84.8Confident76.9Confident43 Ų4376.3 Ų76.336%0.35539%0.391SS..Hα-helixtrans-58.8-29.4179.900000113.2R914 Q922R914-A918 VanDerWaalsContact O-CB 3.28Å; R914-A918 WeakPolarHBondContact O-CB 3.48Å; R914-A918 PolarHBondContact O-N 3.4Å; A918-Q922 VanDerWaalsContact O-CG 3.25Å; A918-Q922 WeakPolarHBondContact O-CG 3.42Å
919R86Confident74.8Confident99 Ų9977.6 Ų77.637%0.37440%0.4SS..Hα-helixtrans-83-31.6176.2-168.553.9176.8163.76113.5F881 D915 K916 L917F881-R919 HydrophobicContact CD1-CG 4.15Å; F881-R919 HydrophobicContact CD2-CB 3.82Å; F881-R919 HydrophobicContact CD2-CG 4.02Å; F881-R919 HydrophobicContact CE1-CG 4.26Å; F881-R919 HydrophobicContact CE2-CB 3.74Å; F881-R919 HydrophobicContact CE2-CG 4.14Å; F881-R919 HydrophobicContact CG-CB 4.35Å; F881-R919 HydrophobicContact CG-CG 4.03Å; F881-R919 HydrophobicContact CZ-CB 4.2Å; F881-R919 HydrophobicContact CZ-CG 4.25Å; F881-R919 WeakPolarHBondContact O-CG 3.35Å; F881-R919 PolarHBondContact O-NE 3.45Å; D915-R919 VanDerWaalsContact O-CB 3.28Å; D915-R919 WeakPolarHBondContact O-CB 3.46Å; D915-R919 PolarHBondContact O-N 2.88Å; K916-R919 PolarHBondContact O-N 3.01Å; L917-R919 PolarHBondContact O-N 3.34Å; L917-R919 VanDerWaalsContact O-N 3.11Å
920I81.3Confident72.4Confident2 Ų276.7 Ų76.71%0.0140%0.4CS..Hα-helixtrans-73.3-39.8174.7-67.5160.6000110.3A880 I896 Y899 L902 F904 K916 L917 Q922 L923 I928A880-I920 HydrophobicContact CB-CG1 4.44Å; I896-I920 HydrophobicContact CD1-CD1 3.67Å; Y899-I920 HydrophobicContact CD1-CG2 3.89Å; Y899-I920 HydrophobicContact CD2-CG2 3.97Å; Y899-I920 HydrophobicContact CE1-CG2 3.55Å; Y899-I920 HydrophobicContact CE2-CG2 3.65Å; Y899-I920 HydrophobicContact CG-CG2 4.09Å; Y899-I920 VanDerWaalsContact CZ-CG2 3.42Å; L902-I920 HydrophobicContact CD1-CD1 3.49Å; L902-I920 VanDerWaalsContact CD1-CD1 3.49Å; L902-I920 HydrophobicContact CD1-CG1 4.32Å; F904-I920 HydrophobicContact CZ-CD1 4.2Å; K916-I920 WeakPolarHBondContact O-CB 3.23Å; K916-I920 VanDerWaalsContact O-CD1 3.29Å; K916-I920 WeakPolarHBondContact O-CD1 3.2Å; K916-I920 WeakPolarHBondContact O-CG1 3.33Å; K916-I920 PolarHBondContact O-N 2.9Å; L917-I920 PolarHBondContact O-N 3.4Å; I920-Q922 PolarHBondContact O-N 3.04Å; I920-L923 PolarHBondContact O-N 2.7Å; I920-L923 VanDerWaalsContact O-N 3.08Å; I920-I928 HydrophobicContact CG2-CD1 3.71Å
921E80.6Confident69.9Low126 Ų12675 Ų7559%0.58939%0.391SS*.THydrogen-bonded Turntrans-64.9-21.6174.6-71.2172.6171.700113.3L917L917-E921 WeakPolarHBondContact O-CB 3.32Å; L917-E921 WeakPolarHBondContact O-CG 3.27Å; L917-E921 PolarHBondContact O-N 3.18Å
