G4VCA6_SCHMA Loading...

RNA-binding region-containing protein 3

AlphaFold DB , UniProt , Accession G4VCA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 525 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
1M43.9Very low78.4Confident155 Ų15573.3 Ų73.376%0.76435%0.345SS*.  0131.80-72.4177154.400108Q80 V82M1-Q80 HydrophobicContact SD-CG 4.42Å; M1-Q80 PolarHBondContact SD-NE2 2.81Å; M1-V82 HydrophobicContact CE-CG1 4.22Å; M1-V82 HydrophobicContact CE-CG2 4.43Å
2K49.5Very low79.2Confident187 Ų18775.8 Ų75.881%0.81336%0.357SS*.  trans-88.2119.4167.6-70.5177.2177.3177.80106.7
3S60.4Low79.9Confident50 Ų5070.1 Ų70.135%0.3533%0.33SS..  trans-68.7130.9162.638.30000107.9E5S3-E5 PolarHBondContact O-N 3.3Å; S3-E5 VanDerWaalsContact O-N 3.1Å
4D77.4Confident80.1Confident82 Ų8265.1 Ų65.144%0.43931%0.307SS..  trans-76.2100.2173.4-73.9-43.2000108.2R6 C7D4-R6 PolarHBondContact O-N 2.73Å; D4-C7 HydrophobicContact CB-CB 4.21Å; D4-C7 PolarHBondContact O-N 3.12Å
5E83.9Confident80.2Confident94 Ų9464.1 Ų64.144%0.43931%0.308SS..THydrogen-bonded Turntrans-66.67.8-172.5-63.6162.5146.700114.1S3 E54 A57 F78S3-E5 PolarHBondContact O-N 3.3Å; S3-E5 VanDerWaalsContact O-N 3.1Å; E5-E54 HydrophobicContact CB-CB 4.47Å; E5-E54 HydrophobicContact CB-CG 3.93Å; E5-E54 WeakPolarHBondContact O-CA 3.29Å; E5-A57 WeakPolarHBondContact O-CB 3.37Å; E5-F78 HydrophobicContact CB-CE1 4.36Å; E5-F78 WeakPolarHBondContact O-CE1 3.45Å
6R89.5Confident80.3Confident150 Ų15068.2 Ų68.257%0.56633%0.326SS*.THydrogen-bonded Turntrans-106.8-16173.8-60.6-177.8-169.9175.31.8113.4D4 F51D4-R6 PolarHBondContact O-N 2.73Å; R6-F51 PolarHBondContact O-N 3.32Å
7C91.6Very high80.5Confident14 Ų1465.8 Ų65.810%0.09532%0.315CS..EExtended strand (participates in β ladder)trans-105.2127.5-173.6-64.30000109.5D4 F48 F79D4-C7 HydrophobicContact CB-CB 4.21Å; D4-C7 PolarHBondContact O-N 3.12Å; C7-F48 HydrophobicContact CB-CE2 3.85Å; C7-F48 HydrophobicContact CB-CZ 4.06Å; C7-F79 HydrophobicContact CB-CB 3.75Å; C7-F79 HydrophobicContact CB-CD1 4.46Å; C7-F79 HydrophobicContact CB-CG 4.49Å; C7-F79 PolarHBondContact O-N 3.42Å
8L92.6Very high80.8Confident0 Ų064.8 Ų64.80%032%0.32CS..EExtended strand (participates in β ladder)trans-118.9142.9179.3-60.5-173.1000111.3F10 A49 F51 A57 I60 I61 V76 E77 F78L8-F10 HydrophobicContact CB-CD2 4.34Å; L8-F10 HydrophobicContact CB-CE2 3.65Å; L8-F10 HydrophobicContact CB-CZ 4.06Å; L8-F10 HydrophobicContact CD1-CE2 4.43Å; L8-F10 HydrophobicContact CD1-CZ 4Å; L8-A49 PolarHBondContact N-O 3.23Å; L8-A49 PolarHBondContact O-N 3.12Å; L8-F51 HydrophobicContact CB-CE2 4.09Å; L8-F51 HydrophobicContact CD1-CD2 4Å; L8-F51 HydrophobicContact CD1-CE2 3.6Å; L8-F51 HydrophobicContact CD1-CZ 4.48Å; L8-F51 HydrophobicContact CG-CD2 4.04Å; L8-F51 HydrophobicContact CG-CE2 3.89Å; L8-A57 HydrophobicContact CD1-CB 4.17Å; L8-A57 HydrophobicContact CD2-CB 4.11Å; L8-A57 HydrophobicContact CG-CB 4.1Å; L8-I60 HydrophobicContact CD1-CB 3.92Å; L8-I60 HydrophobicContact CD1-CG2 3.72Å; L8-I61 HydrophobicContact CD1-CG1 4.05Å; L8-I61 HydrophobicContact CD2-CD1 3.61Å; L8-I61 HydrophobicContact CD2-CG1 3.84Å; L8-V76 HydrophobicContact CB-CG1 4.23Å; L8-V76 HydrophobicContact CD1-CG1 3.82Å; L8-V76 HydrophobicContact CG-CG1 4.48Å; L8-E77 WeakPolarHBondContact CA-O 3.35Å; L8-F78 HydrophobicContact CD2-CD1 3.52Å; L8-F78 HydrophobicContact CD2-CE1 3.79Å; L8-F78 HydrophobicContact CD2-CG 4.19Å
9I92.1Very high81.2Confident16 Ų1667.1 Ų67.18%0.08233%0.329CS..EExtended strand (participates in β ladder)trans-107.9126.9164.7-169.7167.6000109.8K11 L43 A47 E77 F79I9-K11 HydrophobicContact CG1-CG 4.3Å; I9-L43 HydrophobicContact CD1-CD2 4.23Å; I9-A47 WeakPolarHBondContact CA-O 3.24Å; I9-E77 HydrophobicContact CG2-CB 4.01Å; I9-E77 PolarHBondContact N-O 3.06Å; I9-E77 PolarHBondContact O-N 2.88Å; I9-F79 HydrophobicContact CB-CD2 4.32Å
10F91.5Very high81.5Confident0 Ų070.2 Ų70.20%035%0.347CS..EExtended strand (participates in β ladder)trans-104.5117.2177.1-61.2-100.2000107.1L8 F13 L26 C46 A47 A49 F51 I60 L64 L74 S75 V76L8-F10 HydrophobicContact CB-CD2 4.34Å; L8-F10 HydrophobicContact CB-CE2 3.65Å; L8-F10 HydrophobicContact CB-CZ 4.06Å; L8-F10 HydrophobicContact CD1-CE2 4.43Å; L8-F10 HydrophobicContact CD1-CZ 4Å; F10-F13 HydrophobicContact CB-CD2 4.4Å; F10-F13 HydrophobicContact CB-CE2 3.54Å; F10-F13 HydrophobicContact CB-CZ 4.17Å; F10-F13 HydrophobicContact CG-CE2 4.4Å; F10-L26 HydrophobicContact CD1-CD2 4.2Å; F10-L26 HydrophobicContact CD2-CD2 3.79Å; F10-L26 HydrophobicContact CE1-CD2 3.98Å; F10-L26 HydrophobicContact CE2-CD2 3.58Å; F10-L26 HydrophobicContact CG-CD2 4.11Å; F10-L26 HydrophobicContact CZ-CD2 3.67Å; F10-C46 CarbonylContact O-C 3.27Å; F10-C46 WeakPolarHBondContact O-CA 3.19Å; F10-A47 HydrophobicContact CB-CB 4.39Å; F10-A47 PolarHBondContact N-O 2.75Å; F10-A47 PolarHBondContact O-N 2.98Å; F10-A49 HydrophobicContact CD2-CB 4.37Å; F10-A49 HydrophobicContact CE2-CB 3.67Å; F10-F51 HydrophobicContact CE2-CE2 4.12Å; F10-F51 HydrophobicContact CE2-CZ 4.31Å; F10-F51 AromaticContact CZ-CE2 3.98Å; F10-F51 HydrophobicContact CZ-CE2 3.98Å; F10-F51 AromaticContact CZ-CZ 3.91Å; F10-F51 HydrophobicContact CZ-CZ 3.91Å; F10-I60 HydrophobicContact CE1-CG2 3.75Å; F10-I60 HydrophobicContact CZ-CG2 3.7Å; F10-L64 HydrophobicContact CE1-CD2 4.12Å; F10-L74 HydrophobicContact CB-CD1 4.46Å; F10-L74 HydrophobicContact CD1-CD2 3.77Å; F10-L74 HydrophobicContact CD1-CG 4.44Å; F10-S75 CarbonylContact C-O 3.49Å; F10-S75 WeakPolarHBondContact CA-O 3.38Å; F10-V76 HydrophobicContact CD1-CB 4.26Å; F10-V76 HydrophobicContact CD1-CG1 3.8Å; F10-V76 HydrophobicContact CD1-CG2 3.53Å; F10-V76 HydrophobicContact CE1-CB 4.38Å; F10-V76 HydrophobicContact CE1-CG1 3.6Å; F10-V76 HydrophobicContact CE1-CG2 3.8Å; F10-V76 HydrophobicContact CG-CG1 4.34Å; F10-V76 HydrophobicContact CG-CG2 4.47Å; F10-V76 HydrophobicContact CZ-CG1 3.98Å
11K90.3Very high82Confident58 Ų5871.9 Ų71.925%0.25235%0.354SS..EExtended strand (participates in β ladder)trans-110.5156.4-179.8-48.3176.5-173.8162.40110.6I9 S75 E77I9-K11 HydrophobicContact CG1-CG 4.3Å; K11-S75 PolarHBondContact N-O 3.46Å; K11-S75 PolarHBondContact O-N 3.18Å; K11-E77 WeakPolarHBondContact CE-OE1 3.48Å; K11-E77 IonicContact NZ-OE1 2.61Å; K11-E77 PolarHBondContact NZ-OE1 3.29Å; K11-E77 IonicContact NZ-OE2 2.68Å; K11-E77 PolarHBondContact NZ-OE2 3.14Å
12H88Confident84.1Confident104 Ų10464.5 Ų64.548%0.48132%0.318SS..  trans66.940177.3-39123.1000114.8Y45 R72H12-Y45 PolarHBondContact N-O 2.78Å; H12-R72 WeakPolarHBondContact O-CB 3.44Å
13F87.8Confident86.1Confident1 Ų156.5 Ų56.50%0.00429%0.285CS..  trans-55.1147.4162.9-83.6-80.5000110.8F10 F25 Y36 Y45 A47 I69 R72 L74F10-F13 HydrophobicContact CB-CD2 4.4Å; F10-F13 HydrophobicContact CB-CE2 3.54Å; F10-F13 HydrophobicContact CB-CZ 4.17Å; F10-F13 HydrophobicContact CG-CE2 4.4Å; F13-F25 HydrophobicContact CE1-CD1 4.19Å; F13-F25 HydrophobicContact CE1-CE1 4.34Å; F13-F25 HydrophobicContact CZ-CD1 4.32Å; F13-F25 HydrophobicContact CZ-CE1 4.46Å; F13-Y36 HydrophobicContact CB-CE2 4.16Å; F13-Y36 HydrophobicContact CD2-CE2 4.15Å; F13-Y36 HydrophobicContact CG-CE2 4.29Å; F13-Y45 PolarHBondContact N-O 2.88Å; F13-Y45 VanDerWaalsContact O-CB 3.26Å; F13-Y45 WeakPolarHBondContact O-CB 3.49Å; F13-A47 HydrophobicContact CD2-CB 4.23Å; F13-A47 HydrophobicContact CE2-CB 3.59Å; F13-A47 HydrophobicContact CZ-CB 4.43Å; F13-I69 HydrophobicContact CE1-CD1 4.32Å; F13-R72 WeakPolarHBondContact O-CD 3.46Å; F13-R72 PolarHBondContact O-NH1 3.38Å; F13-L74 HydrophobicContact CD1-CD1 4Å; F13-L74 HydrophobicContact CD2-CD1 3.97Å; F13-L74 HydrophobicContact CE1-CD1 3.97Å; F13-L74 HydrophobicContact CE2-CD1 3.95Å; F13-L74 HydrophobicContact CG-CD1 4Å; F13-L74 HydrophobicContact CZ-CD1 3.94Å
14P83.5Confident87.6Confident1 Ų158.3 Ų58.31%0.00629%0.294CS..  trans-63.6141.1169-17.431.3000110.9E16 I17 I69 L70 R72P14-E16 WeakPolarHBondContact CB-OE2 3.36Å; P14-E16 PolarHBondContact O-N 2.93Å; P14-I17 HydrophobicContact CB-CD1 4.35Å; P14-I17 HydrophobicContact CB-CG1 4.2Å; P14-I17 HydrophobicContact CG-CD1 3.89Å; P14-I17 HydrophobicContact CG-CG1 4.29Å; P14-I17 PolarHBondContact O-N 3.32Å; P14-I69 HydrophobicContact CG-CB 4.11Å; P14-I69 HydrophobicContact CG-CG2 4.04Å; P14-I69 WeakPolarHBondContact CG-O 3.37Å; P14-L70 HydrophobicContact CB-CB 4.27Å; P14-L70 HydrophobicContact CB-CD1 3.87Å; P14-L70 HydrophobicContact CB-CG 4.43Å; P14-L70 HydrophobicContact CG-CB 4.11Å; P14-L70 HydrophobicContact CG-CD1 4.25Å; P14-L70 HydrophobicContact CG-CG 4.32Å; P14-R72 HydrophobicContact CG-CB 4.33Å
15P81.2Confident88.2Confident50 Ų5057.7 Ų57.733%0.32529%0.288SS..THydrogen-bonded Turntrans-69.6-14.4179.531.3-37.1000113.1I17 Y45P15-I17 VanDerWaalsContact C-N 3.31Å; P15-Y45 HydrophobicContact CB-CD1 4.17Å; P15-Y45 HydrophobicContact CB-CE1 3.43Å; P15-Y45 VanDerWaalsContact CB-CE1 3.43Å
16E82.6Confident88.6Confident129 Ų12953.3 Ų53.360%0.60327%0.267SS*.THydrogen-bonded Turntrans-76.6-17.6178.9-53.575.8-162.700112.8P14 L70P14-E16 WeakPolarHBondContact CB-OE2 3.36Å; P14-E16 PolarHBondContact O-N 2.93Å; E16-L70 HydrophobicContact CB-CD1 3.88Å; E16-L70 HydrophobicContact CG-CD1 4.31Å
17I83.4Confident88.7Confident28 Ų2852.1 Ų52.114%0.14427%0.266CS..SBendtrans-86.7127.1-177.3-57.9-172.1000110P14 P15 E21 C22 I69 L70P14-I17 HydrophobicContact CB-CD1 4.35Å; P14-I17 HydrophobicContact CB-CG1 4.2Å; P14-I17 HydrophobicContact CG-CD1 3.89Å; P14-I17 HydrophobicContact CG-CG1 4.29Å; P14-I17 PolarHBondContact O-N 3.32Å; P15-I17 VanDerWaalsContact C-N 3.31Å; I17-E21 HydrophobicContact CG2-CB 3.55Å; I17-C22 WeakPolarHBondContact CG2-SG 3.5Å; I17-I69 HydrophobicContact CD1-CG2 3.53Å; I17-L70 HydrophobicContact CG1-CD1 4.25Å
18A85.7Confident88.7Confident48 Ų4856 Ų5640%0.39729%0.294SS..  trans-70.4156.5178.600000112.2D20 E21 C22A18-D20 VanDerWaalsContact C-N 3.27Å; A18-D20 PolarHBondContact O-N 3.02Å; A18-E21 HydrophobicContact CB-CB 4.4Å; A18-E21 HydrophobicContact CB-CG 4.13Å; A18-E21 PolarHBondContact N-OE2 3.25Å; A18-E21 VanDerWaalsContact N-OE2 3.14Å; A18-E21 WeakPolarHBondContact O-CB 3.29Å; A18-E21 PolarHBondContact O-N 2.87Å; A18-C22 PolarHBondContact O-N 2.95Å
19E87.6Confident88.6Confident107 Ų10757.8 Ų57.850%0.530%0.303SS..Hα-helixtrans-54.4-44175.5170.2163.9-172.400112E21 C22 V23 Y36E19-E21 VanDerWaalsContact C-N 3.32Å; E19-E21 PolarHBondContact O-N 2.89Å; E19-C22 WeakPolarHBondContact O-CB 3.42Å; E19-C22 PolarHBondContact O-N 3Å; E19-V23 WeakPolarHBondContact O-CG2 3.37Å; E19-V23 PolarHBondContact O-N 3.46Å; E19-Y36 HydrophobicContact CB-CD1 3.83Å; E19-Y36 HydrophobicContact CG-CD1 4.09Å; E19-Y36 HydrophobicContact CG-CG 4.48Å
20D88.8Confident88.5Confident129 Ų12959 Ų5969%0.6932%0.32SS*.Hα-helixtrans-64-35.4177.7-65.8-43.5000112.4A18 T24A18-D20 VanDerWaalsContact C-N 3.27Å; A18-D20 PolarHBondContact O-N 3.02Å; D20-T24 WeakPolarHBondContact O-CB 3.17Å; D20-T24 VanDerWaalsContact O-CG2 3.29Å; D20-T24 WeakPolarHBondContact O-CG2 3.3Å; D20-T24 PolarHBondContact O-N 3.5Å; D20-T24 PolarHBondContact O-OG1 2.89Å
21E90.2Very high88.5Confident106 Ų10659.7 Ų59.750%0.49533%0.325SS..Hα-helixtrans-70.2-42.4175.9-68.3177165.300111.4I17 A18 E19 T24 F25I17-E21 HydrophobicContact CG2-CB 3.55Å; A18-E21 HydrophobicContact CB-CB 4.4Å; A18-E21 HydrophobicContact CB-CG 4.13Å; A18-E21 PolarHBondContact N-OE2 3.25Å; A18-E21 VanDerWaalsContact N-OE2 3.14Å; A18-E21 WeakPolarHBondContact O-CB 3.29Å; A18-E21 PolarHBondContact O-N 2.87Å; E19-E21 VanDerWaalsContact C-N 3.32Å; E19-E21 PolarHBondContact O-N 2.89Å; E21-T24 WeakPolarHBondContact CA-OG1 3.48Å; E21-T24 PolarHBondContact O-OG1 2.93Å; E21-T24 VanDerWaalsContact O-OG1 3.12Å; E21-F25 WeakPolarHBondContact O-CB 3.26Å; E21-F25 PolarHBondContact O-N 2.91Å
22C89.8Confident88.5Confident0 Ų061.5 Ų61.50%034%0.341CS..Hα-helixtrans-59.1-46.2171.6-78.10000111.9I17 A18 E19 F25 L26 Y36I17-C22 WeakPolarHBondContact CG2-SG 3.5Å; A18-C22 PolarHBondContact O-N 2.95Å; E19-C22 WeakPolarHBondContact O-CB 3.42Å; E19-C22 PolarHBondContact O-N 3Å; C22-F25 PolarHBondContact O-N 3.37Å; C22-L26 VanDerWaalsContact O-CG 3.29Å; C22-L26 WeakPolarHBondContact O-CG 3.42Å; C22-L26 PolarHBondContact O-N 2.88Å; C22-Y36 HydrophobicContact CB-CD2 3.88Å; C22-Y36 HydrophobicContact CB-CE2 4.29Å; C22-Y36 HydrophobicContact CB-CG 4.21Å
23V91.2Very high88.6Confident20 Ų2059.6 Ų59.612%0.12134%0.337CS..Hα-helixtrans-70.6-38.8-178.7171.40000111.6E19 L26 K27 A34E19-V23 WeakPolarHBondContact O-CG2 3.37Å; E19-V23 PolarHBondContact O-N 3.46Å; V23-L26 PolarHBondContact O-N 2.97Å; V23-K27 HydrophobicContact CG1-CD 4.1Å; V23-K27 WeakPolarHBondContact O-CB 2.98Å; V23-K27 VanDerWaalsContact O-CG 3.3Å; V23-K27 WeakPolarHBondContact O-CG 3.49Å; V23-K27 PolarHBondContact O-N 2.93Å; V23-A34 HydrophobicContact CG1-CB 4.37Å
24T91.9Very high88.8Confident88 Ų8860.5 Ų60.554%0.5435%0.345SS..Hα-helixtrans-69.4-37.1174.849.60000112.5D20 E21 K27 S28D20-T24 WeakPolarHBondContact O-CB 3.17Å; D20-T24 VanDerWaalsContact O-CG2 3.29Å; D20-T24 WeakPolarHBondContact O-CG2 3.3Å; D20-T24 PolarHBondContact O-N 3.5Å; D20-T24 PolarHBondContact O-OG1 2.89Å; E21-T24 WeakPolarHBondContact CA-OG1 3.48Å; E21-T24 PolarHBondContact O-OG1 2.93Å; E21-T24 VanDerWaalsContact O-OG1 3.12Å; T24-K27 PolarHBondContact O-N 2.72Å; T24-S28 PolarHBondContact O-N 2.88Å
25F90.4Very high89Confident69 Ų6965.4 Ų65.430%0.30337%0.368SS..Hα-helixtrans-59.3-47.3170.6175.3-105.9000111.8F13 E21 C22 K27 S28 L29 L64 I69F13-F25 HydrophobicContact CE1-CD1 4.19Å; F13-F25 HydrophobicContact CE1-CE1 4.34Å; F13-F25 HydrophobicContact CZ-CD1 4.32Å; F13-F25 HydrophobicContact CZ-CE1 4.46Å; E21-F25 WeakPolarHBondContact O-CB 3.26Å; E21-F25 PolarHBondContact O-N 2.91Å; C22-F25 PolarHBondContact O-N 3.37Å; F25-K27 VanDerWaalsContact C-N 3.35Å; F25-K27 PolarHBondContact O-N 3.22Å; F25-S28 PolarHBondContact O-N 3.44Å; F25-S28 PolarHBondContact O-OG 3.35Å; F25-L29 HydrophobicContact CD1-CD1 4.04Å; F25-L29 HydrophobicContact CE1-CD1 3.66Å; F25-L29 HydrophobicContact CE2-CD1 4.41Å; F25-L29 HydrophobicContact CZ-CD1 3.87Å; F25-L29 WeakPolarHBondContact O-CG 3.32Å; F25-L29 PolarHBondContact O-N 2.92Å; F25-L64 HydrophobicContact CE1-CD2 3.85Å; F25-L64 HydrophobicContact CZ-CD2 3.71Å; F25-I69 HydrophobicContact CE1-CD1 4.12Å; F25-I69 HydrophobicContact CZ-CD1 3.98Å
26L91.7Very high89.4Confident1 Ų163.5 Ų63.51%0.00535%0.354CS..Hα-helixtrans-65.8-36.8178-68.1168.1000112.6F10 C22 V23 L29 A31 A34 A47 A49F10-L26 HydrophobicContact CD1-CD2 4.2Å; F10-L26 HydrophobicContact CD2-CD2 3.79Å; F10-L26 HydrophobicContact CE1-CD2 3.98Å; F10-L26 HydrophobicContact CE2-CD2 3.58Å; F10-L26 HydrophobicContact CG-CD2 4.11Å; F10-L26 HydrophobicContact CZ-CD2 3.67Å; C22-L26 VanDerWaalsContact O-CG 3.29Å; C22-L26 WeakPolarHBondContact O-CG 3.42Å; C22-L26 PolarHBondContact O-N 2.88Å; V23-L26 PolarHBondContact O-N 2.97Å; L26-L29 HydrophobicContact CD2-CD1 4.39Å; L26-L29 WeakPolarHBondContact O-CB 3.33Å; L26-L29 PolarHBondContact O-N 3.3Å; L26-A31 HydrophobicContact CB-CB 4.34Å; L26-A31 WeakPolarHBondContact O-CB 3.48Å; L26-A31 PolarHBondContact O-N 3.4Å; L26-A31 VanDerWaalsContact O-N 3.15Å; L26-A34 HydrophobicContact CB-CB 3.73Å; L26-A34 HydrophobicContact CD1-CB 4.11Å; L26-A47 HydrophobicContact CD1-CB 3.55Å; L26-A49 HydrophobicContact CB-CB 4.39Å; L26-A49 HydrophobicContact CD1-CB 4.23Å; L26-A49 HydrophobicContact CD2-CB 4.04Å; L26-A49 HydrophobicContact CG-CB 4.45Å
27K92Very high89.4Confident125 Ų12560.5 Ų60.554%0.54334%0.339SS..Hα-helixtrans-65.9-37.9173.3-74.3171.4-179.9174.50112.6V23 T24 F25 L29 G30V23-K27 HydrophobicContact CG1-CD 4.1Å; V23-K27 WeakPolarHBondContact O-CB 2.98Å; V23-K27 VanDerWaalsContact O-CG 3.3Å; V23-K27 WeakPolarHBondContact O-CG 3.49Å; V23-K27 PolarHBondContact O-N 2.93Å; T24-K27 PolarHBondContact O-N 2.72Å; F25-K27 VanDerWaalsContact C-N 3.35Å; F25-K27 PolarHBondContact O-N 3.22Å; K27-L29 PolarHBondContact O-N 3.46Å; K27-G30 PolarHBondContact O-N 3.34Å
28S91.3Very high89.2Confident97 Ų9760 Ų6068%0.67834%0.341SS*.Hα-helixtrans-67.8-23.9176.177.50000112.9T24 F25 G30T24-S28 PolarHBondContact O-N 2.88Å; F25-S28 PolarHBondContact O-N 3.44Å; F25-S28 PolarHBondContact O-OG 3.35Å; S28-G30 VanDerWaalsContact C-N 3.25Å; S28-G30 PolarHBondContact O-N 3.18Å
29L89.5Confident88.8Confident37 Ų3761 Ų6119%0.19434%0.344CS..THydrogen-bonded Turntrans-79.61.6169.5-62.5169.1000113.8F25 L26 K27 F51 H56 I60 L64F25-L29 HydrophobicContact CD1-CD1 4.04Å; F25-L29 HydrophobicContact CE1-CD1 3.66Å; F25-L29 HydrophobicContact CE2-CD1 4.41Å; F25-L29 HydrophobicContact CZ-CD1 3.87Å; F25-L29 WeakPolarHBondContact O-CG 3.32Å; F25-L29 PolarHBondContact O-N 2.92Å; L26-L29 HydrophobicContact CD2-CD1 4.39Å; L26-L29 WeakPolarHBondContact O-CB 3.33Å; L26-L29 PolarHBondContact O-N 3.3Å; K27-L29 PolarHBondContact O-N 3.46Å; L29-F51 HydrophobicContact CB-CE1 4.39Å; L29-H56 PolarHBondContact O-NE2 3.2Å; L29-I60 HydrophobicContact CB-CD1 3.94Å; L29-I60 HydrophobicContact CD2-CD1 4.01Å; L29-I60 HydrophobicContact CG-CD1 4.39Å; L29-L64 HydrophobicContact CD1-CD2 3.47Å; L29-L64 VanDerWaalsContact CD1-CD2 3.47Å; L29-L64 HydrophobicContact CD2-CD1 4.25Å; L29-L64 HydrophobicContact CD2-CD2 4.39Å
30G90.9Very high88.1Confident42 Ų4260.7 Ų60.743%0.43335%0.354SS..THydrogen-bonded Turntrans83.725.7178.400000115.2K27 S28K27-G30 PolarHBondContact O-N 3.34Å; S28-G30 VanDerWaalsContact C-N 3.25Å; S28-G30 PolarHBondContact O-N 3.18Å
31A90.4Very high87.3Confident13 Ų1357 Ų5711%0.10735%0.346CS..EExtended strand (participates in β ladder)trans-70.1130.4170.900000111.7L26 A34 A49 E50 F51L26-A31 HydrophobicContact CB-CB 4.34Å; L26-A31 WeakPolarHBondContact O-CB 3.48Å; L26-A31 PolarHBondContact O-N 3.4Å; L26-A31 VanDerWaalsContact O-N 3.15Å; A31-A34 HydrophobicContact CB-CB 4.3Å; A31-A49 HydrophobicContact CB-CB 3.85Å; A31-E50 CarbonylContact C-O 3.59Å; A31-E50 WeakPolarHBondContact CA-O 3.36Å; A31-F51 HydrophobicContact CB-CD1 4.24Å; A31-F51 HydrophobicContact CB-CE1 3.81Å; A31-F51 HydrophobicContact CB-CZ 4.13Å
32T90.9Very high86.5Confident96 Ų9657.8 Ų57.859%0.58936%0.363SS*.EExtended strand (participates in β ladder)trans-68.7-46.6171.5-50.10000110.5E50T32-E50 PolarHBondContact N-O 2.68Å
33T90.1Very high85.9Confident64 Ų6461 Ų6139%0.39338%0.38SS..EExtended strand (participates in β ladder)trans-125.7133.4179.9-47.30000107.5A49 E50T33-A49 CarbonylContact O-C 3.54Å; T33-A49 VanDerWaalsContact O-CA 3.24Å; T33-A49 WeakPolarHBondContact O-CA 3.13Å; T33-E50 WeakPolarHBondContact CB-OE2 3.49Å; T33-E50 PolarHBondContact O-N 2.91Å; T33-E50 PolarHBondContact OG1-OE2 3Å
34A91Very high85.5Confident21 Ų2164.1 Ų64.117%0.17439%0.392CS..EExtended strand (participates in β ladder)trans-142.5129.6177.200000110.1V23 L26 A31 F48V23-A34 HydrophobicContact CG1-CB 4.37Å; L26-A34 HydrophobicContact CB-CB 3.73Å; L26-A34 HydrophobicContact CD1-CB 4.11Å; A31-A34 HydrophobicContact CB-CB 4.3Å; A34-F48 WeakPolarHBondContact CA-O 3.12Å
35Q89.1Confident85.2Confident104 Ų10462.1 Ų62.149%0.48638%0.375SS..EExtended strand (participates in β ladder)trans-139.7131.3-179.4-175.71761300109.9A47 F48Q35-A47 CarbonylContact O-C 3.49Å; Q35-A47 VanDerWaalsContact O-CA 3.28Å; Q35-A47 WeakPolarHBondContact O-CA 3.49Å; Q35-F48 PolarHBondContact N-O 2.81Å; Q35-F48 PolarHBondContact O-N 2.89Å
36Y88.8Confident85.2Confident9 Ų959.3 Ų59.34%0.03536%0.364CS..EExtended strand (participates in β ladder)trans-93.9138.6171.8-171.1-121.6000109.2F13 E19 C22 G38 C46 A47F13-Y36 HydrophobicContact CB-CE2 4.16Å; F13-Y36 HydrophobicContact CD2-CE2 4.15Å; F13-Y36 HydrophobicContact CG-CE2 4.29Å; E19-Y36 HydrophobicContact CB-CD1 3.83Å; E19-Y36 HydrophobicContact CG-CD1 4.09Å; E19-Y36 HydrophobicContact CG-CG 4.48Å; C22-Y36 HydrophobicContact CB-CD2 3.88Å; C22-Y36 HydrophobicContact CB-CE2 4.29Å; C22-Y36 HydrophobicContact CB-CG 4.21Å; Y36-G38 VanDerWaalsContact C-N 3.29Å; Y36-G38 VanDerWaalsContact CD1-N 3.35Å; Y36-G38 VanDerWaalsContact CE1-CA 3.48Å; Y36-C46 WeakPolarHBondContact CD2-O 3.44Å; Y36-A47 HydrophobicContact CD2-CB 4.06Å
37F82.8Confident85.1Confident66 Ų6659.2 Ų59.229%0.28936%0.363SS..  trans-88.43.7179-64.4-68.3000113.2L43 C46 F48F37-L43 HydrophobicContact CB-CB 3.73Å; F37-L43 WeakPolarHBondContact CB-O 3.22Å; F37-L43 HydrophobicContact CD1-CD1 4.02Å; F37-L43 HydrophobicContact CD2-CB 4.11Å; F37-L43 HydrophobicContact CD2-CD1 4.08Å; F37-L43 HydrophobicContact CE1-CD1 4.15Å; F37-L43 HydrophobicContact CE2-CD1 4.2Å; F37-L43 HydrophobicContact CG-CB 3.92Å; F37-L43 HydrophobicContact CG-CD1 3.99Å; F37-L43 HydrophobicContact CZ-CD1 4.23Å; F37-C46 HydrophobicContact CD2-CB 3.87Å; F37-C46 WeakPolarHBondContact CD2-O 3.36Å; F37-C46 PolarHBondContact N-O 2.84Å; F37-F48 HydrophobicContact CE2-CB 3.68Å; F37-F48 HydrophobicContact CZ-CB 3.7Å
38G79.4Confident85.2Confident18 Ų1855 Ų5519%0.18635%0.345CS..  trans80.8-175.5177.300000114.1Y36 S40 K44 Y45Y36-G38 VanDerWaalsContact C-N 3.29Å; Y36-G38 VanDerWaalsContact CD1-N 3.35Å; Y36-G38 VanDerWaalsContact CE1-CA 3.48Å; G38-S40 VanDerWaalsContact C-N 3.33Å; G38-K44 WeakPolarHBondContact O-CA 3.28Å; G38-Y45 PolarHBondContact O-N 2.95Å
39C78Confident85.2Confident68 Ų6850.3 Ų50.346%0.45931%0.312SS..SBendtrans-89.98.1-177.1-54.40000113.6Y45C39-Y45 HydrophobicContact CB-CD1 4.39Å; C39-Y45 HydrophobicContact CB-CE1 3.64Å
40S71.4Confident85.4Confident102 Ų10252 Ų5271%0.71332%0.319SS*.SBendtrans-133.2152.5-171-168.80000112.3G38G38-S40 VanDerWaalsContact C-N 3.33Å
41G73.1Confident85.5Confident51 Ų5150.1 Ų50.153%0.52630%0.299SS..SBendtrans88.4-174.7-177.900000114.8L43 K44G41-L43 PolarHBondContact O-N 2.82Å; G41-K44 WeakPolarHBondContact O-CB 3.47Å; G41-K44 WeakPolarHBondContact O-CG 3.38Å; G41-K44 PolarHBondContact O-N 3.15Å
42S73.7Confident85.5Confident122 Ų12253.4 Ų53.485%0.85333%0.326SS*.THydrogen-bonded Turntrans-68.7-23.9179.659.30000113.2K44S42-K44 VanDerWaalsContact C-N 3.33Å
