A0A077ZI66_TRITR Loading...

alpha-1,2-Mannosidase

AlphaFold DB , UniProt , Accession A0A077ZI66, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 445 aa.

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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
1M98.3Very high98.7Very high67 Ų6742.5 Ų42.533%0.3324%0.24SC..  0-64.20-53.3177.780.500112K3 F4 A5 A364 I367 E368 Y377 F398 L403M1-K3 PolarHBondContact O-N 3.2Å; M1-F4 WeakPolarHBondContact O-CB 3.33Å; M1-F4 PolarHBondContact O-N 3.24Å; M1-F4 VanDerWaalsContact O-N 3.11Å; M1-A5 PolarHBondContact O-N 3.39Å; M1-A364 HydrophobicContact SD-CB 4.43Å; M1-I367 HydrophobicContact CE-CB 3.86Å; M1-I367 HydrophobicContact CE-CG2 3.41Å; M1-I367 VanDerWaalsContact CE-CG2 3.41Å; M1-E368 HydrophobicContact CE-CB 4.49Å; M1-Y377 VanDerWaalsContact CA-OH 3.28Å; M1-Y377 WeakPolarHBondContact CA-OH 3.31Å; M1-Y377 HydrophobicContact CB-CE2 4.17Å; M1-Y377 WeakPolarHBondContact CB-OH 3.1Å; M1-Y377 HydrophobicContact CE-CD1 4.39Å; M1-Y377 HydrophobicContact CE-CE1 3.76Å; M1-Y377 WeakPolarHBondContact CG-OH 3.27Å; M1-F398 HydrophobicContact CE-CZ 4.27Å; M1-L403 HydrophobicContact CB-CD1 4.24Å; M1-L403 HydrophobicContact CB-CD2 3.61Å; M1-L403 HydrophobicContact CE-CD2 4.19Å; M1-L403 HydrophobicContact CG-CD2 4.45Å; M1-L403 HydrophobicContact SD-CD2 4.05Å
2F98.8Very high98.7Very high11 Ų1143.2 Ų43.25%0.04824%0.242CC..Hα-helixtrans-51.8-53.3-175.9-170.4-81.5000114.8F4 A5 W6 A44 T47 A48 M51 L53 L399 L403F2-F4 VanDerWaalsContact C-N 3.28Å; F2-F4 PolarHBondContact O-N 3.41Å; F2-A5 PolarHBondContact O-N 2.96Å; F2-A5 VanDerWaalsContact O-N 3.14Å; F2-W6 HydrophobicContact CD1-CB 4.25Å; F2-W6 HydrophobicContact CE1-CB 4.01Å; F2-W6 HydrophobicContact CE1-CD2 4.29Å; F2-W6 HydrophobicContact CE1-CE3 4.05Å; F2-W6 HydrophobicContact CE1-CG 4.31Å; F2-W6 AromaticContact CZ-CE3 3.89Å; F2-W6 HydrophobicContact CZ-CE3 3.89Å; F2-W6 WeakPolarHBondContact O-CB 3.33Å; F2-W6 PolarHBondContact O-N 2.9Å; F2-A44 HydrophobicContact CE2-CB 4.23Å; F2-A44 HydrophobicContact CZ-CB 4.21Å; F2-T47 HydrophobicContact CD2-CG2 3.82Å; F2-T47 HydrophobicContact CE2-CG2 3.49Å; F2-T47 VanDerWaalsContact CE2-CG2 3.49Å; F2-T47 HydrophobicContact CZ-CG2 4.33Å; F2-A48 HydrophobicContact CE1-CB 4.04Å; F2-A48 HydrophobicContact CZ-CB 3.96Å; F2-M51 HydrophobicContact CB-CE 4.19Å; F2-M51 HydrophobicContact CB-SD 3.69Å; F2-M51 HydrophobicContact CD1-SD 4.21Å; F2-M51 HydrophobicContact CD2-CE 3.92Å; F2-M51 HydrophobicContact CD2-SD 3.77Å; F2-M51 HydrophobicContact CE2-SD 4.46Å; F2-M51 HydrophobicContact CG-CE 4.25Å; F2-M51 HydrophobicContact CG-SD 3.62Å; F2-L53 HydrophobicContact CD1-CD1 3.34Å; F2-L53 HydrophobicContact CE1-CD1 3.68Å; F2-L53 HydrophobicContact CG-CD1 4.25Å; F2-L399 HydrophobicContact CD2-CB 4.27Å; F2-L399 HydrophobicContact CD2-CD2 4.35Å; F2-L399 HydrophobicContact CD2-CG 4.31Å; F2-L399 HydrophobicContact CE2-CB 3.82Å; F2-L399 HydrophobicContact CE2-CD2 3.96Å; F2-L399 HydrophobicContact CE2-CG 4.14Å; F2-L399 HydrophobicContact CZ-CD2 4.08Å; F2-L403 VanDerWaalsContact CA-CD1 3.5Å; F2-L403 HydrophobicContact CB-CD1 3.92Å; F2-L403 HydrophobicContact CD2-CB 4.32Å; F2-L403 HydrophobicContact CD2-CD1 4.11Å; F2-L403 HydrophobicContact CG-CD1 4.44Å
3K98.7Very high98.5Very high117 Ų11740.2 Ų40.251%0.50923%0.226SC..Hα-helixtrans-53-46.1178.8-67.5-179.4179176.30112M1 D7 L53M1-K3 PolarHBondContact O-N 3.2Å; K3-D7 VanDerWaalsContact O-CB 3.24Å; K3-D7 WeakPolarHBondContact O-CB 3.49Å; K3-D7 PolarHBondContact O-N 3.2Å; K3-L53 HydrophobicContact CD-CD2 4.36Å; K3-L53 HydrophobicContact CG-CD1 4.21Å; K3-L53 HydrophobicContact CG-CD2 4.23Å
4F98.8Very high98.5Very high73 Ų7343.4 Ų43.432%0.3223%0.233SC..Hα-helixtrans-63.8-45.1179.2-178.9-106.3000112.3M1 F2 G8 K372 A373 G376 Y377M1-F4 WeakPolarHBondContact O-CB 3.33Å; M1-F4 PolarHBondContact O-N 3.24Å; M1-F4 VanDerWaalsContact O-N 3.11Å; F2-F4 VanDerWaalsContact C-N 3.28Å; F2-F4 PolarHBondContact O-N 3.41Å; F4-G8 PolarHBondContact O-N 3.23Å; F4-K372 HydrophobicContact CE1-CD 4.45Å; F4-K372 HydrophobicContact CE1-CG 3.85Å; F4-A373 WeakPolarHBondContact CE1-O 3.28Å; F4-A373 VanDerWaalsContact CZ-O 3.3Å; F4-A373 WeakPolarHBondContact CZ-O 3.39Å; F4-G376 WeakPolarHBondContact CE1-O 3.43Å; F4-Y377 HydrophobicContact CD1-CD2 4.35Å; F4-Y377 AromaticContact CD1-CE2 3.71Å; F4-Y377 HydrophobicContact CD1-CE2 3.71Å
5A98.8Very high98.4Very high0 Ų040.8 Ų40.80%022%0.221CC..Hα-helixtrans-64.2-45.1178.500000112.6M1 F2 Y9 Y377 Q394 F398 L399 L403M1-A5 PolarHBondContact O-N 3.39Å; F2-A5 PolarHBondContact O-N 2.96Å; F2-A5 VanDerWaalsContact O-N 3.14Å; A5-Y9 WeakPolarHBondContact O-CB 3.25Å; A5-Y9 PolarHBondContact O-N 3.18Å; A5-Y377 HydrophobicContact CB-CD2 3.87Å; A5-Y377 HydrophobicContact CB-CE2 4.1Å; A5-Q394 PolarHBondContact O-NE2 3.18Å; A5-F398 HydrophobicContact CB-CD1 4.36Å; A5-F398 HydrophobicContact CB-CE1 4.04Å; A5-L399 HydrophobicContact CB-CD1 3.99Å; A5-L399 HydrophobicContact CB-CD2 4.35Å; A5-L399 HydrophobicContact CB-CG 4.16Å; A5-L403 HydrophobicContact CB-CD1 4.5Å
6W98.8Very high98.3Very high6 Ų639.1 Ų39.12%0.02321%0.211CC..Hα-helixtrans-66.5-48178.4178.3-79.7000111.7F2 G8 Y9 A10 W14 I41 A44 L45 R56 L399F2-W6 HydrophobicContact CD1-CB 4.25Å; F2-W6 HydrophobicContact CE1-CB 4.01Å; F2-W6 HydrophobicContact CE1-CD2 4.29Å; F2-W6 HydrophobicContact CE1-CE3 4.05Å; F2-W6 HydrophobicContact CE1-CG 4.31Å; F2-W6 AromaticContact CZ-CE3 3.89Å; F2-W6 HydrophobicContact CZ-CE3 3.89Å; F2-W6 WeakPolarHBondContact O-CB 3.33Å; F2-W6 PolarHBondContact O-N 2.9Å; W6-G8 VanDerWaalsContact C-N 3.3Å; W6-G8 PolarHBondContact O-N 3.27Å; W6-Y9 PolarHBondContact O-N 3.24Å; W6-A10 WeakPolarHBondContact O-CB 3.3Å; W6-A10 PolarHBondContact O-N 3.47Å; W6-W14 AromaticContact CE2-CZ3 3.95Å; W6-W14 HydrophobicContact CH2-CH2 4.23Å; W6-W14 HydrophobicContact CH2-CZ3 4.27Å; W6-W14 AromaticContact CZ2-CH2 3.58Å; W6-W14 HydrophobicContact CZ2-CH2 3.58Å; W6-W14 AromaticContact CZ2-CZ3 3.63Å; W6-W14 HydrophobicContact CZ2-CZ3 3.63Å; W6-I41 HydrophobicContact CH2-CG2 4.47Å; W6-A44 HydrophobicContact CE3-CB 4.21Å; W6-A44 HydrophobicContact CZ3-CB 3.91Å; W6-L45 HydrophobicContact CH2-CD1 4.25Å; W6-R56 VanDerWaalsContact CD1-CD 3.46Å; W6-R56 HydrophobicContact CD2-CB 4.44Å; W6-R56 HydrophobicContact CG-CG 4.28Å; W6-R56 HydrophobicContact CZ2-CB 4.16Å; W6-R56 WeakPolarHBondContact CZ2-O 3.38Å; W6-L399 HydrophobicContact CB-CD2 3.89Å; W6-L399 HydrophobicContact CE3-CD2 3.88Å
7D98.7Very high98.2Very high70 Ų7036.9 Ų36.937%0.37420%0.199SC..Hα-helixtrans-66.8-36.7-177.4-62.8-10.4000110.9K3 A10 A11 R56K3-D7 VanDerWaalsContact O-CB 3.24Å; K3-D7 WeakPolarHBondContact O-CB 3.49Å; K3-D7 PolarHBondContact O-N 3.2Å; D7-A10 PolarHBondContact O-N 3.14Å; D7-A11 WeakPolarHBondContact O-CB 3.46Å; D7-A11 PolarHBondContact O-N 2.84Å; D7-R56 IonicContact OD1-CZ 3.61Å; D7-R56 IonicContact OD1-NE 3.83Å; D7-R56 PolarHBondContact OD1-NE 3.38Å; D7-R56 IonicContact OD1-NH2 2.78Å; D7-R56 PolarHBondContact OD1-NH2 3.33Å; D7-R56 IonicContact OD2-CZ 3.66Å; D7-R56 IonicContact OD2-NE 3.8Å; D7-R56 IonicContact OD2-NH2 3.56Å; D7-R56 PolarHBondContact OD2-NH2 3.31Å
8G98.7Very high98.1Very high8 Ų835.2 Ų35.28%0.08219%0.189CC..Hα-helixtrans-63.2-44.3172.300000112.8F4 W6 N12 A375F4-G8 PolarHBondContact O-N 3.23Å; W6-G8 VanDerWaalsContact C-N 3.3Å; W6-G8 PolarHBondContact O-N 3.27Å; G8-N12 PolarHBondContact O-N 2.79Å; G8-N12 PolarHBondContact O-ND2 3.2Å; G8-A375 CarbonylContact C-O 3.51Å; G8-A375 VanDerWaalsContact CA-O 3.23Å; G8-A375 WeakPolarHBondContact CA-O 3.32Å
9Y98.7Very high98.1Very high0 Ų033.3 Ų33.30%018%0.179CC..Hα-helixtrans-60.7-48.7170.9164.2-100.9000111.7A5 W6 A11 N12 A13 W14 G15 E16 V19 T40 I41A5-Y9 WeakPolarHBondContact O-CB 3.25Å; A5-Y9 PolarHBondContact O-N 3.18Å; W6-Y9 PolarHBondContact O-N 3.24Å; Y9-A11 VanDerWaalsContact C-N 3.29Å; Y9-A11 PolarHBondContact O-N 3.31Å; Y9-N12 PolarHBondContact O-N 3.41Å; Y9-A13 HydrophobicContact CD2-CB 3.96Å; Y9-A13 HydrophobicContact CE2-CB 4.02Å; Y9-A13 WeakPolarHBondContact CE2-O 3.27Å; Y9-A13 CarbonylContact O-C 3.44Å; Y9-A13 WeakPolarHBondContact O-CA 3.47Å; Y9-A13 PolarHBondContact O-N 3.21Å; Y9-A13 PolarHBondContact OH-O 3.21Å; Y9-W14 AromaticContact CD1-CE3 3.94Å; Y9-W14 HydrophobicContact CD1-CE3 3.94Å; Y9-W14 HydrophobicContact CD1-CZ3 4.18Å; Y9-W14 AromaticContact CE1-CE3 3.45Å; Y9-W14 HydrophobicContact CE1-CE3 3.45Å; Y9-W14 VanDerWaalsContact CE1-CE3 3.45Å; Y9-W14 AromaticContact CE1-CZ3 3.76Å; Y9-W14 HydrophobicContact CE1-CZ3 3.76Å; Y9-W14 PolarHBondContact O-N 3.19Å; Y9-G15 PolarHBondContact OH-N 3.28Å; Y9-E16 PolarHBondContact OH-O 2.85Å; Y9-V19 HydrophobicContact CD2-CB 4.06Å; Y9-V19 HydrophobicContact CD2-CG1 4.26Å; Y9-T40 HydrophobicContact CD1-CG2 3.72Å; Y9-T40 HydrophobicContact CD2-CG2 3.93Å; Y9-T40 HydrophobicContact CE1-CG2 3.9Å; Y9-T40 HydrophobicContact CE2-CG2 4.13Å; Y9-T40 HydrophobicContact CG-CG2 3.75Å; Y9-I41 HydrophobicContact CE1-CD1 4.31Å; Y9-I41 HydrophobicContact CE1-CG1 3.6Å; Y9-I41 WeakPolarHBondContact OH-CG1 3.49Å
10A98.6Very high98.1Very high36 Ų3634.2 Ų34.230%0.29818%0.18SC..Hα-helixtrans-62.8-33.3-178.300000113.3W6 D7 W14W6-A10 WeakPolarHBondContact O-CB 3.3Å; W6-A10 PolarHBondContact O-N 3.47Å; D7-A10 PolarHBondContact O-N 3.14Å; A10-W14 HydrophobicContact CB-CD2 4.44Å; A10-W14 HydrophobicContact CB-CE3 3.69Å; A10-W14 HydrophobicContact CB-CZ3 4.09Å; A10-W14 WeakPolarHBondContact O-CB 3.43Å
11A98.6Very high98.1Very high79 Ų7932.6 Ų32.665%0.65317%0.172SC*.Hα-helixtrans-75.6-27.3177.500000113.6D7 Y9D7-A11 WeakPolarHBondContact O-CB 3.46Å; D7-A11 PolarHBondContact O-N 2.84Å; Y9-A11 VanDerWaalsContact C-N 3.29Å; Y9-A11 PolarHBondContact O-N 3.31Å
12N98.4Very high98.1Very high51 Ų5132.6 Ų32.627%0.27318%0.175SC..Hα-helixtrans-122.1-17.9-165.5-59-75.7000114.8G8 Y9 V19 R24 A375G8-N12 PolarHBondContact O-N 2.79Å; G8-N12 PolarHBondContact O-ND2 3.2Å; Y9-N12 PolarHBondContact O-N 3.41Å; N12-V19 HydrophobicContact CB-CG2 4.19Å; N12-R24 HydrophobicContact CB-CB 4.25Å; N12-R24 WeakPolarHBondContact OD1-CB 3.38Å; N12-A375 WeakPolarHBondContact ND2-CB 3.3Å
13A97.3Very high98.1Very high4 Ų435.9 Ų35.93%0.03320%0.197CC..  trans-150.925.9-173.300000113.3Y9 G15 E16 V19 P26Y9-A13 HydrophobicContact CD2-CB 3.96Å; Y9-A13 HydrophobicContact CE2-CB 4.02Å; Y9-A13 WeakPolarHBondContact CE2-O 3.27Å; Y9-A13 CarbonylContact O-C 3.44Å; Y9-A13 WeakPolarHBondContact O-CA 3.47Å; Y9-A13 PolarHBondContact O-N 3.21Å; Y9-A13 PolarHBondContact OH-O 3.21Å; A13-G15 PolarHBondContact O-N 2.78Å; A13-G15 VanDerWaalsContact O-N 3.14Å; A13-E16 HydrophobicContact CB-CB 4.14Å; A13-E16 HydrophobicContact CB-CG 4.27Å; A13-E16 VanDerWaalsContact O-CB 3.23Å; A13-E16 WeakPolarHBondContact O-CB 3.48Å; A13-E16 WeakPolarHBondContact O-CG 3.47Å; A13-E16 PolarHBondContact O-N 3.01Å; A13-V19 HydrophobicContact CB-CB 3.77Å; A13-V19 HydrophobicContact CB-CG2 3.86Å; A13-P26 HydrophobicContact CB-CG 4.44Å
14W98.2Very high98.1Very high86 Ų8636.9 Ų36.933%0.32620%0.197SC..THydrogen-bonded Turntrans-57.8119-177.6-170.1-114.1000113.1W6 Y9 A10 E16 I41 W63W6-W14 AromaticContact CE2-CZ3 3.95Å; W6-W14 HydrophobicContact CH2-CH2 4.23Å; W6-W14 HydrophobicContact CH2-CZ3 4.27Å; W6-W14 AromaticContact CZ2-CH2 3.58Å; W6-W14 HydrophobicContact CZ2-CH2 3.58Å; W6-W14 AromaticContact CZ2-CZ3 3.63Å; W6-W14 HydrophobicContact CZ2-CZ3 3.63Å; Y9-W14 AromaticContact CD1-CE3 3.94Å; Y9-W14 HydrophobicContact CD1-CE3 3.94Å; Y9-W14 HydrophobicContact CD1-CZ3 4.18Å; Y9-W14 AromaticContact CE1-CE3 3.45Å; Y9-W14 HydrophobicContact CE1-CE3 3.45Å; Y9-W14 VanDerWaalsContact CE1-CE3 3.45Å; Y9-W14 AromaticContact CE1-CZ3 3.76Å; Y9-W14 HydrophobicContact CE1-CZ3 3.76Å; Y9-W14 PolarHBondContact O-N 3.19Å; A10-W14 HydrophobicContact CB-CD2 4.44Å; A10-W14 HydrophobicContact CB-CE3 3.69Å; A10-W14 HydrophobicContact CB-CZ3 4.09Å; A10-W14 WeakPolarHBondContact O-CB 3.43Å; W14-E16 VanDerWaalsContact C-N 3.33Å; W14-I41 HydrophobicContact CD2-CD1 3.77Å; W14-I41 HydrophobicContact CD2-CG1 4.4Å; W14-I41 HydrophobicContact CE3-CD1 3.81Å; W14-I41 HydrophobicContact CE3-CG1 3.93Å; W14-I41 HydrophobicContact CG-CD1 4.49Å; W14-I41 HydrophobicContact CH2-CD1 3.78Å; W14-I41 HydrophobicContact CH2-CG1 3.74Å; W14-I41 HydrophobicContact CH2-CG2 4.19Å; W14-I41 HydrophobicContact CZ2-CD1 3.73Å; W14-I41 HydrophobicContact CZ2-CG1 4.22Å; W14-I41 HydrophobicContact CZ3-CD1 3.84Å; W14-I41 HydrophobicContact CZ3-CG1 3.59Å; W14-W63 AromaticContact CD1-CD1 3.82Å; W14-W63 AromaticContact CE2-CD1 3.98Å; W14-W63 HydrophobicContact CZ2-CB 3.89Å; W14-W63 HydrophobicContact CZ2-CG 4.3Å; W14-W63 AromaticContact NE1-CD1 3.29Å; W14-W63 VanDerWaalsContact NE1-CD1 3.29Å; W14-W63 AromaticContact NE1-CG 3.92Å
15G96.8Very high98Very high4 Ų436.2 Ų36.24%0.04120%0.199CC..THydrogen-bonded Turntrans88.9-5.4-177.800000114.3Y9 A13 K36 G38 W63Y9-G15 PolarHBondContact OH-N 3.28Å; A13-G15 PolarHBondContact O-N 2.78Å; A13-G15 VanDerWaalsContact O-N 3.14Å; G15-K36 CarbonylContact O-C 3.53Å; G15-K36 VanDerWaalsContact O-C 3.24Å; G15-K36 WeakPolarHBondContact O-CA 3.32Å; G15-G38 WeakPolarHBondContact O-CA 3.35Å; G15-G38 PolarHBondContact O-N 3.26Å; G15-G38 VanDerWaalsContact O-N 3.09Å; G15-W63 VanDerWaalsContact CA-CZ2 3.42Å
16E96.6Very high97.9Very high14 Ų1437.8 Ų37.87%0.06521%0.209CC..SBendtrans-80.6165.6166.4-52.8-82161.600109Y9 A13 W14 P26 R28 K36 G38Y9-E16 PolarHBondContact OH-O 2.85Å; A13-E16 HydrophobicContact CB-CB 4.14Å; A13-E16 HydrophobicContact CB-CG 4.27Å; A13-E16 VanDerWaalsContact O-CB 3.23Å; A13-E16 WeakPolarHBondContact O-CB 3.48Å; A13-E16 WeakPolarHBondContact O-CG 3.47Å; A13-E16 PolarHBondContact O-N 3.01Å; W14-E16 VanDerWaalsContact C-N 3.33Å; E16-P26 HydrophobicContact CB-CB 4.01Å; E16-P26 HydrophobicContact CG-CB 3.63Å; E16-P26 HydrophobicContact CG-CG 3.68Å; E16-R28 IonicContact OE2-NE 2.65Å; E16-K36 WeakPolarHBondContact OE1-CE 3.44Å; E16-K36 IonicContact OE1-NZ 2.8Å; E16-K36 PolarHBondContact OE1-NZ 2.79Å; E16-G38 WeakPolarHBondContact O-CA 3.36Å
17N96.7Very high97.7Very high2 Ų238.1 Ų38.11%0.01121%0.211CC..SBendtrans-69-42-178-60.2-35.8000111.4F32 G33 N35 L37 G38 L39 T40 Y86N17-F32 WeakPolarHBondContact ND2-CB 3.37Å; N17-G33 PolarHBondContact ND2-O 3.23Å; N17-N35 VanDerWaalsContact CG-O 3.31Å; N17-N35 PolarHBondContact ND2-O 3.32Å; N17-N35 PolarHBondContact OD1-O 3.22Å; N17-L37 PolarHBondContact OD1-N 3.09Å; N17-G38 PolarHBondContact OD1-N 2.64Å; N17-L39 HydrophobicContact CB-CB 3.79Å; N17-T40 WeakPolarHBondContact O-CB 3.33Å; N17-T40 PolarHBondContact O-N 3.02Å; N17-T40 PolarHBondContact O-OG1 2.59Å; N17-Y86 PolarHBondContact OD1-OH 3.44Å
18E96.9Very high97.3Very high5 Ų540.4 Ų40.42%0.02321%0.214CC..EExtended strand (participates in β ladder)trans-149.6167.1-172.6-68.6177.6155.500111H27 S30 Q395 S396E18-H27 HydrophobicContact CB-CB 3.86Å; E18-H27 PolarHBondContact O-N 3.06Å; E18-H27 IonicContact OE2-CE1 2.65Å; E18-H27 PolarHBondContact OE2-CE1 3.37Å; E18-H27 IonicContact OE2-CG 3.83Å; E18-H27 IonicContact OE2-ND1 3.52Å; E18-H27 PolarHBondContact OE2-ND1 3.28Å; E18-S30 WeakPolarHBondContact OE2-CB 3.42Å; E18-Q395 WeakPolarHBondContact OE1-CA 3.34Å; E18-Q395 PolarHBondContact OE1-OE1 2.98Å; E18-S396 PolarHBondContact OE1-N 3.19Å
19V97.9Very high96.5Very high0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-117.7147.5178.864.80000111.3Y9 N12 A13 P21 Q394Y9-V19 HydrophobicContact CD2-CB 4.06Å; Y9-V19 HydrophobicContact CD2-CG1 4.26Å; N12-V19 HydrophobicContact CB-CG2 4.19Å; A13-V19 HydrophobicContact CB-CB 3.77Å; A13-V19 HydrophobicContact CB-CG2 3.86Å; V19-P21 WeakPolarHBondContact O-CD 3.38Å; V19-Q394 HydrophobicContact CG1-CB 3.73Å; V19-Q394 HydrophobicContact CG1-CG 4.46Å; V19-Q394 PolarHBondContact O-N 3.14Å
20R98.3Very high95.7Very high51 Ų5148 Ų4819%0.19225%0.251CS..EExtended strand (participates in β ladder)trans-9198161.7-64.3-160.3169.7-82.47.6109V22 T23 R24 T25 H27 M29 D392R20-V22 VanDerWaalsContact C-N 3.31Å; R20-V22 PolarHBondContact O-N 3.49Å; R20-T23 VanDerWaalsContact CB-OG1 3.26Å; R20-T23 WeakPolarHBondContact CB-OG1 3.3Å; R20-R24 WeakPolarHBondContact O-CA 3.25Å; R20-R24 PolarHBondContact O-N 3.01Å; R20-T25 VanDerWaalsContact CB-O 3.24Å; R20-T25 WeakPolarHBondContact CB-O 3.4Å; R20-T25 WeakPolarHBondContact CD-OG1 3.27Å; R20-T25 PolarHBondContact N-O 2.96Å; R20-T25 PolarHBondContact O-N 2.85Å; R20-H27 HydrophobicContact CG-CB 3.86Å; R20-M29 VanDerWaalsContact NH2-CE 3.28Å; R20-D392 WeakPolarHBondContact CA-O 3.42Å; R20-D392 WeakPolarHBondContact CA-OD1 3.45Å; R20-D392 WeakPolarHBondContact CB-O 3.5Å; R20-D392 WeakPolarHBondContact CB-OD1 3.22Å; R20-D392 WeakPolarHBondContact CB-OD2 2.93Å; R20-D392 VanDerWaalsContact CG-O 3.27Å; R20-D392 WeakPolarHBondContact CG-O 3.32Å; R20-D392 PolarHBondContact NH1-O 2.96Å
21P98.5Very high95Very high0 Ų049.5 Ų49.50%026%0.257CS..THydrogen-bonded Turntrans-77.4-12.2-166.134.7-40.4000114.2V19 A373 A374 A375 D392 Q394V19-P21 WeakPolarHBondContact O-CD 3.38Å; P21-A373 HydrophobicContact CB-CB 3.86Å; P21-A373 HydrophobicContact CG-CB 3.94Å; P21-A374 PolarHBondContact O-N 3.24Å; P21-A375 PolarHBondContact O-N 2.99Å; P21-D392 WeakPolarHBondContact CD-OD1 3.47Å; P21-D392 VanDerWaalsContact N-OD1 3.13Å; P21-Q394 HydrophobicContact CG-CB 4.23Å
22V98.5Very high94.6Very high67 Ų6745.9 Ų45.941%0.40623%0.226SC..THydrogen-bonded Turntrans-87-56173-1730000109.9R20 R24 A373 L390 D392R20-V22 VanDerWaalsContact C-N 3.31Å; R20-V22 PolarHBondContact O-N 3.49Å; V22-R24 VanDerWaalsContact C-N 3.28Å; V22-R24 PolarHBondContact O-N 3.38Å; V22-A373 HydrophobicContact CG2-CB 3.85Å; V22-L390 HydrophobicContact CG2-CB 3.98Å; V22-L390 HydrophobicContact CG2-CD1 3.51Å; V22-L390 HydrophobicContact CG2-CG 4.38Å; V22-D392 VanDerWaalsContact CA-OD1 3.31Å; V22-D392 WeakPolarHBondContact CA-OD1 3.29Å; V22-D392 HydrophobicContact CB-CB 4.14Å; V22-D392 WeakPolarHBondContact CB-OD1 3.31Å; V22-D392 HydrophobicContact CG2-CB 4.1Å; V22-D392 PolarHBondContact N-OD1 3.32Å
23T98.1Very high93.8Very high81 Ų8144.7 Ų44.750%0.49723%0.226SC..THydrogen-bonded Turntrans-78.7-11.5-179.156.20000113.6R20 T25 D392R20-T23 VanDerWaalsContact CB-OG1 3.26Å; R20-T23 WeakPolarHBondContact CB-OG1 3.3Å; T23-T25 VanDerWaalsContact C-N 3.34Å; T23-T25 PolarHBondContact OG1-OG1 2.96Å; T23-D392 VanDerWaalsContact CB-OD2 3.25Å; T23-D392 WeakPolarHBondContact CB-OD2 3.45Å; T23-D392 WeakPolarHBondContact CG2-OD2 3.48Å; T23-D392 PolarHBondContact N-OD1 3.39Å; T23-D392 PolarHBondContact N-OD2 3.33Å; T23-D392 PolarHBondContact OG1-OD2 3.46Å
24R98.3Very high93.4Very high137 Ų13749.9 Ų49.952%0.51725%0.254SS..THydrogen-bonded Turntrans59.642.9-179.1-61.2-177.5178.7149.9-5.2112.6N12 R20 V22 A375N12-R24 HydrophobicContact CB-CB 4.25Å; N12-R24 WeakPolarHBondContact OD1-CB 3.38Å; R20-R24 WeakPolarHBondContact O-CA 3.25Å; R20-R24 PolarHBondContact O-N 3.01Å; V22-R24 VanDerWaalsContact C-N 3.28Å; V22-R24 PolarHBondContact O-N 3.38Å; R24-A375 HydrophobicContact CG-CB 3.84Å