922Q75.6Confident67.5Low128 Ų12878.8 Ų78.860%0.59842%0.415SS*.THydrogen-bonded Turntrans-83.4-17.2173.1-78.1173.96.500114A918 I920A918-Q922 VanDerWaalsContact O-CG 3.25Å; A918-Q922 WeakPolarHBondContact O-CG 3.42Å; I920-Q922 PolarHBondContact O-N 3.04Å
923L65.8Low65.1Low26 Ų2684.9 Ų84.914%0.13644%0.44CS..SBendtrans-91129.5173.8-68164.8000107.1A880 I920 E927 I928A880-L923 WeakPolarHBondContact O-CD1 3.49Å; I920-L923 PolarHBondContact O-N 2.7Å; I920-L923 VanDerWaalsContact O-N 3.08Å; L923-E927 WeakPolarHBondContact CA-OE2 3.36Å; L923-E927 HydrophobicContact CB-CB 4.44Å; L923-I928 HydrophobicContact CB-CD1 4.18Å; L923-I928 HydrophobicContact CB-CG1 3.98Å
924S54.4Low62.7Low54 Ų5486.9 Ų86.938%0.37845%0.451SS..  trans-62.2154.4178.577.70000110D926 E927 I928S924-D926 PolarHBondContact O-N 3.45Å; S924-D926 VanDerWaalsContact O-N 3.1Å; S924-E927 PolarHBondContact N-OE2 2.95Å; S924-E927 WeakPolarHBondContact O-CB 3.34Å; S924-E927 PolarHBondContact O-N 2.74Å; S924-E927 WeakPolarHBondContact OG-CG 3.47Å; S924-E927 PolarHBondContact OG-N 2.94Å; S924-E927 VanDerWaalsContact OG-N 3.12Å; S924-I928 PolarHBondContact O-N 2.76Å
925T53.8Low60.2Low100 Ų10082.6 Ų82.661%0.61345%0.448SS*.Hα-helixtrans-52.9-36.3176.1-90000111.2I928 T929T925-I928 PolarHBondContact O-N 2.97Å; T925-T929 PolarHBondContact O-N 3.28Å; T925-T929 PolarHBondContact O-OG1 3.34Å
926D52.2Low57.6Low119 Ų11984.1 Ų84.164%0.63646%0.461SS*.Hα-helixtrans-71.2-32.2178.6-50.2-47.6000112.9S924 I928 T929 A930S924-D926 PolarHBondContact O-N 3.45Å; S924-D926 VanDerWaalsContact O-N 3.1Å; D926-I928 VanDerWaalsContact C-N 3.3Å; D926-I928 PolarHBondContact O-N 3.35Å; D926-T929 CarbonylContact O-C 3.55Å; D926-T929 PolarHBondContact O-N 2.76Å; D926-A930 PolarHBondContact O-N 3.41Å; D926-A930 VanDerWaalsContact O-N 3.13Å
927E54.6Low54.9Low112 Ų11289 Ų8952%0.52350%0.495SS..Hα-helixtrans-70.1-25.1172.5-75.5178.7145.200113.2L923 S924L923-E927 WeakPolarHBondContact CA-OE2 3.36Å; L923-E927 HydrophobicContact CB-CB 4.44Å; S924-E927 PolarHBondContact N-OE2 2.95Å; S924-E927 WeakPolarHBondContact O-CB 3.34Å; S924-E927 PolarHBondContact O-N 2.74Å; S924-E927 WeakPolarHBondContact OG-CG 3.47Å; S924-E927 PolarHBondContact OG-N 2.94Å; S924-E927 VanDerWaalsContact OG-N 3.12Å
928I55.5Low52.5Low42 Ų4294.4 Ų94.422%0.21553%0.525CS..Hα-helixtrans-84.8-29.4173.1-58.2162.6000110.4Y899 I920 L923 S924 T925 D926Y899-I928 HydrophobicContact CE1-CD1 4.29Å; I920-I928 HydrophobicContact CG2-CD1 3.71Å; L923-I928 HydrophobicContact CB-CD1 4.18Å; L923-I928 HydrophobicContact CB-CG1 3.98Å; S924-I928 PolarHBondContact O-N 2.76Å; T925-I928 PolarHBondContact O-N 2.97Å; D926-I928 VanDerWaalsContact C-N 3.3Å; D926-I928 PolarHBondContact O-N 3.35Å