43L76.5Confident85.4Confident68 Ų6851.2 Ų51.236%0.35632%0.315SS..THydrogen-bonded Turntrans-95.925.7174.1-59.8178.7000112.1I9 F37 G41 Y45 C46I9-L43 HydrophobicContact CD1-CD2 4.23Å; F37-L43 HydrophobicContact CB-CB 3.73Å; F37-L43 WeakPolarHBondContact CB-O 3.22Å; F37-L43 HydrophobicContact CD1-CD1 4.02Å; F37-L43 HydrophobicContact CD2-CB 4.11Å; F37-L43 HydrophobicContact CD2-CD1 4.08Å; F37-L43 HydrophobicContact CE1-CD1 4.15Å; F37-L43 HydrophobicContact CE2-CD1 4.2Å; F37-L43 HydrophobicContact CG-CB 3.92Å; F37-L43 HydrophobicContact CG-CD1 3.99Å; F37-L43 HydrophobicContact CZ-CD1 4.23Å; G41-L43 PolarHBondContact O-N 2.82Å; L43-Y45 PolarHBondContact O-N 2.92Å; L43-C46 HydrophobicContact CB-CB 4.15Å; L43-C46 VanDerWaalsContact O-CB 3.22Å; L43-C46 WeakPolarHBondContact O-CB 3.48Å; L43-C46 PolarHBondContact O-N 3.4Å
44K82.4Confident85.5Confident86 Ų8652 Ų5237%0.37431%0.314SS..THydrogen-bonded Turntrans-58.2130177.763.2-178.4-178.9177.10111.3G38 G41 S42 C46 E101G38-K44 WeakPolarHBondContact O-CA 3.28Å; G41-K44 WeakPolarHBondContact O-CB 3.47Å; G41-K44 WeakPolarHBondContact O-CG 3.38Å; G41-K44 PolarHBondContact O-N 3.15Å; S42-K44 VanDerWaalsContact C-N 3.33Å; K44-C46 PolarHBondContact O-N 2.75Å; K44-E101 IonicContact NZ-OE1 2.87Å; K44-E101 PolarHBondContact NZ-OE1 3.05Å
45Y85.3Confident85.5Confident46 Ų4658.7 Ų58.718%0.1834%0.342CS..THydrogen-bonded Turntrans59.128.1-175.2-39-74.1000113.7H12 F13 P15 G38 C39 L43H12-Y45 PolarHBondContact N-O 2.78Å; F13-Y45 PolarHBondContact N-O 2.88Å; F13-Y45 VanDerWaalsContact O-CB 3.26Å; F13-Y45 WeakPolarHBondContact O-CB 3.49Å; P15-Y45 HydrophobicContact CB-CD1 4.17Å; P15-Y45 HydrophobicContact CB-CE1 3.43Å; P15-Y45 VanDerWaalsContact CB-CE1 3.43Å; G38-Y45 PolarHBondContact O-N 2.95Å; C39-Y45 HydrophobicContact CB-CD1 4.39Å; C39-Y45 HydrophobicContact CB-CE1 3.64Å; L43-Y45 PolarHBondContact O-N 2.92Å
46C90Very high85.7Confident9 Ų957 Ų576%0.06133%0.334CS..  trans-101.8149.2169.3-61.40000110.7F10 Y36 F37 L43 K44F10-C46 CarbonylContact O-C 3.27Å; F10-C46 WeakPolarHBondContact O-CA 3.19Å; Y36-C46 WeakPolarHBondContact CD2-O 3.44Å; F37-C46 HydrophobicContact CD2-CB 3.87Å; F37-C46 WeakPolarHBondContact CD2-O 3.36Å; F37-C46 PolarHBondContact N-O 2.84Å; L43-C46 HydrophobicContact CB-CB 4.15Å; L43-C46 VanDerWaalsContact O-CB 3.22Å; L43-C46 WeakPolarHBondContact O-CB 3.48Å; L43-C46 PolarHBondContact O-N 3.4Å; K44-C46 PolarHBondContact O-N 2.75Å
47A91.1Very high85.9Confident0 Ų056.6 Ų56.60%033%0.332CS..EExtended strand (participates in β ladder)trans-128.6147.3166.400000110.3I9 F10 F13 L26 Q35 Y36I9-A47 WeakPolarHBondContact CA-O 3.24Å; F10-A47 HydrophobicContact CB-CB 4.39Å; F10-A47 PolarHBondContact N-O 2.75Å; F10-A47 PolarHBondContact O-N 2.98Å; F13-A47 HydrophobicContact CD2-CB 4.23Å; F13-A47 HydrophobicContact CE2-CB 3.59Å; F13-A47 HydrophobicContact CZ-CB 4.43Å; L26-A47 HydrophobicContact CD1-CB 3.55Å; Q35-A47 CarbonylContact O-C 3.49Å; Q35-A47 VanDerWaalsContact O-CA 3.28Å; Q35-A47 WeakPolarHBondContact O-CA 3.49Å; Y36-A47 HydrophobicContact CD2-CB 4.06Å
48F92.9Very high86.3Confident35 Ų3558.8 Ų58.815%0.15434%0.338CS..EExtended strand (participates in β ladder)trans-100.1137.4167.3173.9-94.8000109.1C7 A34 Q35 F37 E50 F79C7-F48 HydrophobicContact CB-CE2 3.85Å; C7-F48 HydrophobicContact CB-CZ 4.06Å; A34-F48 WeakPolarHBondContact CA-O 3.12Å; Q35-F48 PolarHBondContact N-O 2.81Å; Q35-F48 PolarHBondContact O-N 2.89Å; F37-F48 HydrophobicContact CE2-CB 3.68Å; F37-F48 HydrophobicContact CZ-CB 3.7Å; F48-E50 HydrophobicContact CE1-CB 4.2Å; F48-E50 HydrophobicContact CZ-CB 4.43Å; F48-F79 HydrophobicContact CD2-CB 4.42Å; F48-F79 HydrophobicContact CD2-CD1 4.49Å; F48-F79 AromaticContact CD2-CD2 3.89Å; F48-F79 HydrophobicContact CD2-CD2 3.89Å; F48-F79 HydrophobicContact CD2-CE2 4.26Å; F48-F79 HydrophobicContact CD2-CG 4.01Å; F48-F79 HydrophobicContact CE2-CB 4.1Å; F48-F79 AromaticContact CE2-CD1 3.88Å; F48-F79 HydrophobicContact CE2-CD1 3.88Å; F48-F79 HydrophobicContact CE2-CD2 4.1Å; F48-F79 HydrophobicContact CE2-CE1 4.32Å; F48-F79 AromaticContact CE2-CG 3.75Å; F48-F79 HydrophobicContact CE2-CG 3.75Å
49A92.9Very high86.9Confident0 Ų061.9 Ų61.90%035%0.351CS..EExtended strand (participates in β ladder)trans-140.9139.8166.600000112.4L8 F10 L26 A31 T33 F51L8-A49 PolarHBondContact N-O 3.23Å; L8-A49 PolarHBondContact O-N 3.12Å; F10-A49 HydrophobicContact CD2-CB 4.37Å; F10-A49 HydrophobicContact CE2-CB 3.67Å; L26-A49 HydrophobicContact CB-CB 4.39Å; L26-A49 HydrophobicContact CD1-CB 4.23Å; L26-A49 HydrophobicContact CD2-CB 4.04Å; L26-A49 HydrophobicContact CG-CB 4.45Å; A31-A49 HydrophobicContact CB-CB 3.85Å; T33-A49 CarbonylContact O-C 3.54Å; T33-A49 VanDerWaalsContact O-CA 3.24Å; T33-A49 WeakPolarHBondContact O-CA 3.13Å; A49-F51 HydrophobicContact CB-CE2 3.83Å; A49-F51 HydrophobicContact CB-CZ 3.94Å
50E92.9Very high87.6Confident73 Ų7359 Ų5934%0.34133%0.331SS..EExtended strand (participates in β ladder)trans-106.1133.2176.4-176-172.9-174.700109.3A31 T32 T33 F48A31-E50 CarbonylContact C-O 3.59Å; A31-E50 WeakPolarHBondContact CA-O 3.36Å; T32-E50 PolarHBondContact N-O 2.68Å; T33-E50 WeakPolarHBondContact CB-OE2 3.49Å; T33-E50 PolarHBondContact O-N 2.91Å; T33-E50 PolarHBondContact OG1-OE2 3Å; F48-E50 HydrophobicContact CE1-CB 4.2Å; F48-E50 HydrophobicContact CZ-CB 4.43Å
51F92.8Very high88.6Confident2 Ų255.4 Ų55.41%0.00930%0.303CS..EExtended strand (participates in β ladder)trans-116147.8-178.9-63.5-83.4000111.8R6 L8 F10 L29 A31 A49 S53 H56 A57 I60R6-F51 PolarHBondContact O-N 3.32Å; L8-F51 HydrophobicContact CB-CE2 4.09Å; L8-F51 HydrophobicContact CD1-CD2 4Å; L8-F51 HydrophobicContact CD1-CE2 3.6Å; L8-F51 HydrophobicContact CD1-CZ 4.48Å; L8-F51 HydrophobicContact CG-CD2 4.04Å; L8-F51 HydrophobicContact CG-CE2 3.89Å; F10-F51 HydrophobicContact CE2-CE2 4.12Å; F10-F51 HydrophobicContact CE2-CZ 4.31Å; F10-F51 AromaticContact CZ-CE2 3.98Å; F10-F51 HydrophobicContact CZ-CE2 3.98Å; F10-F51 AromaticContact CZ-CZ 3.91Å; F10-F51 HydrophobicContact CZ-CZ 3.91Å; L29-F51 HydrophobicContact CB-CE1 4.39Å; A31-F51 HydrophobicContact CB-CD1 4.24Å; A31-F51 HydrophobicContact CB-CE1 3.81Å; A31-F51 HydrophobicContact CB-CZ 4.13Å; A49-F51 HydrophobicContact CB-CE2 3.83Å; A49-F51 HydrophobicContact CB-CZ 3.94Å; F51-S53 PolarHBondContact O-N 2.94Å; F51-S53 VanDerWaalsContact O-N 3.15Å; F51-H56 AromaticContact CD1-CD2 3.38Å; F51-H56 WeakPolarHBondContact CD1-CD2 3.33Å; F51-H56 AromaticContact CD1-NE2 3.83Å; F51-H56 AromaticContact CG-CD2 3.94Å; F51-A57 HydrophobicContact CB-CB 4.47Å; F51-A57 HydrophobicContact CD2-CB 4.33Å; F51-I60 HydrophobicContact CE1-CG1 4.06Å; F51-I60 HydrophobicContact CZ-CG1 4.14Å; F51-I60 HydrophobicContact CZ-CG2 4.26Å
52A90Very high89.4Confident82 Ų8260.4 Ų60.468%0.67831%0.31SS*.SBendtrans-63.1-21.7-176.700000114.7
53S90.2Very high90.2Very high49 Ų4959 Ų5934%0.34329%0.293SS..  trans-142.4142.4-1781780000111.7F51 Q55 H56 A57F51-S53 PolarHBondContact O-N 2.94Å; F51-S53 VanDerWaalsContact O-N 3.15Å; S53-Q55 VanDerWaalsContact C-N 3.32Å; S53-Q55 PolarHBondContact O-N 2.77Å; S53-Q55 PolarHBondContact OG-N 2.89Å; S53-H56 WeakPolarHBondContact O-CB 3.48Å; S53-H56 PolarHBondContact O-N 2.99Å; S53-H56 VanDerWaalsContact O-N 3.16Å; S53-A57 PolarHBondContact O-N 2.82Å; S53-A57 VanDerWaalsContact O-N 3.1Å
54E91.9Very high90.9Very high82 Ų8256.3 Ų56.338%0.38328%0.279SS..Hα-helixtrans-56.6-43.9172.1168.8-170.9172.700111.8E5 H56 A57 W58E5-E54 HydrophobicContact CB-CB 4.47Å; E5-E54 HydrophobicContact CB-CG 3.93Å; E5-E54 WeakPolarHBondContact O-CA 3.29Å; E54-H56 PolarHBondContact O-N 3.09Å; E54-A57 PolarHBondContact O-N 2.93Å; E54-A57 VanDerWaalsContact O-N 3.12Å; E54-W58 PolarHBondContact O-N 3.16Å
55Q91.3Very high91.3Very high161 Ų16155.6 Ų55.675%0.75228%0.277SS*.Hα-helixtrans-59.2-34.3179.3-65.7-179.6-7.400111.4S53 N59S53-Q55 VanDerWaalsContact C-N 3.32Å; S53-Q55 PolarHBondContact O-N 2.77Å; S53-Q55 PolarHBondContact OG-N 2.89Å; Q55-N59 WeakPolarHBondContact O-CB 3.36Å; Q55-N59 PolarHBondContact O-N 3.45Å
56H91.8Very high91.4Very high68 Ų6858.5 Ų58.532%0.31529%0.293SS..Hα-helixtrans-72-45.6176.9-165.986.2000111.1L29 F51 S53 E54 W58 N59 I60L29-H56 PolarHBondContact O-NE2 3.2Å; F51-H56 AromaticContact CD1-CD2 3.38Å; F51-H56 WeakPolarHBondContact CD1-CD2 3.33Å; F51-H56 AromaticContact CD1-NE2 3.83Å; F51-H56 AromaticContact CG-CD2 3.94Å; S53-H56 WeakPolarHBondContact O-CB 3.48Å; S53-H56 PolarHBondContact O-N 2.99Å; S53-H56 VanDerWaalsContact O-N 3.16Å; E54-H56 PolarHBondContact O-N 3.09Å; H56-W58 VanDerWaalsContact C-N 3.33Å; H56-W58 PolarHBondContact O-N 3.39Å; H56-N59 WeakPolarHBondContact O-CB 3.39Å; H56-N59 PolarHBondContact O-N 2.84Å; H56-N59 VanDerWaalsContact O-N 3.09Å; H56-I60 WeakPolarHBondContact O-CG1 3.46Å; H56-I60 PolarHBondContact O-N 2.86Å
57A92.8Very high91.4Very high0 Ų064 Ų640%032%0.315CS..Hα-helixtrans-57.2-44.1173.800000112.2E5 L8 F51 S53 E54 N59 I60 I61 F78E5-A57 WeakPolarHBondContact O-CB 3.37Å; L8-A57 HydrophobicContact CD1-CB 4.17Å; L8-A57 HydrophobicContact CD2-CB 4.11Å; L8-A57 HydrophobicContact CG-CB 4.1Å; F51-A57 HydrophobicContact CB-CB 4.47Å; F51-A57 HydrophobicContact CD2-CB 4.33Å; S53-A57 PolarHBondContact O-N 2.82Å; S53-A57 VanDerWaalsContact O-N 3.1Å; E54-A57 PolarHBondContact O-N 2.93Å; E54-A57 VanDerWaalsContact O-N 3.12Å; A57-N59 PolarHBondContact O-N 3.1Å; A57-I60 PolarHBondContact O-N 3.12Å; A57-I61 PolarHBondContact O-N 3.15Å; A57-F78 HydrophobicContact CB-CE1 4.15Å
58W92.3Very high91.2Very high112 Ų11270.2 Ų70.242%0.42434%0.342SS..Hα-helixtrans-59.7-41.2172.5-94.4105000113.5E54 H56 I60 I61 K62 F78E54-W58 PolarHBondContact O-N 3.16Å; H56-W58 VanDerWaalsContact C-N 3.33Å; H56-W58 PolarHBondContact O-N 3.39Å; W58-I60 VanDerWaalsContact C-N 3.34Å; W58-I61 PolarHBondContact O-N 3.37Å; W58-K62 WeakPolarHBondContact O-CG 3.36Å; W58-K62 PolarHBondContact O-N 3.24Å; W58-F78 AromaticContact CD1-CZ 3.78Å; W58-F78 HydrophobicContact CD2-CE2 4.28Å; W58-F78 AromaticContact CD2-CZ 3.96Å; W58-F78 HydrophobicContact CD2-CZ 3.96Å; W58-F78 AromaticContact CE2-CE2 3.89Å; W58-F78 AromaticContact CE2-CZ 3.74Å; W58-F78 HydrophobicContact CG-CZ 4.01Å; W58-F78 HydrophobicContact CH2-CE2 4.47Å; W58-F78 HydrophobicContact CZ2-CE2 4.01Å; W58-F78 HydrophobicContact CZ2-CZ 4.33Å; W58-F78 AromaticContact NE1-CZ 3.62Å
59N92.2Very high90.8Very high83 Ų8370.2 Ų70.244%0.44434%0.343SS..Hα-helixtrans-66.7-37.4176.7-165.433.5000111.4Q55 H56 A57 K62 N63Q55-N59 WeakPolarHBondContact O-CB 3.36Å; Q55-N59 PolarHBondContact O-N 3.45Å; H56-N59 WeakPolarHBondContact O-CB 3.39Å; H56-N59 PolarHBondContact O-N 2.84Å; H56-N59 VanDerWaalsContact O-N 3.09Å; A57-N59 PolarHBondContact O-N 3.1Å; N59-K62 PolarHBondContact O-N 3.31Å; N59-N63 WeakPolarHBondContact O-CB 3.39Å; N59-N63 PolarHBondContact O-N 2.93Å; N59-N63 VanDerWaalsContact O-N 3.09Å; N59-N63 PolarHBondContact O-ND2 2.86Å; N59-N63 PolarHBondContact OD1-ND2 3.02Å
60I92.3Very high90.2Very high9 Ų975.2 Ų75.25%0.04637%0.37CS..Hα-helixtrans-64.8-46.2174.4-65.3-62.5000111.2L8 F10 L29 F51 H56 A57 W58 K62 N63 L64L8-I60 HydrophobicContact CD1-CB 3.92Å; L8-I60 HydrophobicContact CD1-CG2 3.72Å; F10-I60 HydrophobicContact CE1-CG2 3.75Å; F10-I60 HydrophobicContact CZ-CG2 3.7Å; L29-I60 HydrophobicContact CB-CD1 3.94Å; L29-I60 HydrophobicContact CD2-CD1 4.01Å; L29-I60 HydrophobicContact CG-CD1 4.39Å; F51-I60 HydrophobicContact CE1-CG1 4.06Å; F51-I60 HydrophobicContact CZ-CG1 4.14Å; F51-I60 HydrophobicContact CZ-CG2 4.26Å; H56-I60 WeakPolarHBondContact O-CG1 3.46Å; H56-I60 PolarHBondContact O-N 2.86Å; A57-I60 PolarHBondContact O-N 3.12Å; W58-I60 VanDerWaalsContact C-N 3.34Å; I60-K62 PolarHBondContact O-N 3.33Å; I60-N63 PolarHBondContact O-N 2.82Å; I60-L64 HydrophobicContact CD1-CD1 4.46Å; I60-L64 HydrophobicContact CG2-CD1 4.39Å; I60-L64 HydrophobicContact CG2-CD2 4.39Å; I60-L64 WeakPolarHBondContact O-CB 3.28Å; I60-L64 PolarHBondContact O-N 3.19Å
61I92.5Very high89.7Confident25 Ų2578.8 Ų78.813%0.12839%0.391CS..Hα-helixtrans-56.5-51.9174-68.4168.9000110.2L8 A57 W58 N63 L64 H65 V76 F78L8-I61 HydrophobicContact CD1-CG1 4.05Å; L8-I61 HydrophobicContact CD2-CD1 3.61Å; L8-I61 HydrophobicContact CD2-CG1 3.84Å; A57-I61 PolarHBondContact O-N 3.15Å; W58-I61 PolarHBondContact O-N 3.37Å; I61-N63 VanDerWaalsContact C-N 3.25Å; I61-N63 PolarHBondContact O-N 3.39Å; I61-L64 PolarHBondContact O-N 3Å; I61-H65 HydrophobicContact CG2-CB 4.19Å; I61-H65 WeakPolarHBondContact O-CB 3.37Å; I61-H65 PolarHBondContact O-N 3.26Å; I61-V76 HydrophobicContact CG1-CB 4.37Å; I61-V76 HydrophobicContact CG1-CG1 3.88Å; I61-F78 HydrophobicContact CD1-CD1 4.09Å; I61-F78 HydrophobicContact CD1-CD2 3.64Å; I61-F78 HydrophobicContact CD1-CE1 3.81Å; I61-F78 HydrophobicContact CD1-CE2 3.33Å; I61-F78 HydrophobicContact CD1-CG 4.01Å; I61-F78 HydrophobicContact CD1-CZ 3.42Å; I61-F78 VanDerWaalsContact CD1-CZ 3.42Å
62K90.7Very high89.3Confident156 Ų15683.1 Ų83.168%0.67841%0.407SS*.Hα-helixtrans-58.4-33.8-177.7-74.5176.1-178.9178.40113.8W58 N59 I60W58-K62 WeakPolarHBondContact O-CG 3.36Å; W58-K62 PolarHBondContact O-N 3.24Å; N59-K62 PolarHBondContact O-N 3.31Å; I60-K62 PolarHBondContact O-N 3.33Å
63N90.5Very high89.3Confident93 Ų9385.4 Ų85.450%0.49740%0.399SS..Hα-helixtrans-95.5-26.7-175.8-69.5-53.9000114.8N59 I60 I61N59-N63 WeakPolarHBondContact O-CB 3.39Å; N59-N63 PolarHBondContact O-N 2.93Å; N59-N63 VanDerWaalsContact O-N 3.09Å; N59-N63 PolarHBondContact O-ND2 2.86Å; N59-N63 PolarHBondContact OD1-ND2 3.02Å; I60-N63 PolarHBondContact O-N 2.82Å; I61-N63 VanDerWaalsContact C-N 3.25Å; I61-N63 PolarHBondContact O-N 3.39Å
64L90.4Very high89.3Confident11 Ų1183.2 Ų83.26%0.05838%0.383CS..Hα-helixtrans-108.5-23.3-175.7-82.675.1000113.9F10 F25 L29 I60 I61 Q66 K67 L74 V76F10-L64 HydrophobicContact CE1-CD2 4.12Å; F25-L64 HydrophobicContact CE1-CD2 3.85Å; F25-L64 HydrophobicContact CZ-CD2 3.71Å; L29-L64 HydrophobicContact CD1-CD2 3.47Å; L29-L64 VanDerWaalsContact CD1-CD2 3.47Å; L29-L64 HydrophobicContact CD2-CD1 4.25Å; L29-L64 HydrophobicContact CD2-CD2 4.39Å; I60-L64 HydrophobicContact CD1-CD1 4.46Å; I60-L64 HydrophobicContact CG2-CD1 4.39Å; I60-L64 HydrophobicContact CG2-CD2 4.39Å; I60-L64 WeakPolarHBondContact O-CB 3.28Å; I60-L64 PolarHBondContact O-N 3.19Å; I61-L64 PolarHBondContact O-N 3Å; L64-Q66 PolarHBondContact O-N 2.99Å; L64-K67 VanDerWaalsContact O-CB 3.28Å; L64-K67 WeakPolarHBondContact O-CB 3Å; L64-K67 PolarHBondContact O-N 2.93Å; L64-L74 HydrophobicContact CB-CD2 4.33Å; L64-L74 HydrophobicContact CD2-CD2 4.15Å; L64-V76 HydrophobicContact CB-CG2 3.87Å
65H89.6Confident89.3Confident71 Ų7180.2 Ų80.233%0.32937%0.371SS..THydrogen-bonded Turntrans-60.4127.1177.1-174.593.6000110I61 K67 V76I61-H65 HydrophobicContact CG2-CB 4.19Å; I61-H65 WeakPolarHBondContact O-CB 3.37Å; I61-H65 PolarHBondContact O-N 3.26Å; H65-K67 PolarHBondContact O-N 3.49Å; H65-V76 HydrophobicContact CB-CB 4.38Å; H65-V76 PolarHBondContact ND1-N 3.02Å; H65-V76 PolarHBondContact ND1-O 2.79Å
66Q89.2Confident89.4Confident108 Ų10872.6 Ų72.651%0.50534%0.336SS..THydrogen-bonded Turntrans62.36.3-172.5-64170.241.200116.7L64 L74L64-Q66 PolarHBondContact O-N 2.99Å; Q66-L74 WeakPolarHBondContact CA-O 3.44Å; Q66-L74 PolarHBondContact N-O 3.42Å
67K89.8Confident89.4Confident124 Ų12472.8 Ų72.854%0.53934%0.337SS..  trans-65.1136.7172.2-165.8171.4-172.9174.60109.4L64 H65 L74L64-K67 VanDerWaalsContact O-CB 3.28Å; L64-K67 WeakPolarHBondContact O-CB 3Å; L64-K67 PolarHBondContact O-N 2.93Å; H65-K67 PolarHBondContact O-N 3.49Å; K67-L74 PolarHBondContact O-N 3.09Å
68K87Confident89.3Confident130 Ų13075.2 Ų75.257%0.56535%0.347SS*.EExtended strand (participates in β ladder)trans-75.2130.8173.5-78.5-167.3168.5-158.10110.1R72 R73K68-R72 WeakPolarHBondContact CA-O 3.43Å; K68-R73 HydrophobicContact CG-CG 4.11Å
69I83.8Confident89.1Confident35 Ų3572.7 Ų72.718%0.17934%0.339CS..EExtended strand (participates in β ladder)trans-121.7119.7163.4-53-176.6000104.8F13 P14 I17 F25 D71 R72 L74F13-I69 HydrophobicContact CE1-CD1 4.32Å; P14-I69 HydrophobicContact CG-CB 4.11Å; P14-I69 HydrophobicContact CG-CG2 4.04Å; P14-I69 WeakPolarHBondContact CG-O 3.37Å; I17-I69 HydrophobicContact CD1-CG2 3.53Å; F25-I69 HydrophobicContact CE1-CD1 4.12Å; F25-I69 HydrophobicContact CZ-CD1 3.98Å; I69-D71 PolarHBondContact O-N 3.2Å; I69-R72 PolarHBondContact N-O 2.88Å; I69-R72 PolarHBondContact O-N 3.31Å; I69-R72 VanDerWaalsContact O-N 3.12Å; I69-R72 VanDerWaalsContact O-O 3.13Å; I69-L74 HydrophobicContact CD1-CD1 4.34Å; I69-L74 HydrophobicContact CD1-CD2 3.96Å
70L80.7Confident88.4Confident105 Ų10574.1 Ų74.155%0.5534%0.344SS..THydrogen-bonded Turntrans47.8-125.1-163.1-54.1177000109.5P14 E16 I17P14-L70 HydrophobicContact CB-CB 4.27Å; P14-L70 HydrophobicContact CB-CD1 3.87Å; P14-L70 HydrophobicContact CB-CG 4.43Å; P14-L70 HydrophobicContact CG-CB 4.11Å; P14-L70 HydrophobicContact CG-CD1 4.25Å; P14-L70 HydrophobicContact CG-CG 4.32Å; E16-L70 HydrophobicContact CB-CD1 3.88Å; E16-L70 HydrophobicContact CG-CD1 4.31Å; I17-L70 HydrophobicContact CG1-CD1 4.25Å
71D81.5Confident87Confident149 Ų14975.5 Ų75.580%0.79735%0.354SS*.THydrogen-bonded Turntrans-93.4-6.3-179.8-73.3-45.8000115.6I69I69-D71 PolarHBondContact O-N 3.2Å
72R84.1Confident85.1Confident92 Ų9278.1 Ų78.135%0.34737%0.371SS..EExtended strand (participates in β ladder)trans-98.5147.3179.6-65.5-166179.8170.6-3.7112.6H12 F13 P14 K68 I69H12-R72 WeakPolarHBondContact O-CB 3.44Å; F13-R72 WeakPolarHBondContact O-CD 3.46Å; F13-R72 PolarHBondContact O-NH1 3.38Å; P14-R72 HydrophobicContact CG-CB 4.33Å; K68-R72 WeakPolarHBondContact CA-O 3.43Å; I69-R72 PolarHBondContact N-O 2.88Å; I69-R72 PolarHBondContact O-N 3.31Å; I69-R72 VanDerWaalsContact O-N 3.12Å; I69-R72 VanDerWaalsContact O-O 3.13Å
73R90.9Very high82.6Confident131 Ų13179.5 Ų79.549%0.49438%0.38SS..EExtended strand (participates in β ladder)trans-92.7122.3169.8-71-178.1-179.8-119.84.7109.6K68K68-R73 HydrophobicContact CG-CG 4.11Å
74L90.3Very high80.1Confident2 Ų278.3 Ų78.31%0.0139%0.39CS..PPolyproline II helixtrans-69.7130.8176.5-157.170.2000110.1F10 F13 L64 Q66 K67 I69 V76F10-L74 HydrophobicContact CB-CD1 4.46Å; F10-L74 HydrophobicContact CD1-CD2 3.77Å; F10-L74 HydrophobicContact CD1-CG 4.44Å; F13-L74 HydrophobicContact CD1-CD1 4Å; F13-L74 HydrophobicContact CD2-CD1 3.97Å; F13-L74 HydrophobicContact CE1-CD1 3.97Å; F13-L74 HydrophobicContact CE2-CD1 3.95Å; F13-L74 HydrophobicContact CG-CD1 4Å; F13-L74 HydrophobicContact CZ-CD1 3.94Å; L64-L74 HydrophobicContact CB-CD2 4.33Å; L64-L74 HydrophobicContact CD2-CD2 4.15Å; Q66-L74 WeakPolarHBondContact CA-O 3.44Å; Q66-L74 PolarHBondContact N-O 3.42Å; K67-L74 PolarHBondContact O-N 3.09Å; I69-L74 HydrophobicContact CD1-CD1 4.34Å; I69-L74 HydrophobicContact CD1-CD2 3.96Å; L74-V76 HydrophobicContact CD2-CG2 3.94Å; L74-V76 HydrophobicContact CG-CG2 4.17Å
75S91.4Very high77.6Confident19 Ų1983.8 Ų83.813%0.13342%0.418CS..EExtended strand (participates in β ladder)trans-99.1117.6165.9-169.30000108.4F10 K11 E77F10-S75 CarbonylContact C-O 3.49Å; F10-S75 WeakPolarHBondContact CA-O 3.38Å; K11-S75 PolarHBondContact N-O 3.46Å; K11-S75 PolarHBondContact O-N 3.18Å; S75-E77 PolarHBondContact OG-OE1 3.46Å
76V92.9Very high74.8Confident2 Ų285.1 Ų85.11%0.01244%0.435CS..EExtended strand (participates in β ladder)trans-107.7125.6174.6-165.30000108.4L8 F10 I61 L64 H65 L74L8-V76 HydrophobicContact CB-CG1 4.23Å; L8-V76 HydrophobicContact CD1-CG1 3.82Å; L8-V76 HydrophobicContact CG-CG1 4.48Å; F10-V76 HydrophobicContact CD1-CB 4.26Å; F10-V76 HydrophobicContact CD1-CG1 3.8Å; F10-V76 HydrophobicContact CD1-CG2 3.53Å; F10-V76 HydrophobicContact CE1-CB 4.38Å; F10-V76 HydrophobicContact CE1-CG1 3.6Å; F10-V76 HydrophobicContact CE1-CG2 3.8Å; F10-V76 HydrophobicContact CG-CG1 4.34Å; F10-V76 HydrophobicContact CG-CG2 4.47Å; F10-V76 HydrophobicContact CZ-CG1 3.98Å; I61-V76 HydrophobicContact CG1-CB 4.37Å; I61-V76 HydrophobicContact CG1-CG1 3.88Å; L64-V76 HydrophobicContact CB-CG2 3.87Å; H65-V76 HydrophobicContact CB-CB 4.38Å; H65-V76 PolarHBondContact ND1-N 3.02Å; H65-V76 PolarHBondContact ND1-O 2.79Å; L74-V76 HydrophobicContact CD2-CG2 3.94Å; L74-V76 HydrophobicContact CG-CG2 4.17Å
77E91.7Very high72.1Confident72 Ų7285.5 Ų85.534%0.33645%0.45SS..EExtended strand (participates in β ladder)trans-135.7154.4-176.9-69.3164.1-128.600109.6L8 I9 K11 S75L8-E77 WeakPolarHBondContact CA-O 3.35Å; I9-E77 HydrophobicContact CG2-CB 4.01Å; I9-E77 PolarHBondContact N-O 3.06Å; I9-E77 PolarHBondContact O-N 2.88Å; K11-E77 WeakPolarHBondContact CE-OE1 3.48Å; K11-E77 IonicContact NZ-OE1 2.61Å; K11-E77 PolarHBondContact NZ-OE1 3.29Å; K11-E77 IonicContact NZ-OE2 2.68Å; K11-E77 PolarHBondContact NZ-OE2 3.14Å; S75-E77 PolarHBondContact OG-OE1 3.46Å
78F92.1Very high69.5Low51 Ų5183.5 Ų83.522%0.22445%0.448CS..EExtended strand (participates in β ladder)trans-66.3137.5170-73.2-71.2000110.5E5 L8 A57 W58 I61 Q80E5-F78 HydrophobicContact CB-CE1 4.36Å; E5-F78 WeakPolarHBondContact O-CE1 3.45Å; L8-F78 HydrophobicContact CD2-CD1 3.52Å; L8-F78 HydrophobicContact CD2-CE1 3.79Å; L8-F78 HydrophobicContact CD2-CG 4.19Å; A57-F78 HydrophobicContact CB-CE1 4.15Å; W58-F78 AromaticContact CD1-CZ 3.78Å; W58-F78 HydrophobicContact CD2-CE2 4.28Å; W58-F78 AromaticContact CD2-CZ 3.96Å; W58-F78 HydrophobicContact CD2-CZ 3.96Å; W58-F78 AromaticContact CE2-CE2 3.89Å; W58-F78 AromaticContact CE2-CZ 3.74Å; W58-F78 HydrophobicContact CG-CZ 4.01Å; W58-F78 HydrophobicContact CH2-CE2 4.47Å; W58-F78 HydrophobicContact CZ2-CE2 4.01Å; W58-F78 HydrophobicContact CZ2-CZ 4.33Å; W58-F78 AromaticContact NE1-CZ 3.62Å; I61-F78 HydrophobicContact CD1-CD1 4.09Å; I61-F78 HydrophobicContact CD1-CD2 3.64Å; I61-F78 HydrophobicContact CD1-CE1 3.81Å; I61-F78 HydrophobicContact CD1-CE2 3.33Å; I61-F78 HydrophobicContact CD1-CG 4.01Å; I61-F78 HydrophobicContact CD1-CZ 3.42Å; I61-F78 VanDerWaalsContact CD1-CZ 3.42Å; F78-Q80 PolarHBondContact O-N 3.46Å
79F86.8Confident66.8Low58 Ų5884.2 Ų84.225%0.25446%0.458SS..  trans-74.6110.1177.5-176.1-99.3000109.8C7 I9 F48 S81C7-F79 HydrophobicContact CB-CB 3.75Å; C7-F79 HydrophobicContact CB-CD1 4.46Å; C7-F79 HydrophobicContact CB-CG 4.49Å; C7-F79 PolarHBondContact O-N 3.42Å; I9-F79 HydrophobicContact CB-CD2 4.32Å; F48-F79 HydrophobicContact CD2-CB 4.42Å; F48-F79 HydrophobicContact CD2-CD1 4.49Å; F48-F79 AromaticContact CD2-CD2 3.89Å; F48-F79 HydrophobicContact CD2-CD2 3.89Å; F48-F79 HydrophobicContact CD2-CE2 4.26Å; F48-F79 HydrophobicContact CD2-CG 4.01Å; F48-F79 HydrophobicContact CE2-CB 4.1Å; F48-F79 AromaticContact CE2-CD1 3.88Å; F48-F79 HydrophobicContact CE2-CD1 3.88Å; F48-F79 HydrophobicContact CE2-CD2 4.1Å; F48-F79 HydrophobicContact CE2-CE1 4.32Å; F48-F79 AromaticContact CE2-CG 3.75Å; F48-F79 HydrophobicContact CE2-CG 3.75Å; F79-S81 PolarHBondContact O-N 3.25Å