25T97Very high93.2Very high59 Ų5946.5 Ų46.536%0.36224%0.242SC..EExtended strand (participates in β ladder)trans-126.5162.8179.560.60000111.4R20 T23R20-T25 VanDerWaalsContact CB-O 3.24Å; R20-T25 WeakPolarHBondContact CB-O 3.4Å; R20-T25 WeakPolarHBondContact CD-OG1 3.27Å; R20-T25 PolarHBondContact N-O 2.96Å; R20-T25 PolarHBondContact O-N 2.85Å; T23-T25 VanDerWaalsContact C-N 3.34Å; T23-T25 PolarHBondContact OG1-OG1 2.96Å
26P96.4Very high93.1Very high33 Ų3352.6 Ų52.621%0.21427%0.267CS..EExtended strand (participates in β ladder)trans-63.1136.5172.5-26.337.5000112.6A13 E16 R28A13-P26 HydrophobicContact CB-CG 4.44Å; E16-P26 HydrophobicContact CB-CB 4.01Å; E16-P26 HydrophobicContact CG-CB 3.63Å; E16-P26 HydrophobicContact CG-CG 3.68Å; P26-R28 HydrophobicContact CB-CG 4.29Å
27H95Very high93.1Very high13 Ų1352 Ų526%0.0627%0.265CS..EExtended strand (participates in β ladder)trans-89118.8167.9179-119.6000109.7E18 R20E18-H27 HydrophobicContact CB-CB 3.86Å; E18-H27 PolarHBondContact O-N 3.06Å; E18-H27 IonicContact OE2-CE1 2.65Å; E18-H27 PolarHBondContact OE2-CE1 3.37Å; E18-H27 IonicContact OE2-CG 3.83Å; E18-H27 IonicContact OE2-ND1 3.52Å; E18-H27 PolarHBondContact OE2-ND1 3.28Å; R20-H27 HydrophobicContact CG-CB 3.86Å
28R89.4Confident93.1Very high119 Ų11952 Ų5245%0.44926%0.264SS..  trans-117.34.4-171.7-61.1-178.9177.8162.92.8114.9E16 P26 G33 N34E16-R28 IonicContact OE2-NE 2.65Å; P26-R28 HydrophobicContact CB-CG 4.29Å; R28-G33 CarbonylContact O-C 3.57Å; R28-G33 VanDerWaalsContact O-C 3.27Å; R28-G33 WeakPolarHBondContact O-CA 3.39Å; R28-N34 WeakPolarHBondContact CB-OD1 3.19Å; R28-N34 VanDerWaalsContact CD-OD1 3.3Å; R28-N34 WeakPolarHBondContact CD-OD1 3.39Å
29M82Confident93.1Very high146 Ų14651.8 Ų51.872%0.71926%0.264SS*.  trans-97.615.7179.3-54.7-176.1-49.200112.4R20R20-M29 VanDerWaalsContact NH2-CE 3.28Å
30S82.3Confident93.2Very high20 Ų2051.8 Ų51.814%0.1426%0.264CS..SBendtrans-71171.9174.271.90000111.4E18 F32 G33E18-S30 WeakPolarHBondContact OE2-CB 3.42Å; S30-F32 PolarHBondContact O-N 3.28Å; S30-F32 PolarHBondContact OG-N 3.48Å; S30-G33 PolarHBondContact O-N 2.79Å
31V84.1Confident93.2Very high69 Ų6949.4 Ų49.442%0.41826%0.255SS..THydrogen-bonded Turntrans-59.4-14.2176-65.80000114.2E81V31-E81 HydrophobicContact CG2-CB 4.17Å; V31-E81 HydrophobicContact CG2-CG 3.99Å
32F89.4Confident93.2Very high2 Ų249.4 Ų49.41%0.00926%0.255CS..THydrogen-bonded Turntrans-99-0.1175.3-56.1-69.2000113.2N17 S30 N35 L39 L77 E81 S82 Y86N17-F32 WeakPolarHBondContact ND2-CB 3.37Å; S30-F32 PolarHBondContact O-N 3.28Å; S30-F32 PolarHBondContact OG-N 3.48Å; F32-N35 WeakPolarHBondContact O-CB 3.34Å; F32-N35 PolarHBondContact O-N 3.08Å; F32-N35 PolarHBondContact O-ND2 3.15Å; F32-L39 HydrophobicContact CD2-CD1 4.48Å; F32-L39 HydrophobicContact CD2-CD2 3.7Å; F32-L39 HydrophobicContact CD2-CG 4.48Å; F32-L39 HydrophobicContact CE2-CD1 3.82Å; F32-L39 HydrophobicContact CE2-CD2 3.48Å; F32-L39 VanDerWaalsContact CE2-CD2 3.48Å; F32-L39 HydrophobicContact CE2-CG 4.19Å; F32-L39 HydrophobicContact CZ-CD1 4.32Å; F32-L77 HydrophobicContact CD1-CD2 4.21Å; F32-E81 HydrophobicContact CE1-CB 4.07Å; F32-E81 HydrophobicContact CE2-CB 4.26Å; F32-E81 HydrophobicContact CZ-CB 3.49Å; F32-E81 VanDerWaalsContact CZ-CB 3.49Å; F32-S82 WeakPolarHBondContact CE1-OG 3.48Å; F32-Y86 HydrophobicContact CD1-CE2 4.19Å; F32-Y86 HydrophobicContact CD2-CE2 4.45Å; F32-Y86 HydrophobicContact CE1-CD2 4.37Å; F32-Y86 AromaticContact CE1-CE2 3.75Å; F32-Y86 HydrophobicContact CE1-CE2 3.75Å; F32-Y86 HydrophobicContact CE2-CE2 4.02Å; F32-Y86 HydrophobicContact CZ-CD2 4.19Å; F32-Y86 AromaticContact CZ-CE2 3.62Å; F32-Y86 HydrophobicContact CZ-CE2 3.62Å
33G82.6Confident93.2Very high26 Ų2646.2 Ų46.227%0.26824%0.235SC..THydrogen-bonded Turntrans59.1-142.3176.700000113.9N17 R28 S30 N35N17-G33 PolarHBondContact ND2-O 3.23Å; R28-G33 CarbonylContact O-C 3.57Å; R28-G33 VanDerWaalsContact O-C 3.27Å; R28-G33 WeakPolarHBondContact O-CA 3.39Å; S30-G33 PolarHBondContact O-N 2.79Å; G33-N35 PolarHBondContact O-N 3.16Å
34N89.1Confident93.2Very high114 Ų11442.3 Ų42.361%0.6121%0.212SC*.THydrogen-bonded Turntrans-77.92.5-178.3-66.2-42.1000114R28R28-N34 WeakPolarHBondContact CB-OD1 3.19Å; R28-N34 VanDerWaalsContact CD-OD1 3.3Å; R28-N34 WeakPolarHBondContact CD-OD1 3.39Å
35N93.4Very high93.3Very high15 Ų1535.8 Ų35.88%0.0819%0.187CC..  trans-67.1138.5-176.5-69.6-69.1000110.8N17 F32 G33 L37 A73 S74N17-N35 VanDerWaalsContact CG-O 3.31Å; N17-N35 PolarHBondContact ND2-O 3.32Å; N17-N35 PolarHBondContact OD1-O 3.22Å; F32-N35 WeakPolarHBondContact O-CB 3.34Å; F32-N35 PolarHBondContact O-N 3.08Å; F32-N35 PolarHBondContact O-ND2 3.15Å; G33-N35 PolarHBondContact O-N 3.16Å; N35-L37 VanDerWaalsContact C-N 3.3Å; N35-L37 HydrophobicContact CB-CD1 3.94Å; N35-L37 HydrophobicContact CB-CG 3.94Å; N35-L37 PolarHBondContact O-N 2.66Å; N35-A73 WeakPolarHBondContact OD1-CA 3.15Å; N35-S74 PolarHBondContact ND2-O 3.18Å; N35-S74 PolarHBondContact OD1-N 3.29Å; N35-S74 PolarHBondContact OD1-O 3.45Å; N35-S74 PolarHBondContact OD1-OG 2.77Å
36K94Very high93.3Very high131 Ų13133 Ų3357%0.5717%0.17SC*.  trans-93.262.8177.3-60.3-168.5-175.4-138.10110.9G15 E16G15-K36 CarbonylContact O-C 3.53Å; G15-K36 VanDerWaalsContact O-C 3.24Å; G15-K36 WeakPolarHBondContact O-CA 3.32Å; E16-K36 WeakPolarHBondContact OE1-CE 3.44Å; E16-K36 IonicContact OE1-NZ 2.8Å; E16-K36 PolarHBondContact OE1-NZ 2.79Å
37L96.5Very high93.4Very high3 Ų331.4 Ų31.42%0.01616%0.159CC..  trans-941.8-177.1-66.6172.6000112.4N17 N35 L39 L68 F70 A73 L77 Y86N17-L37 PolarHBondContact OD1-N 3.09Å; N35-L37 VanDerWaalsContact C-N 3.3Å; N35-L37 HydrophobicContact CB-CD1 3.94Å; N35-L37 HydrophobicContact CB-CG 3.94Å; N35-L37 PolarHBondContact O-N 2.66Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.49Å; L37-L68 WeakPolarHBondContact O-CD1 3.24Å; L37-F70 HydrophobicContact CB-CE2 4.45Å; L37-F70 HydrophobicContact CD1-CD2 4.37Å; L37-F70 HydrophobicContact CD1-CE1 4.32Å; L37-F70 HydrophobicContact CD1-CE2 4.06Å; L37-F70 HydrophobicContact CD1-CZ 4.03Å; L37-F70 HydrophobicContact CD2-CD2 3.86Å; L37-F70 HydrophobicContact CD2-CE2 4.11Å; L37-F70 HydrophobicContact CD2-CG 4.44Å; L37-F70 HydrophobicContact CG-CE2 4.43Å; L37-A73 HydrophobicContact CD1-CB 4.07Å; L37-A73 HydrophobicContact CD2-CB 4.39Å; L37-L77 HydrophobicContact CD1-CD1 3.98Å; L37-L77 HydrophobicContact CD1-CD2 4.38Å; L37-Y86 HydrophobicContact CB-CE1 4.12Å; L37-Y86 WeakPolarHBondContact CB-OH 3.38Å; L37-Y86 WeakPolarHBondContact O-CE1 3.36Å
38G97.2Very high93.6Very high0 Ų030.8 Ų30.80%016%0.157CC..  trans60.238.7173.300000113.5G15 E16 N17 T40 I41 V42G15-G38 WeakPolarHBondContact O-CA 3.35Å; G15-G38 PolarHBondContact O-N 3.26Å; G15-G38 VanDerWaalsContact O-N 3.09Å; E16-G38 WeakPolarHBondContact O-CA 3.36Å; N17-G38 PolarHBondContact OD1-N 2.64Å; G38-T40 VanDerWaalsContact C-N 3.34Å; G38-T40 PolarHBondContact O-N 3.15Å; G38-I41 WeakPolarHBondContact O-CA 3.41Å; G38-I41 VanDerWaalsContact O-CB 3.29Å; G38-I41 WeakPolarHBondContact O-CB 3.43Å; G38-I41 PolarHBondContact O-N 2.79Å; G38-V42 PolarHBondContact O-N 3.28Å; G38-V42 VanDerWaalsContact O-N 3.14Å
39L98Very high94.1Very high2 Ų228.8 Ų28.81%0.0115%0.151CC..Hα-helixtrans-45.5-56.3-177.9177.965.8000111.9N17 F32 L37 I41 V42 D43 R85 Y86 S396N17-L39 HydrophobicContact CB-CB 3.79Å; F32-L39 HydrophobicContact CD2-CD1 4.48Å; F32-L39 HydrophobicContact CD2-CD2 3.7Å; F32-L39 HydrophobicContact CD2-CG 4.48Å; F32-L39 HydrophobicContact CE2-CD1 3.82Å; F32-L39 HydrophobicContact CE2-CD2 3.48Å; F32-L39 VanDerWaalsContact CE2-CD2 3.48Å; F32-L39 HydrophobicContact CE2-CG 4.19Å; F32-L39 HydrophobicContact CZ-CD1 4.32Å; L37-L39 VanDerWaalsContact C-N 3.32Å; L37-L39 PolarHBondContact O-N 3.49Å; L39-I41 PolarHBondContact O-N 3.11Å; L39-I41 VanDerWaalsContact O-N 3.09Å; L39-V42 PolarHBondContact O-N 3.24Å; L39-D43 HydrophobicContact CD1-CB 4.29Å; L39-D43 HydrophobicContact CG-CB 4.45Å; L39-D43 WeakPolarHBondContact O-CB 3.24Å; L39-D43 PolarHBondContact O-N 3.22Å; L39-R85 HydrophobicContact CD1-CB 3.79Å; L39-R85 HydrophobicContact CD1-CG 4.37Å; L39-Y86 WeakPolarHBondContact CA-OH 3.33Å; L39-Y86 HydrophobicContact CB-CE2 4.45Å; L39-Y86 VanDerWaalsContact CB-OH 3.29Å; L39-Y86 WeakPolarHBondContact CB-OH 3.27Å; L39-Y86 HydrophobicContact CD1-CD2 3.95Å; L39-Y86 HydrophobicContact CD1-CE1 4.31Å; L39-Y86 HydrophobicContact CD1-CE2 3.41Å; L39-Y86 VanDerWaalsContact CD1-CE2 3.41Å; L39-Y86 HydrophobicContact CG-CE2 4.49Å; L39-Y86 PolarHBondContact N-OH 2.92Å; L39-S396 VanDerWaalsContact CD2-OG 3.23Å; L39-S396 WeakPolarHBondContact CD2-OG 3.3Å
40T98.3Very high94.9Very high0 Ų022.2 Ų22.20%012%0.119CC..Hα-helixtrans-55.3-31.6179.7-63.80000112.9Y9 N17 G38 A44 L399Y9-T40 HydrophobicContact CD1-CG2 3.72Å; Y9-T40 HydrophobicContact CD2-CG2 3.93Å; Y9-T40 HydrophobicContact CE1-CG2 3.9Å; Y9-T40 HydrophobicContact CE2-CG2 4.13Å; Y9-T40 HydrophobicContact CG-CG2 3.75Å; N17-T40 WeakPolarHBondContact O-CB 3.33Å; N17-T40 PolarHBondContact O-N 3.02Å; N17-T40 PolarHBondContact O-OG1 2.59Å; G38-T40 VanDerWaalsContact C-N 3.34Å; G38-T40 PolarHBondContact O-N 3.15Å; T40-A44 VanDerWaalsContact O-CB 3.28Å; T40-A44 WeakPolarHBondContact O-CB 3.27Å; T40-A44 PolarHBondContact O-N 3.24Å; T40-L399 HydrophobicContact CG2-CD2 4.46Å
41I98.8Very high95.6Very high0 Ų022.8 Ų22.80%012%0.12CC..Hα-helixtrans-67.8-52.5175.7-61.4170.2000109.9W6 Y9 W14 G38 L39 L45 W63 I64W6-I41 HydrophobicContact CH2-CG2 4.47Å; Y9-I41 HydrophobicContact CE1-CD1 4.31Å; Y9-I41 HydrophobicContact CE1-CG1 3.6Å; Y9-I41 WeakPolarHBondContact OH-CG1 3.49Å; W14-I41 HydrophobicContact CD2-CD1 3.77Å; W14-I41 HydrophobicContact CD2-CG1 4.4Å; W14-I41 HydrophobicContact CE3-CD1 3.81Å; W14-I41 HydrophobicContact CE3-CG1 3.93Å; W14-I41 HydrophobicContact CG-CD1 4.49Å; W14-I41 HydrophobicContact CH2-CD1 3.78Å; W14-I41 HydrophobicContact CH2-CG1 3.74Å; W14-I41 HydrophobicContact CH2-CG2 4.19Å; W14-I41 HydrophobicContact CZ2-CD1 3.73Å; W14-I41 HydrophobicContact CZ2-CG1 4.22Å; W14-I41 HydrophobicContact CZ3-CD1 3.84Å; W14-I41 HydrophobicContact CZ3-CG1 3.59Å; G38-I41 WeakPolarHBondContact O-CA 3.41Å; G38-I41 VanDerWaalsContact O-CB 3.29Å; G38-I41 WeakPolarHBondContact O-CB 3.43Å; G38-I41 PolarHBondContact O-N 2.79Å; L39-I41 PolarHBondContact O-N 3.11Å; L39-I41 VanDerWaalsContact O-N 3.09Å; I41-L45 VanDerWaalsContact O-CB 3.3Å; I41-L45 WeakPolarHBondContact O-CB 3.46Å; I41-L45 PolarHBondContact O-N 3.49Å; I41-W63 HydrophobicContact CB-CE3 4.4Å; I41-W63 HydrophobicContact CD1-CB 4.25Å; I41-W63 HydrophobicContact CD1-CD2 3.43Å; I41-W63 VanDerWaalsContact CD1-CD2 3.43Å; I41-W63 HydrophobicContact CD1-CE3 3.7Å; I41-W63 HydrophobicContact CD1-CG 3.67Å; I41-W63 HydrophobicContact CD1-CZ2 4.44Å; I41-W63 HydrophobicContact CD1-CZ3 4.33Å; I41-W63 HydrophobicContact CG2-CE3 4.24Å; I41-I64 HydrophobicContact CG2-CD1 4.45Å; I41-I64 HydrophobicContact CG2-CG1 4.22Å
42V98.8Very high96.3Very high0 Ų022.2 Ų22.20%013%0.127CC..Hα-helixtrans-67.7-46.5-174.5-177.90000110.7G38 L39 L45 I64 L68 Y86 L90G38-V42 PolarHBondContact O-N 3.28Å; G38-V42 VanDerWaalsContact O-N 3.14Å; L39-V42 PolarHBondContact O-N 3.24Å; V42-L45 PolarHBondContact O-N 2.96Å; V42-I64 HydrophobicContact CG2-CD1 3.98Å; V42-I64 HydrophobicContact CG2-CG1 4.01Å; V42-L68 HydrophobicContact CG2-CD1 4.41Å; V42-L68 HydrophobicContact CG2-CD2 4.08Å; V42-Y86 HydrophobicContact CB-CD1 3.94Å; V42-Y86 HydrophobicContact CB-CE1 4.25Å; V42-Y86 HydrophobicContact CG1-CD1 3.92Å; V42-Y86 HydrophobicContact CG1-CG 4.49Å; V42-Y86 HydrophobicContact CG2-CD1 3.88Å; V42-Y86 HydrophobicContact CG2-CE1 4.01Å; V42-L90 HydrophobicContact CG1-CD1 4.49Å; V42-L90 HydrophobicContact CG1-CD2 4.09Å; V42-L90 HydrophobicContact CG1-CG 3.83Å
43D98.4Very high96.7Very high0 Ų023 Ų230%013%0.132CC..Hα-helixtrans-64.4-43.4-175.6-155.7-6.1000110.8L39 R85 S396 S400 H428L39-D43 HydrophobicContact CD1-CB 4.29Å; L39-D43 HydrophobicContact CG-CB 4.45Å; L39-D43 WeakPolarHBondContact O-CB 3.24Å; L39-D43 PolarHBondContact O-N 3.22Å; D43-R85 IonicContact OD2-CZ 2.71Å; D43-R85 IonicContact OD2-NH1 2.68Å; D43-R85 PolarHBondContact OD2-NH1 3.36Å; D43-S396 VanDerWaalsContact OD2-CB 3.25Å; D43-S396 WeakPolarHBondContact OD2-CB 3.43Å; D43-S396 PolarHBondContact OD2-OG 2.81Å; D43-S400 VanDerWaalsContact C-CB 3.45Å; D43-S400 WeakPolarHBondContact O-CB 3.45Å; D43-S400 WeakPolarHBondContact OD1-CB 3.36Å; D43-S400 PolarHBondContact OD1-OG 2.89Å; D43-S400 PolarHBondContact OD2-OG 3.08Å; D43-H428 PolarHBondContact O-CE1 3.08Å; D43-H428 IonicContact OD1-CE1 2.76Å; D43-H428 PolarHBondContact OD1-CE1 2.98Å; D43-H428 IonicContact OD1-NE2 3.62Å; D43-H428 PolarHBondContact OD1-NE2 2.8Å
44A98.8Very high97.5Very high0 Ų026 Ų260%015%0.145CC..Hα-helixtrans-92.71-176.700000115.2F2 W6 T40 T47 A48 L399F2-A44 HydrophobicContact CE2-CB 4.23Å; F2-A44 HydrophobicContact CZ-CB 4.21Å; W6-A44 HydrophobicContact CE3-CB 4.21Å; W6-A44 HydrophobicContact CZ3-CB 3.91Å; T40-A44 VanDerWaalsContact O-CB 3.28Å; T40-A44 WeakPolarHBondContact O-CB 3.27Å; T40-A44 PolarHBondContact O-N 3.24Å; A44-T47 WeakPolarHBondContact O-CB 3.45Å; A44-T47 PolarHBondContact O-N 3.33Å; A44-A48 PolarHBondContact O-N 3.13Å; A44-L399 HydrophobicContact CB-CB 3.44Å; A44-L399 VanDerWaalsContact CB-CB 3.44Å; A44-L399 HydrophobicContact CB-CD2 4.11Å; A44-L399 HydrophobicContact CB-CG 4.42Å
45L98.9Very high97.9Very high0 Ų026.9 Ų26.90%015%0.15CC..Hα-helixtrans-67.6-40.9-171.4-164.960000112.6W6 I41 V42 T47 A48 F49 F57 K61 I64 F102W6-L45 HydrophobicContact CH2-CD1 4.25Å; I41-L45 VanDerWaalsContact O-CB 3.3Å; I41-L45 WeakPolarHBondContact O-CB 3.46Å; I41-L45 PolarHBondContact O-N 3.49Å; V42-L45 PolarHBondContact O-N 2.96Å; L45-T47 VanDerWaalsContact C-N 3.32Å; L45-A48 WeakPolarHBondContact O-CB 3.46Å; L45-A48 PolarHBondContact O-N 3.35Å; L45-F49 PolarHBondContact O-N 3.32Å; L45-F57 HydrophobicContact CD1-CD2 3.8Å; L45-F57 HydrophobicContact CD1-CE2 4.33Å; L45-F57 HydrophobicContact CD1-CG 4.42Å; L45-F57 WeakPolarHBondContact CD1-O 3.3Å; L45-F57 HydrophobicContact CD2-CD2 4.4Å; L45-F57 HydrophobicContact CD2-CE2 4.11Å; L45-F57 HydrophobicContact CG-CD2 3.68Å; L45-F57 HydrophobicContact CG-CE2 3.75Å; L45-F57 WeakPolarHBondContact O-CD2 3.35Å; L45-K61 HydrophobicContact CD2-CB 4.46Å; L45-I64 HydrophobicContact CD2-CD1 3.5Å; L45-I64 VanDerWaalsContact CD2-CD1 3.5Å; L45-F102 HydrophobicContact CD2-CE1 3.83Å; L45-F102 HydrophobicContact CD2-CZ 4.08Å
46D98.7Very high98.2Very high0 Ų028.3 Ų28.30%015%0.154CC..Hα-helixtrans-67.2-34.7176.464.95000111.7A48 F49 I50 S92 L96 K404 H428 P429D46-A48 VanDerWaalsContact C-N 3.33Å; D46-A48 PolarHBondContact O-N 3.36Å; D46-F49 WeakPolarHBondContact O-CB 3.37Å; D46-F49 PolarHBondContact O-N 3.1Å; D46-F49 VanDerWaalsContact O-N 3.17Å; D46-I50 WeakPolarHBondContact O-CB 3.42Å; D46-I50 WeakPolarHBondContact O-CD1 3.34Å; D46-I50 WeakPolarHBondContact O-CG1 3.27Å; D46-I50 PolarHBondContact O-N 2.85Å; D46-S92 WeakPolarHBondContact CB-OG 3.49Å; D46-S92 VanDerWaalsContact OD2-CB 3.31Å; D46-S92 WeakPolarHBondContact OD2-CB 3.37Å; D46-S92 PolarHBondContact OD2-OG 3.16Å; D46-L96 HydrophobicContact CB-CD1 3.82Å; D46-K404 WeakPolarHBondContact OD1-CE 3.44Å; D46-K404 IonicContact OD1-NZ 2.7Å; D46-K404 PolarHBondContact OD1-NZ 2.9Å; D46-K404 IonicContact OD2-NZ 3.48Å; D46-H428 IonicContact OD1-ND1 3.94Å; D46-H428 IonicContact OD2-CE1 3.74Å; D46-H428 IonicContact OD2-CG 2.7Å; D46-H428 IonicContact OD2-ND1 3.18Å; D46-H428 PolarHBondContact OD2-ND1 2.94Å; D46-P429 WeakPolarHBondContact OD2-CD 3.41Å
47T98.8Very high98.4Very high0 Ų022.3 Ų22.30%013%0.128CC..Hα-helixtrans-59.7-45.2171.2-48.10000110.7F2 A44 L45 F49 I50 M51 L399 S400 K404F2-T47 HydrophobicContact CD2-CG2 3.82Å; F2-T47 HydrophobicContact CE2-CG2 3.49Å; F2-T47 VanDerWaalsContact CE2-CG2 3.49Å; F2-T47 HydrophobicContact CZ-CG2 4.33Å; A44-T47 WeakPolarHBondContact O-CB 3.45Å; A44-T47 PolarHBondContact O-N 3.33Å; L45-T47 VanDerWaalsContact C-N 3.32Å; T47-F49 VanDerWaalsContact C-N 3.27Å; T47-F49 PolarHBondContact O-N 3.29Å; T47-I50 PolarHBondContact O-N 3.13Å; T47-M51 HydrophobicContact CG2-CE 3.33Å; T47-M51 HydrophobicContact CG2-CG 4.25Å; T47-M51 HydrophobicContact CG2-SD 3.87Å; T47-M51 WeakPolarHBondContact O-CB 3.27Å; T47-M51 VanDerWaalsContact O-CG 3.31Å; T47-M51 WeakPolarHBondContact O-CG 3.45Å; T47-M51 PolarHBondContact O-N 2.94Å; T47-L399 WeakPolarHBondContact CG2-O 3.28Å; T47-L399 PolarHBondContact OG1-O 3.05Å; T47-L399 VanDerWaalsContact OG1-O 3.08Å; T47-S400 WeakPolarHBondContact OG1-CA 3.48Å; T47-S400 PolarHBondContact OG1-O 2.52Å; T47-K404 HydrophobicContact CG2-CB 3.89Å; T47-K404 HydrophobicContact CG2-CG 4.37Å; T47-K404 WeakPolarHBondContact OG1-CE 3.33Å; T47-K404 PolarHBondContact OG1-NZ 3.31Å
48A98.8Very high98.5Very high0 Ų026.7 Ų26.70%015%0.148CC..Hα-helixtrans-60.3-39.5177.200000111.3F2 A44 L45 D46 G52 L53 R56F2-A48 HydrophobicContact CE1-CB 4.04Å; F2-A48 HydrophobicContact CZ-CB 3.96Å; A44-A48 PolarHBondContact O-N 3.13Å; L45-A48 WeakPolarHBondContact O-CB 3.46Å; L45-A48 PolarHBondContact O-N 3.35Å; D46-A48 VanDerWaalsContact C-N 3.33Å; D46-A48 PolarHBondContact O-N 3.36Å; A48-G52 PolarHBondContact O-N 3.06Å; A48-L53 HydrophobicContact CB-CB 4.35Å; A48-L53 WeakPolarHBondContact O-CA 3.11Å; A48-L53 WeakPolarHBondContact O-CB 3.4Å; A48-L53 PolarHBondContact O-N 2.67Å; A48-R56 HydrophobicContact CB-CB 4.44Å
49F98.7Very high98.6Very high77 Ų7728.8 Ų28.834%0.33817%0.166SC..Hα-helixtrans-64.4-50.6173.7-170.7-84.6000112L45 D46 T47 M51 G52 F57 L96 T97L45-F49 PolarHBondContact O-N 3.32Å; D46-F49 WeakPolarHBondContact O-CB 3.37Å; D46-F49 PolarHBondContact O-N 3.1Å; D46-F49 VanDerWaalsContact O-N 3.17Å; T47-F49 VanDerWaalsContact C-N 3.27Å; T47-F49 PolarHBondContact O-N 3.29Å; F49-M51 PolarHBondContact O-N 3.01Å; F49-G52 PolarHBondContact O-N 2.97Å; F49-F57 HydrophobicContact CB-CD2 3.69Å; F49-F57 HydrophobicContact CB-CE2 3.93Å; F49-F57 HydrophobicContact CB-CG 4.4Å; F49-F57 HydrophobicContact CD2-CD1 4.18Å; F49-F57 AromaticContact CD2-CD2 3.92Å; F49-F57 HydrophobicContact CD2-CD2 3.92Å; F49-F57 HydrophobicContact CD2-CE1 4.07Å; F49-F57 AromaticContact CD2-CE2 3.81Å; F49-F57 HydrophobicContact CD2-CE2 3.81Å; F49-F57 HydrophobicContact CD2-CG 4.11Å; F49-F57 AromaticContact CD2-CZ 3.9Å; F49-F57 HydrophobicContact CD2-CZ 3.9Å; F49-F57 HydrophobicContact CG-CD2 4.31Å; F49-F57 HydrophobicContact CG-CE2 4.28Å; F49-L96 HydrophobicContact CB-CD1 4.2Å; F49-L96 HydrophobicContact CD1-CB 3.95Å; F49-L96 HydrophobicContact CD1-CD1 3.78Å; F49-L96 HydrophobicContact CD1-CD2 4.35Å; F49-L96 HydrophobicContact CD1-CG 4.24Å; F49-L96 HydrophobicContact CE1-CB 3.88Å; F49-L96 HydrophobicContact CE1-CD1 4.49Å; F49-L96 HydrophobicContact CE1-CD2 4.38Å; F49-L96 HydrophobicContact CE1-CG 4.48Å; F49-L96 HydrophobicContact CG-CB 4.42Å; F49-L96 HydrophobicContact CG-CD1 4.16Å; F49-L96 HydrophobicContact CZ-CB 4.3Å; F49-T97 HydrophobicContact CD2-CG2 3.96Å; F49-T97 HydrophobicContact CE2-CG2 3.6Å; F49-T97 HydrophobicContact CZ-CG2 4.23Å