929T48.9Very low50.2Low49 Ų4999.4 Ų99.430%0.30155%0.546SS..SBendtrans-125.851.4-173.572.30000115.8L854 T925 D926L854-T929 WeakPolarHBondContact O-CG2 3.25Å; T925-T929 PolarHBondContact O-N 3.28Å; T925-T929 PolarHBondContact O-OG1 3.34Å; D926-T929 CarbonylContact O-C 3.55Å; D926-T929 PolarHBondContact O-N 2.76Å
930A39.5Very low47.8Very low32 Ų32102.7 Ų102.726%0.26457%0.565SS.*  trans65.9138.8158.800000120.2C855 R857 D926C855-A930 HydrophobicContact CB-CB 3.56Å; R857-A930 PolarHBondContact NH2-O 3.07Å; D926-A930 PolarHBondContact O-N 3.41Å; D926-A930 VanDerWaalsContact O-N 3.13Å
931D33.8Very low45.6Very low110 Ų110106.8 Ų106.859%0.58859%0.594SS**  -167.7153.1116.7-131.6-32.6000108.5R857R857-D931 IonicContact CZ-OD1 2.68Å; R857-D931 IonicContact CZ-OD2 3.93Å; R857-D931 IonicContact NH1-OD1 3.74Å; R857-D931 PolarHBondContact NH1-OD1 2.74Å; R857-D931 IonicContact NH1-OD2 3.89Å; R857-D931 PolarHBondContact NH1-OD2 2.87Å; R857-D931 IonicContact NH2-OD1 2.69Å; R857-D931 IonicContact NH2-OD2 3.07Å; R857-D931 PolarHBondContact NH2-OD2 3.36Å
932P34Very low43.4Very low111 Ų111110.1 Ų110.172%0.72161%0.606SS**PPolyproline II helixtrans-67.1131156-13.931.4000108.6D934P932-D934 PolarHBondContact O-N 2.86Å
933M36.6Very low41.5Very low181 Ų181109.5 Ų109.589%0.89262%0.616SS**PPolyproline II helixtrans-61.9119-179.5-60.2175.980.600110.9
934D31.5Very low40.2Very low145 Ų145113.7 Ų113.778%0.77565%0.645SS**PPolyproline II helixtrans-97.4140.9161-162.31.6000108.6P932P932-D934 PolarHBondContact O-N 2.86Å
935V33.4Very low39.3Very low121 Ų121119.9 Ų119.973%0.73367%0.668SS**  trans-131.397.9-171.7-178.90000109.2
936T32.3Very low38.5Very low115 Ų115119.5 Ų119.571%0.70667%0.667SS**  trans-139.1136.6169.646.10000112.9
937S33.5Very low37.7Very low110 Ų110119.7 Ų119.777%0.76967%0.673SS**  trans56.4117.2158.959.90000121.3
938D35.1Very low36.9Very low158 Ų158120.7 Ų120.785%0.84569%0.687SS**  trans-113.8129.4136.4-73.3-44.2000108.4
939D36.1Very low36.1Very low148 Ų148124.3 Ų124.379%0.79171%0.713SS**  trans31.7152.9138.8-77.6-39.3000123.3
940E36.3Very low35.5Very low168 Ų168130 Ų13079%0.78574%0.736SS**  cis-156.3150.622.5-144.5-176.5-164.700114.2
941S33.1Very low35.4Very low87 Ų87135.4 Ų135.461%0.60876%0.758SS**  trans23.4122.8155.8760000124.8
942K36.1Very low35.4Very low197 Ų197137.4 Ų137.486%0.85777%0.765SS**  -179.6122106.6-98.1169.2-175.2167.90116
943S35.2Very low35.5Very low114 Ų114139.1 Ų139.180%0.79777%0.774SS**  trans-14158.9165.8500000124.2
944P37.3Very low35.4Very low115 Ų115134.8 Ų134.875%0.74776%0.761SS**  trans-117.1-173.6-161.344.4-32000115.1
945Q36.5Very low35.5Very low184 Ų184136.7 Ų136.786%0.8676%0.763SS**  trans-179.7160.2134.5-89.5-98.1-38.300112.5