80Q78.8Confident64.6Low114 Ų11489.5 Ų89.553%0.53349%0.485SS..  trans-81.5100.6172.1-174168.6-700108.9M1 F78 V82M1-Q80 HydrophobicContact SD-CG 4.42Å; M1-Q80 PolarHBondContact SD-NE2 2.81Å; F78-Q80 PolarHBondContact O-N 3.46Å; Q80-V82 PolarHBondContact O-N 2.85Å
81S62.2Low62.5Low37 Ų3792.2 Ų92.226%0.25950%0.495SS..  trans-63.2105.4172-168.10000109.4F79F79-S81 PolarHBondContact O-N 3.25Å
82V52.6Low59.9Low80 Ų8094.7 Ų94.749%0.48550%0.499SS..  trans-81.8118.1166.5-179.40000106.6M1 Q80 G84 L85M1-V82 HydrophobicContact CE-CG1 4.22Å; M1-V82 HydrophobicContact CE-CG2 4.43Å; Q80-V82 PolarHBondContact O-N 2.85Å; V82-G84 PolarHBondContact O-N 2.61Å; V82-L85 PolarHBondContact O-N 2.79Å
83E38.6Very low57.5Low185 Ų18596.9 Ų96.986%0.86452%0.523SS*.THydrogen-bonded Turntrans-57.498.2178.5-69172.1150.500109.5
84G36.6Very low54.8Low69 Ų6998.1 Ų98.171%0.71154%0.539SS*.THydrogen-bonded Turntrans159.7-26.8-170.500000114.8V82V82-G84 PolarHBondContact O-N 2.61Å
85L39.4Very low52.2Low125 Ų125103.6 Ų103.665%0.65458%0.575SS**  trans-107.79.4-179.2-77.1167.2000115.4V82 S87 V88V82-L85 PolarHBondContact O-N 2.79Å; L85-S87 PolarHBondContact O-N 2.96Å; L85-V88 HydrophobicContact CD2-CG2 3.77Å
86S30.1Very low49.5Very low99 Ų99108.6 Ų108.669%0.69260%0.6SS**THydrogen-bonded Turntrans-78.349.7179.257.40000113.9
87S33.3Very low47Very low116 Ų116116.3 Ų116.381%0.81163%0.633SS**THydrogen-bonded Turntrans-170.639.9166.7-82.50000113.2L85 N89L85-S87 PolarHBondContact O-N 2.96Å; S87-N89 PolarHBondContact O-N 3.47Å
88V35.3Very low44.6Very low83 Ų83118 Ų11850%0.50365%0.653SS.*  trans-79.670.3175.5-172.60000111L85 I90L85-V88 HydrophobicContact CD2-CG2 3.77Å; V88-I90 VanDerWaalsContact C-N 3.26Å; V88-I90 HydrophobicContact CG1-CB 4.29Å; V88-I90 HydrophobicContact CG1-CD1 3.52Å; V88-I90 HydrophobicContact CG1-CG1 3.65Å; V88-I90 PolarHBondContact O-N 3.22Å
89N29.2Very low41.9Very low145 Ų145124.7 Ų124.778%0.77568%0.682SS**  trans-87.164.3171.8-1601000109.5S87 Q91S87-N89 PolarHBondContact O-N 3.47Å; N89-Q91 PolarHBondContact O-N 3.44Å
90I37.9Very low39.8Very low145 Ų145130.9 Ų130.974%0.74471%0.712SS**  trans-88.8107-177.8-66179.6000109.6V88V88-I90 VanDerWaalsContact C-N 3.26Å; V88-I90 HydrophobicContact CG1-CB 4.29Å; V88-I90 HydrophobicContact CG1-CD1 3.52Å; V88-I90 HydrophobicContact CG1-CG1 3.65Å; V88-I90 PolarHBondContact O-N 3.22Å
91Q36.1Very low37.8Very low162 Ų162133 Ų13376%0.75772%0.722SS**  trans-70.6147.7172.9-62178.612.900110.8N89N89-Q91 PolarHBondContact O-N 3.44Å
92K27.8Very low36.4Very low201 Ų201137.3 Ų137.387%0.87475%0.75SS**  trans-60.4133.3178.5-61.2179.4173.7-172.90111.9
93T33.8Very low35.8Very low139 Ų139140.9 Ų140.985%0.85377%0.766SS**  trans-148.9147.115026.90000110.2
94D34.3Very low35.8Very low157 Ų157137.9 Ų137.984%0.8476%0.763SS**  trans-78.5163.6-156.1-73.8-71.9000116.7
95P35.1Very low36.1Very low117 Ų117140.1 Ų140.176%0.7676%0.762SS**  trans-95.2152.1-165.736.7-34.4000114
96D34.7Very low36.1Very low124 Ų124140.3 Ų140.366%0.66377%0.769SS**  trans-152121.5159.4-138.39.5000115.4
97K40.5Very low36.7Very low163 Ų163139.4 Ų139.471%0.70976%0.759SS**  trans64.4137.2151.8-68.5163.1-175.885.60123.6
98S40.4Very low37.1Very low107 Ų107141.1 Ų141.175%0.74876%0.759SS**  trans61.8108.1161.734.40000118.4
99K37.2Very low37.4Very low193 Ų193140.6 Ų140.684%0.83976%0.764SS**  58.5114.475.1-66.6-172.1177.1-170.90111.6
100E42.6Very low38.1Very low187 Ų187139.1 Ų139.187%0.87475%0.751SS**  cis-156.9171.242.7-113.1155.2-152.800112.9
101E36.2Very low38.5Very low158 Ų158135.8 Ų135.874%0.73874%0.74SS**  trans-89.1144.3-169.4-62.1-177.9119.900114.5K44K44-E101 IonicContact NZ-OE1 2.87Å; K44-E101 PolarHBondContact NZ-OE1 3.05Å
102C33.9Very low39.3Very low128 Ų128133.1 Ų133.187%0.86575%0.746SS**  trans-148.9137150.5-1600000111.1
103L39.1Very low40.4Very low155 Ų155130.6 Ų130.681%0.81274%0.739SS**  trans-81.6133.6-172.5-63.6164.2000111.5V105L103-V105 PolarHBondContact O-N 2.89Å
104P38.3Very low41.2Very low122 Ų122132 Ų13279%0.79273%0.729SS**  trans-76111172.530.1-31.8000110.3T106P104-T106 PolarHBondContact O-N 3.43Å
105V42.1Very low41.6Very low117 Ų117130.7 Ų130.771%0.70972%0.721SS**  trans-67.9123.7163.4178.20000107.7L103 T107L103-V105 PolarHBondContact O-N 2.89Å; V105-T107 VanDerWaalsContact C-N 3.25Å; V105-T107 HydrophobicContact CB-CG2 4.41Å; V105-T107 HydrophobicContact CG1-CG2 3.91Å; V105-T107 PolarHBondContact O-N 3.21Å
106T40.5Very low42.2Very low129 Ų129129.8 Ų129.879%0.79171%0.714SS**  trans-70.578.3174.826.70000111.2P104 N108P104-T106 PolarHBondContact O-N 3.43Å; T106-N108 PolarHBondContact O-N 3.21Å; T106-N108 VanDerWaalsContact O-N 3.08Å
107T43.2Very low43.1Very low79 Ų79127.9 Ų127.949%0.48571%0.711SS.*  trans-79.582.6173.754.50000110.7V105 A109V105-T107 VanDerWaalsContact C-N 3.25Å; V105-T107 HydrophobicContact CB-CG2 4.41Å; V105-T107 HydrophobicContact CG1-CG2 3.91Å; V105-T107 PolarHBondContact O-N 3.21Å; T107-A109 PolarHBondContact O-N 3Å
108N40.5Very low43.6Very low153 Ų153127.6 Ų127.682%0.81871%0.709SS**  trans-71.856.3166.1-72.23.9000110.7T106T106-N108 PolarHBondContact O-N 3.21Å; T106-N108 VanDerWaalsContact O-N 3.08Å
109A42.2Very low44.2Very low72 Ų72130.8 Ų130.860%0.59571%0.713SS**  trans-128.824.1-169.200000112.8T107T107-A109 PolarHBondContact O-N 3Å
110F43.2Very low45.1Very low114 Ų114125 Ų12550%0.569%0.693SS.*  trans-77140.5169.2-70.9-72.2000110.8
111S47.5Very low45.3Very low75 Ų75119.6 Ų119.652%0.52468%0.676SS.*  trans-61.9139.8174.3179.10000110.1M113 W114S111-M113 PolarHBondContact O-N 3.26Å; S111-W114 PolarHBondContact O-N 3.02Å
112A52.1Low46.5Very low106 Ų106118.3 Ų118.388%0.87669%0.685SS**THydrogen-bonded Turntrans-59.8-2.2-179.500000115.3
113M51Low47.9Very low147 Ų147122.9 Ų122.972%0.72468%0.684SS**THydrogen-bonded Turntrans-82.4-16.1173-157.8176.378.300113.3S111S111-M113 PolarHBondContact O-N 3.26Å
114W50.7Low49.4Very low170 Ų170121.1 Ų121.164%0.64467%0.673SS**SBendtrans-120110.8177.9-58.5-30.9000108.8S111 T116S111-W114 PolarHBondContact O-N 3.02Å; W114-T116 PolarHBondContact O-N 3.38Å
115D42.7Very low50.9Low128 Ų128125.7 Ų125.768%0.68468%0.676SS**  trans-55.8122.8-166.6-175.424.7000112.9S117D115-S117 PolarHBondContact O-N 3.1Å; D115-S117 WeakPolarHBondContact OD2-CB 3.43Å; D115-S117 PolarHBondContact OD2-OG 3.02Å
116T48.6Very low52.6Low99 Ų99126.6 Ų126.661%0.60767%0.667SS**THydrogen-bonded Turntrans-78.419-173.8-23.40000113.2W114W114-T116 PolarHBondContact O-N 3.38Å
117S53.1Low54.7Low84 Ų84129.8 Ų129.859%0.58767%0.673SS**THydrogen-bonded Turntrans-84.8-8.6-179.762.90000113.8D115 E119D115-S117 PolarHBondContact O-N 3.1Å; D115-S117 WeakPolarHBondContact OD2-CB 3.43Å; D115-S117 PolarHBondContact OD2-OG 3.02Å; S117-E119 PolarHBondContact O-N 3.38Å
118F49.9Very low56.7Low156 Ų156134.5 Ų134.568%0.68468%0.684SS**  trans-86.8104-174.9-147.3-90.7000112.4V120F118-V120 PolarHBondContact O-N 2.92Å
119E54.4Low59Low174 Ų174131.8 Ų131.881%0.81367%0.674SS**  trans-64.2103166.6-70.7-169.3154.200110S117 S121S117-E119 PolarHBondContact O-N 3.38Å; E119-S121 PolarHBondContact O-N 2.95Å
120V54.6Low61.1Low71 Ų71134.9 Ų134.943%0.4369%0.685SS.*  trans-67.1101.1177.2-177.60000109.1F118 S122F118-V120 PolarHBondContact O-N 2.92Å; V120-S122 PolarHBondContact O-N 3.03Å
121S47.5Very low63.2Low75 Ų75134.5 Ų134.552%0.52469%0.692SS.*  trans-53.9128178.8-76.50000111.3E119 R123 M124E119-S121 PolarHBondContact O-N 2.95Å; S121-R123 PolarHBondContact O-N 3.18Å; S121-M124 PolarHBondContact O-N 2.87Å
122S61.3Low65.1Low130 Ų130133.3 Ų133.391%0.90968%0.684SS**THydrogen-bonded Turntrans-67.115.7-169.2-36.80000116.4V120V120-S122 PolarHBondContact O-N 3.03Å
123R64Low66.8Low224 Ų224133.7 Ų133.785%0.84567%0.67SS**THydrogen-bonded Turntrans-122.82.3174.1-69-174175.8-173.3-1113.3S121 Y125S121-R123 PolarHBondContact O-N 3.18Å; R123-Y125 WeakPolarHBondContact O-CD2 3.32Å; R123-Y125 PolarHBondContact O-N 2.97Å
124M70.9Confident68.6Low118 Ų118132.1 Ų132.158%0.58166%0.664SS**  trans-78.7114.9173.6-70.7-170.3171.300110S121S121-M124 PolarHBondContact O-N 2.87Å
125Y69.9Low70.4Confident218 Ų218126.5 Ų126.586%0.85565%0.649SS**  trans-89.1135.5165.6-61.1-87.3000108.5R123 E127R123-Y125 WeakPolarHBondContact O-CD2 3.32Å; R123-Y125 PolarHBondContact O-N 2.97Å; Y125-E127 PolarHBondContact O-N 3.28Å
126Y76.9Confident72.7Confident137 Ų137123.5 Ų123.554%0.53763%0.632SS.*  trans-79.2107.8171.3-69.1-78.2000109.5Y128Y126-Y128 VanDerWaalsContact CB-CZ 3.47Å; Y126-Y128 HydrophobicContact CG-CE1 4.42Å; Y126-Y128 PolarHBondContact O-N 2.93Å
127E85.2Confident74.6Confident195 Ų195121.1 Ų121.191%0.91162%0.618SS**  trans-75.6101161.8-172.8172.2-172.300108Y125Y125-E127 PolarHBondContact O-N 3.28Å
128Y85.5Confident76.4Confident179 Ų179121.1 Ų121.170%0.70261%0.611SS**PPolyproline II helixtrans-79.1138.6176-64.2-71000110.3Y126Y126-Y128 VanDerWaalsContact CB-CZ 3.47Å; Y126-Y128 HydrophobicContact CG-CE1 4.42Å; Y126-Y128 PolarHBondContact O-N 2.93Å
129P88Confident78.4Confident95 Ų95117.3 Ų117.362%0.61760%0.597SS**PPolyproline II helixtrans-63.3151.7176.127.9-35.2000111.1
130V86.8Confident80.1Confident137 Ų137111.9 Ų111.983%0.8358%0.576SS**PPolyproline II helixtrans-55.6143173.9-178.10000110.1S132V130-S132 PolarHBondContact O-N 2.83Å
131V86.9Confident81.8Confident106 Ų106115.7 Ų115.764%0.64258%0.582SS**  trans-56.9109.7-179.1-176.90000110.5L136V131-L136 HydrophobicContact CG1-CD1 3.67Å; V131-L136 HydrophobicContact CG1-CD2 3.79Å; V131-L136 HydrophobicContact CG1-CG 3.65Å
132S87.2Confident83.9Confident50 Ų50115 Ų11535%0.3558%0.578SS.*  trans-109.8154.41721710000110.3V130 D134 V135 L136V130-S132 PolarHBondContact O-N 2.83Å; S132-D134 PolarHBondContact O-N 2.86Å; S132-D134 PolarHBondContact OG-N 3.29Å; S132-V135 WeakPolarHBondContact O-CB 3.36Å; S132-V135 PolarHBondContact O-N 2.69Å; S132-V135 VanDerWaalsContact O-N 3.08Å; S132-L136 PolarHBondContact O-N 3.5Å
133I86.9Confident85.4Confident115 Ų115110.6 Ų110.659%0.5954%0.544SS*.Hα-helixtrans-55.8-39174.7-60.2173.4000110.5L136 T137I133-L136 PolarHBondContact O-N 3.08Å; I133-T137 VanDerWaalsContact O-CB 3.27Å; I133-T137 WeakPolarHBondContact O-CB 3.27Å; I133-T137 PolarHBondContact O-N 2.94Å; I133-T137 PolarHBondContact O-OG1 2.92Å
134D88.8Confident86.6Confident113 Ų113104.1 Ų104.160%0.60454%0.538SS*.Hα-helixtrans-65.7-40.5177.4-60.9-53.3000112.2S132 T137 N138S132-D134 PolarHBondContact O-N 2.86Å; S132-D134 PolarHBondContact OG-N 3.29Å; D134-T137 PolarHBondContact O-N 2.91Å; D134-N138 WeakPolarHBondContact O-CB 3.48Å; D134-N138 PolarHBondContact O-N 3.28Å; D134-N138 PolarHBondContact O-ND2 2.61Å
135V90.1Very high87.7Confident53 Ų53103.3 Ų103.332%0.32154%0.544SS..Hα-helixtrans-65.4-48.6178.1175.70000109.9S132 T137 N138 I139S132-V135 WeakPolarHBondContact O-CB 3.36Å; S132-V135 PolarHBondContact O-N 2.69Å; S132-V135 VanDerWaalsContact O-N 3.08Å; V135-T137 VanDerWaalsContact C-N 3.35Å; V135-T137 PolarHBondContact O-N 3.45Å; V135-N138 PolarHBondContact O-N 2.8Å; V135-I139 HydrophobicContact CG1-CD1 3.9Å; V135-I139 VanDerWaalsContact O-CG1 3.3Å; V135-I139 WeakPolarHBondContact O-CG1 3.3Å; V135-I139 PolarHBondContact O-N 3.19Å
136L89.8Confident88.7Confident64 Ų6495.6 Ų95.634%0.33552%0.522SS..Hα-helixtrans-59.2-45174.8-69.3176.7000111.7V131 S132 I133 N138 I139 V140V131-L136 HydrophobicContact CG1-CD1 3.67Å; V131-L136 HydrophobicContact CG1-CD2 3.79Å; V131-L136 HydrophobicContact CG1-CG 3.65Å; S132-L136 PolarHBondContact O-N 3.5Å; I133-L136 PolarHBondContact O-N 3.08Å; L136-N138 VanDerWaalsContact C-N 3.32Å; L136-N138 PolarHBondContact O-N 3.24Å; L136-I139 PolarHBondContact O-N 2.75Å; L136-V140 WeakPolarHBondContact O-CG2 3.26Å; L136-V140 PolarHBondContact O-N 3.1Å
137T88.5Confident89.4Confident50 Ų5093.5 Ų93.531%0.30753%0.525SS..Hα-helixtrans-62.1-40.4179.1-57.70000111.3I133 D134 V135 V140 R141I133-T137 VanDerWaalsContact O-CB 3.27Å; I133-T137 WeakPolarHBondContact O-CB 3.27Å; I133-T137 PolarHBondContact O-N 2.94Å; I133-T137 PolarHBondContact O-OG1 2.92Å; D134-T137 PolarHBondContact O-N 2.91Å; V135-T137 VanDerWaalsContact C-N 3.35Å; V135-T137 PolarHBondContact O-N 3.45Å; T137-V140 PolarHBondContact O-N 3Å; T137-R141 VanDerWaalsContact CG2-CZ 3.46Å; T137-R141 WeakPolarHBondContact O-CB 3.37Å; T137-R141 VanDerWaalsContact O-CG 3.27Å; T137-R141 WeakPolarHBondContact O-CG 3.39Å; T137-R141 PolarHBondContact O-N 3.19Å
138N90.7Very high89.6Confident83 Ų8387.4 Ų87.444%0.44451%0.508SS..Hα-helixtrans-69.5-38.3176.2-71.5-23.8000112.5D134 V135 L136 R141 S142D134-N138 WeakPolarHBondContact O-CB 3.48Å; D134-N138 PolarHBondContact O-N 3.28Å; D134-N138 PolarHBondContact O-ND2 2.61Å; V135-N138 PolarHBondContact O-N 2.8Å; L136-N138 VanDerWaalsContact C-N 3.32Å; L136-N138 PolarHBondContact O-N 3.24Å; N138-R141 PolarHBondContact O-N 3.03Å; N138-R141 PolarHBondContact OD1-NH1 3.39Å; N138-S142 PolarHBondContact O-N 3.32Å; N138-S142 PolarHBondContact O-OG 3.02Å; N138-S142 VanDerWaalsContact O-OG 3.11Å
139I91.5Very high89.9Confident77 Ų7782.6 Ų82.640%0.39549%0.491SS..Hα-helixtrans-61.6-46172.7-68.5164.1000110.6V135 L136 R141 S142 L143V135-I139 HydrophobicContact CG1-CD1 3.9Å; V135-I139 VanDerWaalsContact O-CG1 3.3Å; V135-I139 WeakPolarHBondContact O-CG1 3.3Å; V135-I139 PolarHBondContact O-N 3.19Å; L136-I139 PolarHBondContact O-N 2.75Å; I139-R141 PolarHBondContact O-N 3.46Å; I139-S142 PolarHBondContact O-N 3.45Å; I139-L143 HydrophobicContact CG2-CD1 3.93Å; I139-L143 HydrophobicContact CG2-CG 4.43Å; I139-L143 WeakPolarHBondContact O-CG 3.39Å; I139-L143 PolarHBondContact O-N 3.24Å
140V90.8Very high90.2Very high60 Ų6082.3 Ų82.336%0.36448%0.478SS..Hα-helixtrans-63.5-40.9177.6171.70000111.7L136 T137 L143 A144 V178L136-V140 WeakPolarHBondContact O-CG2 3.26Å; L136-V140 PolarHBondContact O-N 3.1Å; T137-V140 PolarHBondContact O-N 3Å; V140-L143 PolarHBondContact O-N 3.22Å; V140-A144 WeakPolarHBondContact O-CB 3.4Å; V140-A144 PolarHBondContact O-N 3.27Å; V140-V178 HydrophobicContact CG1-CG1 4.23Å
141R89.9Confident90.5Very high150 Ų15079.6 Ų79.657%0.56646%0.459SS*.Hα-helixtrans-58.2-48.2171.6-74.2168.6-177.9147.20.2111.2T137 N138 I139 L143 A144 S145T137-R141 VanDerWaalsContact CG2-CZ 3.46Å; T137-R141 WeakPolarHBondContact O-CB 3.37Å; T137-R141 VanDerWaalsContact O-CG 3.27Å; T137-R141 WeakPolarHBondContact O-CG 3.39Å; T137-R141 PolarHBondContact O-N 3.19Å; N138-R141 PolarHBondContact O-N 3.03Å; N138-R141 PolarHBondContact OD1-NH1 3.39Å; I139-R141 PolarHBondContact O-N 3.46Å; R141-L143 PolarHBondContact O-N 3.43Å; R141-A144 PolarHBondContact O-N 3.13Å; R141-S145 WeakPolarHBondContact O-CB 3.28Å; R141-S145 PolarHBondContact O-N 2.92Å; R141-S145 PolarHBondContact O-OG 3.36Å
142S92.6Very high90.8Very high62 Ų6279.4 Ų79.443%0.43445%0.451SS..Hα-helixtrans-62.5-39.9178.3-65.40000113.1N138 I139 S145 C146N138-S142 PolarHBondContact O-N 3.32Å; N138-S142 PolarHBondContact O-OG 3.02Å; N138-S142 VanDerWaalsContact O-OG 3.11Å; I139-S142 PolarHBondContact O-N 3.45Å; S142-S145 PolarHBondContact O-N 3.49Å; S142-C146 WeakPolarHBondContact O-CB 3.47Å; S142-C146 PolarHBondContact O-N 2.85Å
143L92.5Very high91.1Very high37 Ų3779 Ų7919%0.19445%0.446CS..Hα-helixtrans-64.2-42.8174.6-73.3167.6000112I139 V140 R141 S145 F149 Y150 V153I139-L143 HydrophobicContact CG2-CD1 3.93Å; I139-L143 HydrophobicContact CG2-CG 4.43Å; I139-L143 WeakPolarHBondContact O-CG 3.39Å; I139-L143 PolarHBondContact O-N 3.24Å; V140-L143 PolarHBondContact O-N 3.22Å; R141-L143 PolarHBondContact O-N 3.43Å; L143-S145 VanDerWaalsContact C-N 3.32Å; L143-F149 HydrophobicContact CD2-CD1 3.55Å; L143-F149 HydrophobicContact CD2-CE1 3.56Å; L143-F149 HydrophobicContact CD2-CG 4.31Å; L143-F149 HydrophobicContact CD2-CZ 4.32Å; L143-F149 HydrophobicContact CG-CD1 4.04Å; L143-F149 HydrophobicContact CG-CE1 3.81Å; L143-Y150 HydrophobicContact CD2-CD2 4.38Å; L143-V153 HydrophobicContact CD2-CB 4.08Å; L143-V153 HydrophobicContact CD2-CG2 3.83Å
144A89.9Confident91.4Very high87 Ų8775.3 Ų75.372%0.71943%0.427SS*.Hα-helixtrans-67.7-31.5176.100000112.8V140 R141V140-A144 WeakPolarHBondContact O-CB 3.4Å; V140-A144 PolarHBondContact O-N 3.27Å; R141-A144 PolarHBondContact O-N 3.13Å
145S93.2Very high91.5Very high102 Ų10276.2 Ų76.271%0.71343%0.427SS*.Hα-helixtrans-83.5-27.1179.7-61.20000114.4R141 S142 L143R141-S145 WeakPolarHBondContact O-CB 3.28Å; R141-S145 PolarHBondContact O-N 2.92Å; R141-S145 PolarHBondContact O-OG 3.36Å; S142-S145 PolarHBondContact O-N 3.49Å; L143-S145 VanDerWaalsContact C-N 3.32Å
146C91.8Very high91.6Very high56 Ų5678 Ų7838%0.37844%0.435SS..  trans-124.496.6-174.1-173.40000112.6S142 A148 F149 Y150S142-C146 WeakPolarHBondContact O-CB 3.47Å; S142-C146 PolarHBondContact O-N 2.85Å; C146-A148 PolarHBondContact O-N 3.45Å; C146-F149 HydrophobicContact CB-CB 3.93Å; C146-F149 PolarHBondContact O-N 3.24Å; C146-F149 VanDerWaalsContact O-N 3.15Å; C146-Y150 PolarHBondContact O-N 2.86Å
147P91.2Very high91.6Very high93 Ų9376.6 Ų76.660%0.60443%0.426SS*.Hα-helixtrans-59.5-30178.9-26.735.6000114.5N151P147-N151 VanDerWaalsContact O-CG 3.23Å; P147-N151 PolarHBondContact O-N 3.5Å; P147-N151 PolarHBondContact O-ND2 3.46Å
148A89.1Confident91.7Very high67 Ų6780.2 Ų80.255%0.55444%0.444SS*.Hα-helixtrans-68.1-42.9176.800000111.9C146 N151 Q152C146-A148 PolarHBondContact O-N 3.45Å; A148-N151 PolarHBondContact O-N 3.08Å; A148-Q152 PolarHBondContact O-N 3.24Å
149F92.2Very high91.7Very high78 Ų7884.5 Ų84.534%0.34246%0.459SS..Hα-helixtrans-65.8-42174.7178.1-126.9000111.3L143 C146 N151 Q152 V153L143-F149 HydrophobicContact CD2-CD1 3.55Å; L143-F149 HydrophobicContact CD2-CE1 3.56Å; L143-F149 HydrophobicContact CD2-CG 4.31Å; L143-F149 HydrophobicContact CD2-CZ 4.32Å; L143-F149 HydrophobicContact CG-CD1 4.04Å; L143-F149 HydrophobicContact CG-CE1 3.81Å; C146-F149 HydrophobicContact CB-CB 3.93Å; C146-F149 PolarHBondContact O-N 3.24Å; C146-F149 VanDerWaalsContact O-N 3.15Å; F149-N151 PolarHBondContact O-N 3.41Å; F149-Q152 WeakPolarHBondContact O-CB 3.36Å; F149-Q152 PolarHBondContact O-N 3.4Å; F149-V153 HydrophobicContact CD2-CG2 4.35Å; F149-V153 HydrophobicContact CE2-CG2 3.93Å; F149-V153 HydrophobicContact CZ-CG2 4.04Å; F149-V153 PolarHBondContact O-N 3.49Å
150Y93.7Very high91.5Very high89 Ų8986.1 Ų86.135%0.34947%0.468SS..Hα-helixtrans-56.4-47.8173.1175.4-102.4000112.5L143 C146 Q152 V153 L154 F166L143-Y150 HydrophobicContact CD2-CD2 4.38Å; C146-Y150 PolarHBondContact O-N 2.86Å; Y150-Q152 PolarHBondContact O-N 3.22Å; Y150-V153 PolarHBondContact O-N 3.03Å; Y150-L154 HydrophobicContact CD1-CD1 4.13Å; Y150-L154 HydrophobicContact CE1-CD1 3.56Å; Y150-L154 HydrophobicContact CE1-CG 4.16Å; Y150-L154 HydrophobicContact CE2-CD2 4.44Å; Y150-L154 WeakPolarHBondContact O-CG 3.26Å; Y150-L154 PolarHBondContact O-N 3.28Å; Y150-F166 VanDerWaalsContact OH-CE1 3.23Å; Y150-F166 WeakPolarHBondContact OH-CE1 3.46Å; Y150-F166 WeakPolarHBondContact OH-CZ 3.43Å
151N93Very high91.3Very high80 Ų8091.8 Ų91.843%0.42849%0.49SS..Hα-helixtrans-62.4-39.9175.8-69.8-21000112.3P147 A148 F149 V153 L154 H155P147-N151 VanDerWaalsContact O-CG 3.23Å; P147-N151 PolarHBondContact O-N 3.5Å; P147-N151 PolarHBondContact O-ND2 3.46Å; A148-N151 PolarHBondContact O-N 3.08Å; F149-N151 PolarHBondContact O-N 3.41Å; N151-V153 VanDerWaalsContact C-N 3.35Å; N151-V153 PolarHBondContact O-N 3.28Å; N151-L154 PolarHBondContact O-N 2.81Å; N151-H155 PolarHBondContact O-CD2 2.89Å; N151-H155 PolarHBondContact O-N 2.94Å
152Q93.4Very high91Very high101 Ų10188.8 Ų88.847%0.47249%0.485SS..Hα-helixtrans-59.5-43.6172.6-87.8-177.8-24.500112A148 F149 Y150 L154 H155 I156A148-Q152 PolarHBondContact O-N 3.24Å; F149-Q152 WeakPolarHBondContact O-CB 3.36Å; F149-Q152 PolarHBondContact O-N 3.4Å; Y150-Q152 PolarHBondContact O-N 3.22Å; Q152-L154 PolarHBondContact O-N 2.88Å; Q152-H155 PolarHBondContact O-N 3.21Å; Q152-I156 VanDerWaalsContact O-CG1 3.26Å; Q152-I156 WeakPolarHBondContact O-CG1 3.35Å; Q152-I156 PolarHBondContact O-N 3.11Å
153V93.4Very high90.6Very high41 Ų4187.8 Ų87.825%0.24848%0.476CS..Hα-helixtrans-63.9-40.3176.5171.40000111.6L143 F149 Y150 N151 H155 I156 M157L143-V153 HydrophobicContact CD2-CB 4.08Å; L143-V153 HydrophobicContact CD2-CG2 3.83Å; F149-V153 HydrophobicContact CD2-CG2 4.35Å; F149-V153 HydrophobicContact CE2-CG2 3.93Å; F149-V153 HydrophobicContact CZ-CG2 4.04Å; F149-V153 PolarHBondContact O-N 3.49Å; Y150-V153 PolarHBondContact O-N 3.03Å; N151-V153 VanDerWaalsContact C-N 3.35Å; N151-V153 PolarHBondContact O-N 3.28Å; V153-H155 PolarHBondContact O-N 3.04Å; V153-I156 PolarHBondContact O-N 3.15Å; V153-M157 HydrophobicContact CG1-CG 4.43Å; V153-M157 HydrophobicContact CG1-SD 4.42Å; V153-M157 WeakPolarHBondContact O-CG 3.47Å; V153-M157 PolarHBondContact O-N 2.98Å
154L92.9Very high90.2Very high39 Ų3989.3 Ų89.320%0.20449%0.488CS..Hα-helixtrans-60-43172.1-65.3-178.4000112.5Y150 N151 Q152 M157 N158 P165 F166Y150-L154 HydrophobicContact CD1-CD1 4.13Å; Y150-L154 HydrophobicContact CE1-CD1 3.56Å; Y150-L154 HydrophobicContact CE1-CG 4.16Å; Y150-L154 HydrophobicContact CE2-CD2 4.44Å; Y150-L154 WeakPolarHBondContact O-CG 3.26Å; Y150-L154 PolarHBondContact O-N 3.28Å; N151-L154 PolarHBondContact O-N 2.81Å; Q152-L154 PolarHBondContact O-N 2.88Å; L154-M157 PolarHBondContact O-N 2.82Å; L154-N158 WeakPolarHBondContact O-CB 3.35Å; L154-N158 PolarHBondContact O-N 3.46Å; L154-P165 HydrophobicContact CD2-CG 3.41Å; L154-P165 VanDerWaalsContact CD2-CG 3.41Å; L154-F166 HydrophobicContact CD1-CE2 4.36Å; L154-F166 HydrophobicContact CD1-CZ 3.92Å; L154-F166 HydrophobicContact CD2-CE2 4.08Å; L154-F166 HydrophobicContact CD2-CZ 3.7Å; L154-F166 HydrophobicContact CG-CZ 4.49Å
155H91Very high90Very high131 Ų13187.8 Ų87.861%0.60647%0.471SS*.Hα-helixtrans-65.3-37.8176.1-69.4-51.3000112.3N151 Q152 V153 K159N151-H155 PolarHBondContact O-CD2 2.89Å; N151-H155 PolarHBondContact O-N 2.94Å; Q152-H155 PolarHBondContact O-N 3.21Å; V153-H155 PolarHBondContact O-N 3.04Å; H155-K159 VanDerWaalsContact O-CB 3.28Å; H155-K159 WeakPolarHBondContact O-CB 3.48Å; H155-K159 PolarHBondContact O-N 3.07Å