50I98.4Very high98.6Very high8 Ų828.7 Ų28.74%0.04117%0.165CC..Hα-helixtrans-54.7-40.8179.2-73.3159.2000111.3D46 T47 G52 K404 Y407 L408 W416 P429D46-I50 WeakPolarHBondContact O-CB 3.42Å; D46-I50 WeakPolarHBondContact O-CD1 3.34Å; D46-I50 WeakPolarHBondContact O-CG1 3.27Å; D46-I50 PolarHBondContact O-N 2.85Å; T47-I50 PolarHBondContact O-N 3.13Å; I50-G52 VanDerWaalsContact C-N 3.26Å; I50-G52 PolarHBondContact O-N 3.39Å; I50-K404 HydrophobicContact CD1-CD 4.11Å; I50-K404 HydrophobicContact CD1-CG 4.48Å; I50-Y407 HydrophobicContact CG2-CD1 3.91Å; I50-Y407 HydrophobicContact CG2-CE1 3.83Å; I50-L408 HydrophobicContact CG2-CD2 4.13Å; I50-W416 HydrophobicContact CB-CH2 4.39Å; I50-W416 HydrophobicContact CB-CZ2 3.87Å; I50-W416 HydrophobicContact CD1-CH2 4.45Å; I50-W416 HydrophobicContact CG1-CD2 4.38Å; I50-W416 HydrophobicContact CG1-CE3 4.42Å; I50-W416 HydrophobicContact CG1-CH2 3.46Å; I50-W416 VanDerWaalsContact CG1-CH2 3.46Å; I50-W416 HydrophobicContact CG1-CZ2 3.41Å; I50-W416 VanDerWaalsContact CG1-CZ2 3.41Å; I50-W416 HydrophobicContact CG1-CZ3 3.99Å; I50-W416 HydrophobicContact CG2-CD2 4.46Å; I50-W416 HydrophobicContact CG2-CZ2 3.96Å; I50-P429 HydrophobicContact CD1-CG 4.17Å
51M98.3Very high98.6Very high32 Ų3230.7 Ų30.716%0.15817%0.174CC..THydrogen-bonded Turntrans-81.53.6179.3-66.1-179.8-179.100114.1F2 T47 F49 L53 L403 Y407F2-M51 HydrophobicContact CB-CE 4.19Å; F2-M51 HydrophobicContact CB-SD 3.69Å; F2-M51 HydrophobicContact CD1-SD 4.21Å; F2-M51 HydrophobicContact CD2-CE 3.92Å; F2-M51 HydrophobicContact CD2-SD 3.77Å; F2-M51 HydrophobicContact CE2-SD 4.46Å; F2-M51 HydrophobicContact CG-CE 4.25Å; F2-M51 HydrophobicContact CG-SD 3.62Å; T47-M51 HydrophobicContact CG2-CE 3.33Å; T47-M51 HydrophobicContact CG2-CG 4.25Å; T47-M51 HydrophobicContact CG2-SD 3.87Å; T47-M51 WeakPolarHBondContact O-CB 3.27Å; T47-M51 VanDerWaalsContact O-CG 3.31Å; T47-M51 WeakPolarHBondContact O-CG 3.45Å; T47-M51 PolarHBondContact O-N 2.94Å; F49-M51 PolarHBondContact O-N 3.01Å; M51-L53 VanDerWaalsContact C-N 3.32Å; M51-L53 HydrophobicContact CB-CD1 4.05Å; M51-L53 HydrophobicContact CB-CG 3.89Å; M51-L53 PolarHBondContact O-N 3.4Å; M51-L53 HydrophobicContact SD-CD1 4.32Å; M51-L403 HydrophobicContact CE-CB 4.29Å; M51-L403 WeakPolarHBondContact CE-O 3.46Å; M51-Y407 HydrophobicContact CB-CE2 4.34Å; M51-Y407 HydrophobicContact CE-CD2 4.38Å; M51-Y407 HydrophobicContact CE-CG 4.04Å; M51-Y407 HydrophobicContact CG-CD1 4.04Å; M51-Y407 HydrophobicContact CG-CD2 3.8Å; M51-Y407 HydrophobicContact CG-CE1 4.23Å; M51-Y407 HydrophobicContact CG-CE2 4.01Å; M51-Y407 HydrophobicContact CG-CG 3.82Å
52G98.1Very high98.6Very high56 Ų5636.5 Ų36.558%0.57720%0.199SC*.THydrogen-bonded Turntrans68.226.4-178.700000114.3A48 F49 I50 T54A48-G52 PolarHBondContact O-N 3.06Å; F49-G52 PolarHBondContact O-N 2.97Å; I50-G52 VanDerWaalsContact C-N 3.26Å; I50-G52 PolarHBondContact O-N 3.39Å; G52-T54 VanDerWaalsContact C-N 3.34Å; G52-T54 PolarHBondContact O-N 3.01Å
53L98.7Very high98.6Very high19 Ų1937.9 Ų37.910%0.09920%0.204CC..  trans-90.962.9-177.3-57.1179.5000111.7F2 K3 A48 M51 D55 R56 F57F2-L53 HydrophobicContact CD1-CD1 3.34Å; F2-L53 HydrophobicContact CE1-CD1 3.68Å; F2-L53 HydrophobicContact CG-CD1 4.25Å; K3-L53 HydrophobicContact CD-CD2 4.36Å; K3-L53 HydrophobicContact CG-CD1 4.21Å; K3-L53 HydrophobicContact CG-CD2 4.23Å; A48-L53 HydrophobicContact CB-CB 4.35Å; A48-L53 WeakPolarHBondContact O-CA 3.11Å; A48-L53 WeakPolarHBondContact O-CB 3.4Å; A48-L53 PolarHBondContact O-N 2.67Å; M51-L53 VanDerWaalsContact C-N 3.32Å; M51-L53 HydrophobicContact CB-CD1 4.05Å; M51-L53 HydrophobicContact CB-CG 3.89Å; M51-L53 PolarHBondContact O-N 3.4Å; M51-L53 HydrophobicContact SD-CD1 4.32Å; L53-D55 PolarHBondContact O-N 3.07Å; L53-R56 HydrophobicContact CB-CB 4.35Å; L53-R56 PolarHBondContact O-N 3.28Å; L53-F57 PolarHBondContact O-N 2.79Å
54T98.2Very high98.7Very high89 Ų8937.9 Ų37.955%0.54621%0.205SC..Hα-helixtrans-51.2-45.7-171.8-48.50000114.1G52 R56 F57 E58G52-T54 VanDerWaalsContact C-N 3.34Å; G52-T54 PolarHBondContact O-N 3.01Å; T54-R56 VanDerWaalsContact C-N 3.3Å; T54-R56 PolarHBondContact O-N 3.36Å; T54-F57 WeakPolarHBondContact O-CB 3.15Å; T54-F57 PolarHBondContact O-N 3.45Å; T54-E58 HydrophobicContact CG2-CG 4.32Å; T54-E58 WeakPolarHBondContact O-CG 3.27Å; T54-E58 PolarHBondContact O-N 3.36Å
55D98.5Very high98.6Very high133 Ų13344.8 Ų44.871%0.71123%0.234SC*.Hα-helixtrans-61.7-38.5-178.9-61.9-25.5000112.7L53 A59L53-D55 PolarHBondContact O-N 3.07Å; D55-A59 WeakPolarHBondContact O-CB 3.38Å; D55-A59 PolarHBondContact O-N 3.06Å; D55-A59 VanDerWaalsContact O-N 3.09Å
56R98.5Very high98.6Very high45 Ų4550.1 Ų50.117%0.1726%0.26CS..Hα-helixtrans-73.4-39.7178.4-69.4174.4-179.768.22.1110.4W6 D7 A48 L53 T54 A59 G60W6-R56 VanDerWaalsContact CD1-CD 3.46Å; W6-R56 HydrophobicContact CD2-CB 4.44Å; W6-R56 HydrophobicContact CG-CG 4.28Å; W6-R56 HydrophobicContact CZ2-CB 4.16Å; W6-R56 WeakPolarHBondContact CZ2-O 3.38Å; D7-R56 IonicContact OD1-CZ 3.61Å; D7-R56 IonicContact OD1-NE 3.83Å; D7-R56 PolarHBondContact OD1-NE 3.38Å; D7-R56 IonicContact OD1-NH2 2.78Å; D7-R56 PolarHBondContact OD1-NH2 3.33Å; D7-R56 IonicContact OD2-CZ 3.66Å; D7-R56 IonicContact OD2-NE 3.8Å; D7-R56 IonicContact OD2-NH2 3.56Å; D7-R56 PolarHBondContact OD2-NH2 3.31Å; A48-R56 HydrophobicContact CB-CB 4.44Å; L53-R56 HydrophobicContact CB-CB 4.35Å; L53-R56 PolarHBondContact O-N 3.28Å; T54-R56 VanDerWaalsContact C-N 3.3Å; T54-R56 PolarHBondContact O-N 3.36Å; R56-A59 PolarHBondContact O-N 3.05Å; R56-G60 PolarHBondContact O-N 3.17Å
57F98.9Very high98.6Very high5 Ų556.2 Ų56.22%0.02229%0.286CS..Hα-helixtrans-58.6-50.7173.4-179.7-97.1000111.7L45 F49 L53 T54 A59 G60 K61 T97 F102L45-F57 HydrophobicContact CD1-CD2 3.8Å; L45-F57 HydrophobicContact CD1-CE2 4.33Å; L45-F57 HydrophobicContact CD1-CG 4.42Å; L45-F57 WeakPolarHBondContact CD1-O 3.3Å; L45-F57 HydrophobicContact CD2-CD2 4.4Å; L45-F57 HydrophobicContact CD2-CE2 4.11Å; L45-F57 HydrophobicContact CG-CD2 3.68Å; L45-F57 HydrophobicContact CG-CE2 3.75Å; L45-F57 WeakPolarHBondContact O-CD2 3.35Å; F49-F57 HydrophobicContact CB-CD2 3.69Å; F49-F57 HydrophobicContact CB-CE2 3.93Å; F49-F57 HydrophobicContact CB-CG 4.4Å; F49-F57 HydrophobicContact CD2-CD1 4.18Å; F49-F57 AromaticContact CD2-CD2 3.92Å; F49-F57 HydrophobicContact CD2-CD2 3.92Å; F49-F57 HydrophobicContact CD2-CE1 4.07Å; F49-F57 AromaticContact CD2-CE2 3.81Å; F49-F57 HydrophobicContact CD2-CE2 3.81Å; F49-F57 HydrophobicContact CD2-CG 4.11Å; F49-F57 AromaticContact CD2-CZ 3.9Å; F49-F57 HydrophobicContact CD2-CZ 3.9Å; F49-F57 HydrophobicContact CG-CD2 4.31Å; F49-F57 HydrophobicContact CG-CE2 4.28Å; L53-F57 PolarHBondContact O-N 2.79Å; T54-F57 WeakPolarHBondContact O-CB 3.15Å; T54-F57 PolarHBondContact O-N 3.45Å; F57-A59 PolarHBondContact O-N 3.44Å; F57-G60 PolarHBondContact O-N 2.83Å; F57-K61 HydrophobicContact CE1-CD 3.97Å; F57-K61 HydrophobicContact CZ-CD 4.43Å; F57-K61 VanDerWaalsContact O-CB 3.25Å; F57-K61 WeakPolarHBondContact O-CB 3.35Å; F57-K61 PolarHBondContact O-N 2.89Å; F57-T97 HydrophobicContact CE1-CG2 4.03Å; F57-T97 HydrophobicContact CE2-CG2 4.39Å; F57-T97 HydrophobicContact CZ-CG2 3.51Å; F57-F102 HydrophobicContact CE2-CZ 4.49Å; F57-F102 HydrophobicContact CZ-CE2 4.22Å; F57-F102 AromaticContact CZ-CZ 3.99Å; F57-F102 HydrophobicContact CZ-CZ 3.99Å
58E98.8Very high98.5Very high94 Ų9456.3 Ų56.344%0.43929%0.287SS..Hα-helixtrans-65.6-37.4-179.8-70.3-56.6139.800112.4T54 K62T54-E58 HydrophobicContact CG2-CG 4.32Å; T54-E58 WeakPolarHBondContact O-CG 3.27Å; T54-E58 PolarHBondContact O-N 3.36Å; E58-K62 VanDerWaalsContact O-CB 3.3Å; E58-K62 WeakPolarHBondContact O-CB 3.04Å; E58-K62 PolarHBondContact O-N 2.87Å
59A98.7Very high98.4Very high45 Ų4559.7 Ų59.737%0.37231%0.305SS..Hα-helixtrans-62.4-46174.200000112.3D55 R56 F57 K62 W63D55-A59 WeakPolarHBondContact O-CB 3.38Å; D55-A59 PolarHBondContact O-N 3.06Å; D55-A59 VanDerWaalsContact O-N 3.09Å; R56-A59 PolarHBondContact O-N 3.05Å; F57-A59 PolarHBondContact O-N 3.44Å; A59-K62 PolarHBondContact O-N 3.44Å; A59-W63 PolarHBondContact O-N 2.97Å; A59-W63 VanDerWaalsContact O-N 3.09Å
60G98.9Very high98.2Very high0 Ų056.2 Ų56.20%029%0.289CS..Hα-helixtrans-65.9-45.4176.900000112.4R56 F57 K62 W63 I64R56-G60 PolarHBondContact O-N 3.17Å; F57-G60 PolarHBondContact O-N 2.83Å; G60-K62 VanDerWaalsContact C-N 3.32Å; G60-K62 PolarHBondContact O-N 2.94Å; G60-W63 PolarHBondContact O-N 2.92Å; G60-W63 VanDerWaalsContact O-N 3.13Å; G60-I64 WeakPolarHBondContact O-CG1 3.45Å; G60-I64 PolarHBondContact O-N 3.35Å
61K98.8Very high97.8Very high41 Ų4160.1 Ų60.118%0.17832%0.323CS..Hα-helixtrans-56.1-45174.8178.8178.5179.9176.90112.1L45 F57 I64 K65 D99 M101 F102L45-K61 HydrophobicContact CD2-CB 4.46Å; F57-K61 HydrophobicContact CE1-CD 3.97Å; F57-K61 HydrophobicContact CZ-CD 4.43Å; F57-K61 VanDerWaalsContact O-CB 3.25Å; F57-K61 WeakPolarHBondContact O-CB 3.35Å; F57-K61 PolarHBondContact O-N 2.89Å; K61-I64 PolarHBondContact O-N 2.76Å; K61-K65 WeakPolarHBondContact O-CB 3.45Å; K61-K65 PolarHBondContact O-N 3.23Å; K61-D99 WeakPolarHBondContact CE-OD2 3.42Å; K61-D99 IonicContact NZ-OD2 3.32Å; K61-D99 PolarHBondContact NZ-OD2 3.14Å; K61-M101 HydrophobicContact CG-CE 3.94Å; K61-F102 HydrophobicContact CB-CZ 4.23Å; K61-F102 HydrophobicContact CD-CE2 4.42Å; K61-F102 HydrophobicContact CD-CZ 4.12Å; K61-F102 HydrophobicContact CG-CE1 4.49Å; K61-F102 HydrophobicContact CG-CZ 3.82Å
62K98.8Very high97.4Very high123 Ų12362.6 Ų62.654%0.53534%0.343SS..Hα-helixtrans-60-47.3175.4-178.3-178.5177.6-178.10111.3E58 A59 G60 I64 K65 E66E58-K62 VanDerWaalsContact O-CB 3.3Å; E58-K62 WeakPolarHBondContact O-CB 3.04Å; E58-K62 PolarHBondContact O-N 2.87Å; A59-K62 PolarHBondContact O-N 3.44Å; G60-K62 VanDerWaalsContact C-N 3.32Å; G60-K62 PolarHBondContact O-N 2.94Å; K62-I64 PolarHBondContact O-N 3.07Å; K62-K65 PolarHBondContact O-N 3.09Å; K62-E66 WeakPolarHBondContact CE-OE1 3.44Å; K62-E66 HydrophobicContact CG-CG 4.48Å; K62-E66 WeakPolarHBondContact CG-OE1 3.3Å; K62-E66 WeakPolarHBondContact O-CB 3.09Å; K62-E66 WeakPolarHBondContact O-CG 3.29Å; K62-E66 PolarHBondContact O-N 3.45Å
63W98.7Very high97.2Very high28 Ų2860.3 Ų60.311%0.10632%0.319CS..Hα-helixtrans-61.1-45.2178.7-173.495.8000111.8W14 G15 I41 A59 G60 K65 E66 K67 L68W14-W63 AromaticContact CD1-CD1 3.82Å; W14-W63 AromaticContact CE2-CD1 3.98Å; W14-W63 HydrophobicContact CZ2-CB 3.89Å; W14-W63 HydrophobicContact CZ2-CG 4.3Å; W14-W63 AromaticContact NE1-CD1 3.29Å; W14-W63 VanDerWaalsContact NE1-CD1 3.29Å; W14-W63 AromaticContact NE1-CG 3.92Å; G15-W63 VanDerWaalsContact CA-CZ2 3.42Å; I41-W63 HydrophobicContact CB-CE3 4.4Å; I41-W63 HydrophobicContact CD1-CB 4.25Å; I41-W63 HydrophobicContact CD1-CD2 3.43Å; I41-W63 VanDerWaalsContact CD1-CD2 3.43Å; I41-W63 HydrophobicContact CD1-CE3 3.7Å; I41-W63 HydrophobicContact CD1-CG 3.67Å; I41-W63 HydrophobicContact CD1-CZ2 4.44Å; I41-W63 HydrophobicContact CD1-CZ3 4.33Å; I41-W63 HydrophobicContact CG2-CE3 4.24Å; A59-W63 PolarHBondContact O-N 2.97Å; A59-W63 VanDerWaalsContact O-N 3.09Å; G60-W63 PolarHBondContact O-N 2.92Å; G60-W63 VanDerWaalsContact O-N 3.13Å; W63-K65 VanDerWaalsContact C-N 3.34Å; W63-K65 PolarHBondContact O-N 3.25Å; W63-E66 PolarHBondContact O-N 3.18Å; W63-K67 HydrophobicContact CD2-CB 3.91Å; W63-K67 HydrophobicContact CD2-CG 4.49Å; W63-K67 HydrophobicContact CE3-CB 4.47Å; W63-K67 HydrophobicContact CG-CB 4.24Å; W63-K67 HydrophobicContact CG-CG 4.32Å; W63-K67 HydrophobicContact CH2-CB 4.4Å; W63-K67 HydrophobicContact CZ2-CB 3.87Å; W63-K67 WeakPolarHBondContact O-CA 3.45Å; W63-K67 VanDerWaalsContact O-CB 3.28Å; W63-K67 WeakPolarHBondContact O-CB 3.38Å; W63-K67 PolarHBondContact O-N 2.89Å; W63-L68 HydrophobicContact CZ3-CB 3.98Å; W63-L68 HydrophobicContact CZ3-CD1 4.22Å
64I98.8Very high96.9Very high1 Ų162.2 Ų62.21%0.00533%0.334CS..Hα-helixtrans-57.4-48.5177-70.7174.5000110.8I41 V42 L45 G60 K61 K62 E66 L68 L90 M101 F102 K105I41-I64 HydrophobicContact CG2-CD1 4.45Å; I41-I64 HydrophobicContact CG2-CG1 4.22Å; V42-I64 HydrophobicContact CG2-CD1 3.98Å; V42-I64 HydrophobicContact CG2-CG1 4.01Å; L45-I64 HydrophobicContact CD2-CD1 3.5Å; L45-I64 VanDerWaalsContact CD2-CD1 3.5Å; G60-I64 WeakPolarHBondContact O-CG1 3.45Å; G60-I64 PolarHBondContact O-N 3.35Å; K61-I64 PolarHBondContact O-N 2.76Å; K62-I64 PolarHBondContact O-N 3.07Å; I64-E66 VanDerWaalsContact C-N 3.32Å; I64-E66 PolarHBondContact O-N 2.8Å; I64-L68 HydrophobicContact CG2-CB 4.3Å; I64-L68 HydrophobicContact CG2-CD2 3.99Å; I64-L68 WeakPolarHBondContact O-CB 3.44Å; I64-L68 PolarHBondContact O-N 2.89Å; I64-L90 HydrophobicContact CD1-CD2 4.06Å; I64-L90 HydrophobicContact CG2-CD2 3.79Å; I64-M101 HydrophobicContact CB-CE 4.5Å; I64-M101 HydrophobicContact CG2-CE 4.04Å; I64-M101 HydrophobicContact CG2-SD 3.9Å; I64-F102 HydrophobicContact CD1-CE1 4.24Å; I64-K105 HydrophobicContact CG2-CB 4.42Å; I64-K105 HydrophobicContact CG2-CG 3.97Å; I64-K105 WeakPolarHBondContact O-CE 3.49Å
65K98.5Very high96.6Very high144 Ų14459.3 Ų59.363%0.62632%0.322SS*.Hα-helixtrans-59.2-42.4179.5-176.9179.8178.5-179.40112.3K61 K62 W63 M101K61-K65 WeakPolarHBondContact O-CB 3.45Å; K61-K65 PolarHBondContact O-N 3.23Å; K62-K65 PolarHBondContact O-N 3.09Å; W63-K65 VanDerWaalsContact C-N 3.34Å; W63-K65 PolarHBondContact O-N 3.25Å; K65-M101 HydrophobicContact CB-CE 4.25Å; K65-M101 HydrophobicContact CB-CG 4.33Å; K65-M101 HydrophobicContact CB-SD 4.18Å; K65-M101 HydrophobicContact CG-CG 4.24Å
66E98.2Very high96.4Very high113 Ų11354.8 Ų54.853%0.52830%0.301SS..Hα-helixtrans-92.7-25.1-170.6-68.2177.6-17500114.4K62 W63 I64K62-E66 WeakPolarHBondContact CE-OE1 3.44Å; K62-E66 HydrophobicContact CG-CG 4.48Å; K62-E66 WeakPolarHBondContact CG-OE1 3.3Å; K62-E66 WeakPolarHBondContact O-CB 3.09Å; K62-E66 WeakPolarHBondContact O-CG 3.29Å; K62-E66 PolarHBondContact O-N 3.45Å; W63-E66 PolarHBondContact O-N 3.18Å; I64-E66 VanDerWaalsContact C-N 3.32Å; I64-E66 PolarHBondContact O-N 2.8Å
67K98Very high96.3Very high127 Ų12752.7 Ų52.755%0.55229%0.293SS*.Hα-helixtrans-131-26.4-164-55.5-62.7174.2-169.80115W63 N69W63-K67 HydrophobicContact CD2-CB 3.91Å; W63-K67 HydrophobicContact CD2-CG 4.49Å; W63-K67 HydrophobicContact CE3-CB 4.47Å; W63-K67 HydrophobicContact CG-CB 4.24Å; W63-K67 HydrophobicContact CG-CG 4.32Å; W63-K67 HydrophobicContact CH2-CB 4.4Å; W63-K67 HydrophobicContact CZ2-CB 3.87Å; W63-K67 WeakPolarHBondContact O-CA 3.45Å; W63-K67 VanDerWaalsContact O-CB 3.28Å; W63-K67 WeakPolarHBondContact O-CB 3.38Å; W63-K67 PolarHBondContact O-N 2.89Å; K67-N69 PolarHBondContact O-N 2.76Å; K67-N69 VanDerWaalsContact O-N 3.14Å
68L98.1Very high96.2Very high3 Ų352.5 Ų52.52%0.01629%0.292CS..  trans-67.6115.9179.3-177.864.4000109.9L37 V42 W63 I64 F70 Y86 L90 K105L37-L68 WeakPolarHBondContact O-CD1 3.24Å; V42-L68 HydrophobicContact CG2-CD1 4.41Å; V42-L68 HydrophobicContact CG2-CD2 4.08Å; W63-L68 HydrophobicContact CZ3-CB 3.98Å; W63-L68 HydrophobicContact CZ3-CD1 4.22Å; I64-L68 HydrophobicContact CG2-CB 4.3Å; I64-L68 HydrophobicContact CG2-CD2 3.99Å; I64-L68 WeakPolarHBondContact O-CB 3.44Å; I64-L68 PolarHBondContact O-N 2.89Å; L68-F70 HydrophobicContact CD1-CD2 4.12Å; L68-F70 HydrophobicContact CD1-CE2 4.02Å; L68-Y86 HydrophobicContact CD1-CD1 4.41Å; L68-Y86 HydrophobicContact CD1-CE1 4.27Å; L68-L90 HydrophobicContact CD2-CD1 4.04Å; L68-L90 HydrophobicContact CD2-CD2 4.26Å; L68-K105 HydrophobicContact CD2-CB 4.44Å; L68-K105 HydrophobicContact CD2-CD 4.46Å; L68-K105 PolarHBondContact O-NZ 3.34Å
69N95.6Very high96.2Very high71 Ų7148.2 Ų48.238%0.3827%0.272SS..  trans-150.198-179.7-179.25.7000111.4K67 A71 S72K67-N69 PolarHBondContact O-N 2.76Å; K67-N69 VanDerWaalsContact O-N 3.14Å; N69-A71 VanDerWaalsContact C-N 3.27Å; N69-A71 PolarHBondContact O-N 3.49Å; N69-A71 WeakPolarHBondContact OD1-CB 3.41Å; N69-A71 PolarHBondContact OD1-N 3.45Å; N69-S72 PolarHBondContact O-N 3.44Å; N69-S72 PolarHBondContact O-OG 3.21Å
70F94.1Very high96.2Very high3 Ų347.2 Ų47.21%0.01326%0.259CS..G310 helixtrans-66.3-25.8178.2-96.5-119.2000113.5L37 L68 S72 A73 L77 Y86 V109 A112 M130L37-F70 HydrophobicContact CB-CE2 4.45Å; L37-F70 HydrophobicContact CD1-CD2 4.37Å; L37-F70 HydrophobicContact CD1-CE1 4.32Å; L37-F70 HydrophobicContact CD1-CE2 4.06Å; L37-F70 HydrophobicContact CD1-CZ 4.03Å; L37-F70 HydrophobicContact CD2-CD2 3.86Å; L37-F70 HydrophobicContact CD2-CE2 4.11Å; L37-F70 HydrophobicContact CD2-CG 4.44Å; L37-F70 HydrophobicContact CG-CE2 4.43Å; L68-F70 HydrophobicContact CD1-CD2 4.12Å; L68-F70 HydrophobicContact CD1-CE2 4.02Å; F70-S72 PolarHBondContact O-N 3.4Å; F70-S72 VanDerWaalsContact O-N 3.17Å; F70-A73 VanDerWaalsContact O-CB 3.27Å; F70-A73 WeakPolarHBondContact O-CB 3.45Å; F70-A73 PolarHBondContact O-N 2.94Å; F70-L77 HydrophobicContact CD1-CD1 3.92Å; F70-L77 HydrophobicContact CE1-CD1 3.79Å; F70-Y86 AromaticContact CE2-CD1 3.66Å; F70-Y86 HydrophobicContact CE2-CD1 3.66Å; F70-Y86 HydrophobicContact CE2-CD2 4.34Å; F70-Y86 AromaticContact CE2-CE1 3.83Å; F70-Y86 HydrophobicContact CE2-CE1 3.83Å; F70-Y86 HydrophobicContact CE2-CE2 4.42Å; F70-Y86 AromaticContact CE2-CG 3.91Å; F70-Y86 HydrophobicContact CE2-CG 3.91Å; F70-Y86 AromaticContact CZ-CD1 3.87Å; F70-Y86 HydrophobicContact CZ-CD1 3.87Å; F70-Y86 AromaticContact CZ-CD2 3.69Å; F70-Y86 HydrophobicContact CZ-CD2 3.69Å; F70-Y86 HydrophobicContact CZ-CE1 4.08Å; F70-Y86 AromaticContact CZ-CE2 3.84Å; F70-Y86 HydrophobicContact CZ-CE2 3.84Å; F70-Y86 AromaticContact CZ-CG 3.66Å; F70-Y86 HydrophobicContact CZ-CG 3.66Å; F70-V109 HydrophobicContact CD1-CB 4.48Å; F70-V109 HydrophobicContact CD1-CG1 3.92Å; F70-V109 HydrophobicContact CD1-CG2 4.38Å; F70-V109 HydrophobicContact CD2-CB 4.46Å; F70-V109 HydrophobicContact CD2-CG1 4.44Å; F70-V109 HydrophobicContact CD2-CG2 3.55Å; F70-V109 HydrophobicContact CE1-CG1 3.65Å; F70-V109 HydrophobicContact CE1-CG2 4.47Å; F70-V109 HydrophobicContact CE2-CG1 4.18Å; F70-V109 HydrophobicContact CE2-CG2 3.64Å; F70-V109 HydrophobicContact CG-CB 4.42Å; F70-V109 HydrophobicContact CG-CG1 4.31Å; F70-V109 HydrophobicContact CG-CG2 3.93Å; F70-V109 HydrophobicContact CZ-CG1 3.77Å; F70-V109 HydrophobicContact CZ-CG2 4.12Å; F70-A112 HydrophobicContact CB-CB 4.24Å; F70-M130 HydrophobicContact CD1-CE 4.45Å; F70-M130 VanDerWaalsContact O-CE 3.3Å; F70-M130 WeakPolarHBondContact O-CE 3.4Å