946P36.1Very low35.6Very low92 Ų92138.4 Ų138.460%0.59776%0.761SS**  trans-135.5-147.3-143.443.2-24.2000115.8
947T37.2Very low35.6Very low122 Ų122140.7 Ų140.775%0.74876%0.763SS**  trans90.7143.3167.674.80000117.5
948T37.8Very low35.4Very low133 Ų133139.4 Ų139.482%0.81677%0.767SS**  cis-161.3168.1-20.517.70000109.4
949P37.4Very low35.3Very low118 Ų118140.5 Ų140.577%0.76677%0.77SS**  trans-108.5162.9-166.140.9-34.6000116.5
950E36.7Very low35Very low170 Ų170139.6 Ų139.679%0.79477%0.769SS**  trans174.8159.2147.3-105.4-170.2177.800110.4
951M36.8Very low34.6Very low145 Ų145140.3 Ų140.371%0.71477%0.773SS**  cis-152.9-172.8-11.8-146.3-174-157.600111.8
952M34.6Very low34.4Very low152 Ų152140.7 Ų140.775%0.74978%0.775SS**  trans-38140.9174.8-64.1159.5114.800120.3
953T36.5Very low34.2Very low147 Ų147137.7 Ų137.790%0.90277%0.774SS**  -178.616410029.10000113
954S32.9Very low34Very low90 Ų90138.5 Ų138.563%0.62977%0.774SS**  trans-84.9150-167.452.90000116
955F34.8Very low33.9Very low185 Ų185138.1 Ų138.181%0.81177%0.772SS**  -178.4132.4107.1-105.5-79.7000114
956K36Very low33.8Very low156 Ų156137.9 Ų137.968%0.67877%0.768SS**  trans12.1135.5159.5-76.2174.5160.7-114.10124.5
957E31.4Very low33.5Very low164 Ų164141.6 Ų141.677%0.76678%0.777SS**  trans74.7112.7134.9-68.8161.3-147.400120.2
958G30.3Very low33.4Very low82 Ų82143.2 Ų143.285%0.84579%0.786SS**  trans151.276167.400000116.3
959M31.5Very low33Very low182 Ų182145.7 Ų145.790%0.89779%0.789SS**  trans-69.9148.9165.6-67.3169.4105.300110
960T30.6Very low32.9Very low128 Ų128148.2 Ų148.279%0.78579%0.79SS**  cis-166.9140.3-3.621.40000106.7
961E28.4Very low32.7Very low184 Ų184150.9 Ų150.986%0.8679%0.793SS**  trans-136.4116-178.7-142.4179.8-15100114.4
962S27.3Very low32.5Very low95 Ų95152.6 Ų152.666%0.66480%0.803SS**  trans62.9166.7141.6830000124.2
963T33.6Very low32.1Very low134 Ų134154 Ų15482%0.82281%0.808SS**  trans87.8146.416156.40000121.7
964T29.5Very low31.9Very low131 Ų131156.2 Ų156.280%0.80481%0.805SS**  trans-132.9-158.7-163.956.40000108.3
965P36.3Very low31.8Very low107 Ų107156.4 Ų156.470%0.69580%0.802SS**  cis-126.1-178.3-38.529.7-9.9000112.8
966K34.2Very low31.3Very low178 Ų178156 Ų15677%0.77481%0.808SS**  trans156.1115.3141.8-87.6171.1178.5-173.30110.8
967E30.7Very low31.2Very low171 Ų171152.8 Ų152.880%0.79981%0.811SS**  74.4108.789.9-74.5178.3165.200115.1
968V33.7Very low31.1Very low155 Ų155150.6 Ų150.694%0.93981%0.813SS**  trans-160.7145.1132.4173.40000107.4
969E30.3Very low31Very low185 Ų185152.6 Ų152.686%0.86481%0.814SS**  trans-143.1124.4-170.4174.8178.7-132.600111.2
970E35Very low31.1Very low171 Ų171149.2 Ų149.280%0.79981%0.806SS**  trans-152.8112.9166.2-96.7-174.9158.500109.1