156I91.7Very high89.7Confident92 Ų9289.8 Ų89.847%0.47247%0.468SS..Hα-helixtrans-65.3-47.5174.7-69.8162000110.4Q152 V153 N158 K159 L160Q152-I156 VanDerWaalsContact O-CG1 3.26Å; Q152-I156 WeakPolarHBondContact O-CG1 3.35Å; Q152-I156 PolarHBondContact O-N 3.11Å; V153-I156 PolarHBondContact O-N 3.15Å; I156-N158 VanDerWaalsContact C-N 3.33Å; I156-N158 PolarHBondContact O-N 3.22Å; I156-K159 PolarHBondContact O-N 2.82Å; I156-K159 VanDerWaalsContact O-N 3.13Å; I156-L160 HydrophobicContact CG2-CD1 3.73Å; I156-L160 HydrophobicContact CG2-CG 4.27Å; I156-L160 WeakPolarHBondContact O-CB 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.5Å; I156-L160 PolarHBondContact O-N 3.01Å
157M90.5Very high89.1Confident33 Ų3392 Ų9216%0.16347%0.472CS..Hα-helixtrans-56.7-46.6176.4-72.1-177.573.100111.8V153 L154 K159 L160 H161 L162 P163 P165 F172V153-M157 HydrophobicContact CG1-CG 4.43Å; V153-M157 HydrophobicContact CG1-SD 4.42Å; V153-M157 WeakPolarHBondContact O-CG 3.47Å; V153-M157 PolarHBondContact O-N 2.98Å; L154-M157 PolarHBondContact O-N 2.82Å; M157-K159 PolarHBondContact O-N 2.77Å; M157-L160 CarbonylContact O-C 3.52Å; M157-L160 PolarHBondContact O-N 3.3Å; M157-H161 PolarHBondContact O-N 2.95Å; M157-L162 HydrophobicContact CB-CB 4.33Å; M157-L162 HydrophobicContact CE-CB 4.39Å; M157-L162 HydrophobicContact CG-CD1 4.24Å; M157-L162 PolarHBondContact O-N 3.17Å; M157-P163 WeakPolarHBondContact CE-O 3.48Å; M157-P165 HydrophobicContact CE-CB 4.03Å; M157-P165 HydrophobicContact CE-CG 4.06Å; M157-P165 HydrophobicContact SD-CB 4.26Å; M157-P165 HydrophobicContact SD-CG 3.91Å; M157-F172 HydrophobicContact CE-CE1 3.99Å; M157-F172 HydrophobicContact CE-CZ 4.25Å
158N90Very high88.4Confident126 Ų12693.3 Ų93.367%0.67447%0.474SS*.Hα-helixtrans-63.8-39176.3-177.376.8000112.5L154 I156 L160 H161L154-N158 WeakPolarHBondContact O-CB 3.35Å; L154-N158 PolarHBondContact O-N 3.46Å; I156-N158 VanDerWaalsContact C-N 3.33Å; I156-N158 PolarHBondContact O-N 3.22Å; N158-L160 VanDerWaalsContact C-N 3.33Å; N158-H161 PolarHBondContact O-N 3.49Å
159K90.7Very high87.6Confident174 Ų17494.9 Ų94.976%0.75748%0.479SS*.Hα-helixtrans-68.7-29.5176.4-173.7178.2179.9-176.80113H155 I156 M157 H161H155-K159 VanDerWaalsContact O-CB 3.28Å; H155-K159 WeakPolarHBondContact O-CB 3.48Å; H155-K159 PolarHBondContact O-N 3.07Å; I156-K159 PolarHBondContact O-N 2.82Å; I156-K159 VanDerWaalsContact O-N 3.13Å; M157-K159 PolarHBondContact O-N 2.77Å; K159-H161 VanDerWaalsContact C-N 3.3Å
160L88.1Confident86.5Confident111 Ų11199.9 Ų99.958%0.58150%0.503SS*.THydrogen-bonded Turntrans-87.45.2175.5-66.3177000113.1I156 M157 N158 L162I156-L160 HydrophobicContact CG2-CD1 3.73Å; I156-L160 HydrophobicContact CG2-CG 4.27Å; I156-L160 WeakPolarHBondContact O-CB 3.27Å; I156-L160 WeakPolarHBondContact O-CG 3.5Å; I156-L160 PolarHBondContact O-N 3.01Å; M157-L160 CarbonylContact O-C 3.52Å; M157-L160 PolarHBondContact O-N 3.3Å; N158-L160 VanDerWaalsContact C-N 3.33Å; L160-L162 HydrophobicContact CB-CD1 4.22Å; L160-L162 HydrophobicContact CB-CG 3.9Å; L160-L162 HydrophobicContact CD1-CD1 4.35Å; L160-L162 PolarHBondContact O-N 2.97Å
161H85.6Confident85.4Confident179 Ų179101 Ų10183%0.82951%0.512SS*.THydrogen-bonded Turntrans53.430.8-175.9-59.5-76.7000114.1M157 N158 K159M157-H161 PolarHBondContact O-N 2.95Å; N158-H161 PolarHBondContact O-N 3.49Å; K159-H161 VanDerWaalsContact C-N 3.3Å
162L84.6Confident84.3Confident87 Ų87100.5 Ų100.546%0.45551%0.506SS..PPolyproline II helixtrans-74.6153.2174-60.4179.4000110.5M157 L160M157-L162 HydrophobicContact CB-CB 4.33Å; M157-L162 HydrophobicContact CE-CB 4.39Å; M157-L162 HydrophobicContact CG-CD1 4.24Å; M157-L162 PolarHBondContact O-N 3.17Å; L160-L162 HydrophobicContact CB-CD1 4.22Å; L160-L162 HydrophobicContact CB-CG 3.9Å; L160-L162 HydrophobicContact CD1-CD1 4.35Å; L160-L162 PolarHBondContact O-N 2.97Å
163P84.2Confident83Confident40 Ų40101.8 Ų101.826%0.2652%0.523SS..PPolyproline II helixtrans-53.3141.3173.8-25.434.5000111.5M157 F172M157-P163 WeakPolarHBondContact CE-O 3.48Å; P163-F172 HydrophobicContact CB-CE1 4.18Å; P163-F172 HydrophobicContact CB-CE2 4.08Å; P163-F172 HydrophobicContact CB-CZ 3.81Å; P163-F172 VanDerWaalsContact O-CZ 3.26Å; P163-F172 WeakPolarHBondContact O-CZ 3.48Å
164P84.8Confident81.8Confident69 Ų69102.4 Ų102.445%0.44854%0.537SS..PPolyproline II helixtrans-60.7132.5175.7-22.733.7000110.9F166 E167 F172P164-F166 PolarHBondContact O-N 3.03Å; P164-E167 WeakPolarHBondContact O-CB 3.43Å; P164-E167 PolarHBondContact O-N 2.92Å; P164-F172 WeakPolarHBondContact O-CE2 3.45Å; P164-F172 WeakPolarHBondContact O-CZ 3.36Å
165P84.8Confident80.8Confident56 Ų56108.4 Ų108.436%0.36457%0.57SS.*THydrogen-bonded Turntrans-70.313.6-178.929.8-35.1000114.5L154 M157 F172L154-P165 HydrophobicContact CD2-CG 3.41Å; L154-P165 VanDerWaalsContact CD2-CG 3.41Å; M157-P165 HydrophobicContact CE-CB 4.03Å; M157-P165 HydrophobicContact CE-CG 4.06Å; M157-P165 HydrophobicContact SD-CB 4.26Å; M157-P165 HydrophobicContact SD-CG 3.91Å; P165-F172 HydrophobicContact CB-CZ 4.39Å
166F87.8Confident79.9Confident144 Ų144110.9 Ų110.963%0.63258%0.575SS**THydrogen-bonded Turntrans-117.4-0.5177.3-43.5-59.5000112.3Y150 L154 P164Y150-F166 VanDerWaalsContact OH-CE1 3.23Å; Y150-F166 WeakPolarHBondContact OH-CE1 3.46Å; Y150-F166 WeakPolarHBondContact OH-CZ 3.43Å; L154-F166 HydrophobicContact CD1-CE2 4.36Å; L154-F166 HydrophobicContact CD1-CZ 3.92Å; L154-F166 HydrophobicContact CD2-CE2 4.08Å; L154-F166 HydrophobicContact CD2-CZ 3.7Å; L154-F166 HydrophobicContact CG-CZ 4.49Å; P164-F166 PolarHBondContact O-N 3.03Å
167E78.4Confident78.9Confident102 Ų102113.5 Ų113.548%0.47759%0.589SS.*SBendtrans-81.6169.3172.2-161156.5-140.600110.2P164P164-E167 WeakPolarHBondContact O-CB 3.43Å; P164-E167 PolarHBondContact O-N 2.92Å
168D77.2Confident78.1Confident120 Ų120117.5 Ų117.564%0.64262%0.615SS**  trans-61.9140.1-176.3-72.6-53.8000111.3E170 Q171D168-E170 PolarHBondContact O-N 3.19Å; D168-Q171 PolarHBondContact O-N 3.01Å; D168-Q171 VanDerWaalsContact O-N 3.1Å
169P70.9Confident77.5Confident101 Ų101115.2 Ų115.266%0.65660%0.602SS**G310 helixtrans-64.8-18.6-170.825.6-35.3000114Q171 F172P169-Q171 PolarHBondContact O-N 3.45Å; P169-F172 PolarHBondContact O-N 3.44Å
170E70.8Confident76.8Confident182 Ų182109.4 Ų109.485%0.8558%0.583SS**G310 helixtrans-64.8-17.6176.1-62.2-179.6-169.200113D168D168-E170 PolarHBondContact O-N 3.19Å
171Q70.2Confident76.3Confident113 Ų113108.3 Ų108.353%0.52859%0.59SS.*G310 helixtrans-82.5-12.1176.4-108.971.4-1800113.7D168 P169D168-Q171 PolarHBondContact O-N 3.01Å; D168-Q171 VanDerWaalsContact O-N 3.1Å; P169-Q171 PolarHBondContact O-N 3.45Å
172F69.9Low76Confident69 Ų69102.8 Ų102.830%0.30357%0.572SS.*SBendtrans-92.3131.3-175.4-84.2-88.6000112.4M157 P163 P164 P165 P169 G174M157-F172 HydrophobicContact CE-CE1 3.99Å; M157-F172 HydrophobicContact CE-CZ 4.25Å; P163-F172 HydrophobicContact CB-CE1 4.18Å; P163-F172 HydrophobicContact CB-CE2 4.08Å; P163-F172 HydrophobicContact CB-CZ 3.81Å; P163-F172 VanDerWaalsContact O-CZ 3.26Å; P163-F172 WeakPolarHBondContact O-CZ 3.48Å; P164-F172 WeakPolarHBondContact O-CE2 3.45Å; P164-F172 WeakPolarHBondContact O-CZ 3.36Å; P165-F172 HydrophobicContact CB-CZ 4.39Å; P169-F172 PolarHBondContact O-N 3.44Å; F172-G174 PolarHBondContact O-N 3.4Å
173P65.2Low75.7Confident129 Ų129101.6 Ų101.684%0.83857%0.566SS**SBendtrans-75.387.7172.230.8-33.5000110.5
174G69.5Low75.5Confident53 Ų53106.3 Ų106.355%0.54658%0.58SS.*  trans169.8141.617000000115.1F172F172-G174 PolarHBondContact O-N 3.4Å
175D70.6Confident75.4Confident166 Ų166105.6 Ų105.689%0.88858%0.579SS**  trans-90.6-0.5-176.1-54.8-32.5000113.8L177D175-L177 PolarHBondContact O-N 2.98Å
176Y72.4Confident75.3Confident182 Ų182108.2 Ų108.271%0.71459%0.585SS**  trans-79.3113-174.9-74.6-78.7000112.4
177L71.1Confident75Confident147 Ų147104.8 Ų104.877%0.7757%0.572SS**  trans-92.5123.8170.9-69.8167.7000111D175 I179D175-L177 PolarHBondContact O-N 2.98Å; L177-I179 HydrophobicContact CB-CD1 4.46Å; L177-I179 HydrophobicContact CB-CG1 4.25Å
178V74.2Confident75.2Confident118 Ų118102.9 Ų102.972%0.71556%0.563SS**  trans-83.3114.2170.5-179.80000108.9V140V140-V178 HydrophobicContact CG1-CG1 4.23Å
179I75.8Confident75.4Confident78 Ų78100.9 Ų100.940%0.456%0.555SS.*  trans-111.5133.5-173.9-57.2177.8000109.2L177 D183 M187L177-I179 HydrophobicContact CB-CD1 4.46Å; L177-I179 HydrophobicContact CB-CG1 4.25Å; I179-D183 HydrophobicContact CG2-CB 3.53Å; I179-M187 HydrophobicContact CD1-CE 3.58Å; I179-M187 HydrophobicContact CD1-SD 4.01Å; I179-M187 HydrophobicContact CG2-CE 3.92Å
180S76.4Confident76Confident51 Ų51101.2 Ų101.236%0.35755%0.551SS.*  trans-67.9152.8178.486.90000110.9S182 D183 Y184S180-S182 PolarHBondContact O-N 3.02Å; S180-S182 VanDerWaalsContact O-N 3.11Å; S180-S182 PolarHBondContact OG-N 3.15Å; S180-S182 PolarHBondContact OG-OG 2.94Å; S180-D183 WeakPolarHBondContact CB-OD2 3.45Å; S180-D183 PolarHBondContact O-N 3.39Å; S180-D183 VanDerWaalsContact OG-CG 3.24Å; S180-D183 PolarHBondContact OG-N 3.39Å; S180-D183 VanDerWaalsContact OG-N 3.16Å; S180-D183 PolarHBondContact OG-OD2 3.27Å; S180-Y184 PolarHBondContact O-N 3.46Å
181A78.5Confident76.5Confident88 Ų8896.1 Ų96.173%0.72753%0.529SS*.Hα-helixtrans-55.9-31.1174.500000112.5A185A181-A185 PolarHBondContact O-N 3.26Å; A181-A185 VanDerWaalsContact O-N 3.07Å
182S78.4Confident77Confident63 Ų6393.5 Ų93.544%0.44152%0.518SS..Hα-helixtrans-69.9-32.4175.583.70000112.9S180 K186S180-S182 PolarHBondContact O-N 3.02Å; S180-S182 VanDerWaalsContact O-N 3.11Å; S180-S182 PolarHBondContact OG-N 3.15Å; S180-S182 PolarHBondContact OG-OG 2.94Å; S182-K186 VanDerWaalsContact O-CE 3.28Å; S182-K186 WeakPolarHBondContact O-CE 3.24Å; S182-K186 VanDerWaalsContact O-CG 3.3Å; S182-K186 WeakPolarHBondContact O-CG 3.45Å; S182-K186 PolarHBondContact O-N 3.28Å; S182-K186 PolarHBondContact OG-NZ 2.96Å
183D79.2Confident77.6Confident63 Ų6394.2 Ų94.234%0.33753%0.525SS..Hα-helixtrans-83-34.3178.4-60.3-50.1000110.9I179 S180 A185 K186 M187I179-D183 HydrophobicContact CG2-CB 3.53Å; S180-D183 WeakPolarHBondContact CB-OD2 3.45Å; S180-D183 PolarHBondContact O-N 3.39Å; S180-D183 VanDerWaalsContact OG-CG 3.24Å; S180-D183 PolarHBondContact OG-N 3.39Å; S180-D183 VanDerWaalsContact OG-N 3.16Å; S180-D183 PolarHBondContact OG-OD2 3.27Å; D183-A185 VanDerWaalsContact C-N 3.32Å; D183-A185 PolarHBondContact O-N 2.93Å; D183-K186 PolarHBondContact O-N 2.96Å; D183-K186 IonicContact OD1-NZ 2.89Å; D183-K186 PolarHBondContact OD1-NZ 3.39Å; D183-M187 WeakPolarHBondContact O-CG 3.25Å; D183-M187 PolarHBondContact O-N 3.41Å
184Y80.4Confident78.3Confident139 Ų13993.3 Ų93.355%0.54551%0.512SS..Hα-helixtrans-57.1-45167.3-172.2-86.8000111.4S180 K186 M187 Q188S180-Y184 PolarHBondContact O-N 3.46Å; Y184-K186 PolarHBondContact O-N 2.94Å; Y184-M187 HydrophobicContact CD2-CE 4.24Å; Y184-M187 PolarHBondContact O-N 3.29Å; Y184-Q188 HydrophobicContact CE1-CB 4.42Å; Y184-Q188 WeakPolarHBondContact O-CB 3.36Å; Y184-Q188 PolarHBondContact O-N 3.04Å; Y184-Q188 PolarHBondContact OH-OE1 3.35Å
185A81.4Confident78.7Confident53 Ų5395.6 Ų95.644%0.43851%0.509SS..Hα-helixtrans-63-37.5175.500000113.3A181 D183 T189A181-A185 PolarHBondContact O-N 3.26Å; A181-A185 VanDerWaalsContact O-N 3.07Å; D183-A185 VanDerWaalsContact C-N 3.32Å; D183-A185 PolarHBondContact O-N 2.93Å; A185-T189 WeakPolarHBondContact O-CG2 3.44Å; A185-T189 PolarHBondContact O-N 3Å; A185-T189 PolarHBondContact O-OG1 3.46Å
186K83.6Confident78.9Confident111 Ų11195.2 Ų95.248%0.48350%0.495SS..Hα-helixtrans-66.3-42.4173.3-67.2164.1-150156.20111.5S182 D183 Y184 T189 L190S182-K186 VanDerWaalsContact O-CE 3.28Å; S182-K186 WeakPolarHBondContact O-CE 3.24Å; S182-K186 VanDerWaalsContact O-CG 3.3Å; S182-K186 WeakPolarHBondContact O-CG 3.45Å; S182-K186 PolarHBondContact O-N 3.28Å; S182-K186 PolarHBondContact OG-NZ 2.96Å; D183-K186 PolarHBondContact O-N 2.96Å; D183-K186 IonicContact OD1-NZ 2.89Å; D183-K186 PolarHBondContact OD1-NZ 3.39Å; Y184-K186 PolarHBondContact O-N 2.94Å; K186-T189 PolarHBondContact O-OG1 3.05Å; K186-L190 VanDerWaalsContact O-CG 3.3Å; K186-L190 WeakPolarHBondContact O-CG 3.41Å; K186-L190 PolarHBondContact O-N 3.25Å
187M80.9Confident78.6Confident73 Ų7391.8 Ų91.836%0.3649%0.488SS..Hα-helixtrans-65.7-43176-69.4-169.8-45.500111.6I179 D183 Y184 T189 L190 I191I179-M187 HydrophobicContact CD1-CE 3.58Å; I179-M187 HydrophobicContact CD1-SD 4.01Å; I179-M187 HydrophobicContact CG2-CE 3.92Å; D183-M187 WeakPolarHBondContact O-CG 3.25Å; D183-M187 PolarHBondContact O-N 3.41Å; Y184-M187 HydrophobicContact CD2-CE 4.24Å; Y184-M187 PolarHBondContact O-N 3.29Å; M187-T189 PolarHBondContact O-N 3.01Å; M187-L190 PolarHBondContact O-N 3.41Å; M187-I191 WeakPolarHBondContact O-CB 3.38Å; M187-I191 VanDerWaalsContact O-CG1 3.25Å; M187-I191 WeakPolarHBondContact O-CG1 3.38Å; M187-I191 PolarHBondContact O-N 3.07Å
188Q83Confident78.2Confident62 Ų6287.9 Ų87.929%0.2947%0.473SS..Hα-helixtrans-60.4-47177.5-169.865.658.900111Y184 L190 I191 D192Y184-Q188 HydrophobicContact CE1-CB 4.42Å; Y184-Q188 WeakPolarHBondContact O-CB 3.36Å; Y184-Q188 PolarHBondContact O-N 3.04Å; Y184-Q188 PolarHBondContact OH-OE1 3.35Å; Q188-L190 VanDerWaalsContact C-N 3.31Å; Q188-L190 PolarHBondContact O-N 3.45Å; Q188-I191 PolarHBondContact O-N 3.39Å; Q188-I191 VanDerWaalsContact O-N 3.16Å; Q188-D192 PolarHBondContact NE2-OD1 3.3Å; Q188-D192 WeakPolarHBondContact O-CB 3.42Å; Q188-D192 PolarHBondContact O-N 2.83Å
189T81.4Confident77.5Confident77 Ų7789.2 Ų89.247%0.47247%0.47SS..Hα-helixtrans-64.6-32.8176.449.90000112.9A185 K186 M187 N193A185-T189 WeakPolarHBondContact O-CG2 3.44Å; A185-T189 PolarHBondContact O-N 3Å; A185-T189 PolarHBondContact O-OG1 3.46Å; K186-T189 PolarHBondContact O-OG1 3.05Å; M187-T189 PolarHBondContact O-N 3.01Å; T189-N193 VanDerWaalsContact O-CB 3.32Å; T189-N193 WeakPolarHBondContact O-CB 3.44Å; T189-N193 PolarHBondContact O-N 3.16Å; T189-N193 PolarHBondContact O-ND2 3.37Å
190L82.1Confident76.5Confident108 Ų10892.3 Ų92.357%0.56548%0.482SS*.Hα-helixtrans-67.5-42.9170.6-72.4170.5000112.4K186 M187 Q188 N193 I194K186-L190 VanDerWaalsContact O-CG 3.3Å; K186-L190 WeakPolarHBondContact O-CG 3.41Å; K186-L190 PolarHBondContact O-N 3.25Å; M187-L190 PolarHBondContact O-N 3.41Å; Q188-L190 VanDerWaalsContact C-N 3.31Å; Q188-L190 PolarHBondContact O-N 3.45Å; L190-N193 PolarHBondContact O-N 2.86Å; L190-I194 WeakPolarHBondContact O-CD1 3.47Å; L190-I194 VanDerWaalsContact O-CG1 3.24Å; L190-I194 WeakPolarHBondContact O-CG1 3.43Å; L190-I194 PolarHBondContact O-N 3.2Å
191I82.5Confident75.3Confident76 Ų7698 Ų9839%0.3950%0.503SS..Hα-helixtrans-62.4-47.7176.7-69.4161.7000110.2M187 Q188 N193 I194 Q195M187-I191 WeakPolarHBondContact O-CB 3.38Å; M187-I191 VanDerWaalsContact O-CG1 3.25Å; M187-I191 WeakPolarHBondContact O-CG1 3.38Å; M187-I191 PolarHBondContact O-N 3.07Å; Q188-I191 PolarHBondContact O-N 3.39Å; Q188-I191 VanDerWaalsContact O-N 3.16Å; I191-N193 VanDerWaalsContact C-N 3.3Å; I191-N193 PolarHBondContact O-N 2.82Å; I191-I194 PolarHBondContact O-N 2.82Å; I191-Q195 HydrophobicContact CG2-CG 4.42Å; I191-Q195 WeakPolarHBondContact O-CB 3.36Å; I191-Q195 WeakPolarHBondContact O-CG 3.5Å; I191-Q195 PolarHBondContact O-N 2.8Å
192D81.2Confident74.1Confident58 Ų58100 Ų10031%0.3150%0.502SS..Hα-helixtrans-61.6-39.4178.9-63.2-8.9000111.2Q188 Q195 R196Q188-D192 PolarHBondContact NE2-OD1 3.3Å; Q188-D192 WeakPolarHBondContact O-CB 3.42Å; Q188-D192 PolarHBondContact O-N 2.83Å; D192-Q195 PolarHBondContact O-N 3.48Å; D192-R196 WeakPolarHBondContact O-CG 3.49Å; D192-R196 PolarHBondContact O-N 3.18Å
193N81.6Confident72.6Confident83 Ų83103.2 Ų103.244%0.44451%0.514SS..Hα-helixtrans-66.4-42.7174.8-73.2-22.5000112.2T189 L190 I191 Q195 R196 L197T189-N193 VanDerWaalsContact O-CB 3.32Å; T189-N193 WeakPolarHBondContact O-CB 3.44Å; T189-N193 PolarHBondContact O-N 3.16Å; T189-N193 PolarHBondContact O-ND2 3.37Å; L190-N193 PolarHBondContact O-N 2.86Å; I191-N193 VanDerWaalsContact C-N 3.3Å; I191-N193 PolarHBondContact O-N 2.82Å; N193-Q195 VanDerWaalsContact C-N 3.34Å; N193-R196 PolarHBondContact O-N 3.43Å; N193-L197 WeakPolarHBondContact O-CG 3.42Å; N193-L197 PolarHBondContact O-N 3.19Å
194I79.2Confident70.7Confident111 Ų111108.1 Ų108.157%0.56954%0.54SS*.Hα-helixtrans-63.5-41.5175.6-69162.5000110.6L190 I191 R196 L197 S198L190-I194 WeakPolarHBondContact O-CD1 3.47Å; L190-I194 VanDerWaalsContact O-CG1 3.24Å; L190-I194 WeakPolarHBondContact O-CG1 3.43Å; L190-I194 PolarHBondContact O-N 3.2Å; I191-I194 PolarHBondContact O-N 2.82Å; I194-R196 VanDerWaalsContact C-N 3.33Å; I194-R196 PolarHBondContact O-N 3.02Å; I194-L197 PolarHBondContact O-N 3.33Å; I194-S198 PolarHBondContact O-N 3.43Å; I194-S198 PolarHBondContact O-OG 3.28Å
195Q79.2Confident68.9Low101 Ų101106.3 Ų106.347%0.47255%0.548SS..Hα-helixtrans-65.7-32.7176.9-73.2-176.314.300113I191 D192 N193 S198 K199I191-Q195 HydrophobicContact CG2-CG 4.42Å; I191-Q195 WeakPolarHBondContact O-CB 3.36Å; I191-Q195 WeakPolarHBondContact O-CG 3.5Å; I191-Q195 PolarHBondContact O-N 2.8Å; D192-Q195 PolarHBondContact O-N 3.48Å; N193-Q195 VanDerWaalsContact C-N 3.34Å; Q195-S198 WeakPolarHBondContact CA-OG 3.31Å; Q195-S198 PolarHBondContact O-OG 3.43Å; Q195-S198 VanDerWaalsContact O-OG 3.04Å; Q195-K199 WeakPolarHBondContact O-CG 3.23Å; Q195-K199 PolarHBondContact O-N 2.69Å
196R73.8Confident67Low158 Ų158107.7 Ų107.760%0.59657%0.567SS**Hα-helixtrans-68.1-51.4172.2-75.1175.3-176.7171.31.7111.7D192 N193 I194 S198 K199 E200D192-R196 WeakPolarHBondContact O-CG 3.49Å; D192-R196 PolarHBondContact O-N 3.18Å; N193-R196 PolarHBondContact O-N 3.43Å; I194-R196 VanDerWaalsContact C-N 3.33Å; I194-R196 PolarHBondContact O-N 3.02Å; R196-S198 VanDerWaalsContact C-N 3.3Å; R196-S198 PolarHBondContact O-N 3.39Å; R196-K199 PolarHBondContact O-N 3.44Å; R196-E200 PolarHBondContact O-N 3.38Å
197L67.7Low65Low109 Ų109108.1 Ų108.157%0.57158%0.584SS**Hα-helixtrans-55.6-44.1178.5-68.9167.8000112N193 I194 K199 E200 E201N193-L197 WeakPolarHBondContact O-CG 3.42Å; N193-L197 PolarHBondContact O-N 3.19Å; I194-L197 PolarHBondContact O-N 3.33Å; L197-K199 VanDerWaalsContact C-N 3.25Å; L197-K199 PolarHBondContact O-N 3.26Å; L197-E200 PolarHBondContact O-N 3.39Å; L197-E201 PolarHBondContact O-N 3.26Å
198S61.6Low63Low65 Ų65110.3 Ų110.346%0.45560%0.601SS.*Hα-helixtrans-67.6-17.7177.362.60000115.4I194 Q195 R196 N202I194-S198 PolarHBondContact O-N 3.43Å; I194-S198 PolarHBondContact O-OG 3.28Å; Q195-S198 WeakPolarHBondContact CA-OG 3.31Å; Q195-S198 PolarHBondContact O-OG 3.43Å; Q195-S198 VanDerWaalsContact O-OG 3.04Å; R196-S198 VanDerWaalsContact C-N 3.3Å; R196-S198 PolarHBondContact O-N 3.39Å; S198-N202 PolarHBondContact O-ND2 2.64Å
199K59.2Low61.3Low147 Ų147113 Ų11364%0.63963%0.627SS**Hα-helixtrans-91-28.6175.1-78.5176.1177.1174.50112.7Q195 R196 L197Q195-K199 WeakPolarHBondContact O-CG 3.23Å; Q195-K199 PolarHBondContact O-N 2.69Å; R196-K199 PolarHBondContact O-N 3.44Å; L197-K199 VanDerWaalsContact C-N 3.25Å; L197-K199 PolarHBondContact O-N 3.26Å
200E55Low59.7Low142 Ų142116.7 Ų116.766%0.66464%0.639SS**Hα-helixtrans-76-32.6178.6-72.7168.6-166.300111.9R196 L197 N202R196-E200 PolarHBondContact O-N 3.38Å; L197-E200 PolarHBondContact O-N 3.39Å; E200-N202 VanDerWaalsContact C-N 3.26Å; E200-N202 PolarHBondContact O-N 2.79Å
201E51.6Low58.2Low172 Ų172119.1 Ų119.180%0.80465%0.647SS**THydrogen-bonded Turntrans-74.4-5.1176.7-68.5-172.1156.300115.2L197L197-E201 PolarHBondContact O-N 3.26Å
202N52.2Low56.7Low129 Ų129124 Ų12469%0.6967%0.671SS**THydrogen-bonded Turntrans-116.712.1-174.4-77-70.4000115.2S198 E200S198-N202 PolarHBondContact O-ND2 2.64Å; E200-N202 VanDerWaalsContact C-N 3.26Å; E200-N202 PolarHBondContact O-N 2.79Å
203N47Very low54.8Low130 Ų130128.7 Ų128.770%0.69570%0.696SS**  trans-130.960174.5-72.3-72.2000112.4S205N203-S205 PolarHBondContact O-N 2.84Å
204D39.2Very low53.1Low166 Ų166132.6 Ų132.689%0.88872%0.716SS**  trans-77.185.7160.8179.527.4000110.5
205S44.3Very low51.4Low101 Ų101132 Ų13271%0.70672%0.721SS**  trans-167122.715662.40000110.3N203N203-S205 PolarHBondContact O-N 2.84Å
206G41.5Very low49.8Very low82 Ų82132.5 Ų132.585%0.84574%0.736SS**  trans-72.6168.1-161.400000118.4
207S40.9Very low48.7Very low120 Ų120128.5 Ų128.584%0.83974%0.744SS**  trans-158.9134.6134.4-1700000109.6
208V39.7Very low47.9Very low120 Ų120128.7 Ų128.773%0.72775%0.751SS**  trans-83.6135.5175.4-178.20000108.5E210V208-E210 HydrophobicContact CG1-CG 4.42Å
209S47.4Very low47.2Very low118 Ų118133.9 Ų133.983%0.82577%0.769SS**  trans-154.2113159.6-76.70000110
210E46.8Very low46.9Very low154 Ų154133 Ų13372%0.7278%0.781SS**  trans-69.8159-175.6-71.5152.1150.300113.9V208V208-E210 HydrophobicContact CG1-CG 4.42Å
211E51.2Low46.7Very low159 Ų159135.1 Ų135.174%0.74379%0.791SS**  trans64.6110142.2-70.2167.4-137.900121.5
212M51Low46.9Very low180 Ų180135.6 Ų135.689%0.88780%0.798SS**  -179.9127.495-103.6-179.1-118.100113.5
213D41.2Very low46.6Very low156 Ų156134 Ų13483%0.83480%0.803SS**  trans-78.2142.8160.2-76.9-59.2000111
214L46.4Very low46.8Very low165 Ų165133.9 Ų133.986%0.86481%0.812SS**  trans-160.7116.3143.8-82.4-162.5000109.9
215S43.2Very low47.5Very low98 Ų98133.1 Ų133.169%0.68581%0.808SS**  79.196.699.8-139.70000114.2
216S44.2Very low48.1Very low112 Ų112135.8 Ų135.878%0.78381%0.814SS**  89.2125.982.572.30000115.2
217G51.1Low48.6Very low73 Ų73138 Ų13875%0.75380%0.803SS**  trans-161.7144.4165.600000110.7
218P50.7Low48.9Very low113 Ų113139.5 Ų139.573%0.73479%0.794SS**  trans-120.2165.2-14231.5-13.7000116.5
219E46.7Very low49Very low175 Ų175142.3 Ų142.382%0.81880%0.799SS**  trans50.9120.4142.3-66.6171.2155.500121.3
220S52.8Low48.7Very low129 Ų129140.7 Ų140.790%0.90279%0.793SS**  trans-159100.8136.7-79.40000109.5
221E51Low48.5Very low185 Ų185139.2 Ų139.286%0.86480%0.795SS**  trans-84.8140.1170.6-62-163.6149.800111
222L56.4Low47.9Very low183 Ų183137.7 Ų137.796%0.95880%0.796SS**  trans-140.7113.4152.8-79.5179.9000108.5
223A45.4Very low47.1Very low96 Ų96135.2 Ų135.279%0.79380%0.795SS**  trans-92143.617700000111.4
224S52.4Low47Very low126 Ų126131.7 Ų131.788%0.88179%0.788SS**  trans-138.1124.1153.5-88.40000108.6
225D53.4Low46.9Very low150 Ų150131.3 Ų131.380%0.80278%0.782SS**  trans-57.5144.6175.5-96-45.3000112.8
226D56.2Low46.7Very low158 Ų158135 Ų13585%0.84579%0.785SS**  -161.4143.5107.7-124.4-40.6000112.1
227E52Low46.5Very low129 Ų129135.2 Ų135.260%0.60379%0.787SS**  trans-83.6138.8-165.6-42.917494.500114