71A89.6Confident96.1Very high90 Ų9049 Ų4974%0.74427%0.268SS*.G310 helixtrans-67.2-15.5176.400000113.1N69N69-A71 VanDerWaalsContact C-N 3.27Å; N69-A71 PolarHBondContact O-N 3.49Å; N69-A71 WeakPolarHBondContact OD1-CB 3.41Å; N69-A71 PolarHBondContact OD1-N 3.45Å
72S90.8Very high96.1Very high84 Ų8447 Ų4759%0.58726%0.259SS*.G310 helixtrans-89.9-5.7174.473.60000114N69 F70N69-S72 PolarHBondContact O-N 3.44Å; N69-S72 PolarHBondContact O-OG 3.21Å; F70-S72 PolarHBondContact O-N 3.4Å; F70-S72 VanDerWaalsContact O-N 3.17Å
73A93.9Very high96.1Very high8 Ų841.2 Ų41.27%0.06623%0.234CC..  trans-69.9152.9-18000000111.6N35 L37 F70 L77 M130N35-A73 WeakPolarHBondContact OD1-CA 3.15Å; L37-A73 HydrophobicContact CD1-CB 4.07Å; L37-A73 HydrophobicContact CD2-CB 4.39Å; F70-A73 VanDerWaalsContact O-CB 3.27Å; F70-A73 WeakPolarHBondContact O-CB 3.45Å; F70-A73 PolarHBondContact O-N 2.94Å; A73-L77 HydrophobicContact CB-CD1 3.93Å; A73-M130 HydrophobicContact CB-CB 4.44Å; A73-M130 HydrophobicContact CB-CE 4.2Å; A73-M130 HydrophobicContact CB-CG 3.98Å; A73-M130 WeakPolarHBondContact O-CB 3.14Å
74S92.5Very high96.1Very high60 Ų6039.9 Ų39.942%0.4223%0.229SC..  trans-126.1155-179.553.10000111.4N35 E131N35-S74 PolarHBondContact ND2-O 3.18Å; N35-S74 PolarHBondContact OD1-N 3.29Å; N35-S74 PolarHBondContact OD1-O 3.45Å; N35-S74 PolarHBondContact OD1-OG 2.77Å; S74-E131 WeakPolarHBondContact CA-OE1 2.89Å; S74-E131 WeakPolarHBondContact CB-OE1 3.32Å
75G92.8Very high96.1Very high28 Ų2840.6 Ų40.629%0.28923%0.232SC..SBendtrans69.2-151.7-179.200000112.9M130 E131G75-M130 WeakPolarHBondContact O-CG 3.48Å; G75-M130 PolarHBondContact O-N 2.93Å; G75-E131 VanDerWaalsContact N-CD 3.28Å; G75-E131 PolarHBondContact N-OE1 3.34Å; G75-E131 PolarHBondContact N-OE2 3.29Å
76S94.1Very high96.1Very high38 Ų3833.8 Ų33.827%0.26620%0.202SC..EExtended strand (participates in β ladder)trans-95.4132.2-175-450000111.5I128 E129 K136S76-I128 CarbonylContact C-O 3.5Å; S76-I128 VanDerWaalsContact CA-O 3.27Å; S76-I128 WeakPolarHBondContact CA-O 2.9Å; S76-E129 PolarHBondContact N-OE2 3.03Å; S76-E129 PolarHBondContact OG-OE1 3.48Å; S76-E129 PolarHBondContact OG-OE2 3.38Å; S76-K136 WeakPolarHBondContact OG-CE 3.48Å; S76-K136 PolarHBondContact OG-NZ 3.12Å
77L95.7Very high96.1Very high0 Ų028.4 Ų28.40%018%0.177CC..EExtended strand (participates in β ladder)trans-113.4147.1168.5-54.7-175.9000110.3F32 L37 F70 A73 L127 I128 M130F32-L77 HydrophobicContact CD1-CD2 4.21Å; L37-L77 HydrophobicContact CD1-CD1 3.98Å; L37-L77 HydrophobicContact CD1-CD2 4.38Å; F70-L77 HydrophobicContact CD1-CD1 3.92Å; F70-L77 HydrophobicContact CE1-CD1 3.79Å; A73-L77 HydrophobicContact CB-CD1 3.93Å; L77-L127 CarbonylContact O-C 3.57Å; L77-L127 VanDerWaalsContact O-CA 3.27Å; L77-L127 WeakPolarHBondContact O-CA 3.5Å; L77-I128 HydrophobicContact CB-CG2 4.06Å; L77-I128 PolarHBondContact N-O 3.44Å; L77-I128 PolarHBondContact O-N 2.8Å; L77-M130 HydrophobicContact CB-SD 4.28Å; L77-M130 HydrophobicContact CD1-CE 3.99Å; L77-M130 HydrophobicContact CD1-CG 3.78Å; L77-M130 HydrophobicContact CD1-SD 3.54Å; L77-M130 VanDerWaalsContact CD1-SD 3.54Å; L77-M130 HydrophobicContact CG-CG 3.69Å; L77-M130 HydrophobicContact CG-SD 3.82Å
78S97.1Very high96.2Very high2 Ų222.3 Ų22.31%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-75.2123172.9169.80000110.5F80 E81 S82S78-F80 VanDerWaalsContact C-N 3.28Å; S78-F80 PolarHBondContact O-N 2.72Å; S78-F80 PolarHBondContact OG-N 3.33Å; S78-E81 WeakPolarHBondContact OG-CG 3.32Å; S78-E81 PolarHBondContact OG-N 2.97Å; S78-E81 VanDerWaalsContact OG-N 3.14Å; S78-S82 WeakPolarHBondContact O-CB 3.44Å; S78-S82 PolarHBondContact O-N 3.46Å; S78-S82 PolarHBondContact O-OG 3.35Å
79V98.2Very high96.2Very high3 Ų322.2 Ų22.22%0.01815%0.15CC..Hα-helixtrans-63.6-40.5176.9176.30000110.3T83 L113 A116 F117 Y125 A126 I128 L154V79-T83 WeakPolarHBondContact O-CB 3.44Å; V79-T83 PolarHBondContact O-N 3.47Å; V79-T83 VanDerWaalsContact O-N 3.08Å; V79-T83 PolarHBondContact O-OG1 3.29Å; V79-L113 HydrophobicContact CG1-CB 4.49Å; V79-A116 HydrophobicContact CG2-CB 3.5Å; V79-F117 HydrophobicContact CG1-CE2 4.47Å; V79-Y125 WeakPolarHBondContact CG2-O 3.45Å; V79-A126 PolarHBondContact N-O 3.03Å; V79-I128 HydrophobicContact CG2-CB 4.3Å; V79-I128 HydrophobicContact CG2-CG2 4.31Å; V79-L154 HydrophobicContact CG1-CD1 4.28Å
80F98.5Very high96.4Very high24 Ų2418.8 Ų18.811%0.10513%0.132CC..Hα-helixtrans-61.7-61.6177.9175.3-130000111.3S78 S82 T83 I84 A149 E150 T153 L154S78-F80 VanDerWaalsContact C-N 3.28Å; S78-F80 PolarHBondContact O-N 2.72Å; S78-F80 PolarHBondContact OG-N 3.33Å; F80-S82 VanDerWaalsContact C-N 3.3Å; F80-S82 PolarHBondContact O-N 3.04Å; F80-T83 WeakPolarHBondContact O-CB 3.23Å; F80-T83 PolarHBondContact O-N 2.68Å; F80-I84 HydrophobicContact CD1-CD1 4.31Å; F80-I84 HydrophobicContact CD2-CD1 4.14Å; F80-I84 HydrophobicContact CD2-CG2 3.89Å; F80-I84 HydrophobicContact CE1-CD1 3.84Å; F80-I84 HydrophobicContact CE2-CD1 3.6Å; F80-I84 HydrophobicContact CE2-CG1 4.35Å; F80-I84 HydrophobicContact CE2-CG2 3.62Å; F80-I84 HydrophobicContact CG-CD1 4.46Å; F80-I84 HydrophobicContact CZ-CD1 3.47Å; F80-I84 VanDerWaalsContact CZ-CD1 3.47Å; F80-I84 WeakPolarHBondContact O-CG1 3.36Å; F80-I84 PolarHBondContact O-N 2.9Å; F80-A149 WeakPolarHBondContact CE2-O 3.41Å; F80-E150 HydrophobicContact CB-CB 3.79Å; F80-E150 HydrophobicContact CB-CG 3.9Å; F80-E150 HydrophobicContact CD1-CB 4.45Å; F80-E150 HydrophobicContact CD1-CG 3.88Å; F80-E150 HydrophobicContact CG-CB 4.07Å; F80-E150 HydrophobicContact CG-CG 4Å; F80-T153 HydrophobicContact CE2-CG2 3.57Å; F80-T153 HydrophobicContact CZ-CG2 4.29Å; F80-L154 HydrophobicContact CD2-CD2 4.43Å
81E97.7Very high96.6Very high38 Ų3818.7 Ų18.718%0.17813%0.131CC..Hα-helixtrans-63.2-36.6-176.6-61.2-77.7174.400111.6V31 F32 S78 T83 R85V31-E81 HydrophobicContact CG2-CB 4.17Å; V31-E81 HydrophobicContact CG2-CG 3.99Å; F32-E81 HydrophobicContact CE1-CB 4.07Å; F32-E81 HydrophobicContact CE2-CB 4.26Å; F32-E81 HydrophobicContact CZ-CB 3.49Å; F32-E81 VanDerWaalsContact CZ-CB 3.49Å; S78-E81 WeakPolarHBondContact OG-CG 3.32Å; S78-E81 PolarHBondContact OG-N 2.97Å; S78-E81 VanDerWaalsContact OG-N 3.14Å; E81-T83 VanDerWaalsContact C-N 3.3Å; E81-T83 PolarHBondContact O-N 3.23Å; E81-R85 VanDerWaalsContact O-CB 3.3Å; E81-R85 WeakPolarHBondContact O-CB 3.31Å; E81-R85 WeakPolarHBondContact O-CG 3.47Å; E81-R85 PolarHBondContact O-N 2.96Å; E81-R85 IonicContact OE2-CZ 2.86Å; E81-R85 IonicContact OE2-NE 2.81Å; E81-R85 PolarHBondContact OE2-NE 2.92Å; E81-R85 IonicContact OE2-NH2 3.99Å
82S98.4Very high97Very high0 Ų014.4 Ų14.40%010%0.096CC..Iπ-helixtrans-63.6-36.2173.7-730000112.5F32 S78 F80 Y86 V87F32-S82 WeakPolarHBondContact CE1-OG 3.48Å; S78-S82 WeakPolarHBondContact O-CB 3.44Å; S78-S82 PolarHBondContact O-N 3.46Å; S78-S82 PolarHBondContact O-OG 3.35Å; F80-S82 VanDerWaalsContact C-N 3.3Å; F80-S82 PolarHBondContact O-N 3.04Å; S82-Y86 VanDerWaalsContact O-CB 3.28Å; S82-Y86 WeakPolarHBondContact O-CB 3.38Å; S82-Y86 PolarHBondContact O-N 3.18Å; S82-Y86 VanDerWaalsContact O-N 3.15Å; S82-V87 PolarHBondContact O-N 3.35Å
83T98.8Very high97.4Very high0 Ų010.4 Ų10.40%07%0.068CC..Iπ-helixtrans-73.4-58.2179.8-58.90000110.6V79 F80 E81 R85 V87 A88 L113 L154 E157 F158V79-T83 WeakPolarHBondContact O-CB 3.44Å; V79-T83 PolarHBondContact O-N 3.47Å; V79-T83 VanDerWaalsContact O-N 3.08Å; V79-T83 PolarHBondContact O-OG1 3.29Å; F80-T83 WeakPolarHBondContact O-CB 3.23Å; F80-T83 PolarHBondContact O-N 2.68Å; E81-T83 VanDerWaalsContact C-N 3.3Å; E81-T83 PolarHBondContact O-N 3.23Å; T83-R85 VanDerWaalsContact C-N 3.27Å; T83-R85 PolarHBondContact O-N 2.91Å; T83-V87 WeakPolarHBondContact O-CB 3.26Å; T83-V87 PolarHBondContact O-N 3.5Å; T83-A88 PolarHBondContact O-N 2.92Å; T83-L113 WeakPolarHBondContact OG1-CD1 3.34Å; T83-L154 HydrophobicContact CG2-CB 4.23Å; T83-L154 HydrophobicContact CG2-CD2 3.77Å; T83-E157 HydrophobicContact CG2-CB 3.63Å; T83-E157 HydrophobicContact CG2-CG 3.76Å; T83-F158 HydrophobicContact CG2-CD2 3.8Å; T83-F158 HydrophobicContact CG2-CE2 3.61Å
84I98.7Very high97.6Very high0 Ų010.3 Ų10.30%07%0.066CC..Iπ-helixtrans-70.4-19.3-171.566.5175.1000114.2F80 A88 T153 Y219 N424 T425 E426 H428F80-I84 HydrophobicContact CD1-CD1 4.31Å; F80-I84 HydrophobicContact CD2-CD1 4.14Å; F80-I84 HydrophobicContact CD2-CG2 3.89Å; F80-I84 HydrophobicContact CE1-CD1 3.84Å; F80-I84 HydrophobicContact CE2-CD1 3.6Å; F80-I84 HydrophobicContact CE2-CG1 4.35Å; F80-I84 HydrophobicContact CE2-CG2 3.62Å; F80-I84 HydrophobicContact CG-CD1 4.46Å; F80-I84 HydrophobicContact CZ-CD1 3.47Å; F80-I84 VanDerWaalsContact CZ-CD1 3.47Å; F80-I84 WeakPolarHBondContact O-CG1 3.36Å; F80-I84 PolarHBondContact O-N 2.9Å; I84-A88 WeakPolarHBondContact O-CB 3.35Å; I84-T153 HydrophobicContact CG2-CG2 4.2Å; I84-T153 VanDerWaalsContact CG2-O 3.32Å; I84-T153 WeakPolarHBondContact CG2-O 3.44Å; I84-Y219 WeakPolarHBondContact CG2-OH 3.27Å; I84-N424 PolarHBondContact O-ND2 3.19Å; I84-T425 HydrophobicContact CB-CG2 4.04Å; I84-T425 HydrophobicContact CD1-CG2 3.78Å; I84-T425 HydrophobicContact CG1-CG2 4.47Å; I84-T425 HydrophobicContact CG2-CG2 4.05Å; I84-E426 HydrophobicContact CB-CG 3.89Å; I84-E426 HydrophobicContact CD1-CG 3.64Å; I84-E426 WeakPolarHBondContact CD1-OE1 3.13Å; I84-E426 HydrophobicContact CG1-CG 3.62Å; I84-E426 WeakPolarHBondContact O-CB 3.49Å; I84-E426 WeakPolarHBondContact O-CG 3.33Å; I84-H428 PolarHBondContact O-CD2 3.05Å; I84-H428 VanDerWaalsContact O-CD2 3.22Å
85R98.6Very high97.7Very high17 Ų177.8 Ų7.86%0.0645%0.049CC..Iπ-helixtrans-104-54.2177-56.8-178.3179.7-78-13.1112.9L39 D43 E81 T83 G89 S396 E426 H428L39-R85 HydrophobicContact CD1-CB 3.79Å; L39-R85 HydrophobicContact CD1-CG 4.37Å; D43-R85 IonicContact OD2-CZ 2.71Å; D43-R85 IonicContact OD2-NH1 2.68Å; D43-R85 PolarHBondContact OD2-NH1 3.36Å; E81-R85 VanDerWaalsContact O-CB 3.3Å; E81-R85 WeakPolarHBondContact O-CB 3.31Å; E81-R85 WeakPolarHBondContact O-CG 3.47Å; E81-R85 PolarHBondContact O-N 2.96Å; E81-R85 IonicContact OE2-CZ 2.86Å; E81-R85 IonicContact OE2-NE 2.81Å; E81-R85 PolarHBondContact OE2-NE 2.92Å; E81-R85 IonicContact OE2-NH2 3.99Å; T83-R85 VanDerWaalsContact C-N 3.27Å; T83-R85 PolarHBondContact O-N 2.91Å; R85-G89 WeakPolarHBondContact O-CA 3.39Å; R85-G89 PolarHBondContact O-N 3.5Å; R85-S396 PolarHBondContact NH1-OG 3.1Å; R85-E426 HydrophobicContact CG-CG 3.9Å; R85-E426 IonicContact CZ-OE1 3.09Å; R85-E426 IonicContact CZ-OE2 2.66Å; R85-E426 IonicContact NE-OE1 3.59Å; R85-E426 IonicContact NE-OE2 3.88Å; R85-E426 IonicContact NH1-OE1 2.9Å; R85-E426 IonicContact NH1-OE2 3.9Å; R85-E426 PolarHBondContact NH1-OE2 3.19Å; R85-E426 IonicContact NH2-OE1 2.72Å; R85-E426 PolarHBondContact NH2-OE1 3.19Å; R85-E426 IonicContact NH2-OE2 2.7Å; R85-E426 PolarHBondContact NH2-OE2 2.98Å; R85-H428 PolarHBondContact O-NE2 3.08Å
86Y98.7Very high97.9Very high0 Ų07.8 Ų7.80%04%0.042CC..Iπ-helixtrans-80.1-55.7-175.1-69-93.4000112.4N17 F32 L37 L39 V42 L68 F70 S82 A88 G89 L90N17-Y86 PolarHBondContact OD1-OH 3.44Å; F32-Y86 HydrophobicContact CD1-CE2 4.19Å; F32-Y86 HydrophobicContact CD2-CE2 4.45Å; F32-Y86 HydrophobicContact CE1-CD2 4.37Å; F32-Y86 AromaticContact CE1-CE2 3.75Å; F32-Y86 HydrophobicContact CE1-CE2 3.75Å; F32-Y86 HydrophobicContact CE2-CE2 4.02Å; F32-Y86 HydrophobicContact CZ-CD2 4.19Å; F32-Y86 AromaticContact CZ-CE2 3.62Å; F32-Y86 HydrophobicContact CZ-CE2 3.62Å; L37-Y86 HydrophobicContact CB-CE1 4.12Å; L37-Y86 WeakPolarHBondContact CB-OH 3.38Å; L37-Y86 WeakPolarHBondContact O-CE1 3.36Å; L39-Y86 WeakPolarHBondContact CA-OH 3.33Å; L39-Y86 HydrophobicContact CB-CE2 4.45Å; L39-Y86 VanDerWaalsContact CB-OH 3.29Å; L39-Y86 WeakPolarHBondContact CB-OH 3.27Å; L39-Y86 HydrophobicContact CD1-CD2 3.95Å; L39-Y86 HydrophobicContact CD1-CE1 4.31Å; L39-Y86 HydrophobicContact CD1-CE2 3.41Å; L39-Y86 VanDerWaalsContact CD1-CE2 3.41Å; L39-Y86 HydrophobicContact CG-CE2 4.49Å; L39-Y86 PolarHBondContact N-OH 2.92Å; V42-Y86 HydrophobicContact CB-CD1 3.94Å; V42-Y86 HydrophobicContact CB-CE1 4.25Å; V42-Y86 HydrophobicContact CG1-CD1 3.92Å; V42-Y86 HydrophobicContact CG1-CG 4.49Å; V42-Y86 HydrophobicContact CG2-CD1 3.88Å; V42-Y86 HydrophobicContact CG2-CE1 4.01Å; L68-Y86 HydrophobicContact CD1-CD1 4.41Å; L68-Y86 HydrophobicContact CD1-CE1 4.27Å; F70-Y86 AromaticContact CE2-CD1 3.66Å; F70-Y86 HydrophobicContact CE2-CD1 3.66Å; F70-Y86 HydrophobicContact CE2-CD2 4.34Å; F70-Y86 AromaticContact CE2-CE1 3.83Å; F70-Y86 HydrophobicContact CE2-CE1 3.83Å; F70-Y86 HydrophobicContact CE2-CE2 4.42Å; F70-Y86 AromaticContact CE2-CG 3.91Å; F70-Y86 HydrophobicContact CE2-CG 3.91Å; F70-Y86 AromaticContact CZ-CD1 3.87Å; F70-Y86 HydrophobicContact CZ-CD1 3.87Å; F70-Y86 AromaticContact CZ-CD2 3.69Å; F70-Y86 HydrophobicContact CZ-CD2 3.69Å; F70-Y86 HydrophobicContact CZ-CE1 4.08Å; F70-Y86 AromaticContact CZ-CE2 3.84Å; F70-Y86 HydrophobicContact CZ-CE2 3.84Å; F70-Y86 AromaticContact CZ-CG 3.66Å; F70-Y86 HydrophobicContact CZ-CG 3.66Å; S82-Y86 VanDerWaalsContact O-CB 3.28Å; S82-Y86 WeakPolarHBondContact O-CB 3.38Å; S82-Y86 PolarHBondContact O-N 3.18Å; S82-Y86 VanDerWaalsContact O-N 3.15Å; Y86-A88 VanDerWaalsContact C-N 3.29Å; Y86-A88 PolarHBondContact O-N 3.33Å; Y86-G89 PolarHBondContact O-N 2.71Å; Y86-L90 WeakPolarHBondContact O-CB 3.29Å; Y86-L90 VanDerWaalsContact O-CD1 3.31Å; Y86-L90 WeakPolarHBondContact O-CD1 3.33Å; Y86-L90 WeakPolarHBondContact O-CG 3.43Å; Y86-L90 PolarHBondContact O-N 3.33Å
87V98.9Very high98Very high0 Ų07.9 Ų7.90%04%0.041CC..Iπ-helixtrans-61.2-46.2-179.5-176.30000108.8S82 T83 L90 L91 A106 V109 A110 E157 L161S82-V87 PolarHBondContact O-N 3.35Å; T83-V87 WeakPolarHBondContact O-CB 3.26Å; T83-V87 PolarHBondContact O-N 3.5Å; V87-L90 PolarHBondContact O-N 2.99Å; V87-L91 HydrophobicContact CG1-CD1 3.8Å; V87-L91 HydrophobicContact CG1-CG 4.27Å; V87-L91 WeakPolarHBondContact O-CB 3.47Å; V87-L91 WeakPolarHBondContact O-CG 3.44Å; V87-L91 PolarHBondContact O-N 2.8Å; V87-A106 HydrophobicContact CG1-CB 4.27Å; V87-V109 HydrophobicContact CG2-CB 4.06Å; V87-V109 HydrophobicContact CG2-CG1 3.7Å; V87-A110 HydrophobicContact CG2-CB 4.35Å; V87-E157 HydrophobicContact CB-CB 4.31Å; V87-E157 HydrophobicContact CB-CG 4.43Å; V87-E157 HydrophobicContact CG1-CB 3.89Å; V87-E157 HydrophobicContact CG1-CG 4.43Å; V87-L161 HydrophobicContact CG1-CD2 4.46Å
88A98.9Very high98Very high0 Ų011.6 Ų11.60%06%0.057CC..Hα-helixtrans-61.2-51.3177.200000114T83 I84 Y86 L90 L91 S92 E157 N424 H428 F430T83-A88 PolarHBondContact O-N 2.92Å; I84-A88 WeakPolarHBondContact O-CB 3.35Å; Y86-A88 VanDerWaalsContact C-N 3.29Å; Y86-A88 PolarHBondContact O-N 3.33Å; A88-L90 VanDerWaalsContact C-N 3.3Å; A88-L90 PolarHBondContact O-N 2.83Å; A88-L91 PolarHBondContact O-N 2.7Å; A88-S92 VanDerWaalsContact O-CB 3.27Å; A88-S92 WeakPolarHBondContact O-CB 3.44Å; A88-S92 PolarHBondContact O-N 3.31Å; A88-E157 HydrophobicContact CB-CG 3.76Å; A88-N424 WeakPolarHBondContact CB-ND2 3.41Å; A88-H428 HydrophobicContact CB-CB 4.02Å; A88-H428 WeakPolarHBondContact CB-CD2 3.43Å; A88-F430 HydrophobicContact CB-CE2 4.08Å; A88-F430 HydrophobicContact CB-CZ 3.99Å
89G98.8Very high98Very high0 Ų013.4 Ų13.40%07%0.067CC..Hα-helixtrans-60.8-38.4179.900000113.1R85 Y86 C93 H428R85-G89 WeakPolarHBondContact O-CA 3.39Å; R85-G89 PolarHBondContact O-N 3.5Å; Y86-G89 PolarHBondContact O-N 2.71Å; G89-C93 WeakPolarHBondContact O-CB 3.42Å; G89-C93 PolarHBondContact O-N 3.43Å; G89-C93 PolarHBondContact O-SG 2.83Å; G89-H428 VanDerWaalsContact CA-CE1 3.4Å; G89-H428 WeakPolarHBondContact CA-CE1 3.36Å; G89-H428 WeakPolarHBondContact CA-ND1 3.21Å
90L98.9Very high97.9Very high0 Ų015.8 Ų15.80%08%0.082CC..Hα-helixtrans-66.4-48.2174.2-66.6166.9000111.3V42 I64 L68 Y86 V87 A88 S92 C93 Y94 F102 K105 A106 V109V42-L90 HydrophobicContact CG1-CD1 4.49Å; V42-L90 HydrophobicContact CG1-CD2 4.09Å; V42-L90 HydrophobicContact CG1-CG 3.83Å; I64-L90 HydrophobicContact CD1-CD2 4.06Å; I64-L90 HydrophobicContact CG2-CD2 3.79Å; L68-L90 HydrophobicContact CD2-CD1 4.04Å; L68-L90 HydrophobicContact CD2-CD2 4.26Å; Y86-L90 WeakPolarHBondContact O-CB 3.29Å; Y86-L90 VanDerWaalsContact O-CD1 3.31Å; Y86-L90 WeakPolarHBondContact O-CD1 3.33Å; Y86-L90 WeakPolarHBondContact O-CG 3.43Å; Y86-L90 PolarHBondContact O-N 3.33Å; V87-L90 PolarHBondContact O-N 2.99Å; A88-L90 VanDerWaalsContact C-N 3.3Å; A88-L90 PolarHBondContact O-N 2.83Å; L90-S92 VanDerWaalsContact C-N 3.33Å; L90-S92 PolarHBondContact O-N 3.11Å; L90-C93 WeakPolarHBondContact O-CB 3.4Å; L90-C93 PolarHBondContact O-N 2.96Å; L90-Y94 PolarHBondContact O-N 3.26Å; L90-F102 HydrophobicContact CD2-CD1 3.9Å; L90-F102 VanDerWaalsContact O-CB 3.3Å; L90-F102 WeakPolarHBondContact O-CB 3.49Å; L90-K105 HydrophobicContact CD1-CB 3.89Å; L90-K105 HydrophobicContact CD2-CB 4.03Å; L90-A106 HydrophobicContact CB-CB 3.9Å; L90-A106 HydrophobicContact CD1-CB 4.28Å; L90-V109 HydrophobicContact CD1-CG2 4.22Å
91L98.6Very high97.9Very high0 Ų015 Ų150%08%0.079CC..Hα-helixtrans-64.9-36.5179.3-71.9-179.5000113V87 A88 Y94 A95 A106 E157 Y160 L161 L164 F430V87-L91 HydrophobicContact CG1-CD1 3.8Å; V87-L91 HydrophobicContact CG1-CG 4.27Å; V87-L91 WeakPolarHBondContact O-CB 3.47Å; V87-L91 WeakPolarHBondContact O-CG 3.44Å; V87-L91 PolarHBondContact O-N 2.8Å; A88-L91 PolarHBondContact O-N 2.7Å; L91-Y94 WeakPolarHBondContact O-CB 3.38Å; L91-Y94 PolarHBondContact O-N 3.38Å; L91-A95 PolarHBondContact O-N 3.06Å; L91-A106 HydrophobicContact CD2-CB 3.9Å; L91-A106 HydrophobicContact CG-CB 3.99Å; L91-E157 WeakPolarHBondContact CD1-O 3.34Å; L91-Y160 HydrophobicContact CB-CD1 3.89Å; L91-Y160 HydrophobicContact CB-CE1 4.16Å; L91-Y160 HydrophobicContact CD1-CD1 4.02Å; L91-Y160 HydrophobicContact CD1-CG 4.48Å; L91-Y160 HydrophobicContact CD2-CD1 4.38Å; L91-Y160 HydrophobicContact CG-CD1 4.33Å; L91-L161 HydrophobicContact CD1-CB 4.14Å; L91-L161 HydrophobicContact CD2-CD1 3.97Å; L91-L164 HydrophobicContact CD2-CD1 3.77Å; L91-F430 HydrophobicContact CB-CE1 4.23Å; L91-F430 HydrophobicContact CB-CZ 4.43Å; L91-F430 HydrophobicContact CD1-CE1 4.16Å
92S98.5Very high97.9Very high0 Ų013.2 Ų13.20%07%0.071CC..Hα-helixtrans-60.1-49.8170.4166.80000110.7D46 A88 L90 Y94 A95 L96 P429D46-S92 WeakPolarHBondContact CB-OG 3.49Å; D46-S92 VanDerWaalsContact OD2-CB 3.31Å; D46-S92 WeakPolarHBondContact OD2-CB 3.37Å; D46-S92 PolarHBondContact OD2-OG 3.16Å; A88-S92 VanDerWaalsContact O-CB 3.27Å; A88-S92 WeakPolarHBondContact O-CB 3.44Å; A88-S92 PolarHBondContact O-N 3.31Å; L90-S92 VanDerWaalsContact C-N 3.33Å; L90-S92 PolarHBondContact O-N 3.11Å; S92-Y94 VanDerWaalsContact C-N 3.27Å; S92-Y94 PolarHBondContact O-N 2.63Å; S92-A95 WeakPolarHBondContact O-CA 3.35Å; S92-A95 WeakPolarHBondContact O-CB 3.2Å; S92-A95 PolarHBondContact O-N 3.05Å; S92-L96 VanDerWaalsContact O-CG 3.27Å; S92-L96 WeakPolarHBondContact O-CG 3.44Å; S92-L96 PolarHBondContact O-N 2.78Å; S92-P429 VanDerWaalsContact OG-CD 3.24Å; S92-P429 WeakPolarHBondContact OG-CD 3.27Å; S92-P429 WeakPolarHBondContact OG-CG 3.32Å