971R32.9Very low31.2Very low226 Ų226154 Ų15485%0.85381%0.809SS**  78.211585.3-87.2-174.1168.1174.9-2116.3
972I31Very low31.3Very low181 Ų181153.1 Ų153.193%0.92881%0.806SS**  -161127.3126.5-93.7151.9000107.6
973E27.1Very low31.7Very low183 Ų183156.8 Ų156.886%0.85582%0.818SS**  trans-149.8121.4-178.3176.8-176.6-124.900108.5
974F31.8Very low31.7Very low192 Ų192158.7 Ų158.784%0.84282%0.817SS**  trans171.5148.3161.7-117.2-130.7000109.1
975V31.2Very low31.9Very low94 Ų94160.9 Ų160.957%0.5782%0.818SS**  cis-156.5154.5-17.899.90000110.2A977V975-A977 HydrophobicContact CG1-CB 4.15Å
976L25.4Very low31.9Very low177 Ų177162.6 Ų162.693%0.92782%0.821SS**  trans-110.3113.2157.8-78169.2000107.8
977A33Very low32Very low89 Ų89161.7 Ų161.774%0.73682%0.824SS**  trans-155.7141.8171.400000112.1V975V975-A977 HydrophobicContact CG1-CB 4.15Å
978S28.9Very low32.1Very low118 Ų118162.2 Ų162.283%0.82583%0.827SS**  trans-91.7143.6-175.9-32.90000112.3
979S28.6Very low32.2Very low123 Ų123159.3 Ų159.386%0.8682%0.819SS**  trans-174.5156136.6-92.40000113.8
980P34.1Very low32.3Very low111 Ų111157.7 Ų157.772%0.72182%0.816SS**  trans-103.9154.4178.339.4-33000114
981R33.2Very low32.4Very low228 Ų228154.8 Ų154.886%0.8682%0.815SS**  trans-177.5125148.8-92.9141.1-163.9-134.72.6105.8
982Q29Very low32.3Very low167 Ų167148 Ų14878%0.7882%0.815SS**  54.899.883.4-77.4-172.8-56.800112.4
983D35.8Very low32.4Very low171 Ų171143 Ų14391%0.91481%0.809SS**  trans-140.7144.8139.2-83.2-45.1000107.1
984E33.6Very low32.6Very low174 Ų174139.3 Ų139.381%0.81380%0.803SS**  trans-102.7169.3-171.6-61.9174.2142.100111.2
985E34.9Very low32.5Very low177 Ų177141.9 Ų141.983%0.82781%0.807SS**  trans136.693.2158.7-74.6-171.5159.300109.8
986L35.4Very low32.5Very low144 Ų144145.7 Ų145.775%0.75482%0.819SS**  86.7100.189.9-80.4174.1000111.3
987D36.4Very low32.9Very low158 Ų158141.1 Ų141.185%0.84580%0.801SS**  -168.3145.2118.3-93.2-17.4000112.7
988E33.5Very low32.6Very low183 Ų183147.6 Ų147.686%0.85581%0.807SS**  trans-51.6161.9-176.2-65.9177.2168.700116.9
989A34.7Very low32.7Very low94 Ų94150 Ų15078%0.77781%0.805SS**  cis-167.5168.2-12.200000112
990D33.3Very low32.9Very low150 Ų150151 Ų15180%0.80280%0.8SS**  trans97.7119.6144.3-148.613.4000122.1
991S36.2Very low32.8Very low111 Ų111152.5 Ų152.578%0.77680%0.802SS**  trans50.213616275.50000120.1
992G31.7Very low32.7Very low82 Ų82152.1 Ų152.185%0.84580%0.802SS**  cis152.8127.8-2.200000109.4
993G31.9Very low33Very low77 Ų77147.3 Ų147.379%0.79479%0.791SS**  trans148.586.4174.200000118.4
994S33Very low32.9Very low105 Ų105146.6 Ų146.673%0.73479%0.787SS**  trans43.9111.4138.5-159.90000121.7