228K48.8Very low46Very low151 Ų151139.4 Ų139.466%0.65779%0.791SS**  170.9121.4100.9-100.3134.8-164.81420115.4
229Q41.8Very low45.6Very low179 Ų179139.2 Ų139.284%0.83679%0.792SS**  trans63102135.4-65.7-179.31.100120.2
230A41Very low45.2Very low84 Ų84136.9 Ų136.969%0.69479%0.789SS**  111110.8108.300000119.1
231T42.4Very low44.6Very low122 Ų122142.1 Ų142.175%0.74879%0.789SS**  trans80.7107.3134.555.30000120.8
232T38.6Very low44Very low127 Ų127144.7 Ų144.778%0.77979%0.791SS**  trans61.3112131.658.90000118.8
233C34.1Very low43.1Very low128 Ų128147.2 Ų147.287%0.86579%0.788SS**  88.5149.965.4-168.40000113.6
234A38.3Very low42.7Very low82 Ų82153 Ų15368%0.67880%0.796SS**  trans79.385.6173.500000119.3
235Q44Very low42.1Very low157 Ų157156 Ų15673%0.73479%0.793SS**  26.4115.5112-64.2-173.3-0.500118.9
236K39.3Very low41.3Very low176 Ų176155.2 Ų155.277%0.76579%0.793SS**  158.9156100.8-99.2144.1-177.3170.30115.2
237S40.1Very low40.5Very low117 Ų117158.9 Ų158.982%0.81880%0.795SS**  trans69.9110.6158.862.40000119.3
238I40Very low40Very low161 Ų161161.9 Ų161.983%0.82681%0.806SS**  trans-71.9137.3161.6-67.9156.8000109.1V240I238-V240 HydrophobicContact CG2-CG2 4.26Å
239S42.9Very low39.8Very low108 Ų108164.6 Ų164.676%0.75582%0.818SS**  trans-133.7112.9162.1-176.60000110.1R241S239-R241 PolarHBondContact O-N 3.37Å
240V37.9Very low39.7Very low127 Ų127161.4 Ų161.477%0.7781%0.812SS**  trans-73.9116.8179176.10000109.7I238I238-V240 HydrophobicContact CG2-CG2 4.26Å
241R41.8Very low40.4Very low238 Ų238163.6 Ų163.690%0.89882%0.82SS**  trans-137.6116.5155.6-77.5-163.6171.6-172.7-2.8112S239S239-R241 PolarHBondContact O-N 3.37Å
242R36.7Very low40.3Very low240 Ų240163.9 Ų163.991%0.90682%0.821SS**  trans-48.6134.1166.5-68173.5167.2125.4-9110.7
243R39.3Very low40.4Very low236 Ų236163.3 Ų163.389%0.89182%0.818SS**  trans-165.8102151.8-108.7162.4-166.3-167.23.9111K245R243-K245 PolarHBondContact O-N 2.85Å
244F35.1Very low40.8Very low218 Ų218166 Ų16696%0.95682%0.822SS**  trans-58.9122.4159.5-76.7-90.3000108.9
245K40.8Very low40.8Very low189 Ų189167.1 Ų167.182%0.82283%0.825SS**  trans-152.3104.7162.7-127.6162.3-173172.30112.6R243 R247R243-K245 PolarHBondContact O-N 2.85Å; K245-R247 PolarHBondContact O-N 3.3Å
246V36.1Very low40.7Very low133 Ų133164.9 Ų164.981%0.80683%0.827SS**  trans-49.5126.8166.51760000110.1
247R39.1Very low40.7Very low234 Ų234167.4 Ų167.488%0.88383%0.832SS**  trans-134.1111.1160.4-64.1-16887.8178.55.3110.3K245K245-R247 PolarHBondContact O-N 3.3Å
248K42.7Very low41.1Very low193 Ų193169 Ų16984%0.83983%0.83SS**PPolyproline II helixtrans-66.9138.4164.2-64.6177.2176.5178.90108.7
249K44.6Very low41.1Very low208 Ų208166.3 Ų166.390%0.90482%0.823SS**PPolyproline II helixtrans-84.6130.4163.1-65.6-178.9179.9179.70109.1
250P39.4Very low40.9Very low111 Ų111172.7 Ų172.772%0.72183%0.831SS**PPolyproline II helixtrans-98.5143.1155.934.8-27.8000110.3
251P55Low41.3Very low131 Ų131173.2 Ų173.285%0.85183%0.834SS**PPolyproline II helixtrans-85154.9163.133.6-30.9000111.4
252T41.6Very low41.5Very low128 Ų128166.6 Ų166.679%0.78582%0.824SS**PPolyproline II helixtrans-99.4130.1-165.2-68.80000112.4
253V39.5Very low42Very low115 Ų115164.7 Ų164.770%0.69782%0.823SS**  trans38.9119.8147-176.40000119.6
254L42.6Very low42.4Very low183 Ų183165.6 Ų165.696%0.95883%0.826SS**  -136.6153.4128.4-89.7179.5000109.7
255S39.5Very low43.2Very low106 Ų106164.9 Ų164.974%0.74182%0.823SS**  trans-125.5134.4-157.3178.10000113.8
256S41.4Very low43.4Very low111 Ų111163.9 Ų163.978%0.77683%0.827SS**  trans-161.2117.8151.343.70000113.4
257R38.6Very low44.1Very low229 Ų229163.5 Ų163.586%0.86482%0.824SS**  trans29142.6131.8-55.8177.1-171.3-162.51.5119.1
258L49.4Very low45Very low151 Ų151158.3 Ų158.379%0.79181%0.814SS**  cis-174.3-1730.5-96.6166.5000105.6
259P39.4Very low45.7Very low104 Ų104155.2 Ų155.268%0.67581%0.811SS**  -128152.1-68.136.8-19.1000116.7
260R38.3Very low46.6Very low241 Ų241149 Ų14991%0.90980%0.798SS**  trans33.3118.5141.2-68.1177.8164.6169.3-5122.1
261T46.3Very low47.6Very low138 Ų138150.5 Ų150.585%0.84780%0.8SS**  -167.5162.7125.634.80000109.3
262S47.3Very low47.9Very low99 Ų99150.7 Ų150.769%0.69279%0.794SS**  cis-161.9134.3-35.1-96.60000112.1
263K45.5Very low48.1Very low200 Ų200153.1 Ų153.187%0.8779%0.794SS**  trans50.9110.4158.8-57.7180-177.2178.60120.4
264R49Very low48.6Very low255 Ų255155.4 Ų155.496%0.96280%0.796SS**  trans-156.1163130.1-106166.5-159.9-155.34.6110.3
265K50.9Low49Very low204 Ų204152 Ų15289%0.88779%0.785SS**  trans-82.3154.9-152.2-63.3174.1175.9179.60114.7
266N44.7Very low49.5Very low168 Ų168154.7 Ų154.790%0.89879%0.786SS**  trans-63148.2163.6-73-24.4000111
267V52.2Low49.7Very low125 Ų125158.5 Ų158.576%0.75879%0.791SS**  trans-127.4136.2160.3177.70000106.2
268D57Low49.6Very low125 Ų125152.5 Ų152.567%0.66879%0.791SS**  trans-81.3154.3-174.7-157.1-10.3000111.4A270D268-A270 PolarHBondContact O-N 3.5Å
269V57.4Low49.3Very low127 Ų127149.5 Ų149.577%0.7779%0.788SS**G310 helixtrans-77.8-8.7-172-166.20000112
270A64.2Low49.7Very low78 Ų78154.7 Ų154.765%0.64580%0.8SS**G310 helixtrans-76.4-23.5-179.600000114.7D268 L272D268-A270 PolarHBondContact O-N 3.5Å; A270-L272 PolarHBondContact O-N 2.91Å
271D61Low49.8Very low143 Ų143152.8 Ų152.877%0.76580%0.798SS**G310 helixtrans-80.35.9-176.5-86.6-17.2000114.4
272L59.7Low49.4Very low135 Ų135153.6 Ų153.671%0.70780%0.797SS**G310 helixtrans-100.2-6.2-171.9-153.167.5000115A270A270-L272 PolarHBondContact O-N 2.91Å
273F46.6Very low49Very low179 Ų179156 Ų15679%0.78580%0.801SS**  trans-145.4119.1179.5-71.2-83.3000112.3
274E49.9Very low48.5Very low162 Ų162154.4 Ų154.476%0.75780%0.802SS**PPolyproline II helixtrans-89.5119.5180-167.8174.4-134.200111.5H276E274-H276 PolarHBondContact O-N 2.89Å; E274-H276 PolarHBondContact O-ND1 3.34Å; E274-H276 IonicContact OE2-CE1 3.14Å
275P50.9Low48.3Very low112 Ų112148.3 Ų148.373%0.72780%0.795SS**PPolyproline II helixtrans-86.2117-170.932.7-33.4000112.3
276H50.5Low47.8Very low162 Ų162147.3 Ų147.375%0.7579%0.791SS**PPolyproline II helixtrans-95.7122.1175.5-74.659.6000111.1E274E274-H276 PolarHBondContact O-N 2.89Å; E274-H276 PolarHBondContact O-ND1 3.34Å; E274-H276 IonicContact OE2-CE1 3.14Å
277Q44.2Very low47.5Very low191 Ų191146 Ų14689%0.89378%0.782SS**PPolyproline II helixtrans-79.2144.9-170.4-60.817813.700112.5
278A38Very low46.8Very low104 Ų104148 Ų14886%0.8679%0.788SS**PPolyproline II helixtrans-81129.9174.500000111.8
279A43Very low45.8Very low87 Ų87148.7 Ų148.772%0.71979%0.791SS**  trans165.5123.9131.500000112.3
280K46.6Very low44.9Very low213 Ų213148.6 Ų148.693%0.92679%0.791SS**  -177.3134.3120.5-93148.2-168.7177.10110.1
281K41.8Very low43.5Very low201 Ų201151.8 Ų151.887%0.87480%0.797SS**  trans-77.8153.3177.2-55.4170.1179.3177.80109.9
282L37.3Very low42.4Very low156 Ų156150.6 Ų150.682%0.81780%0.8SS**  trans174.3103.2146.1-92.6149.8000108.1
283N39.8Very low41.5Very low148 Ų148151.3 Ų151.379%0.79180%0.8SS**  85.3111.2101.9-883.8000115.6
284L33.8Very low41.1Very low168 Ų168151.4 Ų151.488%0.8880%0.795SS**  trans-88.7136162-77.974.5000109.8
285P44.6Very low40.5Very low126 Ų126149.5 Ų149.582%0.81879%0.79SS**  trans-81.2157159.733.7-31.2000111.3
286K41Very low40Very low184 Ų184152.2 Ų152.280%0.879%0.792SS**  trans-116.2141.6-174.6-100.8179.4177.3179.70110.3
287I38.5Very low39.5Very low139 Ų139149.4 Ų149.471%0.71379%0.791SS**  trans60.7122.1147.1-49.9157.2000116.5
288L38Very low39.1Very low168 Ų168147.4 Ų147.488%0.8879%0.787SS**  -169.9140.1115.5-99.8163.7000112.2
289N35.6Very low39.1Very low139 Ų139148 Ų14874%0.74378%0.784SS**  trans-92.4168.8172.4-175.426.6000109.2
290V38Very low38.8Very low126 Ų126154.4 Ų154.476%0.76479%0.79SS**  trans138.2123.6152.1167.90000112.5
291N35.1Very low38.2Very low144 Ų144151.2 Ų151.277%0.7778%0.783SS**  trans-67.2143.9170.3-59.6-22.4000111.8
292S37.9Very low38.1Very low118 Ų118151.4 Ų151.483%0.82579%0.787SS**  -176127.6124.1-83.50000114.4
293Q40.7Very low38.2Very low151 Ų151148.8 Ų148.871%0.70678%0.782SS**  trans25130.1145.7-85.1-174.9-9.200123.2
294R37.6Very low38.5Very low181 Ų181150.9 Ų150.968%0.68379%0.787SS**  trans90.5113.4130.5-74.6-176-154.7169.49.9121.2
295D37.5Very low38.7Very low121 Ų121147 Ų14765%0.64779%0.787SS**  88.2122.2117.8-58-12.3000122.1
296H41.2Very low38.6Very low169 Ų169144.5 Ų144.578%0.78279%0.785SS**  trans72.9104.7145-64.1-47.9000122.4
297S39.9Very low38.2Very low104 Ų104146.4 Ų146.473%0.72779%0.794SS**  100.3119.2116.1740000121
298N35.5Very low38.1Very low149 Ų149143 Ų14380%0.79779%0.793SS**  trans54.9103.9133.8-66.8-2.8000121.2
299S37.2Very low38.2Very low115 Ų115142 Ų14280%0.80479%0.787SS**  123.9143.3100.970.60000118.4
300R36.7Very low38.3Very low223 Ų223143 Ų14384%0.84279%0.791SS**  trans74.4100.9161.2-90.9178159.3162.7-6.1120.6
301D35Very low38.2Very low146 Ų146144.6 Ų144.678%0.78179%0.79SS**  32.9117.5123.2-52.4-34.1000120
302E39.2Very low38.5Very low204 Ų204143.2 Ų143.295%0.95379%0.787SS**  -152.1163.3125.1-113.9170-15900110.6
303S40.4Very low38.4Very low102 Ų102146 Ų14671%0.71379%0.787SS**  trans-95.4158.6-15448.60000117.3
304E44.4Very low38.2Very low191 Ų191144.8 Ų144.889%0.89379%0.79SS**  166.1135.2120-89.5-177.7166.300116.2
305G37.8Very low37.9Very low86 Ų86145.6 Ų145.689%0.88780%0.798SS**  trans76.3130.9163.200000118.6
306G44.1Very low37.9Very low75 Ų75147.3 Ų147.377%0.77381%0.806SS**  cis109.4113.511.800000110.3
307F31.4Very low37.5Very low224 Ų224147.8 Ų147.898%0.98281%0.806SS**  cis-136.1154.733.8-74.7-116.4000110.9
308G37Very low37.2Very low68 Ų68153.2 Ų153.270%0.70181%0.81SS**  cis-171.9115-700000109.8
309L40.8Very low37.1Very low145 Ų145155.5 Ų155.576%0.75981%0.808SS**  trans-90.6139.1172.1-82.681.8000110H311L309-H311 VanDerWaalsContact CD2-CE1 3.4Å; L309-H311 WeakPolarHBondContact CD2-CE1 3.06Å
310I37.8Very low37Very low161 Ų161159.5 Ų159.583%0.82681%0.807SS**  trans-112.5102.3162.6-59.5176.6000107T312I310-T312 HydrophobicContact CG2-CG2 4.46Å
311H34.2Very low36.7Very low159 Ų159157.4 Ų157.474%0.73680%0.804SS**  trans-92.1122.4164-77.6109.5000108.9L309L309-H311 VanDerWaalsContact CD2-CE1 3.4Å; L309-H311 WeakPolarHBondContact CD2-CE1 3.06Å
312T43.3Very low36.6Very low116 Ų116158.3 Ų158.371%0.71281%0.808SS**  trans-135.7106.9158.354.60000108.5I310I310-T312 HydrophobicContact CG2-CG2 4.46Å
313E35.6Very low36.4Very low176 Ų176156 Ų15682%0.82280%0.802SS**  trans-71.8125.3172.1-62.5-177.1175.900110.5
314T36Very low36Very low125 Ų125159 Ų15977%0.76781%0.805SS**  trans-131.5105.216236.50000110.7I316T314-I316 PolarHBondContact O-N 3.38Å
315K31.9Very low35.5Very low198 Ų198156 Ų15686%0.86180%0.8SS**  trans-60.6120.9174.5-67.3169.9177.6170.60110.6
316I36Very low35.2Very low157 Ų157157.6 Ų157.681%0.80579%0.793SS**  trans-121.5114.7161.5-62-176.6000109.3T314 R318T314-I316 PolarHBondContact O-N 3.38Å; I316-R318 PolarHBondContact O-N 2.84Å
317K33.6Very low34.9Very low179 Ų179161.7 Ų161.778%0.77879%0.792SS**  trans-62.6124178-83.6175.4166.1176.90111R319K317-R319 PolarHBondContact O-N 2.86Å
318R34.1Very low35Very low219 Ų219157 Ų15783%0.82678%0.777SS**  trans-67.3117.8144.2-75.8-176.4-178.3138.12.1107.4I316 Y320I316-R318 PolarHBondContact O-N 2.84Å; R318-Y320 HydrophobicContact CB-CE2 4.43Å
319R32.6Very low34.8Very low196 Ų196162.3 Ų162.374%0.7478%0.781SS**  trans-100.1107.9164.9-97-174.2-78166.9-4.4108K317K317-R319 PolarHBondContact O-N 2.86Å
320Y34.7Very low34.5Very low200 Ų200162.9 Ų162.978%0.78478%0.779SS**  trans-69.4142.4153.3-65.7-91000107.5R318R318-Y320 HydrophobicContact CB-CE2 4.43Å
321F32.1Very low34.4Very low179 Ų179162.2 Ų162.279%0.78577%0.773SS**  trans-132.596.3177.8-130.3-76.1000108.1
322L32.6Very low34.6Very low165 Ų165160.3 Ų160.386%0.86477%0.768SS**  trans-156.4110.5159.5-155.978.4000106.5
323D34.2Very low34.3Very low154 Ų154163 Ų16382%0.82477%0.772SS**  trans-160.9156.9135.4-122-17.1000111.1
324E31.8Very low34.2Very low166 Ų166158.2 Ų158.278%0.77676%0.763SS**  trans-81.4155.8-168.1-53174.8129.900113.1
325T34Very low34.1Very low128 Ų128157.2 Ų157.279%0.78576%0.761SS**  173.2128109.229.20000115.1
326T32.1Very low34.3Very low120 Ų120155.1 Ų155.174%0.73676%0.758SS**  trans51112.4142-12.90000121.6
327Q36.6Very low34.3Very low161 Ų161157.1 Ų157.175%0.75276%0.761SS**  172131.897-90.6-174.710.200114.3
328N33.6Very low34.2Very low125 Ų125152.9 Ų152.967%0.66875%0.754SS**  trans53.7113.9143.8-55.5-19.2000122
329F33.3Very low34.3Very low180 Ų180149.2 Ų149.279%0.78975%0.751SS**  148.892.6125-92.5-80.8000108.9
330Q34.4Very low34.3Very low156 Ų156149.9 Ų149.973%0.72976%0.759SS**  77.8132.482.5-143.2-178-0.700113.8
331E36.8Very low34.4Very low148 Ų148149.4 Ų149.469%0.69276%0.764SS**  trans88.794.6161.8-56.6-143151.600121.7
332N36.8Very low34.8Very low118 Ų118148 Ų14863%0.63176%0.764SS**  107.2135.1106.9-70.9-18.8000122
333H37.2Very low34.8Very low172 Ų172150.7 Ų150.780%0.79676%0.763SS**  trans65.8104.1168.1-66.7-67.5000118.7
334A35.1Very low35.1Very low76 Ų76153.1 Ų153.163%0.62877%0.766SS**  799275.200000111.9
335S33.7Very low35.7Very low105 Ų105153.8 Ų153.873%0.73477%0.769SS**  79.1125.596.371.40000114.2
336I35.1Very low35.7Very low154 Ų154156.6 Ų156.679%0.7977%0.773SS**  trans-170.6112.8138.8-99.5147.5000111.6
337F36Very low36.1Very low198 Ų198160.4 Ų160.487%0.86878%0.78SS**  trans68.9141.8148-71.5-102.1000123.2
338S32.2Very low36.2Very low90 Ų90156.3 Ų156.363%0.62977%0.769SS**  trans-138.1172.7-16852.20000110.8
339N34.9Very low36.5Very low143 Ų143157 Ų15777%0.76577%0.773SS**  trans75.8118.2158.2-56.9-23.1000119.4
340F33.8Very low37Very low209 Ų209156.7 Ų156.792%0.91777%0.774SS**  trans-132.9113146.7-93.8-85.8000108.9
341Q36.9Very low37.2Very low191 Ų191157 Ų15789%0.89378%0.776SS**  trans-133127171.5-168.785.214.700107.2
342L39.5Very low37.5Very low149 Ų149158.3 Ų158.378%0.7878%0.781SS**  trans-105.9111.2-174.1-100.2164.3000112.9
343R32.4Very low37.7Very low221 Ų221160.1 Ų160.183%0.83479%0.786SS**  trans25.6127.9151.1-76.1-179.7168.5145-2.7120.4
344K41.3Very low37.5Very low205 Ų205158.5 Ų158.589%0.89178%0.783SS**  -136.2157.5119.9-151.7169-177-179.80110
345E43.9Very low37.7Very low180 Ų180162.9 Ų162.984%0.84180%0.795SS**  trans-84.6160.5-153.6-61.1169.5141.800115.4
346Q34.6Very low37.8Very low187 Ų187166 Ų16687%0.87480%0.798SS**  trans-117.5155.2170.2-77-177.7-43.700110.6
347F41.1Very low38.3Very low201 Ų201166.6 Ų166.688%0.88280%0.803SS**  trans-125.9107.4150.3-108-94.1000106.8
348S37.7Very low38.3Very low75 Ų75164.8 Ų164.852%0.52480%0.801SS.*  48.8134.7110.2116.10000117.6
349D40.2Very low38.7Very low139 Ų139168.5 Ų168.574%0.74381%0.812SS**  cis-157.4177.89.4-74.9-57.7000113.8
350E43.3Very low39Very low173 Ų173167.2 Ų167.281%0.80881%0.812SS**  trans81.296.5153.5-47-152.5162.500122.7
351E38.3Very low39.1Very low164 Ų164165.2 Ų165.277%0.76681%0.81SS**  45.9116.5117-60.1-177.3-175.600121.9
352H43Very low39.5Very low174 Ų174162.1 Ų162.181%0.80681%0.806SS**  -167.1174.3104.1-112.5-73.3000113.1
353E41.7Very low39.6Very low156 Ų156160.7 Ų160.773%0.72981%0.809SS**  trans-95.3162.8-152.4-54.4179.711400116.6
354N33.8Very low39.9Very low139 Ų139159.2 Ų159.274%0.74381%0.811SS**  trans34.2119.7144.3-71.4-57.7000120.2
355L38.6Very low40.3Very low167 Ų167155 Ų15587%0.87481%0.805SS**  -160.2146.198.4-157.859.6000111.8
356E36.4Very low39.8Very low171 Ų171152.6 Ų152.680%0.79981%0.805SS**  trans-77.1141175.7-55.6173.5129.200111.2
357D43.9Very low39.7Very low167 Ų167152.2 Ų152.289%0.89381%0.808SS**  trans-158.4144.7133.3-129-25.5000112.6
358L37.4Very low39.4Very low160 Ų160148.5 Ų148.584%0.83881%0.807SS**  trans-104.2130.2-167-69.3165.9000112.6
359I40.7Very low39.1Very low167 Ų167148.3 Ų148.386%0.85682%0.817SS**  trans-136.5126.9158.3-55.5-177.6000110.1
360P40.5Very low39.1Very low117 Ų117150.1 Ų150.176%0.7682%0.821SS**PPolyproline II helixtrans-93.3159.5-169.2-2.824000115.1
361L36.5Very low38.6Very low167 Ų167148 Ų14887%0.87482%0.815SS**PPolyproline II helixtrans-65.4139.3170.7-87.671.2000112.3
362P45.5Very low38.3Very low125 Ų125148.6 Ų148.681%0.81282%0.82SS**PPolyproline II helixtrans-80.3147.2165.732.7-32.9000112.3
363S41.6Very low37.9Very low120 Ų120147.3 Ų147.384%0.83983%0.825SS**PPolyproline II helixtrans-87.7158.6-17334.90000114.7
364Q37.8Very low37.4Very low189 Ų189147 Ų14788%0.88383%0.828SS**PPolyproline II helixtrans-71.9142.7173.5-67.5-179.2-37.600112.1
365P48.9Very low37.7Very low118 Ų118146.3 Ų146.377%0.76683%0.829SS**PPolyproline II helixtrans-84.2149.1164.233.8-32.2000111.8
366P35.2Very low37.4Very low129 Ų129143.3 Ų143.384%0.83882%0.817SS**PPolyproline II helixtrans-87169.1-173.235.5-36.9000114.4
367L31.5Very low37.2Very low179 Ų179141.9 Ų141.994%0.93782%0.815SS**PPolyproline II helixtrans-66.1140-180-63.4164000113.2
368S35.9Very low36.7Very low123 Ų123141.5 Ų141.586%0.8681%0.813SS**  trans-126.7134.8148.351.70000107.7
369G31.4Very low36.6Very low71 Ų71139.8 Ų139.873%0.73281%0.805SS**  trans-117.4162.6179.400000110.8
370E38.3Very low36.7Very low177 Ų177137.3 Ų137.383%0.82780%0.8SS**  trans-162.4140.2156.7-116.8176.7-155.200111.3
371N34.5Very low36.9Very low129 Ų129136.2 Ų136.269%0.6980%0.795SS**  trans60.8102.9155.1-50.4-37.2000118.3
372M30.3Very low38Very low175 Ų175131.5 Ų131.586%0.86277%0.77SS**  74.2101.366.9-170.9-176.8-168.200113.9
373T35.3Very low38.4Very low147 Ų147132.2 Ų132.290%0.90276%0.761SS**  trans-160.6147.5137.816.40000110.3
374D31.9Very low39.6Very low149 Ų149127.7 Ų127.780%0.79773%0.728SS**  trans-120.9119.1-168.8174.821.1000109.3
375V38.5Very low41.2Very low126 Ų126123 Ų12376%0.76471%0.712SS**  trans-147.285.8177.2-1730000111.1
376T34Very low42.5Very low104 Ų104117.4 Ų117.464%0.63868%0.676SS**  trans35.6131.6132.8580000122.4
377D32.6Very low44.5Very low140 Ų140113.2 Ų113.275%0.74965%0.647SS**  trans62.4119.9150-65.7-32.9000120.7
378N33.1Very low46.8Very low160 Ų160105.3 Ų105.386%0.85661%0.606SS**  166.298.2117.5-86-62.4000112.9
379N34.5Very low48.9Very low123 Ų123100.5 Ų100.566%0.65857%0.571SS**  trans49.1109.9146.5-167.71.1000122.2S381N379-S381 PolarHBondContact OD1-N 3.21Å; N379-S381 PolarHBondContact OD1-OG 3.25Å
380P41.9Very low51.4Low116 Ų116101.3 Ų101.375%0.75356%0.558SS**  trans-127.862154.740.1-26.8000113.3N382P380-N382 PolarHBondContact O-N 2.87Å
381S45.7Very low53.6Low94 Ų9496 Ų9666%0.65753%0.533SS*.THydrogen-bonded Turntrans-55.6-21.5-164.3-75.20000119.9N379N379-S381 PolarHBondContact OD1-N 3.21Å; N379-S381 PolarHBondContact OD1-OG 3.25Å
382N58.5Low56.1Low67 Ų6789.8 Ų89.836%0.35850%0.5SS..THydrogen-bonded Turntrans-11718.1-159.9-6522.3000116.6P380 L457 D458P380-N382 PolarHBondContact O-N 2.87Å; N382-L457 PolarHBondContact O-N 2.94Å; N382-D458 PolarHBondContact ND2-OD1 2.94Å; N382-D458 PolarHBondContact ND2-OD2 2.78Å
383F55.8Low58.8Low141 Ų14185.6 Ų85.662%0.61848%0.48SS*.EExtended strand (participates in β ladder)trans-119.4118.1174.5-67.7-74000112.9
384V66.3Low61.2Low24 Ų2482.8 Ų82.815%0.14547%0.467CS..EExtended strand (participates in β ladder)trans-102.7136.5172.9-178.30000109.5T432 F435 A436V384-T432 HydrophobicContact CG2-CG2 3.98Å; V384-F435 HydrophobicContact CB-CD1 3.64Å; V384-F435 HydrophobicContact CB-CE1 3.98Å; V384-F435 HydrophobicContact CG1-CD1 3.84Å; V384-F435 HydrophobicContact CG2-CD1 4.07Å; V384-F435 HydrophobicContact CG2-CE1 4.49Å; V384-A436 HydrophobicContact CG1-CB 4.16Å
385T70.1Confident63.9Low90 Ų9079.7 Ų79.755%0.55245%0.451SS*.EExtended strand (participates in β ladder)trans-81.8119.4171.7-59.30000109.2
386V77.1Confident66.3Low1 Ų177.4 Ų77.41%0.00643%0.428CS..PPolyproline II helixtrans-82.9140.8179-179.20000110.1F435 V440 P453 V455V386-F435 HydrophobicContact CG2-CE1 4.41Å; V386-V440 HydrophobicContact CG1-CB 4.26Å; V386-V440 HydrophobicContact CG1-CG2 3.69Å; V386-P453 WeakPolarHBondContact CG2-O 3.49Å; V386-V455 HydrophobicContact CG2-CB 4.5Å; V386-V455 HydrophobicContact CG2-CG2 4.08Å
387L77.9Confident68.9Low42 Ų4273.7 Ų73.722%0.2240%0.404CS..PPolyproline II helixtrans-70.2153.1175.7-62177000111.3E391 I392 A436 I437 V440L387-E391 WeakPolarHBondContact CA-OE2 3.23Å; L387-E391 HydrophobicContact CB-CB 4.43Å; L387-I392 HydrophobicContact CB-CD1 4.47Å; L387-I392 HydrophobicContact CB-CG1 4.16Å; L387-I392 HydrophobicContact CD1-CG1 4.33Å; L387-A436 PolarHBondContact N-O 2.81Å; L387-I437 HydrophobicContact CD1-CG1 3.8Å; L387-V440 WeakPolarHBondContact O-CG2 3.23Å
388S79.4Confident71.5Confident12 Ų1274.1 Ų74.18%0.08440%0.399CS..PPolyproline II helixtrans-75.6154.9168.2-73.80000111.4D390 E391 I392 K452S388-D390 PolarHBondContact O-N 3.08Å; S388-E391 PolarHBondContact N-OE2 3.24Å; S388-E391 WeakPolarHBondContact O-CB 3.23Å; S388-E391 PolarHBondContact O-N 3.07Å; S388-I392 PolarHBondContact O-N 3.22Å; S388-I392 VanDerWaalsContact O-N 3.16Å; S388-K452 WeakPolarHBondContact OG-CE 3.3Å; S388-K452 VanDerWaalsContact OG-CG 3.23Å; S388-K452 WeakPolarHBondContact OG-CG 3.26Å
389L80.6Confident73.9Confident22 Ų2269.8 Ų69.812%0.11538%0.376CS..Hα-helixtrans-57.6-37.6177-173.762.3000111.8E391 I392 I393 F441 V446 A493L389-E391 VanDerWaalsContact C-N 3.34Å; L389-E391 PolarHBondContact O-N 3.46Å; L389-I392 WeakPolarHBondContact O-CB 3.3Å; L389-I392 PolarHBondContact O-N 3Å; L389-I393 HydrophobicContact CD1-CD1 4.42Å; L389-I393 HydrophobicContact CG-CD1 3.95Å; L389-I393 WeakPolarHBondContact O-CG1 3.46Å; L389-I393 PolarHBondContact O-N 2.86Å; L389-F441 HydrophobicContact CD1-CE1 4.11Å; L389-F441 HydrophobicContact CD1-CZ 3.68Å; L389-V446 HydrophobicContact CD2-CG1 4.48Å; L389-A493 HydrophobicContact CD1-CB 3.76Å
390D82.2Confident76.3Confident88 Ų8870.1 Ų70.147%0.47137%0.374SS..Hα-helixtrans-68.4-30.2177-58.5-26.1000112.7S388 I392 S394S388-D390 PolarHBondContact O-N 3.08Å; D390-I392 VanDerWaalsContact C-N 3.32Å; D390-S394 VanDerWaalsContact O-CB 3.28Å; D390-S394 WeakPolarHBondContact O-CB 3.36Å; D390-S394 PolarHBondContact O-N 2.66Å; D390-S394 PolarHBondContact O-OG 3.45Å
391E85.4Confident78.5Confident65 Ų6567.9 Ų67.930%0.30436%0.355SS..Hα-helixtrans-71.5-29.6173.7-66.6177148.200111.5L387 S388 L389 S394 N395 K452L387-E391 WeakPolarHBondContact CA-OE2 3.23Å; L387-E391 HydrophobicContact CB-CB 4.43Å; S388-E391 PolarHBondContact N-OE2 3.24Å; S388-E391 WeakPolarHBondContact O-CB 3.23Å; S388-E391 PolarHBondContact O-N 3.07Å; L389-E391 VanDerWaalsContact C-N 3.34Å; L389-E391 PolarHBondContact O-N 3.46Å; E391-S394 WeakPolarHBondContact CA-OG 3.19Å; E391-S394 PolarHBondContact O-OG 3.33Å; E391-N395 PolarHBondContact O-ND2 2.91Å; E391-K452 IonicContact OE1-NZ 2.66Å; E391-K452 PolarHBondContact OE1-NZ 3.21Å; E391-K452 VanDerWaalsContact OE2-CE 3.31Å; E391-K452 WeakPolarHBondContact OE2-CE 3.35Å; E391-K452 IonicContact OE2-NZ 3.58Å; E391-K452 PolarHBondContact OE2-NZ 2.84Å