93C98.7Very high97.9Very high1 Ų113.2 Ų13.21%0.0077%0.071CC..Hα-helixtrans-57.9-37.7174.6-71.10000112.8G89 L90 L96 T97 F102G89-C93 WeakPolarHBondContact O-CB 3.42Å; G89-C93 PolarHBondContact O-N 3.43Å; G89-C93 PolarHBondContact O-SG 2.83Å; L90-C93 WeakPolarHBondContact O-CB 3.4Å; L90-C93 PolarHBondContact O-N 2.96Å; C93-L96 PolarHBondContact O-N 3.33Å; C93-T97 WeakPolarHBondContact O-CB 3.21Å; C93-T97 WeakPolarHBondContact O-CG2 3.1Å; C93-T97 PolarHBondContact O-N 2.91Å; C93-T97 PolarHBondContact O-OG1 3.1Å; C93-F102 HydrophobicContact CB-CB 4.47Å; C93-F102 HydrophobicContact CB-CD1 3.65Å; C93-F102 HydrophobicContact CB-CD2 3.76Å; C93-F102 HydrophobicContact CB-CE1 3.64Å; C93-F102 HydrophobicContact CB-CE2 3.77Å; C93-F102 HydrophobicContact CB-CG 3.71Å; C93-F102 HydrophobicContact CB-CZ 3.7Å
94Y97.8Very high97.9Very high5 Ų518.5 Ų18.52%0.029%0.091CC..Hα-helixtrans-63.2-47.6170.8170.2-98.2000111.8L90 L91 S92 L96 T97 K98 D99 V103 L164 F439L90-Y94 PolarHBondContact O-N 3.26Å; L91-Y94 WeakPolarHBondContact O-CB 3.38Å; L91-Y94 PolarHBondContact O-N 3.38Å; S92-Y94 VanDerWaalsContact C-N 3.27Å; S92-Y94 PolarHBondContact O-N 2.63Å; Y94-L96 PolarHBondContact O-N 3.43Å; Y94-T97 PolarHBondContact O-N 2.91Å; Y94-K98 HydrophobicContact CE1-CD 4.37Å; Y94-K98 VanDerWaalsContact O-CA 3.25Å; Y94-K98 WeakPolarHBondContact O-CA 3.27Å; Y94-K98 PolarHBondContact O-N 2.78Å; Y94-D99 WeakPolarHBondContact CD2-O 3.42Å; Y94-V103 HydrophobicContact CD1-CG2 3.87Å; Y94-V103 HydrophobicContact CD2-CG2 3.34Å; Y94-V103 HydrophobicContact CE1-CG2 4.3Å; Y94-V103 HydrophobicContact CE2-CG2 3.79Å; Y94-V103 HydrophobicContact CG-CG2 3.35Å; Y94-L164 HydrophobicContact CD1-CD1 3.42Å; Y94-L164 VanDerWaalsContact CD1-CD1 3.42Å; Y94-L164 HydrophobicContact CD1-CD2 4.16Å; Y94-L164 HydrophobicContact CD1-CG 4.42Å; Y94-L164 HydrophobicContact CE1-CD1 3.54Å; Y94-L164 HydrophobicContact CE1-CD2 3.37Å; Y94-L164 HydrophobicContact CE1-CG 4.07Å; Y94-L164 HydrophobicContact CG-CD1 4.28Å; Y94-F439 VanDerWaalsContact OH-CB 3.24Å; Y94-F439 WeakPolarHBondContact OH-CB 3.35Å; Y94-F439 PolarHBondContact OH-O 2.82Å
95A96.1Very high97.9Very high8 Ų819.8 Ų19.87%0.06610%0.096CC..Hα-helixtrans-57.4-35.4-179.600000112L91 S92 Y160 W421 P431L91-A95 PolarHBondContact O-N 3.06Å; S92-A95 WeakPolarHBondContact O-CA 3.35Å; S92-A95 WeakPolarHBondContact O-CB 3.2Å; S92-A95 PolarHBondContact O-N 3.05Å; A95-Y160 HydrophobicContact CB-CE1 4.36Å; A95-W421 HydrophobicContact CB-CH2 4.21Å; A95-W421 HydrophobicContact CB-CZ3 3.86Å; A95-P431 HydrophobicContact CB-CG 4.23Å
96L96.3Very high97.9Very high27 Ų2719 Ų1914%0.1419%0.093CC..Hα-helixtrans-78.1-35.8179.6-64.4177.9000114.3D46 F49 S92 C93 Y94 W416 W421D46-L96 HydrophobicContact CB-CD1 3.82Å; F49-L96 HydrophobicContact CB-CD1 4.2Å; F49-L96 HydrophobicContact CD1-CB 3.95Å; F49-L96 HydrophobicContact CD1-CD1 3.78Å; F49-L96 HydrophobicContact CD1-CD2 4.35Å; F49-L96 HydrophobicContact CD1-CG 4.24Å; F49-L96 HydrophobicContact CE1-CB 3.88Å; F49-L96 HydrophobicContact CE1-CD1 4.49Å; F49-L96 HydrophobicContact CE1-CD2 4.38Å; F49-L96 HydrophobicContact CE1-CG 4.48Å; F49-L96 HydrophobicContact CG-CB 4.42Å; F49-L96 HydrophobicContact CG-CD1 4.16Å; F49-L96 HydrophobicContact CZ-CB 4.3Å; S92-L96 VanDerWaalsContact O-CG 3.27Å; S92-L96 WeakPolarHBondContact O-CG 3.44Å; S92-L96 PolarHBondContact O-N 2.78Å; C93-L96 PolarHBondContact O-N 3.33Å; Y94-L96 PolarHBondContact O-N 3.43Å; L96-W416 HydrophobicContact CD2-CH2 3.42Å; L96-W416 VanDerWaalsContact CD2-CH2 3.42Å; L96-W416 HydrophobicContact CD2-CZ3 3.53Å; L96-W421 HydrophobicContact CD2-CH2 3.79Å; L96-W421 HydrophobicContact CD2-CZ2 4.18Å; L96-W421 HydrophobicContact CD2-CZ3 4.34Å
97T96.8Very high97.8Very high40 Ų4019.5 Ų19.525%0.24510%0.097CC..Hα-helixtrans-115.3-16.8-169.364.40000115F49 F57 C93 Y94 D99 F102F49-T97 HydrophobicContact CD2-CG2 3.96Å; F49-T97 HydrophobicContact CE2-CG2 3.6Å; F49-T97 HydrophobicContact CZ-CG2 4.23Å; F57-T97 HydrophobicContact CE1-CG2 4.03Å; F57-T97 HydrophobicContact CE2-CG2 4.39Å; F57-T97 HydrophobicContact CZ-CG2 3.51Å; C93-T97 WeakPolarHBondContact O-CB 3.21Å; C93-T97 WeakPolarHBondContact O-CG2 3.1Å; C93-T97 PolarHBondContact O-N 2.91Å; C93-T97 PolarHBondContact O-OG1 3.1Å; Y94-T97 PolarHBondContact O-N 2.91Å; T97-D99 PolarHBondContact O-N 2.91Å; T97-D99 PolarHBondContact OG1-N 2.71Å; T97-F102 WeakPolarHBondContact OG1-CE2 3.36Å
98K94.9Very high97.8Very high79 Ų7923.3 Ų23.334%0.34312%0.115SC..  trans55.721.3-169.4-54.4-60.5-179.5179.40114Y94 P100 D437 F439Y94-K98 HydrophobicContact CE1-CD 4.37Å; Y94-K98 VanDerWaalsContact O-CA 3.25Å; Y94-K98 WeakPolarHBondContact O-CA 3.27Å; Y94-K98 PolarHBondContact O-N 2.78Å; K98-P100 VanDerWaalsContact O-CD 3.31Å; K98-P100 WeakPolarHBondContact O-CD 3.5Å; K98-D437 IonicContact NZ-OD1 2.7Å; K98-D437 IonicContact NZ-OD2 3.47Å; K98-D437 PolarHBondContact NZ-OD2 3.33Å; K98-F439 HydrophobicContact CD-CD2 4.49Å
99D97Very high97.8Very high40 Ų4023.4 Ų23.421%0.21412%0.115CC..  trans-79.7112.5175.6-171.7-27.3000110.9K61 Y94 T97 M101 F102K61-D99 WeakPolarHBondContact CE-OD2 3.42Å; K61-D99 IonicContact NZ-OD2 3.32Å; K61-D99 PolarHBondContact NZ-OD2 3.14Å; Y94-D99 WeakPolarHBondContact CD2-O 3.42Å; T97-D99 PolarHBondContact O-N 2.91Å; T97-D99 PolarHBondContact OG1-N 2.71Å; D99-M101 PolarHBondContact O-N 3.46Å; D99-M101 WeakPolarHBondContact OD1-CB 3.43Å; D99-M101 PolarHBondContact OD1-N 2.93Å; D99-F102 HydrophobicContact CB-CD2 3.9Å; D99-F102 HydrophobicContact CB-CE2 4.06Å; D99-F102 PolarHBondContact O-N 3.19Å
100P96.7Very high97.7Very high53 Ų5323.4 Ų23.434%0.34412%0.115SC..Hα-helixtrans-65.8-11.7-176.228.7-36.7000113.8K98 F102 V103 R104 I441K98-P100 VanDerWaalsContact O-CD 3.31Å; K98-P100 WeakPolarHBondContact O-CD 3.5Å; P100-F102 PolarHBondContact O-N 2.78Å; P100-V103 PolarHBondContact O-N 2.62Å; P100-R104 PolarHBondContact O-N 3.24Å; P100-R104 VanDerWaalsContact O-N 3.1Å; P100-R104 PolarHBondContact O-NH1 3.41Å; P100-I441 HydrophobicContact CB-CD1 3.79Å
101M97.9Very high97.7Very high8 Ų827 Ų274%0.03914%0.135CC..Hα-helixtrans-55-41.6171.6-174.6-79.4-66.700111.6K61 I64 K65 D99 V103 R104 K105K61-M101 HydrophobicContact CG-CE 3.94Å; I64-M101 HydrophobicContact CB-CE 4.5Å; I64-M101 HydrophobicContact CG2-CE 4.04Å; I64-M101 HydrophobicContact CG2-SD 3.9Å; K65-M101 HydrophobicContact CB-CE 4.25Å; K65-M101 HydrophobicContact CB-CG 4.33Å; K65-M101 HydrophobicContact CB-SD 4.18Å; K65-M101 HydrophobicContact CG-CG 4.24Å; D99-M101 PolarHBondContact O-N 3.46Å; D99-M101 WeakPolarHBondContact OD1-CB 3.43Å; D99-M101 PolarHBondContact OD1-N 2.93Å; M101-V103 PolarHBondContact O-N 2.76Å; M101-R104 VanDerWaalsContact CA-NH2 3.32Å; M101-R104 PolarHBondContact O-N 3.34Å; M101-K105 PolarHBondContact O-N 2.65Å; M101-K105 HydrophobicContact SD-CG 3.66Å
102F98.6Very high97.6Very high0 Ų028.2 Ų28.20%014%0.144CC..Hα-helixtrans-66.8-38.6-179.1-67.5-64.7000112.5L45 F57 K61 I64 L90 C93 T97 D99 P100 K105 A106L45-F102 HydrophobicContact CD2-CE1 3.83Å; L45-F102 HydrophobicContact CD2-CZ 4.08Å; F57-F102 HydrophobicContact CE2-CZ 4.49Å; F57-F102 HydrophobicContact CZ-CE2 4.22Å; F57-F102 AromaticContact CZ-CZ 3.99Å; F57-F102 HydrophobicContact CZ-CZ 3.99Å; K61-F102 HydrophobicContact CB-CZ 4.23Å; K61-F102 HydrophobicContact CD-CE2 4.42Å; K61-F102 HydrophobicContact CD-CZ 4.12Å; K61-F102 HydrophobicContact CG-CE1 4.49Å; K61-F102 HydrophobicContact CG-CZ 3.82Å; I64-F102 HydrophobicContact CD1-CE1 4.24Å; L90-F102 HydrophobicContact CD2-CD1 3.9Å; L90-F102 VanDerWaalsContact O-CB 3.3Å; L90-F102 WeakPolarHBondContact O-CB 3.49Å; C93-F102 HydrophobicContact CB-CB 4.47Å; C93-F102 HydrophobicContact CB-CD1 3.65Å; C93-F102 HydrophobicContact CB-CD2 3.76Å; C93-F102 HydrophobicContact CB-CE1 3.64Å; C93-F102 HydrophobicContact CB-CE2 3.77Å; C93-F102 HydrophobicContact CB-CG 3.71Å; C93-F102 HydrophobicContact CB-CZ 3.7Å; T97-F102 WeakPolarHBondContact OG1-CE2 3.36Å; D99-F102 HydrophobicContact CB-CD2 3.9Å; D99-F102 HydrophobicContact CB-CE2 4.06Å; D99-F102 PolarHBondContact O-N 3.19Å; P100-F102 PolarHBondContact O-N 2.78Å; F102-K105 PolarHBondContact O-N 2.85Å; F102-A106 WeakPolarHBondContact O-CB 3.3Å; F102-A106 PolarHBondContact O-N 2.79Å
103V98.2Very high97.6Very high0 Ų028.2 Ų28.20%014%0.144CC..Hα-helixtrans-66.1-40.6175.6-175.60000111.2Y94 P100 M101 K105 A106 S107 L161 L164 T165 I441Y94-V103 HydrophobicContact CD1-CG2 3.87Å; Y94-V103 HydrophobicContact CD2-CG2 3.34Å; Y94-V103 HydrophobicContact CE1-CG2 4.3Å; Y94-V103 HydrophobicContact CE2-CG2 3.79Å; Y94-V103 HydrophobicContact CG-CG2 3.35Å; P100-V103 PolarHBondContact O-N 2.62Å; M101-V103 PolarHBondContact O-N 2.76Å; V103-K105 PolarHBondContact O-N 3.23Å; V103-A106 PolarHBondContact O-N 2.93Å; V103-S107 PolarHBondContact O-N 3.43Å; V103-S107 PolarHBondContact O-OG 3.16Å; V103-L161 HydrophobicContact CG1-CD1 4.2Å; V103-L164 HydrophobicContact CG1-CB 4.02Å; V103-L164 HydrophobicContact CG1-CD1 4.47Å; V103-L164 HydrophobicContact CG2-CB 4.48Å; V103-L164 HydrophobicContact CG2-CD1 3.82Å; V103-T165 HydrophobicContact CG1-CG2 3.74Å; V103-I441 HydrophobicContact CB-CD1 3.75Å; V103-I441 HydrophobicContact CG1-CD1 3.83Å; V103-I441 HydrophobicContact CG2-CD1 4Å
104R97.7Very high97.6Very high111 Ų11129.7 Ų29.742%0.41915%0.152SC..Hα-helixtrans-59.1-47.9173.9-73-169.4-60.3-84.92.6111.1P100 M101 A106 S107 E108 F444P100-R104 PolarHBondContact O-N 3.24Å; P100-R104 VanDerWaalsContact O-N 3.1Å; P100-R104 PolarHBondContact O-NH1 3.41Å; M101-R104 VanDerWaalsContact CA-NH2 3.32Å; M101-R104 PolarHBondContact O-N 3.34Å; R104-A106 PolarHBondContact O-N 3.39Å; R104-S107 WeakPolarHBondContact O-CB 3.5Å; R104-S107 PolarHBondContact O-N 2.81Å; R104-E108 WeakPolarHBondContact O-CG 3.2Å; R104-E108 PolarHBondContact O-N 3.25Å; R104-F444 HydrophobicContact CG-CD1 4.05Å; R104-F444 HydrophobicContact CG-CE1 3.77Å
105K98.5Very high97.5Very high26 Ų2630.7 Ų30.711%0.11316%0.159CC..Hα-helixtrans-64.2-39.9177.4-71.5-65.9176.2-166.70112.6I64 L68 L90 M101 F102 V103 S107 E108 V109I64-K105 HydrophobicContact CG2-CB 4.42Å; I64-K105 HydrophobicContact CG2-CG 3.97Å; I64-K105 WeakPolarHBondContact O-CE 3.49Å; L68-K105 HydrophobicContact CD2-CB 4.44Å; L68-K105 HydrophobicContact CD2-CD 4.46Å; L68-K105 PolarHBondContact O-NZ 3.34Å; L90-K105 HydrophobicContact CD1-CB 3.89Å; L90-K105 HydrophobicContact CD2-CB 4.03Å; M101-K105 PolarHBondContact O-N 2.65Å; M101-K105 HydrophobicContact SD-CG 3.66Å; F102-K105 PolarHBondContact O-N 2.85Å; V103-K105 PolarHBondContact O-N 3.23Å; K105-S107 VanDerWaalsContact C-N 3.29Å; K105-S107 PolarHBondContact O-N 3.33Å; K105-E108 WeakPolarHBondContact CD-OE2 3.05Å; K105-E108 IonicContact NZ-OE1 2.83Å; K105-E108 PolarHBondContact NZ-OE1 3.37Å; K105-E108 IonicContact NZ-OE2 2.91Å; K105-E108 PolarHBondContact NZ-OE2 3.27Å; K105-E108 PolarHBondContact O-N 2.93Å; K105-V109 WeakPolarHBondContact O-CG2 3.21Å; K105-V109 PolarHBondContact O-N 2.93Å; K105-V109 VanDerWaalsContact O-N 3.1Å
106A98.7Very high97.6Very high0 Ų030.3 Ų30.30%016%0.156CC..Hα-helixtrans-61.6-40.5175.400000111.4V87 L90 L91 F102 V103 R104 V109 A110 L161V87-A106 HydrophobicContact CG1-CB 4.27Å; L90-A106 HydrophobicContact CB-CB 3.9Å; L90-A106 HydrophobicContact CD1-CB 4.28Å; L91-A106 HydrophobicContact CD2-CB 3.9Å; L91-A106 HydrophobicContact CG-CB 3.99Å; F102-A106 WeakPolarHBondContact O-CB 3.3Å; F102-A106 PolarHBondContact O-N 2.79Å; V103-A106 PolarHBondContact O-N 2.93Å; R104-A106 PolarHBondContact O-N 3.39Å; A106-V109 PolarHBondContact O-N 3.34Å; A106-A110 WeakPolarHBondContact O-CB 3.22Å; A106-A110 PolarHBondContact O-N 2.75Å; A106-L161 HydrophobicContact CB-CD1 3.94Å
107S98.3Very high97.7Very high11 Ų1129.2 Ų29.28%0.07715%0.15CC..Hα-helixtrans-63.9-45.9175.2-50.20000111.7V103 R104 K105 V109 A110 D111 T165V103-S107 PolarHBondContact O-N 3.43Å; V103-S107 PolarHBondContact O-OG 3.16Å; R104-S107 WeakPolarHBondContact O-CB 3.5Å; R104-S107 PolarHBondContact O-N 2.81Å; K105-S107 VanDerWaalsContact C-N 3.29Å; K105-S107 PolarHBondContact O-N 3.33Å; S107-V109 VanDerWaalsContact C-N 3.26Å; S107-V109 PolarHBondContact O-N 2.98Å; S107-A110 PolarHBondContact O-N 3.49Å; S107-D111 VanDerWaalsContact O-CB 3.27Å; S107-D111 WeakPolarHBondContact O-CB 3.37Å; S107-D111 PolarHBondContact O-N 3.47Å; S107-T165 WeakPolarHBondContact OG-CG2 3.18Å
108E97.7Very high97.7Very high81 Ų8132.9 Ų32.938%0.37917%0.168SC..Hα-helixtrans-55.8-40.4175.7-72.2171.5-152.800112.1R104 K105 A112R104-E108 WeakPolarHBondContact O-CG 3.2Å; R104-E108 PolarHBondContact O-N 3.25Å; K105-E108 WeakPolarHBondContact CD-OE2 3.05Å; K105-E108 IonicContact NZ-OE1 2.83Å; K105-E108 PolarHBondContact NZ-OE1 3.37Å; K105-E108 IonicContact NZ-OE2 2.91Å; K105-E108 PolarHBondContact NZ-OE2 3.27Å; K105-E108 PolarHBondContact O-N 2.93Å; E108-A112 PolarHBondContact O-N 3.36Å
109V98.4Very high97.9Very high2 Ų230 Ų301%0.01216%0.157CC..Hα-helixtrans-67.8-54.6175.31780000110.6F70 V87 L90 K105 A106 S107 D111 A112 L113F70-V109 HydrophobicContact CD1-CB 4.48Å; F70-V109 HydrophobicContact CD1-CG1 3.92Å; F70-V109 HydrophobicContact CD1-CG2 4.38Å; F70-V109 HydrophobicContact CD2-CB 4.46Å; F70-V109 HydrophobicContact CD2-CG1 4.44Å; F70-V109 HydrophobicContact CD2-CG2 3.55Å; F70-V109 HydrophobicContact CE1-CG1 3.65Å; F70-V109 HydrophobicContact CE1-CG2 4.47Å; F70-V109 HydrophobicContact CE2-CG1 4.18Å; F70-V109 HydrophobicContact CE2-CG2 3.64Å; F70-V109 HydrophobicContact CG-CB 4.42Å; F70-V109 HydrophobicContact CG-CG1 4.31Å; F70-V109 HydrophobicContact CG-CG2 3.93Å; F70-V109 HydrophobicContact CZ-CG1 3.77Å; F70-V109 HydrophobicContact CZ-CG2 4.12Å; V87-V109 HydrophobicContact CG2-CB 4.06Å; V87-V109 HydrophobicContact CG2-CG1 3.7Å; L90-V109 HydrophobicContact CD1-CG2 4.22Å; K105-V109 WeakPolarHBondContact O-CG2 3.21Å; K105-V109 PolarHBondContact O-N 2.93Å; K105-V109 VanDerWaalsContact O-N 3.1Å; A106-V109 PolarHBondContact O-N 3.34Å; S107-V109 VanDerWaalsContact C-N 3.26Å; S107-V109 PolarHBondContact O-N 2.98Å; V109-D111 VanDerWaalsContact C-N 3.31Å; V109-D111 PolarHBondContact O-N 2.94Å; V109-A112 WeakPolarHBondContact O-CB 3.39Å; V109-A112 PolarHBondContact O-N 3.45Å; V109-A112 VanDerWaalsContact O-N 3.07Å; V109-L113 HydrophobicContact CG1-CD1 4.41Å; V109-L113 WeakPolarHBondContact O-CG 3.17Å; V109-L113 PolarHBondContact O-N 3.18Å
110A98.5Very high97.8Very high0 Ų032.5 Ų32.50%018%0.178CC..Hα-helixtrans-59-41.5-17700000112.3V87 A106 S107 A112 L113 L114 L161 Y170V87-A110 HydrophobicContact CG2-CB 4.35Å; A106-A110 WeakPolarHBondContact O-CB 3.22Å; A106-A110 PolarHBondContact O-N 2.75Å; S107-A110 PolarHBondContact O-N 3.49Å; A110-A112 VanDerWaalsContact C-N 3.28Å; A110-A112 PolarHBondContact O-N 2.98Å; A110-L113 WeakPolarHBondContact O-CB 3.34Å; A110-L113 PolarHBondContact O-N 3.36Å; A110-L114 WeakPolarHBondContact O-CG 3.34Å; A110-L114 PolarHBondContact O-N 3.06Å; A110-L161 HydrophobicContact CB-CD2 3.4Å; A110-L161 VanDerWaalsContact CB-CD2 3.4Å; A110-Y170 HydrophobicContact CB-CD1 3.86Å; A110-Y170 HydrophobicContact CB-CE1 3.61Å
111D97.8Very high97.8Very high76 Ų7631 Ų3141%0.40617%0.168SC..Hα-helixtrans-59.7-38.1176.4-73.3-13.6000112.1S107 V109 L113 L114 Y170S107-D111 VanDerWaalsContact O-CB 3.27Å; S107-D111 WeakPolarHBondContact O-CB 3.37Å; S107-D111 PolarHBondContact O-N 3.47Å; V109-D111 VanDerWaalsContact C-N 3.31Å; V109-D111 PolarHBondContact O-N 2.94Å; D111-L113 PolarHBondContact O-N 2.84Å; D111-L114 PolarHBondContact O-N 3.24Å; D111-Y170 VanDerWaalsContact OD1-CE1 3.24Å; D111-Y170 WeakPolarHBondContact OD1-CE1 3.35Å; D111-Y170 VanDerWaalsContact OD1-CZ 3.3Å; D111-Y170 PolarHBondContact OD1-OH 3.5Å
112A96.9Very high97.7Very high24 Ų2430.9 Ų30.920%0.19817%0.169CC..Hα-helixtrans-67.8-25.8176.400000112.7F70 E108 V109 A110 P115 M130F70-A112 HydrophobicContact CB-CB 4.24Å; E108-A112 PolarHBondContact O-N 3.36Å; V109-A112 WeakPolarHBondContact O-CB 3.39Å; V109-A112 PolarHBondContact O-N 3.45Å; V109-A112 VanDerWaalsContact O-N 3.07Å; A110-A112 VanDerWaalsContact C-N 3.28Å; A110-A112 PolarHBondContact O-N 2.98Å; A112-P115 WeakPolarHBondContact O-CD 3.48Å; A112-M130 HydrophobicContact CB-CE 3.95Å
113L97.9Very high97.7Very high0 Ų030.9 Ų30.90%017%0.169CC..Hα-helixtrans-86.1-23.8177.7-55.1-179.8000113.2V79 T83 V109 A110 D111 P115 A116 I128V79-L113 HydrophobicContact CG1-CB 4.49Å; T83-L113 WeakPolarHBondContact OG1-CD1 3.34Å; V109-L113 HydrophobicContact CG1-CD1 4.41Å; V109-L113 WeakPolarHBondContact O-CG 3.17Å; V109-L113 PolarHBondContact O-N 3.18Å; A110-L113 WeakPolarHBondContact O-CB 3.34Å; A110-L113 PolarHBondContact O-N 3.36Å; D111-L113 PolarHBondContact O-N 2.84Å; L113-P115 VanDerWaalsContact C-N 3.3Å; L113-P115 VanDerWaalsContact O-N 3.11Å; L113-A116 VanDerWaalsContact O-CB 3.27Å; L113-A116 WeakPolarHBondContact O-CB 3.41Å; L113-A116 PolarHBondContact O-N 3.26Å; L113-I128 HydrophobicContact CD2-CG2 3.74Å
114L98.1Very high97.7Very high32 Ų3231 Ų3117%0.16817%0.169CC..G310 helixtrans-49.5-37.6-176.7-73.2179.8000115.1A110 D111 A116 F117 F158 V169 Y170 K173A110-L114 WeakPolarHBondContact O-CG 3.34Å; A110-L114 PolarHBondContact O-N 3.06Å; D111-L114 PolarHBondContact O-N 3.24Å; L114-A116 PolarHBondContact O-N 3.47Å; L114-A116 VanDerWaalsContact O-N 3.13Å; L114-F117 WeakPolarHBondContact O-CB 3.46Å; L114-F117 PolarHBondContact O-N 2.76Å; L114-F158 HydrophobicContact CD2-CE1 4.43Å; L114-V169 HydrophobicContact CD1-CG1 4.01Å; L114-V169 HydrophobicContact CD2-CG1 4.15Å; L114-Y170 HydrophobicContact CD1-CE1 4.24Å; L114-Y170 HydrophobicContact CD2-CD1 4.16Å; L114-Y170 HydrophobicContact CD2-CE1 4.49Å; L114-K173 HydrophobicContact CD2-CG 4.1Å
115P97.5Very high97.7Very high27 Ų2727.5 Ų27.518%0.17516%0.157CC..G310 helixtrans-61.1-21.6178-22.433.3000114.3A112 L113 F117 N118 I128 K133A112-P115 WeakPolarHBondContact O-CD 3.48Å; L113-P115 VanDerWaalsContact C-N 3.3Å; L113-P115 VanDerWaalsContact O-N 3.11Å; P115-F117 PolarHBondContact O-N 3.17Å; P115-N118 WeakPolarHBondContact O-CB 3.38Å; P115-N118 PolarHBondContact O-N 3.17Å; P115-N118 VanDerWaalsContact O-N 3.14Å; P115-I128 HydrophobicContact CB-CD1 3.88Å; P115-I128 HydrophobicContact CG-CD1 4.42Å; P115-K133 HydrophobicContact CB-CB 4.36Å; P115-K133 VanDerWaalsContact CB-O 3.25Å; P115-K133 WeakPolarHBondContact CB-O 3.47Å; P115-K133 HydrophobicContact CG-CB 4.22Å