995R28.7Very low33Very low246 Ų246147.2 Ų147.293%0.92879%0.79SS**  trans-60.3125.4148.8-87.5169.6145.3140.1-9.6110.5
996Q32Very low33Very low175 Ų175145.6 Ų145.682%0.81879%0.786SS**  trans-159.9157.5148.4-112.416324.500112.6
997S32.1Very low33Very low80 Ų80147.2 Ų147.256%0.55979%0.79SS**  trans-27.9133.9-171.6-172.70000118.9E999S997-E999 VanDerWaalsContact C-N 3.35Å; S997-E999 WeakPolarHBondContact OG-CB 3.44Å; S997-E999 PolarHBondContact OG-N 2.63Å
998W28.2Very low32.9Very low226 Ų226148.6 Ų148.686%0.85679%0.791SS**SBendtrans-87.610.2172.6-79.794000114.4N1000 L1001W998-N1000 PolarHBondContact O-N 3.05Å; W998-L1001 HydrophobicContact CE3-CD1 4.42Å; W998-L1001 HydrophobicContact CZ3-CD1 4.2Å
999E31.4Very low33Very low168 Ų168145.3 Ų145.379%0.78578%0.783SS**THydrogen-bonded Turntrans-84.4-0.1-169.7-67.7-179.6135.800116S997S997-E999 VanDerWaalsContact C-N 3.35Å; S997-E999 WeakPolarHBondContact OG-CB 3.44Å; S997-E999 PolarHBondContact OG-N 2.63Å
1000N31.5Very low33Very low143 Ų143149.8 Ų149.877%0.76579%0.788SS**THydrogen-bonded Turntrans-122.919.3-168.9-86.7-26.2000117W998W998-N1000 PolarHBondContact O-N 3.05Å
1001L31.3Very low32.9Very low143 Ų143150.8 Ų150.875%0.74979%0.792SS**SBendtrans-102.811-179-86.7166.5000116.1W998W998-L1001 HydrophobicContact CE3-CD1 4.42Å; W998-L1001 HydrophobicContact CZ3-CD1 4.2Å
1002Y32.8Very low32.6Very low221 Ų221156.4 Ų156.487%0.86781%0.813SS**SBendtrans-120.78.6179.4-101.3-85.2000115.2
1003A34.8Very low32.7Very low65 Ų65160.1 Ų160.154%0.53781%0.811SS.*SBendtrans-96.3-16.4-171.800000116
1004N33.8Very low32.7Very low157 Ų157164.5 Ų164.584%0.8481%0.812SS**SBendtrans-108.927.8-168.3-78.3-3.2000115.4
1005Q35.1Very low32.7Very low187 Ų187167.8 Ų167.887%0.87482%0.816SS**SBendtrans-123.716.2173-78-169.9-21.100114
1006L35.2Very low32.9Very low142 Ų142163.2 Ų163.274%0.74381%0.81SS**SBendtrans-111.3-1-176.7-90.9158.5000115.4
1007E34.6Very low33Very low178 Ų178162.4 Ų162.483%0.83281%0.809SS**SBendtrans-104.814.9-175.9-71.2-170.5147.200115.4
1008Q34.6Very low33.1Very low188 Ų188167.9 Ų167.988%0.87983%0.826SS**SBendtrans-122.919.3178.1-71.8-166.3-12.300115
1009V35.3Very low33.4Very low114 Ų114163.8 Ų163.869%0.69182%0.823SS**SBendtrans-124.414.9-180-163.80000112.6
1010E35.8Very low33.6Very low187 Ų187163.5 Ų163.587%0.87483%0.826SS**SBendtrans-104.617.6172.8-73.2-165.9136.600113.7
1011L31.4Very low33.7Very low171 Ų171165.2 Ų165.290%0.89583%0.832SS**  trans-134.413.4-178.1-90.7166.3000115.1
1012L30.2Very low34Very low229 Ų229167.2 Ų167.2100%1.19984%0.839SS**  trans-1430171.7-76.8174.3000110.3

Retrieved 1,012 of 1,012 residues in 600.4 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).