392I87.6Confident80.4Confident0 Ų065.9 Ų65.90%033%0.334CS..Hα-helixtrans-74.6-46173.6-61.5170.6000110.1L387 S388 L389 D390 N395 R396 I437 V440 F441 A493 T494 Y497L387-I392 HydrophobicContact CB-CD1 4.47Å; L387-I392 HydrophobicContact CB-CG1 4.16Å; L387-I392 HydrophobicContact CD1-CG1 4.33Å; S388-I392 PolarHBondContact O-N 3.22Å; S388-I392 VanDerWaalsContact O-N 3.16Å; L389-I392 WeakPolarHBondContact O-CB 3.3Å; L389-I392 PolarHBondContact O-N 3Å; D390-I392 VanDerWaalsContact C-N 3.32Å; I392-N395 PolarHBondContact O-N 3.2Å; I392-R396 PolarHBondContact O-N 3.03Å; I392-I437 HydrophobicContact CD1-CG2 4.26Å; I392-I437 WeakPolarHBondContact CD1-O 3.32Å; I392-V440 HydrophobicContact CD1-CG2 3.67Å; I392-F441 HydrophobicContact CD1-CE2 4.45Å; I392-A493 HydrophobicContact CG2-CB 4.32Å; I392-T494 HydrophobicContact CG2-CG2 3.9Å; I392-Y497 HydrophobicContact CB-CD2 4.44Å; I392-Y497 HydrophobicContact CG2-CD2 3.96Å; I392-Y497 WeakPolarHBondContact O-CD2 3.28Å
393I86.3Confident81.7Confident86 Ų8671.4 Ų71.444%0.44135%0.349SS..Hα-helixtrans-67.2-39.6-178.8-67.1166.4000111.8L389 N395 R396L389-I393 HydrophobicContact CD1-CD1 4.42Å; L389-I393 HydrophobicContact CG-CD1 3.95Å; L389-I393 WeakPolarHBondContact O-CG1 3.46Å; L389-I393 PolarHBondContact O-N 2.86Å; I393-N395 VanDerWaalsContact C-N 3.33Å; I393-N395 PolarHBondContact O-N 3.16Å; I393-R396 VanDerWaalsContact O-CB 3.3Å; I393-R396 WeakPolarHBondContact O-CB 3.32Å; I393-R396 PolarHBondContact O-N 2.56Å
394S86.5Confident83.2Confident89 Ų8970.6 Ų70.662%0.62235%0.352SS*.Hα-helixtrans-67.2-29.7179.150.50000113.9D390 E391D390-S394 VanDerWaalsContact O-CB 3.28Å; D390-S394 WeakPolarHBondContact O-CB 3.36Å; D390-S394 PolarHBondContact O-N 2.66Å; D390-S394 PolarHBondContact O-OG 3.45Å; E391-S394 WeakPolarHBondContact CA-OG 3.19Å; E391-S394 PolarHBondContact O-OG 3.33Å
395N87.4Confident84.3Confident84 Ų8473.5 Ų73.545%0.44936%0.36SS..THydrogen-bonded Turntrans-92.29.1175.1-69.6-65.7000113.6E391 I392 I393 Y497 M498E391-N395 PolarHBondContact O-ND2 2.91Å; I392-N395 PolarHBondContact O-N 3.2Å; I393-N395 VanDerWaalsContact C-N 3.33Å; I393-N395 PolarHBondContact O-N 3.16Å; N395-Y497 HydrophobicContact CB-CD2 3.92Å; N395-Y497 HydrophobicContact CB-CE2 3.58Å; N395-M498 PolarHBondContact O-N 2.82Å
396R90.5Very high85.2Confident78 Ų7874.6 Ų74.629%0.29437%0.369SS..BIsolated β-bridgetrans-84.2133176.2-175-178.7160-122.3-20.4111I392 I393 D399 N495I392-R396 PolarHBondContact O-N 3.03Å; I393-R396 VanDerWaalsContact O-CB 3.3Å; I393-R396 WeakPolarHBondContact O-CB 3.32Å; I393-R396 PolarHBondContact O-N 2.56Å; R396-D399 IonicContact NH2-OD1 3.08Å; R396-D399 PolarHBondContact NH2-OD1 3.35Å; R396-D399 VanDerWaalsContact NH2-OD1 3.08Å; R396-D399 IonicContact NH2-OD2 3.13Å; R396-D399 PolarHBondContact NH2-OD2 2.92Å; R396-D399 VanDerWaalsContact NH2-OD2 3.13Å; R396-N495 PolarHBondContact NE-O 2.98Å
397L87.7Confident85.8Confident26 Ų2677.4 Ų77.414%0.13639%0.386CS..PPolyproline II helixtrans-64.1135.7174.1-169.768.1000111.8D401 R402 Y405 G496 P503L397-D401 HydrophobicContact CD1-CB 3.52Å; L397-D401 HydrophobicContact CD2-CB 4.1Å; L397-D401 HydrophobicContact CG-CB 3.72Å; L397-R402 HydrophobicContact CD2-CB 4.26Å; L397-Y405 HydrophobicContact CD1-CE2 4.25Å; L397-Y405 HydrophobicContact CD2-CD2 3.49Å; L397-Y405 VanDerWaalsContact CD2-CD2 3.49Å; L397-Y405 HydrophobicContact CD2-CE2 3.41Å; L397-Y405 VanDerWaalsContact CD2-CE2 3.41Å; L397-Y405 HydrophobicContact CG-CE2 4.48Å; L397-G496 VanDerWaalsContact CB-O 3.24Å; L397-G496 WeakPolarHBondContact CB-O 3.44Å; L397-G496 PolarHBondContact N-O 2.81Å; L397-P503 HydrophobicContact CD2-CB 4.44Å
398K86.5Confident86.5Confident149 Ų14976.2 Ų76.265%0.64838%0.379SS*.PPolyproline II helixtrans-61.8151.5176.1-65.5-178.4179.7179.20111.4E400 D401 R402K398-E400 PolarHBondContact O-N 2.86Å; K398-E400 VanDerWaalsContact O-N 3.16Å; K398-D401 PolarHBondContact O-N 3.05Å; K398-R402 WeakPolarHBondContact O-CB 3.46Å; K398-R402 PolarHBondContact O-N 2.95Å
399D83.6Confident86.9Confident69 Ų6979.6 Ų79.637%0.36941%0.408SS..THydrogen-bonded Turntrans-65.3-19.5-177-74.6-55.1000114.5R396 R402R396-D399 IonicContact NH2-OD1 3.08Å; R396-D399 PolarHBondContact NH2-OD1 3.35Å; R396-D399 VanDerWaalsContact NH2-OD1 3.08Å; R396-D399 IonicContact NH2-OD2 3.13Å; R396-D399 PolarHBondContact NH2-OD2 2.92Å; R396-D399 VanDerWaalsContact NH2-OD2 3.13Å; D399-R402 IonicContact OD1-CZ 2.64Å; D399-R402 IonicContact OD1-NE 2.79Å; D399-R402 PolarHBondContact OD1-NE 3.25Å; D399-R402 IonicContact OD1-NH2 2.65Å; D399-R402 PolarHBondContact OD1-NH2 3.11Å
400E85.9Confident87.2Confident130 Ų13087.6 Ų87.661%0.60744%0.441SS*.THydrogen-bonded Turntrans-73.5-56.4172.2-56.8-174.9155.400111K398 R402 R403K398-E400 PolarHBondContact O-N 2.86Å; K398-E400 VanDerWaalsContact O-N 3.16Å; E400-R402 PolarHBondContact O-N 3.04Å; E400-R403 WeakPolarHBondContact O-CB 3.32Å; E400-R403 PolarHBondContact O-N 3.07Å
401D86.8Confident87.7Confident68 Ų6885.5 Ų85.536%0.36443%0.427SS..Hα-helixtrans-59.9-34.7177.9-61.1-51.3000111.7L397 K398 R403 N404 Y405L397-D401 HydrophobicContact CD1-CB 3.52Å; L397-D401 HydrophobicContact CD2-CB 4.1Å; L397-D401 HydrophobicContact CG-CB 3.72Å; K398-D401 PolarHBondContact O-N 3.05Å; D401-R403 PolarHBondContact O-N 3.49Å; D401-R403 VanDerWaalsContact O-N 3.15Å; D401-N404 WeakPolarHBondContact O-CB 3.48Å; D401-N404 PolarHBondContact O-N 3.36Å; D401-Y405 WeakPolarHBondContact O-CD2 3.42Å
402R85.7Confident88Confident53 Ų5387.9 Ų87.920%0.244%0.442CS..Hα-helixtrans-54.9-31.1176-170.9162.566.5116.7-2.5113L397 K398 D399 E400 F408 N495L397-R402 HydrophobicContact CD2-CB 4.26Å; K398-R402 WeakPolarHBondContact O-CB 3.46Å; K398-R402 PolarHBondContact O-N 2.95Å; D399-R402 IonicContact OD1-CZ 2.64Å; D399-R402 IonicContact OD1-NE 2.79Å; D399-R402 PolarHBondContact OD1-NE 3.25Å; D399-R402 IonicContact OD1-NH2 2.65Å; D399-R402 PolarHBondContact OD1-NH2 3.11Å; E400-R402 PolarHBondContact O-N 3.04Å; R402-F408 HydrophobicContact CG-CB 4.26Å; R402-F408 HydrophobicContact CG-CD1 3.65Å; R402-F408 HydrophobicContact CG-CD2 3.73Å; R402-F408 HydrophobicContact CG-CE1 3.8Å; R402-F408 HydrophobicContact CG-CE2 3.88Å; R402-F408 HydrophobicContact CG-CG 3.61Å; R402-F408 HydrophobicContact CG-CZ 3.91Å; R402-F408 WeakPolarHBondContact O-CB 3.28Å; R402-F408 WeakPolarHBondContact O-CD2 3.4Å; R402-N495 PolarHBondContact NH1-ND2 2.93Å; R402-N495 VanDerWaalsContact NH1-ND2 3.16Å
403R86Confident88.1Confident183 Ų18391 Ų9169%0.69146%0.462SS*.Hα-helixtrans-74.3-23.8175.6-67.3-175.7-72.8-110.64.4113.5E400 D401 Y405E400-R403 WeakPolarHBondContact O-CB 3.32Å; E400-R403 PolarHBondContact O-N 3.07Å; D401-R403 PolarHBondContact O-N 3.49Å; D401-R403 VanDerWaalsContact O-N 3.15Å; R403-Y405 VanDerWaalsContact C-N 3.32Å
404N88.6Confident88.3Confident124 Ų12489.1 Ų89.166%0.66346%0.463SS*.Hα-helixtrans-75.2-23.4179.3-60.9-24000112.1D401D401-N404 WeakPolarHBondContact O-CB 3.48Å; D401-N404 PolarHBondContact O-N 3.36Å
405Y89Confident88.6Confident85 Ų8589.8 Ų89.833%0.33346%0.463SS..SBendtrans-82.1122.8178.6-76.3-90.3000111.6L397 D401 R403 V407 F408 P503L397-Y405 HydrophobicContact CD1-CE2 4.25Å; L397-Y405 HydrophobicContact CD2-CD2 3.49Å; L397-Y405 VanDerWaalsContact CD2-CD2 3.49Å; L397-Y405 HydrophobicContact CD2-CE2 3.41Å; L397-Y405 VanDerWaalsContact CD2-CE2 3.41Å; L397-Y405 HydrophobicContact CG-CE2 4.48Å; D401-Y405 WeakPolarHBondContact O-CD2 3.42Å; R403-Y405 VanDerWaalsContact C-N 3.32Å; Y405-V407 PolarHBondContact O-N 3.29Å; Y405-F408 PolarHBondContact O-N 3.19Å; Y405-P503 HydrophobicContact CD1-CG 3.77Å; Y405-P503 HydrophobicContact CE1-CG 3.93Å; Y405-P503 HydrophobicContact CG-CG 4.07Å
406P89.5Confident88.8Confident112 Ų11287.4 Ų87.473%0.72746%0.455SS*.G310 helixtrans-63.2-18.6-177.226.4-35.6000113.3F408 A409P406-F408 PolarHBondContact O-N 2.79Å; P406-A409 WeakPolarHBondContact O-CB 3.18Å; P406-A409 PolarHBondContact O-N 3.26Å
407V89.9Confident88.9Confident60 Ų6085.5 Ų85.536%0.36445%0.452SS..G310 helixtrans-63.4-28.7176.7-157.20000112.1Y405 N424 V505Y405-V407 PolarHBondContact O-N 3.29Å; V407-N424 HydrophobicContact CG1-CB 3.8Å; V407-V505 HydrophobicContact CB-CG2 4.23Å; V407-V505 HydrophobicContact CG1-CG2 3.56Å
408F91.6Very high88.9Confident18 Ų1886.7 Ų86.78%0.07946%0.463CS..G310 helixtrans-94.1-2.9178.7-65.4-86.8000114R402 Y405 P406 K410 Y411 P503 V505R402-F408 HydrophobicContact CG-CB 4.26Å; R402-F408 HydrophobicContact CG-CD1 3.65Å; R402-F408 HydrophobicContact CG-CD2 3.73Å; R402-F408 HydrophobicContact CG-CE1 3.8Å; R402-F408 HydrophobicContact CG-CE2 3.88Å; R402-F408 HydrophobicContact CG-CG 3.61Å; R402-F408 HydrophobicContact CG-CZ 3.91Å; R402-F408 WeakPolarHBondContact O-CB 3.28Å; R402-F408 WeakPolarHBondContact O-CD2 3.4Å; Y405-F408 PolarHBondContact O-N 3.19Å; P406-F408 PolarHBondContact O-N 2.79Å; F408-K410 PolarHBondContact O-N 2.79Å; F408-Y411 AromaticContact CD1-CD2 3.98Å; F408-Y411 HydrophobicContact CD1-CD2 3.98Å; F408-Y411 HydrophobicContact CD1-CG 4.1Å; F408-Y411 HydrophobicContact CE1-CD2 4.42Å; F408-Y411 VanDerWaalsContact O-CB 3.23Å; F408-Y411 WeakPolarHBondContact O-CB 3.18Å; F408-Y411 PolarHBondContact O-N 3.06Å; F408-P503 HydrophobicContact CE2-CB 3.99Å; F408-P503 HydrophobicContact CE2-CG 4.14Å; F408-P503 HydrophobicContact CZ-CB 4.32Å; F408-V505 HydrophobicContact CD1-CG1 4.33Å; F408-V505 HydrophobicContact CD1-CG2 4.21Å; F408-V505 HydrophobicContact CE1-CB 4.28Å; F408-V505 HydrophobicContact CE1-CG1 4.1Å; F408-V505 HydrophobicContact CE1-CG2 3.73Å; F408-V505 HydrophobicContact CE2-CG2 4.08Å; F408-V505 HydrophobicContact CZ-CG2 3.66Å
409A88Confident89.2Confident83 Ų8384.5 Ų84.569%0.68645%0.45SS*.THydrogen-bonded Turntrans-62.2-15.7-176.600000114.7P406P406-A409 WeakPolarHBondContact O-CB 3.18Å; P406-A409 PolarHBondContact O-N 3.26Å
410K87.5Confident89.7Confident189 Ų18981.2 Ų81.282%0.82243%0.433SS*.THydrogen-bonded Turntrans-133.147.4172.6-62.3-176.5-179.4-179.70110.4F408F408-K410 PolarHBondContact O-N 2.79Å
411Y91.4Very high90.2Very high45 Ų4577.1 Ų77.118%0.17641%0.412CS..  trans-85.1110.5179.9179.9-97.3000111.7F408 T413 N495 V505 V506 Q507F408-Y411 AromaticContact CD1-CD2 3.98Å; F408-Y411 HydrophobicContact CD1-CD2 3.98Å; F408-Y411 HydrophobicContact CD1-CG 4.1Å; F408-Y411 HydrophobicContact CE1-CD2 4.42Å; F408-Y411 VanDerWaalsContact O-CB 3.23Å; F408-Y411 WeakPolarHBondContact O-CB 3.18Å; F408-Y411 PolarHBondContact O-N 3.06Å; Y411-T413 HydrophobicContact CE1-CG2 3.83Å; Y411-N495 PolarHBondContact OH-ND2 2.82Å; Y411-V505 HydrophobicContact CD2-CG1 3.46Å; Y411-V505 VanDerWaalsContact CD2-CG1 3.46Å; Y411-V505 HydrophobicContact CE2-CG1 3.66Å; Y411-V506 VanDerWaalsContact CE2-O 3.29Å; Y411-V506 WeakPolarHBondContact CE2-O 3.07Å; Y411-V506 PolarHBondContact OH-O 2.65Å; Y411-Q507 HydrophobicContact CD2-CG 4.36Å; Y411-Q507 HydrophobicContact CE2-CG 3.8Å
412D91.2Very high90.6Very high114 Ų11473.9 Ų73.961%0.6140%0.395SS*.  trans-113.6137.4165.5-54.2-52.3000109.1G414 Q507D412-G414 VanDerWaalsContact C-N 3.35Å; D412-Q507 VanDerWaalsContact O-CG 3.28Å; D412-Q507 WeakPolarHBondContact O-CG 3.07Å; D412-Q507 PolarHBondContact O-NE2 3.39Å; D412-Q507 VanDerWaalsContact O-NE2 3.09Å
413T90.9Very high91Very high67 Ų6774.3 Ų74.341%0.41140%0.398SS..  trans-67.1-36173.644.90000112.1Y411 L491 F508Y411-T413 HydrophobicContact CE1-CG2 3.83Å; T413-L491 HydrophobicContact CG2-CD2 4.24Å; T413-F508 WeakPolarHBondContact O-CD2 3.42Å; T413-F508 PolarHBondContact O-N 3.37Å
414G90.8Very high91.5Very high45 Ų4567.7 Ų67.746%0.46438%0.377SS..  trans85.9-177.1-176.700000113.7D412D412-G414 VanDerWaalsContact C-N 3.35Å
415T91.5Very high91.8Very high104 Ų10462 Ų6264%0.63835%0.346SS*.SBendtrans-71126.9175.450.40000110.2T417 F508T415-T417 PolarHBondContact O-N 2.9Å; T415-T417 PolarHBondContact O-OG1 2.83Å; T415-F508 WeakPolarHBondContact O-CB 3.35Å
416A91.3Very high92Very high34 Ų3458.8 Ų58.828%0.28134%0.336SS..  trans-53.7136.6178.400000111.8E484 F508A416-E484 HydrophobicContact CB-CG 3.86Å; A416-E484 WeakPolarHBondContact CB-OE1 3.3Å; A416-F508 HydrophobicContact CB-CD2 4.42Å; A416-F508 HydrophobicContact CB-CE1 4.48Å; A416-F508 HydrophobicContact CB-CE2 4.14Å; A416-F508 HydrophobicContact CB-CZ 4.19Å
417T92.5Very high92Very high37 Ų3759.7 Ų59.723%0.22733%0.331CS..  trans-160.5152.4-175.7-66.10000108T415 R419 A487 F508T415-T417 PolarHBondContact O-N 2.9Å; T415-T417 PolarHBondContact O-OG1 2.83Å; T417-R419 HydrophobicContact CG2-CB 4.32Å; T417-R419 PolarHBondContact O-N 3.36Å; T417-A487 VanDerWaalsContact O-CB 3.28Å; T417-A487 WeakPolarHBondContact O-CB 3.39Å; T417-F508 VanDerWaalsContact O-CD1 3.31Å; T417-F508 WeakPolarHBondContact O-CD1 3.33Å
418S89.6Confident92.1Very high52 Ų5260.8 Ų60.836%0.36434%0.338SS..SBendtrans-65.70.1176.958.20000115.3L481S418-L481 WeakPolarHBondContact O-CB 3.24Å; S418-L481 PolarHBondContact O-N 3.2Å
419R92.1Very high92.2Very high102 Ų10260.3 Ų60.339%0.38534%0.336SS..EExtended strand (participates in β ladder)trans-122.3131.1-178.2-168.7178.3-168.1171.15.4110.2T417 I479 A509T417-R419 HydrophobicContact CG2-CB 4.32Å; T417-R419 PolarHBondContact O-N 3.36Å; R419-I479 CarbonylContact C-O 3.54Å; R419-I479 WeakPolarHBondContact CA-O 3.33Å; R419-I479 WeakPolarHBondContact CG-O 3.45Å; R419-A509 HydrophobicContact CB-CB 4Å; R419-A509 HydrophobicContact CG-CB 3.86Å; R419-A509 VanDerWaalsContact O-CB 3.31Å; R419-A509 WeakPolarHBondContact O-CB 3.45Å; R419-A509 PolarHBondContact O-N 2.64Å
420L94.8Very high92.5Very high0 Ų059.2 Ų59.20%032%0.321CS..EExtended strand (participates in β ladder)trans-100.4153.1175.6-59.7177.6000111.2F438 F478 I479 L481 A487 A490 L491 V506 Q507 F508L420-F438 HydrophobicContact CD1-CE1 4.03Å; L420-F478 WeakPolarHBondContact O-CA 3.41Å; L420-I479 HydrophobicContact CB-CB 4.38Å; L420-I479 PolarHBondContact N-O 3.16Å; L420-I479 PolarHBondContact O-N 2.9Å; L420-L481 HydrophobicContact CD1-CD1 3.85Å; L420-L481 HydrophobicContact CG-CD1 4.24Å; L420-A487 HydrophobicContact CD2-CB 4.18Å; L420-A487 HydrophobicContact CG-CB 4.32Å; L420-A490 HydrophobicContact CD1-CB 3.92Å; L420-L491 HydrophobicContact CD2-CB 4.12Å; L420-L491 HydrophobicContact CD2-CD1 4.13Å; L420-V506 HydrophobicContact CB-CG1 4.29Å; L420-V506 HydrophobicContact CD1-CG1 3.96Å; L420-V506 HydrophobicContact CD2-CG1 4.31Å; L420-V506 HydrophobicContact CG-CG1 4.43Å; L420-Q507 CarbonylContact C-O 3.59Å; L420-Q507 WeakPolarHBondContact CA-O 3.17Å; L420-F508 HydrophobicContact CD2-CD1 3.7Å; L420-F508 HydrophobicContact CD2-CE1 3.88Å
421Y95.6Very high92.7Very high45 Ų4554.8 Ų54.818%0.17630%0.303CS..EExtended strand (participates in β ladder)trans-125.7114.6174.7174.1-139.8000108K423 Q476 F478 Q507Y421-K423 HydrophobicContact CE1-CD 4.21Å; Y421-K423 HydrophobicContact CE1-CG 4.08Å; Y421-K423 HydrophobicContact CE2-CG 4.34Å; Y421-Q476 HydrophobicContact CE2-CB 4.07Å; Y421-Q476 HydrophobicContact CE2-CG 4.44Å; Y421-Q476 PolarHBondContact OH-OE1 2.96Å; Y421-F478 AromaticContact CD2-CD1 3.93Å; Y421-F478 HydrophobicContact CD2-CD1 3.93Å; Y421-F478 AromaticContact CD2-CE1 3.49Å; Y421-F478 HydrophobicContact CD2-CE1 3.49Å; Y421-F478 VanDerWaalsContact CD2-CE1 3.49Å; Y421-F478 HydrophobicContact CD2-CE2 4.28Å; Y421-F478 HydrophobicContact CD2-CG 4.49Å; Y421-F478 AromaticContact CD2-CZ 3.69Å; Y421-F478 HydrophobicContact CD2-CZ 3.69Å; Y421-F478 HydrophobicContact CE2-CE1 4.21Å; Y421-F478 HydrophobicContact CE2-CE2 4.37Å; Y421-F478 AromaticContact CE2-CZ 3.93Å; Y421-F478 HydrophobicContact CE2-CZ 3.93Å; Y421-F478 HydrophobicContact CG-CD1 4.31Å; Y421-F478 AromaticContact CG-CE1 3.79Å; Y421-F478 HydrophobicContact CG-CE1 3.79Å; Y421-F478 HydrophobicContact CG-CZ 4.31Å; Y421-Q507 PolarHBondContact N-O 3.43Å; Y421-Q507 PolarHBondContact O-N 3.23Å
422V95.6Very high92.6Very high0 Ų055.6 Ų55.60%031%0.313CS..EExtended strand (participates in β ladder)trans-104.7134.3-175.7-171.70000109.2L425 F438 Q476 A477 I479 M504 V505 V506V422-L425 HydrophobicContact CG1-CD1 4.31Å; V422-L425 HydrophobicContact CG1-CD2 3.8Å; V422-L425 HydrophobicContact CG1-CG 4.12Å; V422-F438 HydrophobicContact CG2-CE2 4.44Å; V422-F438 HydrophobicContact CG2-CZ 4.06Å; V422-Q476 CarbonylContact O-C 3.56Å; V422-Q476 VanDerWaalsContact O-CA 3.29Å; V422-Q476 WeakPolarHBondContact O-CA 3.44Å; V422-A477 HydrophobicContact CB-CB 4.42Å; V422-A477 PolarHBondContact N-O 3.01Å; V422-A477 PolarHBondContact O-N 2.89Å; V422-I479 HydrophobicContact CG2-CD1 3.73Å; V422-I479 HydrophobicContact CG2-CG1 4.26Å; V422-M504 HydrophobicContact CG1-CB 4.06Å; V422-M504 HydrophobicContact CG1-SD 4.15Å; V422-V505 CarbonylContact C-O 3.58Å; V422-V505 WeakPolarHBondContact CA-O 3.49Å; V422-V506 HydrophobicContact CG1-CG2 4.24Å; V422-V506 HydrophobicContact CG2-CG1 4.44Å; V422-V506 HydrophobicContact CG2-CG2 4.24Å
423K94.6Very high92.7Very high61 Ų6151.9 Ų51.927%0.26529%0.293SS..EExtended strand (participates in β ladder)trans-124.6168.2179.3-57.6166.8178.2168.50110.7Y421 L425 V505Y421-K423 HydrophobicContact CE1-CD 4.21Å; Y421-K423 HydrophobicContact CE1-CG 4.08Å; Y421-K423 HydrophobicContact CE2-CG 4.34Å; K423-L425 VanDerWaalsContact C-N 3.29Å; K423-L425 PolarHBondContact O-N 3.24Å; K423-V505 HydrophobicContact CB-CB 4.27Å; K423-V505 PolarHBondContact N-O 3.13Å; K423-V505 PolarHBondContact O-N 3.16Å
424N94.7Very high92.8Very high44 Ų4448.7 Ų48.724%0.23527%0.273CS..  trans65.528.2175.9-163.549.3000114.1V407 G475 P503 V505V407-N424 HydrophobicContact CG1-CB 3.8Å; N424-G475 PolarHBondContact N-O 2.84Å; N424-P503 PolarHBondContact ND2-O 3.01Å; N424-V505 HydrophobicContact CB-CG2 4.29Å
425L95.2Very high92.8Very high4 Ų446.8 Ų46.82%0.02125%0.252CS..  trans-69.4150.8171.4-59176.1000109.9V422 K423 V429 L434 L467 G475 A477 L499 R502 M504V422-L425 HydrophobicContact CG1-CD1 4.31Å; V422-L425 HydrophobicContact CG1-CD2 3.8Å; V422-L425 HydrophobicContact CG1-CG 4.12Å; K423-L425 VanDerWaalsContact C-N 3.29Å; K423-L425 PolarHBondContact O-N 3.24Å; L425-V429 HydrophobicContact CB-CB 4.37Å; L425-V429 HydrophobicContact CB-CG2 4.1Å; L425-V429 HydrophobicContact CD1-CG1 4.45Å; L425-L434 HydrophobicContact CD1-CD1 4.06Å; L425-L434 HydrophobicContact CD1-CD2 4.15Å; L425-L434 HydrophobicContact CD2-CD2 4.12Å; L425-L467 HydrophobicContact CD1-CD1 3.87Å; L425-G475 PolarHBondContact N-O 2.99Å; L425-G475 VanDerWaalsContact N-O 3.08Å; L425-A477 HydrophobicContact CD1-CB 3.7Å; L425-L499 HydrophobicContact CD2-CD2 4.31Å; L425-R502 PolarHBondContact O-NH1 2.72Å; L425-M504 HydrophobicContact CD2-CB 4.17Å
426S93Very high92.6Very high19 Ų1942.7 Ų42.713%0.13323%0.229CC..  trans-67.8154.2166.8-177.20000110.1T428 V429S426-T428 WeakPolarHBondContact CB-OG1 3.48Å; S426-T428 PolarHBondContact O-N 3.47Å; S426-T428 PolarHBondContact OG-N 2.88Å; S426-T428 PolarHBondContact OG-OG1 2.8Å; S426-V429 WeakPolarHBondContact O-CB 3.5Å; S426-V429 WeakPolarHBondContact O-CG2 3.33Å; S426-V429 PolarHBondContact O-N 3.18Å
427Q90.4Very high92.6Very high131 Ų13141.2 Ų41.261%0.61222%0.216SC*.THydrogen-bonded Turntrans-68.8-13.1170.5-69170106.800112.2K474Q427-K474 HydrophobicContact CG-CD 4.5Å
428T92.5Very high92.5Very high82 Ų8239.4 Ų39.450%0.50321%0.206SC..THydrogen-bonded Turntrans-84.3-9.1173.457.60000113.6S426S426-T428 WeakPolarHBondContact CB-OG1 3.48Å; S426-T428 PolarHBondContact O-N 3.47Å; S426-T428 PolarHBondContact OG-N 2.88Å; S426-T428 PolarHBondContact OG-OG1 2.8Å
429V93.6Very high92.3Very high8 Ų837 Ų375%0.04819%0.188CC..  trans-68.4132.7179.4173.50000109.7L425 S426 D433 L434 L467 L499 Y500L425-V429 HydrophobicContact CB-CB 4.37Å; L425-V429 HydrophobicContact CB-CG2 4.1Å; L425-V429 HydrophobicContact CD1-CG1 4.45Å; S426-V429 WeakPolarHBondContact O-CB 3.5Å; S426-V429 WeakPolarHBondContact O-CG2 3.33Å; S426-V429 PolarHBondContact O-N 3.18Å; V429-D433 HydrophobicContact CG1-CB 4.34Å; V429-L434 HydrophobicContact CG1-CD1 4.38Å; V429-L434 HydrophobicContact CG1-CD2 4.15Å; V429-L434 HydrophobicContact CG1-CG 3.9Å; V429-L467 WeakPolarHBondContact O-CD2 3.35Å; V429-L499 HydrophobicContact CG1-CD2 4.04Å; V429-L499 HydrophobicContact CG2-CD2 3.62Å; V429-L499 HydrophobicContact CG2-CG 3.96Å; V429-Y500 HydrophobicContact CG2-CD2 3.68Å; V429-Y500 HydrophobicContact CG2-CE2 3.99Å
430T93.6Very high91.9Very high60 Ų6032.7 Ų32.737%0.36817%0.173SC..  trans-103.3164.4173.562.40000111.2T432 D433 L434T430-T432 WeakPolarHBondContact CB-OG1 3.2Å; T430-T432 PolarHBondContact O-N 3.26Å; T430-T432 PolarHBondContact OG1-OG1 3.22Å; T430-D433 PolarHBondContact N-OD2 3.05Å; T430-D433 PolarHBondContact O-N 3.11Å; T430-D433 PolarHBondContact OG1-N 3.46Å; T430-D433 PolarHBondContact OG1-OD1 3.22Å; T430-D433 PolarHBondContact OG1-OD2 3.47Å; T430-L434 PolarHBondContact O-N 3.49Å
431E91.2Very high91.5Very high96 Ų9632.7 Ų32.745%0.44917%0.173SC..Hα-helixtrans-64.9-29173.3-65.6-166.4145.900111.9L434 F435 I465 L467E431-L434 PolarHBondContact O-N 3.06Å; E431-F435 WeakPolarHBondContact O-CB 3.43Å; E431-F435 PolarHBondContact O-N 3.45Å; E431-I465 HydrophobicContact CB-CG2 4.47Å; E431-I465 HydrophobicContact CG-CG2 4.43Å; E431-L467 HydrophobicContact CG-CB 3.55Å; E431-L467 HydrophobicContact CG-CD2 4.18Å; E431-L467 WeakPolarHBondContact OE1-CB 3.42Å; E431-L467 PolarHBondContact OE1-N 3.34Å
432T90.3Very high90.7Very high62 Ų6231.2 Ų31.238%0.3817%0.17SC..Hα-helixtrans-65.2-35.3173.438.90000113.4V384 T430 F435 A436V384-T432 HydrophobicContact CG2-CG2 3.98Å; T430-T432 WeakPolarHBondContact CB-OG1 3.2Å; T430-T432 PolarHBondContact O-N 3.26Å; T430-T432 PolarHBondContact OG1-OG1 3.22Å; T432-F435 PolarHBondContact O-N 3.26Å; T432-A436 PolarHBondContact O-N 2.92Å