116A98Very high97.7Very high0 Ų026.4 Ų26.40%015%0.152CC..G310 helixtrans-64.9-23.2174.600000112.9V79 L113 L114 N118 P124 Y125 I128V79-A116 HydrophobicContact CG2-CB 3.5Å; L113-A116 VanDerWaalsContact O-CB 3.27Å; L113-A116 WeakPolarHBondContact O-CB 3.41Å; L113-A116 PolarHBondContact O-N 3.26Å; L114-A116 PolarHBondContact O-N 3.47Å; L114-A116 VanDerWaalsContact O-N 3.13Å; A116-N118 VanDerWaalsContact C-N 3.27Å; A116-N118 PolarHBondContact O-N 3.01Å; A116-P124 HydrophobicContact CB-CB 4.43Å; A116-P124 VanDerWaalsContact O-CA 3.27Å; A116-P124 WeakPolarHBondContact O-CA 3.5Å; A116-Y125 WeakPolarHBondContact O-CD2 3.25Å; A116-Y125 PolarHBondContact O-N 2.71Å; A116-I128 HydrophobicContact CB-CB 4.45Å
117F98.3Very high97.6Very high3 Ų326.9 Ų26.91%0.01316%0.155CC..G310 helixtrans-81.9-1176.2-66.8-98000113.5V79 L114 P115 T119 P124 L154 F158 K173V79-F117 HydrophobicContact CG1-CE2 4.47Å; L114-F117 WeakPolarHBondContact O-CB 3.46Å; L114-F117 PolarHBondContact O-N 2.76Å; P115-F117 PolarHBondContact O-N 3.17Å; F117-T119 PolarHBondContact O-N 2.98Å; F117-P124 HydrophobicContact CD1-CB 3.75Å; F117-P124 HydrophobicContact CD1-CG 3.92Å; F117-P124 HydrophobicContact CD2-CB 4.07Å; F117-P124 HydrophobicContact CE1-CB 3.78Å; F117-P124 HydrophobicContact CE1-CG 3.55Å; F117-P124 HydrophobicContact CE2-CB 4.09Å; F117-P124 HydrophobicContact CG-CB 3.91Å; F117-P124 HydrophobicContact CZ-CB 3.97Å; F117-P124 HydrophobicContact CZ-CG 3.91Å; F117-L154 HydrophobicContact CE1-CD1 4.29Å; F117-L154 HydrophobicContact CZ-CD1 3.72Å; F117-F158 AromaticContact CE2-CE1 3.68Å; F117-F158 HydrophobicContact CE2-CE1 3.68Å; F117-F158 AromaticContact CE2-CZ 3.98Å; F117-F158 HydrophobicContact CE2-CZ 3.98Å; F117-F158 HydrophobicContact CZ-CD1 4.37Å; F117-F158 AromaticContact CZ-CE1 3.63Å; F117-F158 HydrophobicContact CZ-CE1 3.63Å; F117-F158 HydrophobicContact CZ-CZ 4.1Å; F117-K173 HydrophobicContact CB-CD 3.91Å; F117-K173 HydrophobicContact CB-CG 4.43Å; F117-K173 HydrophobicContact CD1-CB 3.73Å; F117-K173 HydrophobicContact CD1-CD 4.1Å; F117-K173 HydrophobicContact CD1-CG 4.02Å; F117-K173 HydrophobicContact CD2-CG 4.49Å; F117-K173 HydrophobicContact CE1-CB 3.7Å; F117-K173 HydrophobicContact CE1-CG 4.36Å; F117-K173 HydrophobicContact CG-CB 4.28Å; F117-K173 HydrophobicContact CG-CD 4.06Å; F117-K173 HydrophobicContact CG-CG 4.07Å; F117-K173 HydrophobicContact CZ-CB 4.23Å
118N96.8Very high97.5Very high117 Ų11726.4 Ų26.463%0.62615%0.151SC*.  trans-78.564.8178.7-68.1-19.1000111P115 A116P115-N118 WeakPolarHBondContact O-CB 3.38Å; P115-N118 PolarHBondContact O-N 3.17Å; P115-N118 VanDerWaalsContact O-N 3.14Å; A116-N118 VanDerWaalsContact C-N 3.27Å; A116-N118 PolarHBondContact O-N 3.01Å
119T97.4Very high97.4Very high18 Ų1823.8 Ų23.811%0.1114%0.139CC..SBendtrans-121.2160177.472.80000109.7F117 T121 G122 I123 Y125 P197F117-T119 PolarHBondContact O-N 2.98Å; T119-T121 PolarHBondContact O-N 2.87Å; T119-G122 PolarHBondContact O-N 3.18Å; T119-G122 VanDerWaalsContact O-N 3.15Å; T119-G122 WeakPolarHBondContact OG1-CA 3.46Å; T119-G122 PolarHBondContact OG1-N 3.02Å; T119-I123 WeakPolarHBondContact CB-O 3.42Å; T119-I123 WeakPolarHBondContact CG2-O 3.3Å; T119-I123 PolarHBondContact OG1-N 3.04Å; T119-I123 PolarHBondContact OG1-O 3.39Å; T119-Y125 HydrophobicContact CG2-CD2 3.61Å; T119-Y125 HydrophobicContact CG2-CE1 4.49Å; T119-Y125 HydrophobicContact CG2-CE2 3.43Å; T119-Y125 VanDerWaalsContact CG2-CE2 3.43Å; T119-Y125 HydrophobicContact CG2-CG 4.29Å; T119-P197 WeakPolarHBondContact CB-O 3.06Å; T119-P197 HydrophobicContact CG2-CB 4Å; T119-P197 PolarHBondContact OG1-O 2.89Å
120S95.9Very high97.2Very high93 Ų9324.7 Ų24.765%0.6514%0.143SC*.SBendtrans-61.3-30.2-177.8-49.30000112.6H198S120-H198 WeakPolarHBondContact CB-O 3.44Å
121T96.2Very high96.9Very high22 Ų2230.4 Ų30.414%0.13517%0.17CC..SBendtrans-90.7-22.5177.963.30000112.9T119 I123 K176 P197T119-T121 PolarHBondContact O-N 2.87Å; T121-I123 VanDerWaalsContact C-N 3.29Å; T121-I123 WeakPolarHBondContact OG1-CB 3.27Å; T121-I123 WeakPolarHBondContact OG1-CG1 3.43Å; T121-I123 PolarHBondContact OG1-N 2.73Å; T121-I123 VanDerWaalsContact OG1-N 3.11Å; T121-K176 WeakPolarHBondContact O-CE 3.49Å; T121-K176 PolarHBondContact O-NZ 3.46Å; T121-P197 WeakPolarHBondContact CB-O 3.2Å; T121-P197 VanDerWaalsContact CG2-O 3.3Å; T121-P197 WeakPolarHBondContact CG2-O 3.35Å; T121-P197 PolarHBondContact N-O 3.19Å; T121-P197 PolarHBondContact OG1-O 3.24Å
122G96.8Very high96.7Very high6 Ų635.8 Ų35.86%0.06219%0.185CC..SBendtrans84.2-2.5-167.700000114.2T119T119-G122 PolarHBondContact O-N 3.18Å; T119-G122 VanDerWaalsContact O-N 3.15Å; T119-G122 WeakPolarHBondContact OG1-CA 3.46Å; T119-G122 PolarHBondContact OG1-N 3.02Å
123I98.1Very high96.6Very high0 Ų041.8 Ų41.80%021%0.206CC..PPolyproline II helixtrans-68.6125.2168.9-61.1169.6000107.7T119 T121 F151 F180 V195 P197T119-I123 WeakPolarHBondContact CB-O 3.42Å; T119-I123 WeakPolarHBondContact CG2-O 3.3Å; T119-I123 PolarHBondContact OG1-N 3.04Å; T119-I123 PolarHBondContact OG1-O 3.39Å; T121-I123 VanDerWaalsContact C-N 3.29Å; T121-I123 WeakPolarHBondContact OG1-CB 3.27Å; T121-I123 WeakPolarHBondContact OG1-CG1 3.43Å; T121-I123 PolarHBondContact OG1-N 2.73Å; T121-I123 VanDerWaalsContact OG1-N 3.11Å; I123-F151 HydrophobicContact CG2-CB 4.02Å; I123-F151 HydrophobicContact CG2-CD1 3.96Å; I123-F151 HydrophobicContact CG2-CD2 4.01Å; I123-F151 HydrophobicContact CG2-CE1 4.45Å; I123-F151 HydrophobicContact CG2-CE2 4.47Å; I123-F151 HydrophobicContact CG2-CG 3.75Å; I123-F180 HydrophobicContact CD1-CD1 3.58Å; I123-F180 HydrophobicContact CD1-CD2 4.32Å; I123-F180 HydrophobicContact CD1-CE1 3.37Å; I123-F180 HydrophobicContact CD1-CE2 4.13Å; I123-F180 HydrophobicContact CD1-CG 4.08Å; I123-F180 HydrophobicContact CD1-CZ 3.66Å; I123-F180 HydrophobicContact CG1-CD1 4.17Å; I123-F180 HydrophobicContact CG1-CE1 4.42Å; I123-F180 HydrophobicContact CG1-CG 4.43Å; I123-V195 HydrophobicContact CD1-CB 4.25Å; I123-V195 HydrophobicContact CD1-CG1 3.41Å; I123-V195 VanDerWaalsContact CD1-CG1 3.41Å; I123-P197 HydrophobicContact CB-CB 4.32Å; I123-P197 HydrophobicContact CG2-CB 4.45Å
124P98.4Very high96.5Very high2 Ų245 Ų451%0.01323%0.226CC..PPolyproline II helixtrans-67.7151.6-178.227.8-35.2000112.1A116 F117 S146 F151 L154A116-P124 HydrophobicContact CB-CB 4.43Å; A116-P124 VanDerWaalsContact O-CA 3.27Å; A116-P124 WeakPolarHBondContact O-CA 3.5Å; F117-P124 HydrophobicContact CD1-CB 3.75Å; F117-P124 HydrophobicContact CD1-CG 3.92Å; F117-P124 HydrophobicContact CD2-CB 4.07Å; F117-P124 HydrophobicContact CE1-CB 3.78Å; F117-P124 HydrophobicContact CE1-CG 3.55Å; F117-P124 HydrophobicContact CE2-CB 4.09Å; F117-P124 HydrophobicContact CG-CB 3.91Å; F117-P124 HydrophobicContact CZ-CB 3.97Å; F117-P124 HydrophobicContact CZ-CG 3.91Å; P124-S146 WeakPolarHBondContact O-CB 3.43Å; P124-S146 PolarHBondContact O-OG 3.36Å; P124-F151 HydrophobicContact CG-CB 3.75Å; P124-L154 HydrophobicContact CG-CD1 3.93Å
125Y98.3Very high96.4Very high38 Ų3844.2 Ų44.215%0.14923%0.226CC..PPolyproline II helixtrans-65.6151.5158.9-67.4-72.4000111V79 A116 T119 L127 G135 N137 P197 H198V79-Y125 WeakPolarHBondContact CG2-O 3.45Å; A116-Y125 WeakPolarHBondContact O-CD2 3.25Å; A116-Y125 PolarHBondContact O-N 2.71Å; T119-Y125 HydrophobicContact CG2-CD2 3.61Å; T119-Y125 HydrophobicContact CG2-CE1 4.49Å; T119-Y125 HydrophobicContact CG2-CE2 3.43Å; T119-Y125 VanDerWaalsContact CG2-CE2 3.43Å; T119-Y125 HydrophobicContact CG2-CG 4.29Å; Y125-L127 VanDerWaalsContact C-N 3.3Å; Y125-L127 PolarHBondContact O-N 2.8Å; Y125-G135 VanDerWaalsContact CD2-C 3.46Å; Y125-G135 VanDerWaalsContact CD2-CA 3.41Å; Y125-G135 VanDerWaalsContact CG-C 3.49Å; Y125-N137 WeakPolarHBondContact CA-OD1 3.25Å; Y125-P197 HydrophobicContact CD1-CG 4.05Å; Y125-P197 HydrophobicContact CE1-CG 3.84Å; Y125-H198 AromaticContact CZ-CE1 3.99Å; Y125-H198 AromaticContact CZ-NE2 3.81Å; Y125-H198 PolarHBondContact OH-CE1 2.94Å; Y125-H198 PolarHBondContact OH-NE2 2.65Å
126A97.6Very high96.3Very high3 Ų346.6 Ų46.63%0.02523%0.233CC..SBendtrans-59.1-39.7175.100000112.9V79 N137 E150V79-A126 PolarHBondContact N-O 3.03Å; A126-N137 WeakPolarHBondContact CB-OD1 3.41Å; A126-N137 PolarHBondContact N-OD1 2.99Å; A126-E150 WeakPolarHBondContact CA-OE2 3.46Å; A126-E150 WeakPolarHBondContact CB-OE2 3.3Å
127L96.9Very high96.3Very high10 Ų1047.6 Ų47.65%0.05224%0.239CC..EExtended strand (participates in β ladder)trans-121.4147.5-173.4-56.9175.1000111.1L77 Y125 G135 K136 W138L77-L127 CarbonylContact O-C 3.57Å; L77-L127 VanDerWaalsContact O-CA 3.27Å; L77-L127 WeakPolarHBondContact O-CA 3.5Å; Y125-L127 VanDerWaalsContact C-N 3.3Å; Y125-L127 PolarHBondContact O-N 2.8Å; L127-G135 CarbonylContact O-C 3.27Å; L127-G135 WeakPolarHBondContact O-CA 3.36Å; L127-K136 WeakPolarHBondContact CA-O 3.31Å; L127-K136 HydrophobicContact CB-CG 3.86Å; L127-K136 WeakPolarHBondContact CB-O 3.12Å; L127-K136 HydrophobicContact CD1-CD 4.48Å; L127-K136 HydrophobicContact CD1-CG 4.15Å; L127-K136 PolarHBondContact N-O 2.7Å; L127-K136 PolarHBondContact O-N 3.28Å; L127-W138 HydrophobicContact CD1-CD2 4.12Å; L127-W138 HydrophobicContact CD1-CE3 3.78Å; L127-W138 HydrophobicContact CD1-CH2 4.26Å; L127-W138 HydrophobicContact CD1-CZ3 3.85Å; L127-W138 HydrophobicContact CD2-CE3 4.49Å; L127-W138 HydrophobicContact CD2-CH2 3.58Å; L127-W138 HydrophobicContact CD2-CZ2 3.57Å; L127-W138 HydrophobicContact CD2-CZ3 4.05Å; L127-W138 HydrophobicContact CG-CD2 4.37Å; L127-W138 HydrophobicContact CG-CE3 4.43Å; L127-W138 HydrophobicContact CG-CH2 4.36Å; L127-W138 HydrophobicContact CG-CZ2 4.27Å; L127-W138 HydrophobicContact CG-CZ3 4.42Å
128I96.4Very high96.1Very high1 Ų150.4 Ų50.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-112.4129.9167.1-179.663.1000109.7S76 L77 V79 L113 P115 A116 M130S76-I128 CarbonylContact C-O 3.5Å; S76-I128 VanDerWaalsContact CA-O 3.27Å; S76-I128 WeakPolarHBondContact CA-O 2.9Å; L77-I128 HydrophobicContact CB-CG2 4.06Å; L77-I128 PolarHBondContact N-O 3.44Å; L77-I128 PolarHBondContact O-N 2.8Å; V79-I128 HydrophobicContact CG2-CB 4.3Å; V79-I128 HydrophobicContact CG2-CG2 4.31Å; L113-I128 HydrophobicContact CD2-CG2 3.74Å; P115-I128 HydrophobicContact CB-CD1 3.88Å; P115-I128 HydrophobicContact CG-CD1 4.42Å; A116-I128 HydrophobicContact CB-CB 4.45Å; I128-M130 HydrophobicContact CG1-SD 4.14Å; I128-M130 HydrophobicContact CG2-SD 3.68Å
129E95.3Very high95.8Very high26 Ų2654.2 Ų54.212%0.12126%0.26CS..EExtended strand (participates in β ladder)trans-85.4111.7168.8-63.6-78.1-152.700109S76 E131 R132 K133 T134 K136S76-E129 PolarHBondContact N-OE2 3.03Å; S76-E129 PolarHBondContact OG-OE1 3.48Å; S76-E129 PolarHBondContact OG-OE2 3.38Å; E129-E131 PolarHBondContact O-N 3.2Å; E129-R132 HydrophobicContact CB-CB 4.23Å; E129-R132 PolarHBondContact O-N 2.93Å; E129-K133 VanDerWaalsContact O-CA 3.3Å; E129-K133 WeakPolarHBondContact O-CA 3.32Å; E129-K133 PolarHBondContact O-N 2.68Å; E129-T134 WeakPolarHBondContact CB-O 3.34Å; E129-T134 PolarHBondContact N-O 3.2Å; E129-K136 HydrophobicContact CG-CD 4.17Å; E129-K136 WeakPolarHBondContact OE1-CD 3.33Å; E129-K136 WeakPolarHBondContact OE1-CE 3.25Å; E129-K136 IonicContact OE1-NZ 2.76Å; E129-K136 PolarHBondContact OE1-NZ 3.18Å; E129-K136 IonicContact OE2-NZ 3.66Å
130M93.8Very high95.5Very high20 Ų2059.1 Ų59.110%0.09928%0.277CS..THydrogen-bonded Turntrans-66.6-41-165.9-62.8-55.8-65.300113.4F70 A73 G75 L77 A112 I128F70-M130 HydrophobicContact CD1-CE 4.45Å; F70-M130 VanDerWaalsContact O-CE 3.3Å; F70-M130 WeakPolarHBondContact O-CE 3.4Å; A73-M130 HydrophobicContact CB-CB 4.44Å; A73-M130 HydrophobicContact CB-CE 4.2Å; A73-M130 HydrophobicContact CB-CG 3.98Å; A73-M130 WeakPolarHBondContact O-CB 3.14Å; G75-M130 WeakPolarHBondContact O-CG 3.48Å; G75-M130 PolarHBondContact O-N 2.93Å; L77-M130 HydrophobicContact CB-SD 4.28Å; L77-M130 HydrophobicContact CD1-CE 3.99Å; L77-M130 HydrophobicContact CD1-CG 3.78Å; L77-M130 HydrophobicContact CD1-SD 3.54Å; L77-M130 VanDerWaalsContact CD1-SD 3.54Å; L77-M130 HydrophobicContact CG-CG 3.69Å; L77-M130 HydrophobicContact CG-SD 3.82Å; A112-M130 HydrophobicContact CB-CE 3.95Å; I128-M130 HydrophobicContact CG1-SD 4.14Å; I128-M130 HydrophobicContact CG2-SD 3.68Å
131E93Very high95.2Very high121 Ų12154.9 Ų54.957%0.56525%0.247SC*.THydrogen-bonded Turntrans-75.1-36.6-178.9-56.692.1151.500112.3S74 G75 E129S74-E131 WeakPolarHBondContact CA-OE1 2.89Å; S74-E131 WeakPolarHBondContact CB-OE1 3.32Å; G75-E131 VanDerWaalsContact N-CD 3.28Å; G75-E131 PolarHBondContact N-OE1 3.34Å; G75-E131 PolarHBondContact N-OE2 3.29Å; E129-E131 PolarHBondContact O-N 3.2Å
132R93.5Very high94.5Very high188 Ų18854.9 Ų54.971%0.70925%0.249SC*.THydrogen-bonded Turntrans-85.8-19.6-179-66.3-171-179.5112.20.7113E129 T134E129-R132 HydrophobicContact CB-CB 4.23Å; E129-R132 PolarHBondContact O-N 2.93Å; R132-T134 HydrophobicContact CB-CG2 4.22Å; R132-T134 WeakPolarHBondContact CB-OG1 3.49Å; R132-T134 PolarHBondContact O-N 3.25Å
133K94.4Very high93.8Very high151 Ų15159.3 Ų59.366%0.65728%0.279SS*.THydrogen-bonded Turntrans54.341.7-171.9-55.3-175.3179.6-174.70112.3P115 E129P115-K133 HydrophobicContact CB-CB 4.36Å; P115-K133 VanDerWaalsContact CB-O 3.25Å; P115-K133 WeakPolarHBondContact CB-O 3.47Å; P115-K133 HydrophobicContact CG-CB 4.22Å; E129-K133 VanDerWaalsContact O-CA 3.3Å; E129-K133 WeakPolarHBondContact O-CA 3.32Å; E129-K133 PolarHBondContact O-N 2.68Å
134T95.6Very high93.4Very high68 Ų6861.2 Ų61.242%0.41730%0.298SS..EExtended strand (participates in β ladder)trans-123.4136.5179.854.10000110.2E129 R132E129-T134 WeakPolarHBondContact CB-O 3.34Å; E129-T134 PolarHBondContact N-O 3.2Å; R132-T134 HydrophobicContact CB-CG2 4.22Å; R132-T134 WeakPolarHBondContact CB-OG1 3.49Å; R132-T134 PolarHBondContact O-N 3.25Å
135G96.1Very high93.3Very high15 Ų1561.1 Ų61.116%0.15530%0.297CS..EExtended strand (participates in β ladder)trans-82.8155.717500000113.4Y125 L127Y125-G135 VanDerWaalsContact CD2-C 3.46Å; Y125-G135 VanDerWaalsContact CD2-CA 3.41Å; Y125-G135 VanDerWaalsContact CG-C 3.49Å; L127-G135 CarbonylContact O-C 3.27Å; L127-G135 WeakPolarHBondContact O-CA 3.36Å
136K95.9Very high93.3Very high77 Ų7759.4 Ų59.434%0.33529%0.291SS..EExtended strand (participates in β ladder)trans-149158.217169179.3-176.7-172.90110.9S76 L127 E129S76-K136 WeakPolarHBondContact OG-CE 3.48Å; S76-K136 PolarHBondContact OG-NZ 3.12Å; L127-K136 WeakPolarHBondContact CA-O 3.31Å; L127-K136 HydrophobicContact CB-CG 3.86Å; L127-K136 WeakPolarHBondContact CB-O 3.12Å; L127-K136 HydrophobicContact CD1-CD 4.48Å; L127-K136 HydrophobicContact CD1-CG 4.15Å; L127-K136 PolarHBondContact N-O 2.7Å; L127-K136 PolarHBondContact O-N 3.28Å; E129-K136 HydrophobicContact CG-CD 4.17Å; E129-K136 WeakPolarHBondContact OE1-CD 3.33Å; E129-K136 WeakPolarHBondContact OE1-CE 3.25Å; E129-K136 IonicContact OE1-NZ 2.76Å; E129-K136 PolarHBondContact OE1-NZ 3.18Å; E129-K136 IonicContact OE2-NZ 3.66Å
137N96.8Very high93.2Very high21 Ų2159.3 Ų59.311%0.11229%0.29CS..  trans-98.3163.1171.7-76.5-28.2000111.7Y125 A126 F139 G144 S145 S146Y125-N137 WeakPolarHBondContact CA-OD1 3.25Å; A126-N137 WeakPolarHBondContact CB-OD1 3.41Å; A126-N137 PolarHBondContact N-OD1 2.99Å; N137-F139 PolarHBondContact O-N 3.32Å; N137-G144 PolarHBondContact ND2-O 3.02Å; N137-S145 PolarHBondContact ND2-O 2.87Å; N137-S146 PolarHBondContact ND2-N 2.77Å; N137-S146 VanDerWaalsContact ND2-N 3.16Å; N137-S146 PolarHBondContact ND2-OG 3.02Å; N137-S146 VanDerWaalsContact ND2-OG 3.11Å; N137-S146 PolarHBondContact OD1-OG 2.92Å
138W94.1Very high93.2Very high62 Ų6258.8 Ų58.824%0.23529%0.287CS..  trans-57.5135172.3-56.3108.1000110.6L127 W140 A141 E150L127-W138 HydrophobicContact CD1-CD2 4.12Å; L127-W138 HydrophobicContact CD1-CE3 3.78Å; L127-W138 HydrophobicContact CD1-CH2 4.26Å; L127-W138 HydrophobicContact CD1-CZ3 3.85Å; L127-W138 HydrophobicContact CD2-CE3 4.49Å; L127-W138 HydrophobicContact CD2-CH2 3.58Å; L127-W138 HydrophobicContact CD2-CZ2 3.57Å; L127-W138 HydrophobicContact CD2-CZ3 4.05Å; L127-W138 HydrophobicContact CG-CD2 4.37Å; L127-W138 HydrophobicContact CG-CE3 4.43Å; L127-W138 HydrophobicContact CG-CH2 4.36Å; L127-W138 HydrophobicContact CG-CZ2 4.27Å; L127-W138 HydrophobicContact CG-CZ3 4.42Å; W138-W140 HydrophobicContact CB-CD2 4.03Å; W138-W140 HydrophobicContact CB-CG 4.29Å; W138-W140 HydrophobicContact CB-CZ2 3.89Å; W138-W140 AromaticContact CD1-CZ2 3.85Å; W138-W140 HydrophobicContact CD2-CZ2 4.25Å; W138-W140 AromaticContact CG-CE2 3.86Å; W138-W140 AromaticContact CG-CZ2 3.73Å; W138-W140 HydrophobicContact CG-CZ2 3.73Å; W138-W140 AromaticContact CG-NE1 3.96Å; W138-W140 PolarHBondContact O-N 3.03Å; W138-W140 VanDerWaalsContact O-N 3.14Å; W138-A141 HydrophobicContact CB-CB 4.14Å; W138-A141 WeakPolarHBondContact O-CB 3.45Å; W138-A141 PolarHBondContact O-N 3.45Å; W138-E150 PolarHBondContact NE1-OE1 3.49Å; W138-E150 PolarHBondContact NE1-OE2 3.49Å
139F92.2Very high93.1Very high196 Ų19659 Ų5986%0.8629%0.289SS*.THydrogen-bonded Turntrans-61.6-26.7-176.874.2-91000113.1N137N137-F139 PolarHBondContact O-N 3.32Å
140W90.8Very high93.2Very high122 Ų12258.9 Ų58.946%0.46229%0.288SS..THydrogen-bonded Turntrans-86.6-13.4179.156.9-103.7000112.9W138 S142 I147 L212W138-W140 HydrophobicContact CB-CD2 4.03Å; W138-W140 HydrophobicContact CB-CG 4.29Å; W138-W140 HydrophobicContact CB-CZ2 3.89Å; W138-W140 AromaticContact CD1-CZ2 3.85Å; W138-W140 HydrophobicContact CD2-CZ2 4.25Å; W138-W140 AromaticContact CG-CE2 3.86Å; W138-W140 AromaticContact CG-CZ2 3.73Å; W138-W140 HydrophobicContact CG-CZ2 3.73Å; W138-W140 AromaticContact CG-NE1 3.96Å; W138-W140 PolarHBondContact O-N 3.03Å; W138-W140 VanDerWaalsContact O-N 3.14Å; W140-S142 PolarHBondContact O-N 2.97Å; W140-I147 HydrophobicContact CH2-CD1 3.41Å; W140-I147 VanDerWaalsContact CH2-CD1 3.41Å; W140-I147 HydrophobicContact CZ2-CD1 4.19Å; W140-I147 HydrophobicContact CZ3-CD1 3.99Å; W140-L212 HydrophobicContact CH2-CD2 4.21Å
141A88.9Confident93.4Very high3 Ų358.1 Ų58.13%0.02528%0.284CS..SBendtrans-69133178.900000109.7W138 S143 G144 S145 Y194W138-A141 HydrophobicContact CB-CB 4.14Å; W138-A141 WeakPolarHBondContact O-CB 3.45Å; W138-A141 PolarHBondContact O-N 3.45Å; A141-S143 PolarHBondContact O-N 3.24Å; A141-S143 VanDerWaalsContact O-N 3.14Å; A141-G144 PolarHBondContact O-N 3.25Å; A141-S145 VanDerWaalsContact CB-O 3.3Å; A141-S145 WeakPolarHBondContact CB-O 2.93Å; A141-Y194 HydrophobicContact CB-CE1 4.4Å
142S81Confident93.6Very high23 Ų2352.6 Ų52.616%0.16126%0.259CS..G310 helixtrans-47.8121.1-174.1-179.90000111.6W140 G144 S145W140-S142 PolarHBondContact O-N 2.97Å; S142-G144 PolarHBondContact O-N 3.49Å; S142-S145 WeakPolarHBondContact O-CB 3.47Å; S142-S145 PolarHBondContact O-N 3.24Å; S142-S145 PolarHBondContact O-OG 2.79Å
143S83.1Confident93.9Very high99 Ų9943.6 Ų43.669%0.69223%0.226SC*.G310 helixtrans5232.8176.3-580000114.6A141 S145 N196A141-S143 PolarHBondContact O-N 3.24Å; A141-S143 VanDerWaalsContact O-N 3.14Å; S143-S145 VanDerWaalsContact C-N 3.28Å; S143-S145 PolarHBondContact O-N 3.48Å; S143-N196 PolarHBondContact O-ND2 3.45Å