433D92.3Very high89.4Confident36 Ų3637.4 Ų37.419%0.19320%0.203CC..Hα-helixtrans-67.3-42.3175-55.3-44.7000111.2V429 T430 F435 A436 I437 Y500V429-D433 HydrophobicContact CG1-CB 4.34Å; T430-D433 PolarHBondContact N-OD2 3.05Å; T430-D433 PolarHBondContact O-N 3.11Å; T430-D433 PolarHBondContact OG1-N 3.46Å; T430-D433 PolarHBondContact OG1-OD1 3.22Å; T430-D433 PolarHBondContact OG1-OD2 3.47Å; D433-F435 VanDerWaalsContact C-N 3.3Å; D433-F435 PolarHBondContact O-N 3.36Å; D433-A436 PolarHBondContact O-N 3.21Å; D433-I437 WeakPolarHBondContact O-CG1 3.2Å; D433-I437 PolarHBondContact O-N 3.4Å; D433-Y500 PolarHBondContact OD1-OH 3.3Å; D433-Y500 PolarHBondContact OD2-OH 3.01Å
434L92.9Very high87.9Confident0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-66.6-34.4174.4-65.1179.5000111.5L425 V429 T430 E431 I437 F438 I465 L467 A477 L499L425-L434 HydrophobicContact CD1-CD1 4.06Å; L425-L434 HydrophobicContact CD1-CD2 4.15Å; L425-L434 HydrophobicContact CD2-CD2 4.12Å; V429-L434 HydrophobicContact CG1-CD1 4.38Å; V429-L434 HydrophobicContact CG1-CD2 4.15Å; V429-L434 HydrophobicContact CG1-CG 3.9Å; T430-L434 PolarHBondContact O-N 3.49Å; E431-L434 PolarHBondContact O-N 3.06Å; L434-I437 PolarHBondContact O-N 3.43Å; L434-F438 HydrophobicContact CD2-CE2 4.43Å; L434-F438 WeakPolarHBondContact O-CB 3.28Å; L434-F438 WeakPolarHBondContact O-CD2 3.38Å; L434-F438 PolarHBondContact O-N 3.49Å; L434-I465 HydrophobicContact CB-CD1 4.03Å; L434-I465 HydrophobicContact CB-CG2 4.01Å; L434-I465 HydrophobicContact CD1-CG2 3.92Å; L434-L467 HydrophobicContact CD1-CD1 4.13Å; L434-A477 HydrophobicContact CD1-CB 3.51Å; L434-L499 HydrophobicContact CD2-CD2 4.47Å
435F90.5Very high86.3Confident5 Ų536.9 Ų36.92%0.02221%0.21CC..Hα-helixtrans-66.7-39.2174.5-166.3-82.7000111.7V384 V386 E431 T432 D433 I437 G439 V455 L457 F463 I465V384-F435 HydrophobicContact CB-CD1 3.64Å; V384-F435 HydrophobicContact CB-CE1 3.98Å; V384-F435 HydrophobicContact CG1-CD1 3.84Å; V384-F435 HydrophobicContact CG2-CD1 4.07Å; V384-F435 HydrophobicContact CG2-CE1 4.49Å; V386-F435 HydrophobicContact CG2-CE1 4.41Å; E431-F435 WeakPolarHBondContact O-CB 3.43Å; E431-F435 PolarHBondContact O-N 3.45Å; T432-F435 PolarHBondContact O-N 3.26Å; D433-F435 VanDerWaalsContact C-N 3.3Å; D433-F435 PolarHBondContact O-N 3.36Å; F435-I437 VanDerWaalsContact C-N 3.29Å; F435-I437 PolarHBondContact O-N 3.08Å; F435-G439 VanDerWaalsContact O-CA 3.23Å; F435-G439 WeakPolarHBondContact O-CA 3.26Å; F435-G439 PolarHBondContact O-N 3.47Å; F435-V455 HydrophobicContact CE1-CB 3.91Å; F435-V455 HydrophobicContact CE1-CG1 4.35Å; F435-V455 HydrophobicContact CZ-CB 3.84Å; F435-V455 HydrophobicContact CZ-CG1 3.76Å; F435-L457 HydrophobicContact CD2-CD1 3.64Å; F435-L457 HydrophobicContact CE2-CD1 3.67Å; F435-L457 HydrophobicContact CG-CD1 4.28Å; F435-L457 HydrophobicContact CZ-CD1 4.31Å; F435-F463 AromaticContact CD2-CE1 3.87Å; F435-F463 HydrophobicContact CD2-CE1 3.87Å; F435-F463 HydrophobicContact CE2-CD1 4.41Å; F435-F463 AromaticContact CE2-CE1 3.98Å; F435-F463 HydrophobicContact CE2-CE1 3.98Å; F435-I465 VanDerWaalsContact CA-CD1 3.46Å; F435-I465 HydrophobicContact CB-CD1 3.81Å; F435-I465 HydrophobicContact CD2-CD1 4.08Å; F435-I465 HydrophobicContact CG-CD1 4.38Å
436A88.4Confident84.9Confident18 Ų1838 Ų3815%0.14922%0.217CC..Hα-helixtrans-62.1-35.3174.600000112.7V384 L387 T432 D433V384-A436 HydrophobicContact CG1-CB 4.16Å; L387-A436 PolarHBondContact N-O 2.81Å; T432-A436 PolarHBondContact O-N 2.92Å; D433-A436 PolarHBondContact O-N 3.21Å
437I90.7Very high83.2Confident3 Ų343.2 Ų43.22%0.01525%0.248CC..Hα-helixtrans-83.7-46.4-179.6-62.4161.3000112.3L387 I392 D433 L434 F435 T494 Y497 L499 M504L387-I437 HydrophobicContact CD1-CG1 3.8Å; I392-I437 HydrophobicContact CD1-CG2 4.26Å; I392-I437 WeakPolarHBondContact CD1-O 3.32Å; D433-I437 WeakPolarHBondContact O-CG1 3.2Å; D433-I437 PolarHBondContact O-N 3.4Å; L434-I437 PolarHBondContact O-N 3.43Å; F435-I437 VanDerWaalsContact C-N 3.29Å; F435-I437 PolarHBondContact O-N 3.08Å; I437-T494 HydrophobicContact CG2-CG2 3.8Å; I437-Y497 HydrophobicContact CD1-CD1 4.19Å; I437-Y497 HydrophobicContact CD1-CE1 3.76Å; I437-Y497 HydrophobicContact CG1-CE1 4.32Å; I437-L499 HydrophobicContact CD1-CD1 4.22Å; I437-L499 HydrophobicContact CD1-CD2 3.89Å; I437-M504 HydrophobicContact CD1-CE 3.69Å
438F90.7Very high81.7Confident0 Ų042 Ų420%025%0.246CC..Hα-helixtrans-94.8-12.1-173-71.7-90.8000113.8L420 V422 L434 V440 F441 F463 I479 T494 M504 V506L420-F438 HydrophobicContact CD1-CE1 4.03Å; V422-F438 HydrophobicContact CG2-CE2 4.44Å; V422-F438 HydrophobicContact CG2-CZ 4.06Å; L434-F438 HydrophobicContact CD2-CE2 4.43Å; L434-F438 WeakPolarHBondContact O-CB 3.28Å; L434-F438 WeakPolarHBondContact O-CD2 3.38Å; L434-F438 PolarHBondContact O-N 3.49Å; F438-V440 PolarHBondContact O-N 2.7Å; F438-F441 PolarHBondContact O-N 3.45Å; F438-F463 HydrophobicContact CB-CE2 3.93Å; F438-F463 HydrophobicContact CB-CZ 3.83Å; F438-I479 HydrophobicContact CB-CD1 4.2Å; F438-I479 HydrophobicContact CB-CG2 4.2Å; F438-I479 HydrophobicContact CD1-CD1 3.69Å; F438-I479 HydrophobicContact CD1-CG2 4.19Å; F438-I479 HydrophobicContact CD2-CD1 3.26Å; F438-I479 HydrophobicContact CE1-CD1 3.77Å; F438-I479 HydrophobicContact CE2-CD1 3.36Å; F438-I479 HydrophobicContact CG-CD1 3.43Å; F438-I479 VanDerWaalsContact CG-CD1 3.43Å; F438-I479 HydrophobicContact CG-CG2 4.25Å; F438-I479 HydrophobicContact CZ-CD1 3.62Å; F438-T494 HydrophobicContact CD1-CG2 4.31Å; F438-T494 HydrophobicContact CE1-CG2 3.74Å; F438-T494 WeakPolarHBondContact CE1-OG1 3.33Å; F438-T494 HydrophobicContact CE2-CG2 4.37Å; F438-T494 HydrophobicContact CZ-CG2 3.78Å; F438-T494 WeakPolarHBondContact CZ-OG1 3.34Å; F438-M504 HydrophobicContact CE2-SD 4.11Å; F438-M504 HydrophobicContact CZ-SD 4.18Å; F438-V506 HydrophobicContact CZ-CG2 4.4Å
439G85.8Confident80Confident0 Ų040.6 Ų40.60%024%0.24CC..G310 helixtrans-60.7-20.9176.300000114F435 F441 S442F435-G439 VanDerWaalsContact O-CA 3.23Å; F435-G439 WeakPolarHBondContact O-CA 3.26Å; F435-G439 PolarHBondContact O-N 3.47Å; G439-F441 PolarHBondContact O-N 3.44Å; G439-S442 WeakPolarHBondContact O-CB 3.5Å; G439-S442 PolarHBondContact O-N 3.33Å; G439-S442 PolarHBondContact O-OG 3.29Å
440V84.1Confident78Confident12 Ų1245 Ų457%0.07327%0.271CS..G310 helixtrans-58.5-36.4173.6-152.10000110.7V386 L387 I392 F438 V446V386-V440 HydrophobicContact CG1-CB 4.26Å; V386-V440 HydrophobicContact CG1-CG2 3.69Å; L387-V440 WeakPolarHBondContact O-CG2 3.23Å; I392-V440 HydrophobicContact CD1-CG2 3.67Å; F438-V440 PolarHBondContact O-N 2.7Å; V440-V446 HydrophobicContact CB-CG2 4.43Å; V440-V446 HydrophobicContact CG1-CG1 4.31Å; V440-V446 HydrophobicContact CG1-CG2 3.86Å; V440-V446 WeakPolarHBondContact O-CG2 3.42Å
441F85.7Confident76Confident0 Ų045.8 Ų45.80%028%0.278CS..G310 helixtrans-91.93.7-174-53-75.2000112.9L389 I392 F438 G439 N443 V446 L481 T486 Q489 A490 A493 T494L389-F441 HydrophobicContact CD1-CE1 4.11Å; L389-F441 HydrophobicContact CD1-CZ 3.68Å; I392-F441 HydrophobicContact CD1-CE2 4.45Å; F438-F441 PolarHBondContact O-N 3.45Å; G439-F441 PolarHBondContact O-N 3.44Å; F441-N443 VanDerWaalsContact C-N 3.3Å; F441-N443 PolarHBondContact O-N 2.93Å; F441-V446 HydrophobicContact CD1-CG2 3.89Å; F441-V446 HydrophobicContact CE1-CG2 4.16Å; F441-L481 HydrophobicContact CB-CD2 3.63Å; F441-T486 HydrophobicContact CB-CG2 3.81Å; F441-T486 WeakPolarHBondContact O-CG2 3.47Å; F441-Q489 HydrophobicContact CE1-CG 4.17Å; F441-A490 HydrophobicContact CB-CB 4.35Å; F441-A490 HydrophobicContact CD1-CB 3.94Å; F441-A490 HydrophobicContact CD2-CB 3.65Å; F441-A490 HydrophobicContact CE1-CB 4.12Å; F441-A490 HydrophobicContact CE2-CB 3.86Å; F441-A490 HydrophobicContact CG-CB 3.7Å; F441-A490 HydrophobicContact CZ-CB 4.09Å; F441-A493 HydrophobicContact CZ-CB 3.97Å; F441-T494 HydrophobicContact CE2-CG2 4.28Å
442S79.5Confident74.4Confident14 Ų1446 Ų4610%0.09828%0.278CS..G310 helixtrans-65.5-35178.467.80000112.2G439G439-S442 WeakPolarHBondContact O-CB 3.5Å; G439-S442 PolarHBondContact O-N 3.33Å; G439-S442 PolarHBondContact O-OG 3.29Å
443N66.8Low72.8Confident130 Ų13044.5 Ų44.570%0.69527%0.269SS*.G310 helixtrans-902.6-173.1-65.3-3.9000113.6F441F441-N443 VanDerWaalsContact C-N 3.3Å; F441-N443 PolarHBondContact O-N 2.93Å
444G64.8Low70.8Confident12 Ų1251.6 Ų51.612%0.12429%0.293CS..SBendtrans119.4-167.1-178.900000113.3V446 T486G444-V446 PolarHBondContact O-N 2.89Å; G444-T486 WeakPolarHBondContact O-CG2 3.3Å
445P60.9Low69.1Low82 Ų8252.2 Ų52.253%0.53230%0.297SS..SBendtrans-65.7131.4173.129.6-32.7000110T447 T486 Q489P445-T447 PolarHBondContact O-N 2.83Å; P445-T486 WeakPolarHBondContact CD-OG1 3.06Å; P445-Q489 VanDerWaalsContact CA-OE1 3.27Å
446V65.1Low67.3Low27 Ų2754.3 Ų54.316%0.16431%0.312CS..  trans-87.3111.2-172.4-176.50000108.5L389 V440 F441 G444 D448 Q489L389-V446 HydrophobicContact CD2-CG1 4.48Å; V440-V446 HydrophobicContact CB-CG2 4.43Å; V440-V446 HydrophobicContact CG1-CG1 4.31Å; V440-V446 HydrophobicContact CG1-CG2 3.86Å; V440-V446 WeakPolarHBondContact O-CG2 3.42Å; F441-V446 HydrophobicContact CD1-CG2 3.89Å; F441-V446 HydrophobicContact CE1-CG2 4.16Å; G444-V446 PolarHBondContact O-N 2.89Å; V446-D448 WeakPolarHBondContact CG1-O 3.28Å; V446-Q489 PolarHBondContact O-NE2 2.98Å
447T57.8Low65.8Low129 Ų12957 Ų5779%0.79132%0.323SS*.  trans-86-31.9171.952.10000112.2P445P445-T447 PolarHBondContact O-N 2.83Å
448D57.7Low64Low106 Ų10662.5 Ų62.557%0.56735%0.353SS*.  trans-110.2106.6-166.6-61.916.3000109.4V446 S450V446-D448 WeakPolarHBondContact CG1-O 3.28Å; D448-S450 VanDerWaalsContact C-N 3.26Å; D448-S450 PolarHBondContact O-N 2.62Å
449S57.2Low62Low53 Ų5366.8 Ų66.837%0.37138%0.383SS..THydrogen-bonded Turntrans-68.3-19.7-171.953.10000115
450S52.8Low60.6Low99 Ų9968.8 Ų68.869%0.69240%0.395SS*.THydrogen-bonded Turntrans-92.3-9.3-169.760.20000115.7D448D448-S450 VanDerWaalsContact C-N 3.26Å; D448-S450 PolarHBondContact O-N 2.62Å
451C51.2Low59.5Low77 Ų7777.4 Ų77.452%0.5244%0.435SS..  trans-82.5124.2-174.1-1670000112.4P453C451-P453 WeakPolarHBondContact O-CD 3.39Å
452K56.6Low58.7Low102 Ų10286.2 Ų86.244%0.44347%0.468SS..  trans-105.185.6169.3-66.5-166.9-178.5-163.80110.5S388 E391S388-K452 WeakPolarHBondContact OG-CE 3.3Å; S388-K452 VanDerWaalsContact OG-CG 3.23Å; S388-K452 WeakPolarHBondContact OG-CG 3.26Å; E391-K452 IonicContact OE1-NZ 2.66Å; E391-K452 PolarHBondContact OE1-NZ 3.21Å; E391-K452 VanDerWaalsContact OE2-CE 3.31Å; E391-K452 WeakPolarHBondContact OE2-CE 3.35Å; E391-K452 IonicContact OE2-NZ 3.58Å; E391-K452 PolarHBondContact OE2-NZ 2.84Å
453P56.5Low59Low30 Ų3085.8 Ų85.820%0.19546%0.464CS..  trans-69.2139.117829.2-34.7000111V386 C451 V455V386-P453 WeakPolarHBondContact CG2-O 3.49Å; C451-P453 WeakPolarHBondContact O-CD 3.39Å; P453-V455 HydrophobicContact CB-CG2 4.07Å; P453-V455 HydrophobicContact CG-CG2 4.16Å; P453-V455 PolarHBondContact O-N 2.96Å
454R51.1Low60.1Low184 Ų18482.7 Ų82.769%0.69445%0.453SS*.EExtended strand (participates in β ladder)trans-84.9104161.1-77.4-177.6170.3153.6-1.8107.9
455V56.9Low61.4Low14 Ų1483.7 Ų83.79%0.08546%0.455CS..EExtended strand (participates in β ladder)trans-95.6129.8178-170.60000108.4V386 F435 P453V386-V455 HydrophobicContact CG2-CB 4.5Å; V386-V455 HydrophobicContact CG2-CG2 4.08Å; F435-V455 HydrophobicContact CE1-CB 3.91Å; F435-V455 HydrophobicContact CE1-CG1 4.35Å; F435-V455 HydrophobicContact CZ-CB 3.84Å; F435-V455 HydrophobicContact CZ-CG1 3.76Å; P453-V455 HydrophobicContact CB-CG2 4.07Å; P453-V455 HydrophobicContact CG-CG2 4.16Å; P453-V455 PolarHBondContact O-N 2.96Å
456S52.8Low62.9Low48 Ų4887.2 Ų87.234%0.33646%0.457SS..EExtended strand (participates in β ladder)trans-75135.2172.844.20000110.2D458S456-D458 PolarHBondContact O-N 3.19Å
457L58.1Low64.3Low75 Ų7586.9 Ų86.939%0.39346%0.455SS..THydrogen-bonded Turntrans-64.3-25.5-174.6-17160.9000113.4N382 F435N382-L457 PolarHBondContact O-N 2.94Å; F435-L457 HydrophobicContact CD2-CD1 3.64Å; F435-L457 HydrophobicContact CE2-CD1 3.67Å; F435-L457 HydrophobicContact CG-CD1 4.28Å; F435-L457 HydrophobicContact CZ-CD1 4.31Å
458D51.9Low65.9Low119 Ų11982.2 Ų82.264%0.63642%0.424SS*.THydrogen-bonded Turntrans-89-5.9-166.7-50.8-51.8000115.2N382 S456N382-D458 PolarHBondContact ND2-OD1 2.94Å; N382-D458 PolarHBondContact ND2-OD2 2.78Å; S456-D458 PolarHBondContact O-N 3.19Å
459S47.8Very low67.5Low90 Ų9081.7 Ų81.763%0.62943%0.426SS*.  trans-130.665.5-169-166.20000113.6
460T57.8Low69Low42 Ų4286.9 Ų86.926%0.25844%0.444SS..  trans-134.173.5174.740.10000113.3R462 F463T460-R462 PolarHBondContact O-N 3.02Å; T460-F463 VanDerWaalsContact CB-O 3.23Å; T460-F463 WeakPolarHBondContact CB-O 3.47Å; T460-F463 HydrophobicContact CG2-CB 3.91Å; T460-F463 HydrophobicContact CG2-CD1 4.05Å; T460-F463 HydrophobicContact CG2-CG 4.46Å; T460-F463 PolarHBondContact O-N 2.88Å; T460-F463 PolarHBondContact OG1-O 2.91Å; T460-F463 VanDerWaalsContact OG1-O 3.08Å
461E61.3Low70.8Confident193 Ų19385 Ų8590%0.90244%0.44SS*.THydrogen-bonded Turntrans-54.4-26.6171.4-62.3-175.6159.100113.7
462R68Low72.7Confident185 Ų18593.1 Ų93.170%0.69846%0.46SS*.THydrogen-bonded Turntrans-110.4-0.1-175.9-56.5-175.7-174174.72114.3T460 L481 A482T460-R462 PolarHBondContact O-N 3.02Å; R462-L481 CarbonylContact O-C 3.6Å; R462-L481 VanDerWaalsContact O-C 3.27Å; R462-A482 HydrophobicContact CB-CB 3.9Å; R462-A482 PolarHBondContact O-N 2.95Å
463F86.1Confident74.3Confident5 Ų592.6 Ų92.62%0.02246%0.46CS..  trans-135.2123.9179.6173.3-103.6000110.1F435 F438 T460 I465 I479 G480 L481F435-F463 AromaticContact CD2-CE1 3.87Å; F435-F463 HydrophobicContact CD2-CE1 3.87Å; F435-F463 HydrophobicContact CE2-CD1 4.41Å; F435-F463 AromaticContact CE2-CE1 3.98Å; F435-F463 HydrophobicContact CE2-CE1 3.98Å; F438-F463 HydrophobicContact CB-CE2 3.93Å; F438-F463 HydrophobicContact CB-CZ 3.83Å; T460-F463 VanDerWaalsContact CB-O 3.23Å; T460-F463 WeakPolarHBondContact CB-O 3.47Å; T460-F463 HydrophobicContact CG2-CB 3.91Å; T460-F463 HydrophobicContact CG2-CD1 4.05Å; T460-F463 HydrophobicContact CG2-CG 4.46Å; T460-F463 PolarHBondContact O-N 2.88Å; T460-F463 PolarHBondContact OG1-O 2.91Å; T460-F463 VanDerWaalsContact OG1-O 3.08Å; F463-I465 HydrophobicContact CE1-CD1 3.86Å; F463-I465 HydrophobicContact CE1-CG1 3.91Å; F463-I465 HydrophobicContact CE2-CG1 4.49Å; F463-I465 HydrophobicContact CZ-CD1 3.74Å; F463-I465 HydrophobicContact CZ-CG1 3.78Å; F463-I479 HydrophobicContact CD2-CG2 4.42Å; F463-I479 HydrophobicContact CE2-CG2 3.75Å; F463-I479 HydrophobicContact CZ-CG2 4.45Å; F463-G480 WeakPolarHBondContact CA-O 3.47Å; F463-G480 VanDerWaalsContact CD2-O 3.26Å; F463-G480 WeakPolarHBondContact CD2-O 3.44Å; F463-L481 HydrophobicContact CD2-CD2 3.7Å; F463-L481 HydrophobicContact CE2-CD2 3.89Å
464S89Confident75.9Confident65 Ų6596.2 Ų96.246%0.45547%0.473SS..EExtended strand (participates in β ladder)trans-138.5128.7-176.349.90000110.6I479 G480S464-I479 CarbonylContact O-C 3.56Å; S464-I479 VanDerWaalsContact O-CA 3.28Å; S464-I479 WeakPolarHBondContact O-CA 3.27Å; S464-G480 PolarHBondContact N-O 3.39Å; S464-G480 VanDerWaalsContact N-O 3.11Å; S464-G480 PolarHBondContact O-N 3.42Å
465I91.9Very high77.9Confident32 Ų3288 Ų8816%0.16444%0.444CS..EExtended strand (participates in β ladder)trans-104.2137.8170.4-57.7179.2000107.1E431 L434 F435 F463E431-I465 HydrophobicContact CB-CG2 4.47Å; E431-I465 HydrophobicContact CG-CG2 4.43Å; L434-I465 HydrophobicContact CB-CD1 4.03Å; L434-I465 HydrophobicContact CB-CG2 4.01Å; L434-I465 HydrophobicContact CD1-CG2 3.92Å; F435-I465 VanDerWaalsContact CA-CD1 3.46Å; F435-I465 HydrophobicContact CB-CD1 3.81Å; F435-I465 HydrophobicContact CD2-CD1 4.08Å; F435-I465 HydrophobicContact CG-CD1 4.38Å; F463-I465 HydrophobicContact CE1-CD1 3.86Å; F463-I465 HydrophobicContact CE1-CG1 3.91Å; F463-I465 HydrophobicContact CE2-CG1 4.49Å; F463-I465 HydrophobicContact CZ-CD1 3.74Å; F463-I465 HydrophobicContact CZ-CG1 3.78Å
466R92.7Very high79.7Confident157 Ų15789 Ų8959%0.59245%0.448SS*.EExtended strand (participates in β ladder)trans-138102.2169.2-178.5177.7179.41721.9108.6L468 A477 F478R466-L468 HydrophobicContact CG-CD2 4.48Å; R466-A477 CarbonylContact O-C 3.44Å; R466-A477 WeakPolarHBondContact O-CA 3.28Å; R466-F478 PolarHBondContact N-O 3.22Å; R466-F478 PolarHBondContact O-N 3.02Å
467L94.2Very high81.8Confident20 Ų2086.7 Ų86.711%0.10543%0.432CS..EExtended strand (participates in β ladder)trans-79139.5172.9-179.466.2000110L425 V429 E431 L434 T469 A477L425-L467 HydrophobicContact CD1-CD1 3.87Å; V429-L467 WeakPolarHBondContact O-CD2 3.35Å; E431-L467 HydrophobicContact CG-CB 3.55Å; E431-L467 HydrophobicContact CG-CD2 4.18Å; E431-L467 WeakPolarHBondContact OE1-CB 3.42Å; E431-L467 PolarHBondContact OE1-N 3.34Å; L434-L467 HydrophobicContact CD1-CD1 4.13Å; L467-T469 HydrophobicContact CD2-CG2 3.72Å; L467-T469 HydrophobicContact CG-CG2 3.93Å; L467-A477 HydrophobicContact CD1-CB 4.17Å
468L93.1Very high83.5Confident30 Ų3085.5 Ų85.516%0.15742%0.424CS..EExtended strand (participates in β ladder)trans-101.3101.9170.4-54.6-177.2000107.3R466 M473 K474 G475 Q476 F478R466-L468 HydrophobicContact CG-CD2 4.48Å; L468-M473 WeakPolarHBondContact CB-O 3.4Å; L468-M473 HydrophobicContact CD1-CB 3.85Å; L468-M473 HydrophobicContact CD1-CE 3.8Å; L468-M473 HydrophobicContact CD1-SD 4.46Å; L468-K474 CarbonylContact O-C 3.52Å; L468-K474 VanDerWaalsContact O-CA 3.28Å; L468-K474 WeakPolarHBondContact O-CA 3.47Å; L468-G475 PolarHBondContact O-N 2.84Å; L468-Q476 WeakPolarHBondContact CA-O 3.29Å; L468-Q476 HydrophobicContact CB-CB 4.45Å; L468-Q476 WeakPolarHBondContact CB-O 3.24Å; L468-Q476 HydrophobicContact CD1-CB 4.25Å; L468-Q476 PolarHBondContact N-O 3.49Å; L468-F478 HydrophobicContact CD1-CD2 4.45Å; L468-F478 HydrophobicContact CD1-CE2 4.1Å
469T90.8Very high85.5Confident96 Ų9679.8 Ų79.859%0.58939%0.394SS*.  trans-87.9-29179.647.60000112.4L467 K474L467-T469 HydrophobicContact CD2-CG2 3.72Å; L467-T469 HydrophobicContact CG-CG2 3.93Å; T469-K474 WeakPolarHBondContact O-CB 3.48Å
470E89.2Confident87.6Confident162 Ų16276 Ų7676%0.75737%0.369SS*.SBendtrans-111.6162.8-167.7-68.4-175.6-175.100115.4K474E470-K474 PolarHBondContact O-N 3.4Å
471G90.7Very high89.2Confident59 Ų5974.4 Ų74.461%0.60836%0.359SS*.G310 helixtrans65.3-157.3172.900000114.9M473 K474G471-M473 PolarHBondContact O-N 3.39Å; G471-K474 WeakPolarHBondContact O-CG 3.36Å; G471-K474 PolarHBondContact O-N 3.33Å
472R90.2Very high90.3Very high247 Ų24767.6 Ų67.693%0.93234%0.335SS*.G310 helixtrans-66.8-18.1179.8-177.5176.317296.33.1113.2
473M89.6Confident91.1Very high91 Ų9161.3 Ų61.345%0.44832%0.319SS..G310 helixtrans-97.37.9-177.4-64.3-171.669.300113.6L468 G471 Q476L468-M473 WeakPolarHBondContact CB-O 3.4Å; L468-M473 HydrophobicContact CD1-CB 3.85Å; L468-M473 HydrophobicContact CD1-CE 3.8Å; L468-M473 HydrophobicContact CD1-SD 4.46Å; G471-M473 PolarHBondContact O-N 3.39Å; M473-Q476 VanDerWaalsContact O-CB 3.3Å; M473-Q476 WeakPolarHBondContact O-CB 3.37Å; M473-Q476 VanDerWaalsContact O-CG 3.26Å; M473-Q476 WeakPolarHBondContact O-CG 3.48Å; M473-Q476 PolarHBondContact O-OE1 3.47Å
474K91.4Very high91.3Very high107 Ų10764.8 Ų64.847%0.46534%0.335SS..  trans-56.6145178.368.8-179.1-179.91710113.6Q427 L468 T469 E470 G471Q427-K474 HydrophobicContact CG-CD 4.5Å; L468-K474 CarbonylContact O-C 3.52Å; L468-K474 VanDerWaalsContact O-CA 3.28Å; L468-K474 WeakPolarHBondContact O-CA 3.47Å; T469-K474 WeakPolarHBondContact O-CB 3.48Å; E470-K474 PolarHBondContact O-N 3.4Å; G471-K474 WeakPolarHBondContact O-CG 3.36Å; G471-K474 PolarHBondContact O-N 3.33Å
475G92.3Very high91.4Very high10 Ų1067 Ų6710%0.10334%0.342CS..SBendtrans77.829.6-177.700000113.5N424 L425 L468N424-G475 PolarHBondContact N-O 2.84Å; L425-G475 PolarHBondContact N-O 2.99Å; L425-G475 VanDerWaalsContact N-O 3.08Å; L468-G475 PolarHBondContact O-N 2.84Å
476Q95.3Very high91.3Very high36 Ų3665.6 Ų65.617%0.16833%0.334CS..EExtended strand (participates in β ladder)trans-132.5150.9177.8-60.1167.420.500109Y421 V422 L468 M473Y421-Q476 HydrophobicContact CE2-CB 4.07Å; Y421-Q476 HydrophobicContact CE2-CG 4.44Å; Y421-Q476 PolarHBondContact OH-OE1 2.96Å; V422-Q476 CarbonylContact O-C 3.56Å; V422-Q476 VanDerWaalsContact O-CA 3.29Å; V422-Q476 WeakPolarHBondContact O-CA 3.44Å; L468-Q476 WeakPolarHBondContact CA-O 3.29Å; L468-Q476 HydrophobicContact CB-CB 4.45Å; L468-Q476 WeakPolarHBondContact CB-O 3.24Å; L468-Q476 HydrophobicContact CD1-CB 4.25Å; L468-Q476 PolarHBondContact N-O 3.49Å; M473-Q476 VanDerWaalsContact O-CB 3.3Å; M473-Q476 WeakPolarHBondContact O-CB 3.37Å; M473-Q476 VanDerWaalsContact O-CG 3.26Å; M473-Q476 WeakPolarHBondContact O-CG 3.48Å; M473-Q476 PolarHBondContact O-OE1 3.47Å
477A95.9Very high91.3Very high0 Ų058.1 Ų58.10%031%0.306CS..EExtended strand (participates in β ladder)trans-141.5154.8175.800000111.9V422 L425 L434 R466 L467V422-A477 HydrophobicContact CB-CB 4.42Å; V422-A477 PolarHBondContact N-O 3.01Å; V422-A477 PolarHBondContact O-N 2.89Å; L425-A477 HydrophobicContact CD1-CB 3.7Å; L434-A477 HydrophobicContact CD1-CB 3.51Å; R466-A477 CarbonylContact O-C 3.44Å; R466-A477 WeakPolarHBondContact O-CA 3.28Å; L467-A477 HydrophobicContact CD1-CB 4.17Å
478F94.8Very high91.3Very high49 Ų4960.6 Ų60.622%0.21532%0.316CS..EExtended strand (participates in β ladder)trans-114.2136.5168.5-72.4-77.6000110.1L420 Y421 R466 L468 A509L420-F478 WeakPolarHBondContact O-CA 3.41Å; Y421-F478 AromaticContact CD2-CD1 3.93Å; Y421-F478 HydrophobicContact CD2-CD1 3.93Å; Y421-F478 AromaticContact CD2-CE1 3.49Å; Y421-F478 HydrophobicContact CD2-CE1 3.49Å; Y421-F478 VanDerWaalsContact CD2-CE1 3.49Å; Y421-F478 HydrophobicContact CD2-CE2 4.28Å; Y421-F478 HydrophobicContact CD2-CG 4.49Å; Y421-F478 AromaticContact CD2-CZ 3.69Å; Y421-F478 HydrophobicContact CD2-CZ 3.69Å; Y421-F478 HydrophobicContact CE2-CE1 4.21Å; Y421-F478 HydrophobicContact CE2-CE2 4.37Å; Y421-F478 AromaticContact CE2-CZ 3.93Å; Y421-F478 HydrophobicContact CE2-CZ 3.93Å; Y421-F478 HydrophobicContact CG-CD1 4.31Å; Y421-F478 AromaticContact CG-CE1 3.79Å; Y421-F478 HydrophobicContact CG-CE1 3.79Å; Y421-F478 HydrophobicContact CG-CZ 4.31Å; R466-F478 PolarHBondContact N-O 3.22Å; R466-F478 PolarHBondContact O-N 3.02Å; L468-F478 HydrophobicContact CD1-CD2 4.45Å; L468-F478 HydrophobicContact CD1-CE2 4.1Å; F478-A509 HydrophobicContact CD1-CB 4.13Å; F478-A509 HydrophobicContact CE1-CB 4.18Å
479I93.7Very high91.2Very high0 Ų061.6 Ų61.60%032%0.32CS..EExtended strand (participates in β ladder)trans-129110.1-176.8-52.7-177.4000108.2R419 L420 V422 F438 F463 S464 L481R419-I479 CarbonylContact C-O 3.54Å; R419-I479 WeakPolarHBondContact CA-O 3.33Å; R419-I479 WeakPolarHBondContact CG-O 3.45Å; L420-I479 HydrophobicContact CB-CB 4.38Å; L420-I479 PolarHBondContact N-O 3.16Å; L420-I479 PolarHBondContact O-N 2.9Å; V422-I479 HydrophobicContact CG2-CD1 3.73Å; V422-I479 HydrophobicContact CG2-CG1 4.26Å; F438-I479 HydrophobicContact CB-CD1 4.2Å; F438-I479 HydrophobicContact CB-CG2 4.2Å; F438-I479 HydrophobicContact CD1-CD1 3.69Å; F438-I479 HydrophobicContact CD1-CG2 4.19Å; F438-I479 HydrophobicContact CD2-CD1 3.26Å; F438-I479 HydrophobicContact CE1-CD1 3.77Å; F438-I479 HydrophobicContact CE2-CD1 3.36Å; F438-I479 HydrophobicContact CG-CD1 3.43Å; F438-I479 VanDerWaalsContact CG-CD1 3.43Å; F438-I479 HydrophobicContact CG-CG2 4.25Å; F438-I479 HydrophobicContact CZ-CD1 3.62Å; F463-I479 HydrophobicContact CD2-CG2 4.42Å; F463-I479 HydrophobicContact CE2-CG2 3.75Å; F463-I479 HydrophobicContact CZ-CG2 4.45Å; S464-I479 CarbonylContact O-C 3.56Å; S464-I479 VanDerWaalsContact O-CA 3.28Å; S464-I479 WeakPolarHBondContact O-CA 3.27Å; I479-L481 HydrophobicContact CG2-CG 4.45Å
480G91.8Very high91.3Very high10 Ų1057 Ų5710%0.10329%0.292CS..EExtended strand (participates in β ladder)trans-83.8134.8170.400000110.2F463 S464F463-G480 WeakPolarHBondContact CA-O 3.47Å; F463-G480 VanDerWaalsContact CD2-O 3.26Å; F463-G480 WeakPolarHBondContact CD2-O 3.44Å; S464-G480 PolarHBondContact N-O 3.39Å; S464-G480 VanDerWaalsContact N-O 3.11Å; S464-G480 PolarHBondContact O-N 3.42Å
481L90.2Very high91.5Very high9 Ų950 Ų505%0.04726%0.259CS..  trans-123.6161.6175.4-69.1159.9000109.6S418 L420 F441 R462 F463 I479 C483 T486 A487 A490S418-L481 WeakPolarHBondContact O-CB 3.24Å; S418-L481 PolarHBondContact O-N 3.2Å; L420-L481 HydrophobicContact CD1-CD1 3.85Å; L420-L481 HydrophobicContact CG-CD1 4.24Å; F441-L481 HydrophobicContact CB-CD2 3.63Å; R462-L481 CarbonylContact O-C 3.6Å; R462-L481 VanDerWaalsContact O-C 3.27Å; F463-L481 HydrophobicContact CD2-CD2 3.7Å; F463-L481 HydrophobicContact CE2-CD2 3.89Å; I479-L481 HydrophobicContact CG2-CG 4.45Å; L481-C483 VanDerWaalsContact C-N 3.32Å; L481-C483 PolarHBondContact O-N 2.86Å; L481-T486 HydrophobicContact CB-CG2 4.48Å; L481-T486 HydrophobicContact CD2-CG2 4.22Å; L481-A487 HydrophobicContact CD1-CB 3.92Å; L481-A490 HydrophobicContact CD1-CB 3.86Å
482A86.1Confident91.5Very high50 Ų5053.5 Ų53.541%0.41326%0.26SS..SBendtrans-65.8-29.5-175.400000114.2R462R462-A482 HydrophobicContact CB-CB 3.9Å; R462-A482 PolarHBondContact O-N 2.95Å
483C84.6Confident91.6Very high53 Ų5342.1 Ų42.136%0.35822%0.219SC..  trans-146.5153.5-172.8-172.30000112.3L481 L485 T486 A487L481-C483 VanDerWaalsContact C-N 3.32Å; L481-C483 PolarHBondContact O-N 2.86Å; C483-L485 VanDerWaalsContact C-N 3.32Å; C483-L485 PolarHBondContact O-N 2.98Å; C483-T486 PolarHBondContact O-N 3.23Å; C483-A487 PolarHBondContact O-N 2.98Å
484E90.8Very high91.7Very high78 Ų7837.8 Ų37.836%0.36420%0.198SC..Hα-helixtrans-61.7-36.9173.3-171.4-169.9128.600112.5A416 A487 K488A416-E484 HydrophobicContact CB-CG 3.86Å; A416-E484 WeakPolarHBondContact CB-OE1 3.3Å; E484-A487 PolarHBondContact O-N 2.77Å; E484-K488 WeakPolarHBondContact O-CG 3.31Å; E484-K488 PolarHBondContact O-N 2.98Å; E484-K488 WeakPolarHBondContact OE1-CE 3.42Å; E484-K488 IonicContact OE1-NZ 2.64Å; E484-K488 PolarHBondContact OE1-NZ 2.99Å
485L90.7Very high91.9Very high112 Ų11233.1 Ų33.159%0.58618%0.178SC*.Hα-helixtrans-64.3-44.8177.6-61.8179.3000111.3C483 A487 K488 Q489C483-L485 VanDerWaalsContact C-N 3.32Å; C483-L485 PolarHBondContact O-N 2.98Å; L485-A487 VanDerWaalsContact C-N 3.29Å; L485-A487 PolarHBondContact O-N 3.45Å; L485-K488 WeakPolarHBondContact O-CB 3.27Å; L485-K488 PolarHBondContact O-N 3.38Å; L485-Q489 PolarHBondContact O-N 3.16Å
486T89.9Confident91.9Very high1 Ų132.6 Ų32.61%0.00617%0.173CC..Hα-helixtrans-60.8-38.9173.1-50.90000111.4F441 G444 P445 L481 C483 Q489 A490F441-T486 HydrophobicContact CB-CG2 3.81Å; F441-T486 WeakPolarHBondContact O-CG2 3.47Å; G444-T486 WeakPolarHBondContact O-CG2 3.3Å; P445-T486 WeakPolarHBondContact CD-OG1 3.06Å; L481-T486 HydrophobicContact CB-CG2 4.48Å; L481-T486 HydrophobicContact CD2-CG2 4.22Å; C483-T486 PolarHBondContact O-N 3.23Å; T486-Q489 PolarHBondContact O-N 3.1Å; T486-A490 VanDerWaalsContact O-CB 3.24Å; T486-A490 WeakPolarHBondContact O-CB 3.31Å; T486-A490 PolarHBondContact O-N 3.08Å
487A92Very high91.8Very high0 Ų032.1 Ų32.10%017%0.169CC..Hα-helixtrans-67.8-34.417500000113.5T417 L420 L481 C483 E484 L485 L491 F508T417-A487 VanDerWaalsContact O-CB 3.28Å; T417-A487 WeakPolarHBondContact O-CB 3.39Å; L420-A487 HydrophobicContact CD2-CB 4.18Å; L420-A487 HydrophobicContact CG-CB 4.32Å; L481-A487 HydrophobicContact CD1-CB 3.92Å; C483-A487 PolarHBondContact O-N 2.98Å; E484-A487 PolarHBondContact O-N 2.77Å; L485-A487 VanDerWaalsContact C-N 3.29Å; L485-A487 PolarHBondContact O-N 3.45Å; A487-L491 VanDerWaalsContact O-CB 3.27Å; A487-L491 WeakPolarHBondContact O-CB 3.28Å; A487-L491 PolarHBondContact O-N 2.9Å; A487-F508 HydrophobicContact CB-CE1 4.04Å
488K93.3Very high91.6Very high72 Ų7234.9 Ų34.931%0.31318%0.183SC..Hα-helixtrans-63.2-52.7171.2-74168.6-175168.30111.1E484 L485 A490 L491 E492 F508E484-K488 WeakPolarHBondContact O-CG 3.31Å; E484-K488 PolarHBondContact O-N 2.98Å; E484-K488 WeakPolarHBondContact OE1-CE 3.42Å; E484-K488 IonicContact OE1-NZ 2.64Å; E484-K488 PolarHBondContact OE1-NZ 2.99Å; L485-K488 WeakPolarHBondContact O-CB 3.27Å; L485-K488 PolarHBondContact O-N 3.38Å; K488-A490 VanDerWaalsContact C-N 3.34Å; K488-A490 PolarHBondContact O-N 3.28Å; K488-L491 PolarHBondContact O-N 3.3Å; K488-L491 VanDerWaalsContact O-N 3.16Å; K488-E492 WeakPolarHBondContact O-CG 3.49Å; K488-E492 PolarHBondContact O-N 2.83Å; K488-F508 HydrophobicContact CB-CZ 4.47Å; K488-F508 HydrophobicContact CG-CE1 4.32Å; K488-F508 HydrophobicContact CG-CZ 3.7Å
489Q91.3Very high91.5Very high52 Ų5233.4 Ų33.424%0.24318%0.177CC..Hα-helixtrans-58.6-44.7178.8-167.6-176.714.800111.8F441 P445 V446 L485 T486 E492 A493F441-Q489 HydrophobicContact CE1-CG 4.17Å; P445-Q489 VanDerWaalsContact CA-OE1 3.27Å; V446-Q489 PolarHBondContact O-NE2 2.98Å; L485-Q489 PolarHBondContact O-N 3.16Å; T486-Q489 PolarHBondContact O-N 3.1Å; Q489-E492 PolarHBondContact O-N 3.02Å; Q489-A493 PolarHBondContact O-N 3.19Å; Q489-A493 VanDerWaalsContact O-N 3.08Å
490A92.7Very high91.4Very high0 Ų038.8 Ų38.80%020%0.198CC..Hα-helixtrans-63.3-41.2176.600000112.5L420 F441 L481 T486 K488 T494L420-A490 HydrophobicContact CD1-CB 3.92Å; F441-A490 HydrophobicContact CB-CB 4.35Å; F441-A490 HydrophobicContact CD1-CB 3.94Å; F441-A490 HydrophobicContact CD2-CB 3.65Å; F441-A490 HydrophobicContact CE1-CB 4.12Å; F441-A490 HydrophobicContact CE2-CB 3.86Å; F441-A490 HydrophobicContact CG-CB 3.7Å; F441-A490 HydrophobicContact CZ-CB 4.09Å; L481-A490 HydrophobicContact CD1-CB 3.86Å; T486-A490 VanDerWaalsContact O-CB 3.24Å; T486-A490 WeakPolarHBondContact O-CB 3.31Å; T486-A490 PolarHBondContact O-N 3.08Å; K488-A490 VanDerWaalsContact C-N 3.34Å; K488-A490 PolarHBondContact O-N 3.28Å; A490-T494 WeakPolarHBondContact O-CB 3.47Å; A490-T494 WeakPolarHBondContact O-CG2 3.46Å; A490-T494 PolarHBondContact O-N 2.9Å; A490-T494 PolarHBondContact O-OG1 3.26Å
491L93.9Very high91.4Very high13 Ų1345.6 Ų45.67%0.06823%0.233CC..Hα-helixtrans-63.4-44176.4-178.7151.4000111.6T413 L420 A487 K488 N495 V506 F508T413-L491 HydrophobicContact CG2-CD2 4.24Å; L420-L491 HydrophobicContact CD2-CB 4.12Å; L420-L491 HydrophobicContact CD2-CD1 4.13Å; A487-L491 VanDerWaalsContact O-CB 3.27Å; A487-L491 WeakPolarHBondContact O-CB 3.28Å; A487-L491 PolarHBondContact O-N 2.9Å; K488-L491 PolarHBondContact O-N 3.3Å; K488-L491 VanDerWaalsContact O-N 3.16Å; L491-N495 WeakPolarHBondContact O-CB 3.35Å; L491-N495 PolarHBondContact O-N 2.87Å; L491-N495 VanDerWaalsContact O-N 3.1Å; L491-V506 HydrophobicContact CB-CG1 4.24Å; L491-V506 HydrophobicContact CD1-CG1 4.41Å; L491-V506 HydrophobicContact CG-CG1 4.11Å; L491-F508 HydrophobicContact CD1-CD1 4.49Å; L491-F508 HydrophobicContact CD1-CD2 4.06Å; L491-F508 HydrophobicContact CD1-CE1 4.3Å; L491-F508 HydrophobicContact CD1-CE2 3.86Å; L491-F508 HydrophobicContact CD1-CG 4.36Å; L491-F508 HydrophobicContact CD1-CZ 3.97Å
492E91.9Very high91.5Very high133 Ų13350 Ų5062%0.62125%0.249SC*.Hα-helixtrans-65.2-39.2-179.9-72.8170-166.400112.4K488 Q489K488-E492 WeakPolarHBondContact O-CG 3.49Å; K488-E492 PolarHBondContact O-N 2.83Å; Q489-E492 PolarHBondContact O-N 3.02Å
493A90.7Very high91.8Very high9 Ų947.8 Ų47.87%0.07423%0.23CC..Hα-helixtrans-72.4-44177.400000113.4L389 I392 F441 Q489L389-A493 HydrophobicContact CD1-CB 3.76Å; I392-A493 HydrophobicContact CG2-CB 4.32Å; F441-A493 HydrophobicContact CZ-CB 3.97Å; Q489-A493 PolarHBondContact O-N 3.19Å; Q489-A493 VanDerWaalsContact O-N 3.08Å
494T93.2Very high92.3Very high0 Ų045.3 Ų45.30%021%0.213CC..Hα-helixtrans-92.7-16.6-168.659.50000114.8I392 I437 F438 F441 A490 G496 Y497 M504I392-T494 HydrophobicContact CG2-CG2 3.9Å; I437-T494 HydrophobicContact CG2-CG2 3.8Å; F438-T494 HydrophobicContact CD1-CG2 4.31Å; F438-T494 HydrophobicContact CE1-CG2 3.74Å; F438-T494 WeakPolarHBondContact CE1-OG1 3.33Å; F438-T494 HydrophobicContact CE2-CG2 4.37Å; F438-T494 HydrophobicContact CZ-CG2 3.78Å; F438-T494 WeakPolarHBondContact CZ-OG1 3.34Å; F441-T494 HydrophobicContact CE2-CG2 4.28Å; A490-T494 WeakPolarHBondContact O-CB 3.47Å; A490-T494 WeakPolarHBondContact O-CG2 3.46Å; A490-T494 PolarHBondContact O-N 2.9Å; A490-T494 PolarHBondContact O-OG1 3.26Å; T494-G496 PolarHBondContact O-N 3.15Å; T494-G496 VanDerWaalsContact O-N 3.16Å; T494-Y497 VanDerWaalsContact O-CB 3.27Å; T494-Y497 WeakPolarHBondContact O-CB 3.4Å; T494-Y497 PolarHBondContact O-N 2.82Å; T494-M504 WeakPolarHBondContact O-CG 3.35Å
495N94.1Very high92.5Very high8 Ų841.8 Ų41.84%0.04320%0.197CC..THydrogen-bonded Turntrans-70.9112.5-176-173.436.4000112.4R396 R402 Y411 L491 V506R396-N495 PolarHBondContact NE-O 2.98Å; R402-N495 PolarHBondContact NH1-ND2 2.93Å; R402-N495 VanDerWaalsContact NH1-ND2 3.16Å; Y411-N495 PolarHBondContact OH-ND2 2.82Å; L491-N495 WeakPolarHBondContact O-CB 3.35Å; L491-N495 PolarHBondContact O-N 2.87Å; L491-N495 VanDerWaalsContact O-N 3.1Å; N495-V506 HydrophobicContact CB-CB 4.18Å; N495-V506 PolarHBondContact OD1-N 3.08Å
496G92.4Very high92.8Very high0 Ų036.4 Ų36.40%017%0.169CC..THydrogen-bonded Turntrans92.77.6-171.300000114.7L397 T494 M504L397-G496 VanDerWaalsContact CB-O 3.24Å; L397-G496 WeakPolarHBondContact CB-O 3.44Å; L397-G496 PolarHBondContact N-O 2.81Å; T494-G496 PolarHBondContact O-N 3.15Å; T494-G496 VanDerWaalsContact O-N 3.16Å; G496-M504 PolarHBondContact N-O 2.97Å
497Y94Very high93Very high25 Ų2537.6 Ų37.610%0.09817%0.174CC..BIsolated β-bridgetrans-62.6135.2170.8179.5-81.3000111.2I392 N395 I437 T494 L499 P503 M504I392-Y497 HydrophobicContact CB-CD2 4.44Å; I392-Y497 HydrophobicContact CG2-CD2 3.96Å; I392-Y497 WeakPolarHBondContact O-CD2 3.28Å; N395-Y497 HydrophobicContact CB-CD2 3.92Å; N395-Y497 HydrophobicContact CB-CE2 3.58Å; I437-Y497 HydrophobicContact CD1-CD1 4.19Å; I437-Y497 HydrophobicContact CD1-CE1 3.76Å; I437-Y497 HydrophobicContact CG1-CE1 4.32Å; T494-Y497 VanDerWaalsContact O-CB 3.27Å; T494-Y497 WeakPolarHBondContact O-CB 3.4Å; T494-Y497 PolarHBondContact O-N 2.82Å; Y497-L499 HydrophobicContact CD1-CB 4.08Å; Y497-L499 HydrophobicContact CE1-CB 4.03Å; Y497-L499 HydrophobicContact CE1-CD1 4.39Å; Y497-P503 WeakPolarHBondContact O-CA 3.29Å; Y497-M504 HydrophobicContact CD1-CE 3.57Å; Y497-M504 HydrophobicContact CE1-CE 4.36Å; Y497-M504 HydrophobicContact CG-CE 4.18Å; Y497-M504 PolarHBondContact O-N 3.16Å
498M92.6Very high93.2Very high59 Ų5938.5 Ų38.529%0.29118%0.178SC..EExtended strand (participates in β ladder)trans-86.1111.5179.4-69-65.1-69.400111.6N395 P503N395-M498 PolarHBondContact O-N 2.82Å; M498-P503 HydrophobicContact SD-CB 3.71Å; M498-P503 HydrophobicContact SD-CG 4.2Å
499L92.3Very high93.2Very high18 Ų1835.2 Ų35.29%0.09416%0.164CC..EExtended strand (participates in β ladder)trans-123.1116.6177.5-177.260.7000110.2L425 V429 L434 I437 Y497 R502 M504L425-L499 HydrophobicContact CD2-CD2 4.31Å; V429-L499 HydrophobicContact CG1-CD2 4.04Å; V429-L499 HydrophobicContact CG2-CD2 3.62Å; V429-L499 HydrophobicContact CG2-CG 3.96Å; L434-L499 HydrophobicContact CD2-CD2 4.47Å; I437-L499 HydrophobicContact CD1-CD1 4.22Å; I437-L499 HydrophobicContact CD1-CD2 3.89Å; Y497-L499 HydrophobicContact CD1-CB 4.08Å; Y497-L499 HydrophobicContact CE1-CB 4.03Å; Y497-L499 HydrophobicContact CE1-CD1 4.39Å; L499-R502 PolarHBondContact N-O 3.16Å; L499-R502 PolarHBondContact O-N 2.89Å; L499-M504 HydrophobicContact CB-CE 4.13Å; L499-M504 HydrophobicContact CD2-CE 4.02Å
500Y91.9Very high93Very high112 Ų11243.8 Ų43.844%0.43919%0.194SC..THydrogen-bonded Turntrans46.859.3-171.5-56.9-73000112.5V429 D433 R502V429-Y500 HydrophobicContact CG2-CD2 3.68Å; V429-Y500 HydrophobicContact CG2-CE2 3.99Å; D433-Y500 PolarHBondContact OD1-OH 3.3Å; D433-Y500 PolarHBondContact OD2-OH 3.01Å; Y500-R502 PolarHBondContact O-N 3.26Å
501D90.3Very high91.9Very high154 Ų15446 Ų4682%0.82422%0.218SC*.THydrogen-bonded Turntrans56.620.3179.9-55.5-40000115.6
502R92.5Very high90.2Very high102 Ų10250.4 Ų50.439%0.38526%0.256SS..EExtended strand (participates in β ladder)trans-124.8128.4176.4-67-176.9172.8-155.6-7.7111.6L425 L499 Y500 M504L425-R502 PolarHBondContact O-NH1 2.72Å; L499-R502 PolarHBondContact N-O 3.16Å; L499-R502 PolarHBondContact O-N 2.89Å; Y500-R502 PolarHBondContact O-N 3.26Å; R502-M504 PolarHBondContact O-N 3.09Å
503P93.8Very high88.5Confident3 Ų353.5 Ų53.52%0.01927%0.267CS..EExtended strand (participates in β ladder)trans-73.2119.5172.228.1-31.8000109.3L397 Y405 F408 N424 Y497 M498L397-P503 HydrophobicContact CD2-CB 4.44Å; Y405-P503 HydrophobicContact CD1-CG 3.77Å; Y405-P503 HydrophobicContact CE1-CG 3.93Å; Y405-P503 HydrophobicContact CG-CG 4.07Å; F408-P503 HydrophobicContact CE2-CB 3.99Å; F408-P503 HydrophobicContact CE2-CG 4.14Å; F408-P503 HydrophobicContact CZ-CB 4.32Å; N424-P503 PolarHBondContact ND2-O 3.01Å; Y497-P503 WeakPolarHBondContact O-CA 3.29Å; M498-P503 HydrophobicContact SD-CB 3.71Å; M498-P503 HydrophobicContact SD-CG 4.2Å
504M94.6Very high86.4Confident1 Ų157.2 Ų57.21%0.00530%0.298CS..  trans-72.5143175.771.3170.174.200111.2V422 L425 I437 F438 T494 G496 Y497 L499 R502 V506V422-M504 HydrophobicContact CG1-CB 4.06Å; V422-M504 HydrophobicContact CG1-SD 4.15Å; L425-M504 HydrophobicContact CD2-CB 4.17Å; I437-M504 HydrophobicContact CD1-CE 3.69Å; F438-M504 HydrophobicContact CE2-SD 4.11Å; F438-M504 HydrophobicContact CZ-SD 4.18Å; T494-M504 WeakPolarHBondContact O-CG 3.35Å; G496-M504 PolarHBondContact N-O 2.97Å; Y497-M504 HydrophobicContact CD1-CE 3.57Å; Y497-M504 HydrophobicContact CE1-CE 4.36Å; Y497-M504 HydrophobicContact CG-CE 4.18Å; Y497-M504 PolarHBondContact O-N 3.16Å; L499-M504 HydrophobicContact CB-CE 4.13Å; L499-M504 HydrophobicContact CD2-CE 4.02Å; R502-M504 PolarHBondContact O-N 3.09Å; M504-V506 HydrophobicContact CG-CG2 4.09Å; M504-V506 HydrophobicContact SD-CG2 4Å
505V95Very high84.6Confident3 Ų366 Ų662%0.01834%0.336CS..EExtended strand (participates in β ladder)trans-112114.8179.6-176.30000109V407 F408 Y411 V422 K423 N424V407-V505 HydrophobicContact CB-CG2 4.23Å; V407-V505 HydrophobicContact CG1-CG2 3.56Å; F408-V505 HydrophobicContact CD1-CG1 4.33Å; F408-V505 HydrophobicContact CD1-CG2 4.21Å; F408-V505 HydrophobicContact CE1-CB 4.28Å; F408-V505 HydrophobicContact CE1-CG1 4.1Å; F408-V505 HydrophobicContact CE1-CG2 3.73Å; F408-V505 HydrophobicContact CE2-CG2 4.08Å; F408-V505 HydrophobicContact CZ-CG2 3.66Å; Y411-V505 HydrophobicContact CD2-CG1 3.46Å; Y411-V505 VanDerWaalsContact CD2-CG1 3.46Å; Y411-V505 HydrophobicContact CE2-CG1 3.66Å; V422-V505 CarbonylContact C-O 3.58Å; V422-V505 WeakPolarHBondContact CA-O 3.49Å; K423-V505 HydrophobicContact CB-CB 4.27Å; K423-V505 PolarHBondContact N-O 3.13Å; K423-V505 PolarHBondContact O-N 3.16Å; N424-V505 HydrophobicContact CB-CG2 4.29Å
506V95.6Very high82.7Confident0 Ų071 Ų710%037%0.369CS..EExtended strand (participates in β ladder)trans-109.9126.7-172.3-174.60000109.9Y411 L420 V422 F438 L491 N495 M504Y411-V506 VanDerWaalsContact CE2-O 3.29Å; Y411-V506 WeakPolarHBondContact CE2-O 3.07Å; Y411-V506 PolarHBondContact OH-O 2.65Å; L420-V506 HydrophobicContact CB-CG1 4.29Å; L420-V506 HydrophobicContact CD1-CG1 3.96Å; L420-V506 HydrophobicContact CD2-CG1 4.31Å; L420-V506 HydrophobicContact CG-CG1 4.43Å; V422-V506 HydrophobicContact CG1-CG2 4.24Å; V422-V506 HydrophobicContact CG2-CG1 4.44Å; V422-V506 HydrophobicContact CG2-CG2 4.24Å; F438-V506 HydrophobicContact CZ-CG2 4.4Å; L491-V506 HydrophobicContact CB-CG1 4.24Å; L491-V506 HydrophobicContact CD1-CG1 4.41Å; L491-V506 HydrophobicContact CG-CG1 4.11Å; N495-V506 HydrophobicContact CB-CB 4.18Å; N495-V506 PolarHBondContact OD1-N 3.08Å; M504-V506 HydrophobicContact CG-CG2 4.09Å; M504-V506 HydrophobicContact SD-CG2 4Å
507Q95.3Very high80.9Confident26 Ų2676.8 Ų76.812%0.12140%0.4CS..EExtended strand (participates in β ladder)trans-133.8158.4-179-60.7-175.2-21.700109.6Y411 D412 L420 Y421 A509Y411-Q507 HydrophobicContact CD2-CG 4.36Å; Y411-Q507 HydrophobicContact CE2-CG 3.8Å; D412-Q507 VanDerWaalsContact O-CG 3.28Å; D412-Q507 WeakPolarHBondContact O-CG 3.07Å; D412-Q507 PolarHBondContact O-NE2 3.39Å; D412-Q507 VanDerWaalsContact O-NE2 3.09Å; L420-Q507 CarbonylContact C-O 3.59Å; L420-Q507 WeakPolarHBondContact CA-O 3.17Å; Y421-Q507 PolarHBondContact N-O 3.43Å; Y421-Q507 PolarHBondContact O-N 3.23Å; Q507-A509 PolarHBondContact O-N 2.84Å
508F95.7Very high79.4Confident18 Ų1885 Ų858%0.07944%0.44CS..EExtended strand (participates in β ladder)trans-66.2133165.9-65.7-66.8000109.8T413 T415 A416 T417 L420 A487 K488 L491 R510T413-F508 WeakPolarHBondContact O-CD2 3.42Å; T413-F508 PolarHBondContact O-N 3.37Å; T415-F508 WeakPolarHBondContact O-CB 3.35Å; A416-F508 HydrophobicContact CB-CD2 4.42Å; A416-F508 HydrophobicContact CB-CE1 4.48Å; A416-F508 HydrophobicContact CB-CE2 4.14Å; A416-F508 HydrophobicContact CB-CZ 4.19Å; T417-F508 VanDerWaalsContact O-CD1 3.31Å; T417-F508 WeakPolarHBondContact O-CD1 3.33Å; L420-F508 HydrophobicContact CD2-CD1 3.7Å; L420-F508 HydrophobicContact CD2-CE1 3.88Å; A487-F508 HydrophobicContact CB-CE1 4.04Å; K488-F508 HydrophobicContact CB-CZ 4.47Å; K488-F508 HydrophobicContact CG-CE1 4.32Å; K488-F508 HydrophobicContact CG-CZ 3.7Å; L491-F508 HydrophobicContact CD1-CD1 4.49Å; L491-F508 HydrophobicContact CD1-CD2 4.06Å; L491-F508 HydrophobicContact CD1-CE1 4.3Å; L491-F508 HydrophobicContact CD1-CE2 3.86Å; L491-F508 HydrophobicContact CD1-CG 4.36Å; L491-F508 HydrophobicContact CD1-CZ 3.97Å; F508-R510 PolarHBondContact O-N 3.44Å
509A92.8Very high77.7Confident3 Ų391.7 Ų91.73%0.02547%0.467CS..  trans-65.2133.5175.900000109R419 F478 Q507 G511R419-A509 HydrophobicContact CB-CB 4Å; R419-A509 HydrophobicContact CG-CB 3.86Å; R419-A509 VanDerWaalsContact O-CB 3.31Å; R419-A509 WeakPolarHBondContact O-CB 3.45Å; R419-A509 PolarHBondContact O-N 2.64Å; F478-A509 HydrophobicContact CD1-CB 4.13Å; F478-A509 HydrophobicContact CE1-CB 4.18Å; Q507-A509 PolarHBondContact O-N 2.84Å; A509-G511 PolarHBondContact O-N 3.22Å
510R88.6Confident76Confident232 Ų23294.3 Ų94.388%0.87549%0.487SS*.  trans-66102171.7-66.4-176.6-179.6-168.2-2.5107.9F508 A512F508-R510 PolarHBondContact O-N 3.44Å; R510-A512 PolarHBondContact O-N 3.19Å
511G69.8Low74.1Confident48 Ų4896.4 Ų96.450%0.49551%0.505SS..  trans-57.1128-179.900000110.7A509 K513A509-G511 PolarHBondContact O-N 3.22Å; G511-K513 PolarHBondContact O-N 3.35Å
512A57.2Low72.1Confident105 Ų10596.8 Ų96.887%0.86851%0.506SS*.  trans-68.281.7153.300000106.5R510 A514R510-A512 PolarHBondContact O-N 3.19Å; A512-A514 PolarHBondContact O-N 3.26Å
513K56.1Low69.9Low197 Ų19799.5 Ų99.586%0.85753%0.527SS*.  trans-54.2114.5161.2-70.2-167.9176.8-169.60104.7G511 K515G511-K513 PolarHBondContact O-N 3.35Å; K513-K515 PolarHBondContact O-N 3.05Å
514A47.5Very low67.8Low88 Ų88104.8 Ų104.873%0.72756%0.564SS**  trans-49.3134.1165.500000106A512A512-A514 PolarHBondContact O-N 3.26Å
515K54.6Low65.2Low184 Ų184115.9 Ų115.980%0.862%0.624SS**  trans-54.4131.4169.9-71.4-176.9176.7-176.80105.6K513 D517K513-K515 PolarHBondContact O-N 3.05Å; K515-D517 PolarHBondContact O-N 2.9Å
516P54.6Low63.8Low113 Ų113121.6 Ų121.673%0.73465%0.654SS**  trans-58.8113.2170.825.5-31.8000105.8E518P516-E518 PolarHBondContact O-N 3.15Å
517D54.2Low62.1Low121 Ų121127.9 Ų127.965%0.64769%0.688SS**  trans-61.3123.9170.4-84.1-32.3000105.8K515 K519 S520K515-D517 PolarHBondContact O-N 2.9Å; D517-K519 PolarHBondContact O-N 3.27Å; D517-S520 WeakPolarHBondContact CB-OG 3.23Å; D517-S520 WeakPolarHBondContact O-CB 3.43Å; D517-S520 PolarHBondContact O-N 3.24Å; D517-S520 PolarHBondContact O-OG 3.06Å
518E62.5Low60.2Low199 Ų199133.6 Ų133.693%0.9372%0.72SS**THydrogen-bonded Turntrans-63.1-0.2-173.1-62.7174.816700113.3P516P516-E518 PolarHBondContact O-N 3.15Å
519K57.7Low58.2Low198 Ų198140.4 Ų140.486%0.86176%0.758SS**THydrogen-bonded Turntrans-102.7-4.8174.9-58.8-178179.8-178.10113.5D517 L521D517-K519 PolarHBondContact O-N 3.27Å; K519-L521 PolarHBondContact O-N 2.93Å; K519-L521 VanDerWaalsContact O-N 3.15Å
520S55.7Low56Low73 Ų73149 Ų14951%0.5180%0.803SS.*  trans-81.388.3178.1-37.70000109.3D517 L522D517-S520 WeakPolarHBondContact CB-OG 3.23Å; D517-S520 WeakPolarHBondContact O-CB 3.43Å; D517-S520 PolarHBondContact O-N 3.24Å; D517-S520 PolarHBondContact O-OG 3.06Å; S520-L522 PolarHBondContact O-N 3Å
521L51.2Low53.8Low156 Ų156143.5 Ų143.582%0.81780%0.799SS**  trans-72.570.1173.7-68175.9000111.3K519K519-L521 PolarHBondContact O-N 2.93Å; K519-L521 VanDerWaalsContact O-N 3.15Å
522L49.7Very low52.7Low162 Ų162150.3 Ų150.385%0.84882%0.82SS**  trans-110.484.3161.9-69.3-179.2000108.5S520 S524S520-L522 PolarHBondContact O-N 3Å; L522-S524 PolarHBondContact O-N 3.04Å
523L45Very low52.3Low160 Ų160153.8 Ų153.884%0.83882%0.817SS**  trans-64.3110.2165.9-74.9148.5000108.4
524S50.7Low52Low114 Ų114150.2 Ų150.280%0.79781%0.813SS**  trans-77.4124.1159.654.40000108.7L522L522-S524 PolarHBondContact O-N 3.04Å
525N40.7Very low52.4Low234 Ų234155.8 Ų155.8100%1.25182%0.821SS**  trans-63.80163.6-69.8-24.9000111.4

Retrieved 525 of 525 residues in 408.8 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).