144G89.6Confident94.1Very high39 Ų3936.5 Ų36.540%0.40220%0.195SC..G310 helixtrans64.932-177.500000113.1N137 A141 S142N137-G144 PolarHBondContact ND2-O 3.02Å; A141-G144 PolarHBondContact O-N 3.25Å; S142-G144 PolarHBondContact O-N 3.49Å
145S96.5Very high94.2Very high1 Ų133.6 Ų33.61%0.00718%0.177CC..PPolyproline II helixtrans-78.4152.8-179.4-63.10000113N137 A141 S142 S143 V195N137-S145 PolarHBondContact ND2-O 2.87Å; A141-S145 VanDerWaalsContact CB-O 3.3Å; A141-S145 WeakPolarHBondContact CB-O 2.93Å; S142-S145 WeakPolarHBondContact O-CB 3.47Å; S142-S145 PolarHBondContact O-N 3.24Å; S142-S145 PolarHBondContact O-OG 2.79Å; S143-S145 VanDerWaalsContact C-N 3.28Å; S143-S145 PolarHBondContact O-N 3.48Å; S145-V195 CarbonylContact C-O 3.5Å; S145-V195 VanDerWaalsContact CA-O 3.26Å; S145-V195 WeakPolarHBondContact CA-O 3.37Å; S145-V195 VanDerWaalsContact CB-O 3.27Å; S145-V195 WeakPolarHBondContact CB-O 3.41Å
146S97.8Very high94.3Very high1 Ų132.9 Ų32.91%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-81.5150.2166-54.80000109.4P124 N137 V195P124-S146 WeakPolarHBondContact O-CB 3.43Å; P124-S146 PolarHBondContact O-OG 3.36Å; N137-S146 PolarHBondContact ND2-N 2.77Å; N137-S146 VanDerWaalsContact ND2-N 3.16Å; N137-S146 PolarHBondContact ND2-OG 3.02Å; N137-S146 VanDerWaalsContact ND2-OG 3.11Å; N137-S146 PolarHBondContact OD1-OG 2.92Å; S146-V195 PolarHBondContact N-O 3.33Å; S146-V195 PolarHBondContact O-N 3.34Å
147I96.3Very high94.5Very high1 Ų129.2 Ų29.21%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-95.7134.4-173.5-67.7160.4000111W140 A149 E150 F151 N193 Y194 L212W140-I147 HydrophobicContact CH2-CD1 3.41Å; W140-I147 VanDerWaalsContact CH2-CD1 3.41Å; W140-I147 HydrophobicContact CZ2-CD1 4.19Å; W140-I147 HydrophobicContact CZ3-CD1 3.99Å; I147-A149 PolarHBondContact O-N 2.96Å; I147-E150 HydrophobicContact CB-CB 4.21Å; I147-E150 HydrophobicContact CB-CG 3.93Å; I147-E150 WeakPolarHBondContact CD1-OE1 3.42Å; I147-E150 HydrophobicContact CG2-CG 4.15Å; I147-E150 WeakPolarHBondContact O-CA 3.28Å; I147-E150 WeakPolarHBondContact O-CB 3.15Å; I147-E150 PolarHBondContact O-N 2.87Å; I147-F151 WeakPolarHBondContact O-CD1 3.07Å; I147-F151 WeakPolarHBondContact O-CE1 3.4Å; I147-F151 PolarHBondContact O-N 3.08Å; I147-N193 CarbonylContact C-O 3.57Å; I147-N193 VanDerWaalsContact CA-O 3.25Å; I147-N193 WeakPolarHBondContact CA-O 3Å; I147-Y194 HydrophobicContact CG1-CD1 4.41Å; I147-Y194 HydrophobicContact CG1-CE1 4.24Å; I147-L212 HydrophobicContact CD1-CD2 4.18Å; I147-L212 HydrophobicContact CG2-CB 3.81Å; I147-L212 HydrophobicContact CG2-CD2 3.99Å; I147-L212 VanDerWaalsContact CG2-O 3.29Å; I147-L212 WeakPolarHBondContact CG2-O 3.18Å
148L95.5Very high94.5Very high0 Ų028.2 Ų28.20%015%0.148CC..Hα-helixtrans-54-49.4-173.7179.666.4000113.6E150 F151 G152 L181 Y191 N193 F216L148-E150 PolarHBondContact O-N 3.47Å; L148-F151 VanDerWaalsContact CA-CE1 3.41Å; L148-F151 HydrophobicContact CB-CE1 4.35Å; L148-F151 HydrophobicContact CB-CZ 4.28Å; L148-F151 HydrophobicContact CD1-CE2 3.97Å; L148-F151 HydrophobicContact CD1-CZ 3.74Å; L148-G152 VanDerWaalsContact O-CA 3.32Å; L148-G152 WeakPolarHBondContact O-CA 3.45Å; L148-G152 PolarHBondContact O-N 3.14Å; L148-L181 HydrophobicContact CD1-CD1 4.25Å; L148-L181 HydrophobicContact CD1-CD2 4.05Å; L148-Y191 HydrophobicContact CD2-CG 4.45Å; L148-N193 PolarHBondContact N-O 3.1Å; L148-F216 HydrophobicContact CD1-CD1 3.94Å; L148-F216 HydrophobicContact CD1-CD2 4.2Å; L148-F216 HydrophobicContact CD1-CE1 4.16Å; L148-F216 HydrophobicContact CD1-CE2 4.41Å; L148-F216 HydrophobicContact CD1-CG 3.94Å; L148-F216 HydrophobicContact CD1-CZ 4.37Å; L148-F216 HydrophobicContact CD2-CD1 3.75Å; L148-F216 HydrophobicContact CD2-CE1 4.25Å; L148-F216 HydrophobicContact CD2-CG 4.32Å; L148-F216 HydrophobicContact CG-CB 4.05Å; L148-F216 HydrophobicContact CG-CD1 3.84Å; L148-F216 HydrophobicContact CG-CE1 4.47Å; L148-F216 HydrophobicContact CG-CG 3.89Å
149A94.5Very high94.7Very high4 Ų426.5 Ų26.53%0.03314%0.142CC..Hα-helixtrans-61.8-29.4175.100000112.6F80 I147 T153 L212F80-A149 WeakPolarHBondContact CE2-O 3.41Å; I147-A149 PolarHBondContact O-N 2.96Å; A149-T153 WeakPolarHBondContact O-CB 3.3Å; A149-T153 PolarHBondContact O-OG1 3.15Å; A149-L212 VanDerWaalsContact CB-C 3.45Å; A149-L212 WeakPolarHBondContact CB-O 3.3Å; A149-L212 PolarHBondContact N-O 3.31Å
150E97.9Very high94.9Very high24 Ų2417.1 Ų17.111%0.11210%0.101CC..Hα-helixtrans-78.7-50.5-178.4-66-179-178.300111.9F80 A126 W138 I147 L148 L154F80-E150 HydrophobicContact CB-CB 3.79Å; F80-E150 HydrophobicContact CB-CG 3.9Å; F80-E150 HydrophobicContact CD1-CB 4.45Å; F80-E150 HydrophobicContact CD1-CG 3.88Å; F80-E150 HydrophobicContact CG-CB 4.07Å; F80-E150 HydrophobicContact CG-CG 4Å; A126-E150 WeakPolarHBondContact CA-OE2 3.46Å; A126-E150 WeakPolarHBondContact CB-OE2 3.3Å; W138-E150 PolarHBondContact NE1-OE1 3.49Å; W138-E150 PolarHBondContact NE1-OE2 3.49Å; I147-E150 HydrophobicContact CB-CB 4.21Å; I147-E150 HydrophobicContact CB-CG 3.93Å; I147-E150 WeakPolarHBondContact CD1-OE1 3.42Å; I147-E150 HydrophobicContact CG2-CG 4.15Å; I147-E150 WeakPolarHBondContact O-CA 3.28Å; I147-E150 WeakPolarHBondContact O-CB 3.15Å; I147-E150 PolarHBondContact O-N 2.87Å; L148-E150 PolarHBondContact O-N 3.47Å; E150-L154 WeakPolarHBondContact O-CG 3.43Å
151F98Very high95.2Very high5 Ų511.3 Ų11.32%0.0228%0.079CC..Hα-helixtrans-83.1-22.4-177.169.3-105.6000113.3I123 P124 I147 L148 V177 L181 V195I123-F151 HydrophobicContact CG2-CB 4.02Å; I123-F151 HydrophobicContact CG2-CD1 3.96Å; I123-F151 HydrophobicContact CG2-CD2 4.01Å; I123-F151 HydrophobicContact CG2-CE1 4.45Å; I123-F151 HydrophobicContact CG2-CE2 4.47Å; I123-F151 HydrophobicContact CG2-CG 3.75Å; P124-F151 HydrophobicContact CG-CB 3.75Å; I147-F151 WeakPolarHBondContact O-CD1 3.07Å; I147-F151 WeakPolarHBondContact O-CE1 3.4Å; I147-F151 PolarHBondContact O-N 3.08Å; L148-F151 VanDerWaalsContact CA-CE1 3.41Å; L148-F151 HydrophobicContact CB-CE1 4.35Å; L148-F151 HydrophobicContact CB-CZ 4.28Å; L148-F151 HydrophobicContact CD1-CE2 3.97Å; L148-F151 HydrophobicContact CD1-CZ 3.74Å; F151-V177 HydrophobicContact CD2-CG1 3.74Å; F151-V177 HydrophobicContact CE2-CG1 4.29Å; F151-L181 HydrophobicContact CE2-CD1 4Å; F151-L181 HydrophobicContact CE2-CD2 3.92Å; F151-L181 HydrophobicContact CE2-CG 4.2Å; F151-L181 HydrophobicContact CZ-CD2 4.3Å; F151-V195 HydrophobicContact CE1-CB 4.1Å; F151-V195 HydrophobicContact CE1-CG2 4.04Å; F151-V195 HydrophobicContact CZ-CB 4.09Å; F151-V195 HydrophobicContact CZ-CG2 3.63Å
152G97.9Very high95.5Very high4 Ų411.8 Ų11.84%0.0418%0.082CC..Hα-helixtrans-85-14.4-179.200000114.6L148L148-G152 VanDerWaalsContact O-CA 3.32Å; L148-G152 WeakPolarHBondContact O-CA 3.45Å; L148-G152 PolarHBondContact O-N 3.14Å
153T98.6Very high96.2Very high0 Ų012 Ų120%08%0.082CC..SBendtrans-114.149.2-171.1-51.90000111F80 I84 A149 S215 F216 Y219 T425F80-T153 HydrophobicContact CE2-CG2 3.57Å; F80-T153 HydrophobicContact CZ-CG2 4.29Å; I84-T153 HydrophobicContact CG2-CG2 4.2Å; I84-T153 VanDerWaalsContact CG2-O 3.32Å; I84-T153 WeakPolarHBondContact CG2-O 3.44Å; A149-T153 WeakPolarHBondContact O-CB 3.3Å; A149-T153 PolarHBondContact O-OG1 3.15Å; T153-S215 WeakPolarHBondContact CG2-OG 3.46Å; T153-S215 PolarHBondContact OG1-O 3.18Å; T153-S215 PolarHBondContact OG1-OG 2.84Å; T153-F216 WeakPolarHBondContact OG1-CA 3.43Å; T153-F216 PolarHBondContact OG1-N 3.29Å; T153-F216 VanDerWaalsContact OG1-N 3.1Å; T153-Y219 HydrophobicContact CG2-CD1 3.64Å; T153-Y219 HydrophobicContact CG2-CD2 3.49Å; T153-Y219 VanDerWaalsContact CG2-CD2 3.49Å; T153-Y219 HydrophobicContact CG2-CE1 3.47Å; T153-Y219 VanDerWaalsContact CG2-CE1 3.47Å; T153-Y219 HydrophobicContact CG2-CE2 3.31Å; T153-Y219 HydrophobicContact CG2-CG 3.62Å; T153-T425 HydrophobicContact CG2-CG2 4.15Å
154L98.8Very high96.7Very high1 Ų17.2 Ų7.21%0.0055%0.049CC..  trans-121.3-5.3177.8-52.5176.4000112V79 F80 T83 F117 P124 E150 F158 V174V79-L154 HydrophobicContact CG1-CD1 4.28Å; F80-L154 HydrophobicContact CD2-CD2 4.43Å; T83-L154 HydrophobicContact CG2-CB 4.23Å; T83-L154 HydrophobicContact CG2-CD2 3.77Å; F117-L154 HydrophobicContact CE1-CD1 4.29Å; F117-L154 HydrophobicContact CZ-CD1 3.72Å; P124-L154 HydrophobicContact CG-CD1 3.93Å; E150-L154 WeakPolarHBondContact O-CG 3.43Å; L154-F158 WeakPolarHBondContact O-CB 3.42Å; L154-F158 PolarHBondContact O-N 3.45Å; L154-V174 HydrophobicContact CB-CG1 3.8Å
155H98.3Very high97Very high8 Ų85.9 Ų5.94%0.0373%0.033CC..Hα-helixtrans-70.8-44.5-159.6-156.2100.7000112.7E157 E159 F171 V174H155-E157 PolarHBondContact O-N 2.93Å; H155-E159 IonicContact CD2-OE2 3.83Å; H155-E159 IonicContact NE2-OE2 3.35Å; H155-E159 WeakPolarHBondContact O-CB 3.18Å; H155-E159 PolarHBondContact O-N 3.41Å; H155-F171 AromaticContact NE2-CE2 3.76Å; H155-V174 HydrophobicContact CB-CB 4.43Å
156L98.4Very high96.8Very high0 Ų010.7 Ų10.70%06%0.059CC..Hα-helixtrans-62-46.6-175.6-56.9178.7000111.2Y160 Y219 K222 V226 N424L156-Y160 WeakPolarHBondContact O-CB 3.35Å; L156-Y160 PolarHBondContact O-N 2.91Å; L156-Y219 HydrophobicContact CB-CE1 4.17Å; L156-Y219 HydrophobicContact CD1-CD1 4.08Å; L156-Y219 HydrophobicContact CD1-CD2 4.2Å; L156-Y219 HydrophobicContact CD1-CE1 3.87Å; L156-Y219 HydrophobicContact CD1-CE2 4Å; L156-Y219 HydrophobicContact CD1-CG 4.26Å; L156-Y219 HydrophobicContact CG-CD1 3.79Å; L156-Y219 HydrophobicContact CG-CE1 3.78Å; L156-Y219 HydrophobicContact CG-CG 4.31Å; L156-K222 HydrophobicContact CD1-CB 3.94Å; L156-K222 HydrophobicContact CD2-CB 4.31Å; L156-V226 HydrophobicContact CD2-CB 4.28Å; L156-V226 HydrophobicContact CD2-CG1 3.7Å; L156-N424 HydrophobicContact CD1-CB 4.03Å
157E98.6Very high96.7Very high0 Ų013.2 Ų13.20%07%0.072CC..Hα-helixtrans-65.5-50.1-178.2-66.270.8-157.900111.1T83 V87 A88 L91 H155 Y160 L161 Y219 N424 F430T83-E157 HydrophobicContact CG2-CB 3.63Å; T83-E157 HydrophobicContact CG2-CG 3.76Å; V87-E157 HydrophobicContact CB-CB 4.31Å; V87-E157 HydrophobicContact CB-CG 4.43Å; V87-E157 HydrophobicContact CG1-CB 3.89Å; V87-E157 HydrophobicContact CG1-CG 4.43Å; A88-E157 HydrophobicContact CB-CG 3.76Å; L91-E157 WeakPolarHBondContact CD1-O 3.34Å; H155-E157 PolarHBondContact O-N 2.93Å; E157-Y160 PolarHBondContact O-N 3.49Å; E157-L161 VanDerWaalsContact O-CB 3.23Å; E157-L161 WeakPolarHBondContact O-CB 3.34Å; E157-L161 PolarHBondContact O-N 3.09Å; E157-Y219 PolarHBondContact OE1-OH 3.18Å; E157-Y219 WeakPolarHBondContact OE2-CE1 3.44Å; E157-N424 PolarHBondContact OE1-ND2 3.02Å; E157-F430 HydrophobicContact CG-CZ 4.03Å
158F98.5Very high96.7Very high0 Ų016.4 Ų16.40%09%0.093CC..Hα-helixtrans-72.4-35.9-175.5-84.2-135.8000111.9T83 L114 F117 L154 S162 Y170 K173 V174T83-F158 HydrophobicContact CG2-CD2 3.8Å; T83-F158 HydrophobicContact CG2-CE2 3.61Å; L114-F158 HydrophobicContact CD2-CE1 4.43Å; F117-F158 AromaticContact CE2-CE1 3.68Å; F117-F158 HydrophobicContact CE2-CE1 3.68Å; F117-F158 AromaticContact CE2-CZ 3.98Å; F117-F158 HydrophobicContact CE2-CZ 3.98Å; F117-F158 HydrophobicContact CZ-CD1 4.37Å; F117-F158 AromaticContact CZ-CE1 3.63Å; F117-F158 HydrophobicContact CZ-CE1 3.63Å; F117-F158 HydrophobicContact CZ-CZ 4.1Å; L154-F158 WeakPolarHBondContact O-CB 3.42Å; L154-F158 PolarHBondContact O-N 3.45Å; F158-S162 PolarHBondContact O-N 3.03Å; F158-S162 VanDerWaalsContact O-N 3.09Å; F158-S162 PolarHBondContact O-OG 2.91Å; F158-Y170 WeakPolarHBondContact CD1-O 3.27Å; F158-Y170 WeakPolarHBondContact O-CB 3.42Å; F158-K173 HydrophobicContact CD1-CB 4.43Å; F158-V174 HydrophobicContact CB-CB 4.38Å; F158-V174 HydrophobicContact CB-CG1 3.64Å; F158-V174 HydrophobicContact CB-CG2 3.8Å; F158-V174 HydrophobicContact CD1-CG1 3.75Å; F158-V174 HydrophobicContact CG-CG1 3.8Å
159E96.9Very high96.8Very high25 Ų2518.7 Ų18.712%0.11711%0.107CC..Hα-helixtrans-62.2-53.1172-177179-178.400110.4H155 L161 S162 V163 F171 T227H155-E159 IonicContact CD2-OE2 3.83Å; H155-E159 IonicContact NE2-OE2 3.35Å; H155-E159 WeakPolarHBondContact O-CB 3.18Å; H155-E159 PolarHBondContact O-N 3.41Å; E159-L161 VanDerWaalsContact C-N 3.33Å; E159-L161 PolarHBondContact O-N 3.32Å; E159-S162 WeakPolarHBondContact O-CB 3.28Å; E159-S162 PolarHBondContact O-N 3.41Å; E159-S162 VanDerWaalsContact O-N 3.12Å; E159-V163 WeakPolarHBondContact O-CG2 3.41Å; E159-V163 PolarHBondContact O-N 3.38Å; E159-F171 HydrophobicContact CB-CD2 3.84Å; E159-F171 HydrophobicContact CB-CE2 4.38Å; E159-F171 HydrophobicContact CG-CD2 3.75Å; E159-F171 HydrophobicContact CG-CE2 4.02Å; E159-T227 WeakPolarHBondContact OE1-CG2 3.29Å
160Y97.1Very high97Very high0 Ų018.7 Ų18.70%011%0.106CC..Hα-helixtrans-62.3-42.3-177.9-170.6-153.8000111.8L91 A95 L156 E157 S162 V163 L164 F430 P431 L434L91-Y160 HydrophobicContact CB-CD1 3.89Å; L91-Y160 HydrophobicContact CB-CE1 4.16Å; L91-Y160 HydrophobicContact CD1-CD1 4.02Å; L91-Y160 HydrophobicContact CD1-CG 4.48Å; L91-Y160 HydrophobicContact CD2-CD1 4.38Å; L91-Y160 HydrophobicContact CG-CD1 4.33Å; A95-Y160 HydrophobicContact CB-CE1 4.36Å; L156-Y160 WeakPolarHBondContact O-CB 3.35Å; L156-Y160 PolarHBondContact O-N 2.91Å; E157-Y160 PolarHBondContact O-N 3.49Å; Y160-S162 VanDerWaalsContact C-N 3.28Å; Y160-S162 PolarHBondContact O-N 3.13Å; Y160-V163 PolarHBondContact O-N 3.14Å; Y160-L164 HydrophobicContact CD1-CD1 4.21Å; Y160-L164 HydrophobicContact CD2-CD1 3.97Å; Y160-L164 HydrophobicContact CD2-CD2 4.22Å; Y160-L164 HydrophobicContact CD2-CG 3.79Å; Y160-L164 HydrophobicContact CE1-CD1 3.94Å; Y160-L164 HydrophobicContact CE2-CD1 3.7Å; Y160-L164 HydrophobicContact CE2-CD2 3.59Å; Y160-L164 HydrophobicContact CE2-CG 3.61Å; Y160-L164 HydrophobicContact CG-CD1 4.23Å; Y160-L164 HydrophobicContact CG-CG 4.45Å; Y160-L164 WeakPolarHBondContact O-CG 3.4Å; Y160-L164 PolarHBondContact O-N 2.85Å; Y160-F430 AromaticContact CD1-CD1 3.41Å; Y160-F430 HydrophobicContact CD1-CD1 3.41Å; Y160-F430 VanDerWaalsContact CD1-CD1 3.41Å; Y160-F430 AromaticContact CD1-CE1 3.58Å; Y160-F430 HydrophobicContact CD1-CE1 3.58Å; Y160-F430 HydrophobicContact CE1-CD1 4.11Å; Y160-F430 HydrophobicContact CE1-CE1 4.49Å; Y160-F430 HydrophobicContact CG-CD1 4.05Å; Y160-F430 HydrophobicContact CG-CE1 4.27Å; Y160-P431 HydrophobicContact CE1-CG 4.45Å; Y160-P431 HydrophobicContact CE2-CG 4.32Å; Y160-P431 WeakPolarHBondContact OH-CG 2.97Å; Y160-L434 HydrophobicContact CD1-CD2 4.14Å; Y160-L434 HydrophobicContact CD2-CB 3.97Å; Y160-L434 HydrophobicContact CD2-CD1 4.4Å; Y160-L434 HydrophobicContact CD2-CD2 3.51Å; Y160-L434 HydrophobicContact CD2-CG 4.15Å; Y160-L434 HydrophobicContact CE1-CD2 4.39Å; Y160-L434 HydrophobicContact CE2-CB 4.47Å; Y160-L434 HydrophobicContact CE2-CD2 3.78Å; Y160-L434 HydrophobicContact CG-CD1 4.31Å; Y160-L434 HydrophobicContact CG-CD2 3.7Å; Y160-L434 HydrophobicContact CG-CG 4.44Å
161L97.1Very high97Very high0 Ų021.1 Ų21.10%012%0.116CC..Hα-helixtrans-58.1-42.1175.9-17263.2000111.7V87 L91 V103 A106 A110 E157 E159 V163 L164 T165 Y170V87-L161 HydrophobicContact CG1-CD2 4.46Å; L91-L161 HydrophobicContact CD1-CB 4.14Å; L91-L161 HydrophobicContact CD2-CD1 3.97Å; V103-L161 HydrophobicContact CG1-CD1 4.2Å; A106-L161 HydrophobicContact CB-CD1 3.94Å; A110-L161 HydrophobicContact CB-CD2 3.4Å; A110-L161 VanDerWaalsContact CB-CD2 3.4Å; E157-L161 VanDerWaalsContact O-CB 3.23Å; E157-L161 WeakPolarHBondContact O-CB 3.34Å; E157-L161 PolarHBondContact O-N 3.09Å; E159-L161 VanDerWaalsContact C-N 3.33Å; E159-L161 PolarHBondContact O-N 3.32Å; L161-V163 PolarHBondContact O-N 3.45Å; L161-L164 PolarHBondContact O-N 2.89Å; L161-T165 HydrophobicContact CD1-CG2 3.78Å; L161-T165 HydrophobicContact CG-CG2 4.13Å; L161-T165 VanDerWaalsContact O-CB 3.32Å; L161-T165 WeakPolarHBondContact O-CB 3.39Å; L161-T165 WeakPolarHBondContact O-CG2 3.44Å; L161-T165 PolarHBondContact O-N 3.04Å; L161-T165 PolarHBondContact O-OG1 3.4Å; L161-Y170 HydrophobicContact CB-CD2 4.2Å; L161-Y170 HydrophobicContact CD2-CD1 3.9Å; L161-Y170 HydrophobicContact CD2-CD2 3.69Å; L161-Y170 HydrophobicContact CD2-CE1 3.86Å; L161-Y170 HydrophobicContact CD2-CE2 3.62Å; L161-Y170 HydrophobicContact CD2-CG 3.82Å; L161-Y170 HydrophobicContact CG-CD2 3.72Å; L161-Y170 HydrophobicContact CG-CE2 3.72Å; L161-Y170 HydrophobicContact CG-CG 4.28Å
162S96.3Very high97Very high12 Ų1226.2 Ų26.28%0.08414%0.14CC..Hα-helixtrans-64-40.9177.8-57.60000112.5F158 E159 Y160 N166 N167 Y170 F171F158-S162 PolarHBondContact O-N 3.03Å; F158-S162 VanDerWaalsContact O-N 3.09Å; F158-S162 PolarHBondContact O-OG 2.91Å; E159-S162 WeakPolarHBondContact O-CB 3.28Å; E159-S162 PolarHBondContact O-N 3.41Å; E159-S162 VanDerWaalsContact O-N 3.12Å; Y160-S162 VanDerWaalsContact C-N 3.28Å; Y160-S162 PolarHBondContact O-N 3.13Å; S162-N166 VanDerWaalsContact O-CA 3.31Å; S162-N166 WeakPolarHBondContact O-CA 3.47Å; S162-N166 PolarHBondContact O-N 3.49Å; S162-N167 VanDerWaalsContact CA-O 3.27Å; S162-N167 WeakPolarHBondContact CA-O 3.38Å; S162-N167 VanDerWaalsContact CB-O 3.22Å; S162-N167 WeakPolarHBondContact CB-O 3Å; S162-N167 PolarHBondContact O-N 3.44Å; S162-N167 PolarHBondContact OG-O 3.34Å; S162-Y170 WeakPolarHBondContact OG-CB 3.44Å; S162-F171 WeakPolarHBondContact OG-CB 3.36Å; S162-F171 PolarHBondContact OG-N 3.21Å
163V93.8Very high97Very high27 Ų2728.7 Ų28.716%0.16415%0.15CC..Hα-helixtrans-61-48.4176.3173.10000110.8E159 Y160 L161 L434E159-V163 WeakPolarHBondContact O-CG2 3.41Å; E159-V163 PolarHBondContact O-N 3.38Å; Y160-V163 PolarHBondContact O-N 3.14Å; L161-V163 PolarHBondContact O-N 3.45Å; V163-L434 WeakPolarHBondContact CG1-O 3.38Å
164L95Very high97Very high0 Ų028.9 Ų28.90%015%0.151CC..Hα-helixtrans-70.9-38.5-175.3-65.3-179.9000113.2L91 Y94 V103 Y160 L161 I441L91-L164 HydrophobicContact CD2-CD1 3.77Å; Y94-L164 HydrophobicContact CD1-CD1 3.42Å; Y94-L164 VanDerWaalsContact CD1-CD1 3.42Å; Y94-L164 HydrophobicContact CD1-CD2 4.16Å; Y94-L164 HydrophobicContact CD1-CG 4.42Å; Y94-L164 HydrophobicContact CE1-CD1 3.54Å; Y94-L164 HydrophobicContact CE1-CD2 3.37Å; Y94-L164 HydrophobicContact CE1-CG 4.07Å; Y94-L164 HydrophobicContact CG-CD1 4.28Å; V103-L164 HydrophobicContact CG1-CB 4.02Å; V103-L164 HydrophobicContact CG1-CD1 4.47Å; V103-L164 HydrophobicContact CG2-CB 4.48Å; V103-L164 HydrophobicContact CG2-CD1 3.82Å; Y160-L164 HydrophobicContact CD1-CD1 4.21Å; Y160-L164 HydrophobicContact CD2-CD1 3.97Å; Y160-L164 HydrophobicContact CD2-CD2 4.22Å; Y160-L164 HydrophobicContact CD2-CG 3.79Å; Y160-L164 HydrophobicContact CE1-CD1 3.94Å; Y160-L164 HydrophobicContact CE2-CD1 3.7Å; Y160-L164 HydrophobicContact CE2-CD2 3.59Å; Y160-L164 HydrophobicContact CE2-CG 3.61Å; Y160-L164 HydrophobicContact CG-CD1 4.23Å; Y160-L164 HydrophobicContact CG-CG 4.45Å; Y160-L164 WeakPolarHBondContact O-CG 3.4Å; Y160-L164 PolarHBondContact O-N 2.85Å; L161-L164 PolarHBondContact O-N 2.89Å; L164-I441 WeakPolarHBondContact O-CB 3.38Å; L164-I441 PolarHBondContact O-N 2.96Å
165T95.3Very high96.9Very high10 Ų1031.3 Ų31.36%0.06116%0.164CC..Hα-helixtrans-85.8-13.2-177.960.10000113V103 S107 L161 N167 F444V103-T165 HydrophobicContact CG1-CG2 3.74Å; S107-T165 WeakPolarHBondContact OG-CG2 3.18Å; L161-T165 HydrophobicContact CD1-CG2 3.78Å; L161-T165 HydrophobicContact CG-CG2 4.13Å; L161-T165 VanDerWaalsContact O-CB 3.32Å; L161-T165 WeakPolarHBondContact O-CB 3.39Å; L161-T165 WeakPolarHBondContact O-CG2 3.44Å; L161-T165 PolarHBondContact O-N 3.04Å; L161-T165 PolarHBondContact O-OG1 3.4Å; T165-N167 PolarHBondContact O-N 3.09Å; T165-N167 WeakPolarHBondContact OG1-CB 3.1Å; T165-N167 PolarHBondContact OG1-N 3.46Å; T165-F444 HydrophobicContact CG2-CE2 4.23Å; T165-F444 HydrophobicContact CG2-CZ 3.91Å
166N93Very high96.9Very high102 Ų10236 Ų3655%0.54518%0.184SC..THydrogen-bonded Turntrans52.829.6-167.3-165.563000112.8S162S162-N166 VanDerWaalsContact O-CA 3.31Å; S162-N166 WeakPolarHBondContact O-CA 3.47Å; S162-N166 PolarHBondContact O-N 3.49Å
167N95.3Very high96.9Very high54 Ų5436.2 Ų36.229%0.28919%0.186SC..  trans-109.3111174.7179.73.8000108.8S162 T165 V169 Y170S162-N167 VanDerWaalsContact CA-O 3.27Å; S162-N167 WeakPolarHBondContact CA-O 3.38Å; S162-N167 VanDerWaalsContact CB-O 3.22Å; S162-N167 WeakPolarHBondContact CB-O 3Å; S162-N167 PolarHBondContact O-N 3.44Å; S162-N167 PolarHBondContact OG-O 3.34Å; T165-N167 PolarHBondContact O-N 3.09Å; T165-N167 WeakPolarHBondContact OG1-CB 3.1Å; T165-N167 PolarHBondContact OG1-N 3.46Å; N167-V169 PolarHBondContact O-N 2.88Å; N167-V169 WeakPolarHBondContact OD1-CB 3.37Å; N167-V169 VanDerWaalsContact OD1-CG2 3.28Å; N167-V169 WeakPolarHBondContact OD1-CG2 3.4Å; N167-V169 PolarHBondContact OD1-N 3.44Å; N167-Y170 HydrophobicContact CB-CE2 4.21Å
168P95.7Very high96.9Very high68 Ų6836.5 Ų36.544%0.44219%0.187SC..THydrogen-bonded Turntrans-72.1-14.1-173.131.2-36.9000113.5Y170 F171 E172P168-Y170 VanDerWaalsContact C-N 3.29Å; P168-Y170 PolarHBondContact O-N 3Å; P168-F171 PolarHBondContact O-N 3.14Å; P168-E172 HydrophobicContact CB-CG 4.32Å; P168-E172 WeakPolarHBondContact O-CB 3.48Å; P168-E172 WeakPolarHBondContact O-CG 3.48Å; P168-E172 PolarHBondContact O-N 2.9Å
169V98Very high96.8Very high49 Ų4939.1 Ų39.130%0.29720%0.199SC..Hα-helixtrans-54.5-42.7-170.1169.10000112.4L114 N167 K173L114-V169 HydrophobicContact CD1-CG1 4.01Å; L114-V169 HydrophobicContact CD2-CG1 4.15Å; N167-V169 PolarHBondContact O-N 2.88Å; N167-V169 WeakPolarHBondContact OD1-CB 3.37Å; N167-V169 VanDerWaalsContact OD1-CG2 3.28Å; N167-V169 WeakPolarHBondContact OD1-CG2 3.4Å; N167-V169 PolarHBondContact OD1-N 3.44Å; V169-K173 WeakPolarHBondContact O-CG 3.43Å; V169-K173 PolarHBondContact O-N 3.27Å
170Y98.4Very high96.8Very high4 Ų439.8 Ų39.82%0.01620%0.202CC..Hα-helixtrans-67.5-47.7-177.2-43-75.4000111.1A110 D111 L114 F158 L161 S162 N167 P168 E172 K173 V174A110-Y170 HydrophobicContact CB-CD1 3.86Å; A110-Y170 HydrophobicContact CB-CE1 3.61Å; D111-Y170 VanDerWaalsContact OD1-CE1 3.24Å; D111-Y170 WeakPolarHBondContact OD1-CE1 3.35Å; D111-Y170 VanDerWaalsContact OD1-CZ 3.3Å; D111-Y170 PolarHBondContact OD1-OH 3.5Å; L114-Y170 HydrophobicContact CD1-CE1 4.24Å; L114-Y170 HydrophobicContact CD2-CD1 4.16Å; L114-Y170 HydrophobicContact CD2-CE1 4.49Å; F158-Y170 WeakPolarHBondContact CD1-O 3.27Å; F158-Y170 WeakPolarHBondContact O-CB 3.42Å; L161-Y170 HydrophobicContact CB-CD2 4.2Å; L161-Y170 HydrophobicContact CD2-CD1 3.9Å; L161-Y170 HydrophobicContact CD2-CD2 3.69Å; L161-Y170 HydrophobicContact CD2-CE1 3.86Å; L161-Y170 HydrophobicContact CD2-CE2 3.62Å; L161-Y170 HydrophobicContact CD2-CG 3.82Å; L161-Y170 HydrophobicContact CG-CD2 3.72Å; L161-Y170 HydrophobicContact CG-CE2 3.72Å; L161-Y170 HydrophobicContact CG-CG 4.28Å; S162-Y170 WeakPolarHBondContact OG-CB 3.44Å; N167-Y170 HydrophobicContact CB-CE2 4.21Å; P168-Y170 VanDerWaalsContact C-N 3.29Å; P168-Y170 PolarHBondContact O-N 3Å; Y170-E172 PolarHBondContact O-N 3.34Å; Y170-K173 WeakPolarHBondContact O-CB 3.33Å; Y170-K173 PolarHBondContact O-N 2.77Å; Y170-K173 VanDerWaalsContact O-N 3.15Å; Y170-V174 PolarHBondContact O-N 2.71Å
171F97.2Very high96.8Very high74 Ų7439.8 Ų39.833%0.32520%0.202SC..Hα-helixtrans-62.4-43177.9179-110.7000111.1H155 E159 S162 P168 K173 V174 D175H155-F171 AromaticContact NE2-CE2 3.76Å; E159-F171 HydrophobicContact CB-CD2 3.84Å; E159-F171 HydrophobicContact CB-CE2 4.38Å; E159-F171 HydrophobicContact CG-CD2 3.75Å; E159-F171 HydrophobicContact CG-CE2 4.02Å; S162-F171 WeakPolarHBondContact OG-CB 3.36Å; S162-F171 PolarHBondContact OG-N 3.21Å; P168-F171 PolarHBondContact O-N 3.14Å; F171-K173 PolarHBondContact O-N 3.28Å; F171-V174 HydrophobicContact CD2-CG2 4.33Å; F171-V174 WeakPolarHBondContact O-CG2 3.32Å; F171-V174 PolarHBondContact O-N 2.68Å; F171-V174 VanDerWaalsContact O-N 3.16Å; F171-D175 HydrophobicContact CD1-CB 4.5Å; F171-D175 HydrophobicContact CE1-CB 4.12Å; F171-D175 HydrophobicContact CE2-CB 4.36Å; F171-D175 HydrophobicContact CZ-CB 4.05Å; F171-D175 WeakPolarHBondContact O-CB 3.35Å; F171-D175 PolarHBondContact O-N 3.02Å
172E98.3Very high96.7Very high112 Ų11242.5 Ų42.552%0.52322%0.216SC..Hα-helixtrans-56.5-36.4175.7-74.3174.5-179.100112.5P168 Y170 K176P168-E172 HydrophobicContact CB-CG 4.32Å; P168-E172 WeakPolarHBondContact O-CB 3.48Å; P168-E172 WeakPolarHBondContact O-CG 3.48Å; P168-E172 PolarHBondContact O-N 2.9Å; Y170-E172 PolarHBondContact O-N 3.34Å; E172-K176 VanDerWaalsContact O-CB 3.25Å; E172-K176 WeakPolarHBondContact O-CB 3.32Å; E172-K176 PolarHBondContact O-N 2.91Å; E172-K176 VanDerWaalsContact O-N 3.08Å
173K98.6Very high96.6Very high56 Ų5649.5 Ų49.524%0.24325%0.245CC..Hα-helixtrans-64-50175.7-67.4-48.5-176.6174.60111.9L114 F117 F158 V169 Y170 F171 K176 V177L114-K173 HydrophobicContact CD2-CG 4.1Å; F117-K173 HydrophobicContact CB-CD 3.91Å; F117-K173 HydrophobicContact CB-CG 4.43Å; F117-K173 HydrophobicContact CD1-CB 3.73Å; F117-K173 HydrophobicContact CD1-CD 4.1Å; F117-K173 HydrophobicContact CD1-CG 4.02Å; F117-K173 HydrophobicContact CD2-CG 4.49Å; F117-K173 HydrophobicContact CE1-CB 3.7Å; F117-K173 HydrophobicContact CE1-CG 4.36Å; F117-K173 HydrophobicContact CG-CB 4.28Å; F117-K173 HydrophobicContact CG-CD 4.06Å; F117-K173 HydrophobicContact CG-CG 4.07Å; F117-K173 HydrophobicContact CZ-CB 4.23Å; F158-K173 HydrophobicContact CD1-CB 4.43Å; V169-K173 WeakPolarHBondContact O-CG 3.43Å; V169-K173 PolarHBondContact O-N 3.27Å; Y170-K173 WeakPolarHBondContact O-CB 3.33Å; Y170-K173 PolarHBondContact O-N 2.77Å; Y170-K173 VanDerWaalsContact O-N 3.15Å; F171-K173 PolarHBondContact O-N 3.28Å; K173-K176 PolarHBondContact O-N 3.29Å; K173-V177 PolarHBondContact O-N 3Å
174V98.4Very high96.5Very high4 Ų449.5 Ų49.52%0.02425%0.245CC..Hα-helixtrans-79.7-29.6-174.7-64.50000113.2L154 H155 F158 Y170 F171 V177 R178L154-V174 HydrophobicContact CB-CG1 3.8Å; H155-V174 HydrophobicContact CB-CB 4.43Å; F158-V174 HydrophobicContact CB-CB 4.38Å; F158-V174 HydrophobicContact CB-CG1 3.64Å; F158-V174 HydrophobicContact CB-CG2 3.8Å; F158-V174 HydrophobicContact CD1-CG1 3.75Å; F158-V174 HydrophobicContact CG-CG1 3.8Å; Y170-V174 PolarHBondContact O-N 2.71Å; F171-V174 HydrophobicContact CD2-CG2 4.33Å; F171-V174 WeakPolarHBondContact O-CG2 3.32Å; F171-V174 PolarHBondContact O-N 2.68Å; F171-V174 VanDerWaalsContact O-N 3.16Å; V174-V177 PolarHBondContact O-N 2.81Å; V174-R178 PolarHBondContact O-N 3.28Å
175D97.7Very high96.4Very high52 Ų5258 Ų5828%0.27829%0.285SS..Hα-helixtrans-64.7-43.8168.8178.758.4000110.1F171 V177 R178 Q179F171-D175 HydrophobicContact CD1-CB 4.5Å; F171-D175 HydrophobicContact CE1-CB 4.12Å; F171-D175 HydrophobicContact CE2-CB 4.36Å; F171-D175 HydrophobicContact CZ-CB 4.05Å; F171-D175 WeakPolarHBondContact O-CB 3.35Å; F171-D175 PolarHBondContact O-N 3.02Å; D175-V177 VanDerWaalsContact C-N 3.26Å; D175-V177 PolarHBondContact O-N 3.4Å; D175-R178 CarbonylContact O-C 3.58Å; D175-R178 WeakPolarHBondContact O-CA 3.41Å; D175-R178 WeakPolarHBondContact O-CB 3.26Å; D175-R178 PolarHBondContact O-N 3.48Å; D175-Q179 WeakPolarHBondContact O-CB 3.46Å; D175-Q179 VanDerWaalsContact O-CG 3.27Å; D175-Q179 WeakPolarHBondContact O-CG 3.36Å; D175-Q179 PolarHBondContact O-N 3.45Å; D175-Q179 PolarHBondContact OD1-NE2 3.25Å
176K97.9Very high96.1Very high106 Ų10659.2 Ų59.246%0.46129%0.29SS..Hα-helixtrans-56.6-40.6175.1-170.6178.2-174.9-167.40112.4T121 E172 K173 F180T121-K176 WeakPolarHBondContact O-CE 3.49Å; T121-K176 PolarHBondContact O-NZ 3.46Å; E172-K176 VanDerWaalsContact O-CB 3.25Å; E172-K176 WeakPolarHBondContact O-CB 3.32Å; E172-K176 PolarHBondContact O-N 2.91Å; E172-K176 VanDerWaalsContact O-N 3.08Å; K173-K176 PolarHBondContact O-N 3.29Å; K176-F180 VanDerWaalsContact O-CB 3.3Å; K176-F180 WeakPolarHBondContact O-CB 3.41Å; K176-F180 PolarHBondContact O-N 2.86Å
177V98.2Very high95.6Very high6 Ų657.4 Ų57.44%0.03628%0.277CS..Hα-helixtrans-63-47.2173171.60000111.3F151 K173 V174 D175 Q179 F180 L181F151-V177 HydrophobicContact CD2-CG1 3.74Å; F151-V177 HydrophobicContact CE2-CG1 4.29Å; K173-V177 PolarHBondContact O-N 3Å; V174-V177 PolarHBondContact O-N 2.81Å; D175-V177 VanDerWaalsContact C-N 3.26Å; D175-V177 PolarHBondContact O-N 3.4Å; V177-Q179 PolarHBondContact O-N 3.04Å; V177-F180 WeakPolarHBondContact O-CB 3.49Å; V177-F180 PolarHBondContact O-N 2.82Å; V177-L181 HydrophobicContact CG1-CD1 4.15Å; V177-L181 WeakPolarHBondContact O-CG 3.36Å; V177-L181 PolarHBondContact O-N 3.19Å
178R97.8Very high94.9Very high5 Ų560.2 Ų60.22%0.01929%0.292CS..Hα-helixtrans-58.9-48177.6-173.474.474.8-1526.9111.5V174 D175 F180 L181 N182 S223 L233 M237V174-R178 PolarHBondContact O-N 3.28Å; D175-R178 CarbonylContact O-C 3.58Å; D175-R178 WeakPolarHBondContact O-CA 3.41Å; D175-R178 WeakPolarHBondContact O-CB 3.26Å; D175-R178 PolarHBondContact O-N 3.48Å; R178-F180 VanDerWaalsContact C-N 3.33Å; R178-F180 PolarHBondContact O-N 2.86Å; R178-L181 PolarHBondContact O-N 3.43Å; R178-N182 WeakPolarHBondContact O-CB 3.38Å; R178-N182 PolarHBondContact O-N 3.31Å; R178-S223 PolarHBondContact NH2-OG 3.45Å; R178-S223 VanDerWaalsContact NH2-OG 3.17Å; R178-L233 HydrophobicContact CG-CD2 4.23Å; R178-M237 HydrophobicContact CG-SD 4.29Å
179Q97.5Very high94.3Very high55 Ų5557.9 Ų57.926%0.25728%0.28SS..Hα-helixtrans-62.4-39.6177.8-65.6-59.1-32.300112.2D175 V177 K183D175-Q179 WeakPolarHBondContact O-CB 3.46Å; D175-Q179 VanDerWaalsContact O-CG 3.27Å; D175-Q179 WeakPolarHBondContact O-CG 3.36Å; D175-Q179 PolarHBondContact O-N 3.45Å; D175-Q179 PolarHBondContact OD1-NE2 3.25Å; V177-Q179 PolarHBondContact O-N 3.04Å; Q179-K183 WeakPolarHBondContact O-CB 3.45Å; Q179-K183 VanDerWaalsContact O-CG 3.3Å; Q179-K183 WeakPolarHBondContact O-CG 3.4Å; Q179-K183 PolarHBondContact O-N 3.25Å
180F96.7Very high93.7Very high40 Ų4056.4 Ų56.418%0.17527%0.27CS..Hα-helixtrans-60.8-51.7174.2169.5-87.9000110.9I123 K176 V177 R178 N182 K183 T184 V195 G200I123-F180 HydrophobicContact CD1-CD1 3.58Å; I123-F180 HydrophobicContact CD1-CD2 4.32Å; I123-F180 HydrophobicContact CD1-CE1 3.37Å; I123-F180 HydrophobicContact CD1-CE2 4.13Å; I123-F180 HydrophobicContact CD1-CG 4.08Å; I123-F180 HydrophobicContact CD1-CZ 3.66Å; I123-F180 HydrophobicContact CG1-CD1 4.17Å; I123-F180 HydrophobicContact CG1-CE1 4.42Å; I123-F180 HydrophobicContact CG1-CG 4.43Å; K176-F180 VanDerWaalsContact O-CB 3.3Å; K176-F180 WeakPolarHBondContact O-CB 3.41Å; K176-F180 PolarHBondContact O-N 2.86Å; V177-F180 WeakPolarHBondContact O-CB 3.49Å; V177-F180 PolarHBondContact O-N 2.82Å; R178-F180 VanDerWaalsContact C-N 3.33Å; R178-F180 PolarHBondContact O-N 2.86Å; F180-N182 VanDerWaalsContact C-N 3.33Å; F180-N182 PolarHBondContact O-N 3.38Å; F180-K183 PolarHBondContact O-N 3.25Å; F180-T184 HydrophobicContact CZ-CG2 4.35Å; F180-T184 WeakPolarHBondContact CZ-OG1 3.17Å; F180-T184 WeakPolarHBondContact O-CB 3.24Å; F180-T184 PolarHBondContact O-N 2.84Å; F180-T184 PolarHBondContact O-OG1 2.8Å; F180-V195 HydrophobicContact CE1-CG1 4.05Å; F180-V195 HydrophobicContact CZ-CG1 4Å; F180-G200 VanDerWaalsContact CZ-O 3.29Å; F180-G200 WeakPolarHBondContact CZ-O 3.49Å
181L96.3Very high93.3Very high0 Ų056.2 Ų56.20%027%0.27CS..Hα-helixtrans-62-39.6-179.2-75.1173.7000112.5L148 F151 V177 R178 K183 Y191 W202 F216 M237L148-L181 HydrophobicContact CD1-CD1 4.25Å; L148-L181 HydrophobicContact CD1-CD2 4.05Å; F151-L181 HydrophobicContact CE2-CD1 4Å; F151-L181 HydrophobicContact CE2-CD2 3.92Å; F151-L181 HydrophobicContact CE2-CG 4.2Å; F151-L181 HydrophobicContact CZ-CD2 4.3Å; V177-L181 HydrophobicContact CG1-CD1 4.15Å; V177-L181 WeakPolarHBondContact O-CG 3.36Å; V177-L181 PolarHBondContact O-N 3.19Å; R178-L181 PolarHBondContact O-N 3.43Å; L181-K183 VanDerWaalsContact C-N 3.32Å; L181-K183 PolarHBondContact O-N 3.04Å; L181-Y191 HydrophobicContact CB-CE1 4.2Å; L181-Y191 HydrophobicContact CD2-CD1 4.09Å; L181-Y191 HydrophobicContact CD2-CE1 4.44Å; L181-W202 HydrophobicContact CD2-CH2 3.61Å; L181-W202 HydrophobicContact CD2-CZ3 4.37Å; L181-F216 HydrophobicContact CD1-CD2 4.21Å; L181-F216 HydrophobicContact CD1-CE2 3.42Å; L181-F216 VanDerWaalsContact CD1-CE2 3.42Å; L181-F216 HydrophobicContact CD1-CZ 3.86Å; L181-M237 HydrophobicContact CB-CE 3.85Å
182N95.3Very high92.9Very high56 Ų5652.7 Ų52.730%0.29925%0.254SS..Hα-helixtrans-63.8-36177.9-176.745000112.9R178 F180 L233 M237R178-N182 WeakPolarHBondContact O-CB 3.38Å; R178-N182 PolarHBondContact O-N 3.31Å; F180-N182 VanDerWaalsContact C-N 3.33Å; F180-N182 PolarHBondContact O-N 3.38Å; N182-L233 HydrophobicContact CB-CD1 4.31Å; N182-L233 WeakPolarHBondContact ND2-CD1 3.27Å; N182-M237 HydrophobicContact CB-CE 4.3Å; N182-M237 HydrophobicContact CB-SD 3.94Å
183K94.4Very high92.5Very high159 Ų15947.4 Ų47.469%0.69123%0.229SC*.Hα-helixtrans-91.4-16.2-174.9-67.6172.6-173.7172.90114Q179 F180 L181Q179-K183 WeakPolarHBondContact O-CB 3.45Å; Q179-K183 VanDerWaalsContact O-CG 3.3Å; Q179-K183 WeakPolarHBondContact O-CG 3.4Å; Q179-K183 PolarHBondContact O-N 3.25Å; F180-K183 PolarHBondContact O-N 3.25Å; L181-K183 VanDerWaalsContact C-N 3.32Å; L181-K183 PolarHBondContact O-N 3.04Å
184T92.3Very high92.3Very high28 Ų2845.8 Ų45.817%0.17222%0.222CC..SBendtrans-77.8132.5-176.2-58.80000110.3F180 K186 W202F180-T184 HydrophobicContact CZ-CG2 4.35Å; F180-T184 WeakPolarHBondContact CZ-OG1 3.17Å; F180-T184 WeakPolarHBondContact O-CB 3.24Å; F180-T184 PolarHBondContact O-N 2.84Å; F180-T184 PolarHBondContact O-OG1 2.8Å; T184-K186 WeakPolarHBondContact O-CG 3.45Å; T184-K186 PolarHBondContact O-N 3.44Å; T184-W202 HydrophobicContact CG2-CZ2 3.72Å
185E91.1Very high92.2Very high177 Ų17745.6 Ų45.683%0.82722%0.221SC*.PPolyproline II helixtrans-62.4124.1173.8-173.7178.5179.100110.3W202E185-W202 PolarHBondContact O-NE1 2.85Å
186K89Confident92.1Very high37 Ų3744.7 Ų44.716%0.16122%0.216CC..PPolyproline II helixtrans-95.5161.9-171.9-55.5173-157.9134.10110.9T184 D188 G189 L190 Y191 E240T184-K186 WeakPolarHBondContact O-CG 3.45Å; T184-K186 PolarHBondContact O-N 3.44Å; K186-D188 PolarHBondContact O-N 2.99Å; K186-G189 WeakPolarHBondContact CD-O 3.4Å; K186-L190 WeakPolarHBondContact CB-O 3.31Å; K186-Y191 HydrophobicContact CD-CD1 4.21Å; K186-Y191 HydrophobicContact CD-CE1 3.82Å; K186-Y191 HydrophobicContact CD-CE2 4.37Å; K186-Y191 WeakPolarHBondContact CE-OH 3.27Å; K186-Y191 HydrophobicContact CG-CD1 4.33Å; K186-Y191 HydrophobicContact CG-CE1 4.26Å; K186-E240 VanDerWaalsContact NZ-CD 3.31Å; K186-E240 IonicContact NZ-OE1 3.11Å; K186-E240 PolarHBondContact NZ-OE1 3.38Å; K186-E240 IonicContact NZ-OE2 3.98Å; K186-E240 PolarHBondContact NZ-OE2 3.42Å
187F82.7Confident92Very high64 Ų6439.7 Ų39.728%0.28119%0.194SC..BIsolated β-bridgetrans-81.7111.1171.6-68.6-72000110.1G189 L190 W202 K205F187-G189 PolarHBondContact O-N 3.08Å; F187-G189 VanDerWaalsContact O-N 3.13Å; F187-L190 PolarHBondContact N-O 3.49Å; F187-L190 PolarHBondContact O-N 3.13Å; F187-W202 HydrophobicContact CD2-CG 4.42Å; F187-W202 HydrophobicContact CE2-CB 3.54Å; F187-W202 AromaticContact CE2-CG 3.87Å; F187-W202 HydrophobicContact CE2-CG 3.87Å; F187-W202 HydrophobicContact CZ-CB 4.02Å; F187-K205 HydrophobicContact CB-CD 4.3Å; F187-K205 HydrophobicContact CB-CG 4.22Å; F187-K205 HydrophobicContact CD1-CB 4.42Å; F187-K205 HydrophobicContact CD1-CD 3.94Å; F187-K205 HydrophobicContact CD1-CG 4.04Å; F187-K205 HydrophobicContact CD2-CB 4.38Å; F187-K205 HydrophobicContact CD2-CG 4.08Å; F187-K205 HydrophobicContact CE1-CB 4.27Å; F187-K205 HydrophobicContact CE1-CD 4.46Å; F187-K205 HydrophobicContact CE1-CG 4.4Å; F187-K205 HydrophobicContact CE2-CB 4.21Å; F187-K205 HydrophobicContact CE2-CG 4.41Å; F187-K205 HydrophobicContact CG-CB 4.47Å; F187-K205 HydrophobicContact CG-CD 4.13Å; F187-K205 HydrophobicContact CG-CG 3.87Å; F187-K205 HydrophobicContact CZ-CB 4.16Å
188D81.2Confident91.8Very high113 Ų11343.7 Ų43.760%0.60421%0.212SC*.THydrogen-bonded Turntrans5333.3-178.1-49.7-43.3000112.4K186 L190 K205K186-D188 PolarHBondContact O-N 2.99Å; D188-L190 VanDerWaalsContact C-N 3.29Å; D188-L190 PolarHBondContact O-N 2.65Å; D188-K205 IonicContact OD2-NZ 2.68Å; D188-K205 PolarHBondContact OD2-NZ 2.86Å
189G82.7Confident91.7Very high18 Ų1847.6 Ų47.619%0.18624%0.237CC..THydrogen-bonded Turntrans78.80.2-175.600000115.7K186 F187K186-G189 WeakPolarHBondContact CD-O 3.4Å; F187-G189 PolarHBondContact O-N 3.08Å; F187-G189 VanDerWaalsContact O-N 3.13Å
190L85.7Confident91.5Very high19 Ų1945.4 Ų45.410%0.09923%0.229CC..BIsolated β-bridgetrans-107.9147.1-179.4-59171.5000113.2K186 F187 D188 V207 A241 L244 T245K186-L190 WeakPolarHBondContact CB-O 3.31Å; F187-L190 PolarHBondContact N-O 3.49Å; F187-L190 PolarHBondContact O-N 3.13Å; D188-L190 VanDerWaalsContact C-N 3.29Å; D188-L190 PolarHBondContact O-N 2.65Å; L190-V207 HydrophobicContact CB-CB 4.49Å; L190-V207 HydrophobicContact CB-CG1 3.51Å; L190-V207 HydrophobicContact CB-CG2 4.2Å; L190-V207 HydrophobicContact CD1-CG1 3.8Å; L190-V207 HydrophobicContact CG-CG1 4.21Å; L190-A241 WeakPolarHBondContact CD2-O 3.42Å; L190-L244 HydrophobicContact CD2-CB 3.88Å; L190-L244 HydrophobicContact CG-CB 4.46Å; L190-T245 WeakPolarHBondContact CD2-OG1 3.49Å
191Y89.4Confident91.3Very high0 Ų050.7 Ų50.70%025%0.252CS..  trans-78.4131.1-178.8-55-85.8000110.8L148 L181 K186 W202 F216 Y217 M237 A241L148-Y191 HydrophobicContact CD2-CG 4.45Å; L181-Y191 HydrophobicContact CB-CE1 4.2Å; L181-Y191 HydrophobicContact CD2-CD1 4.09Å; L181-Y191 HydrophobicContact CD2-CE1 4.44Å; K186-Y191 HydrophobicContact CD-CD1 4.21Å; K186-Y191 HydrophobicContact CD-CE1 3.82Å; K186-Y191 HydrophobicContact CD-CE2 4.37Å; K186-Y191 WeakPolarHBondContact CE-OH 3.27Å; K186-Y191 HydrophobicContact CG-CD1 4.33Å; K186-Y191 HydrophobicContact CG-CE1 4.26Å; Y191-W202 AromaticContact CD1-CH2 3.93Å; Y191-W202 HydrophobicContact CD1-CH2 3.93Å; Y191-W202 HydrophobicContact CD1-CZ2 4.27Å; Y191-F216 HydrophobicContact CD1-CE1 4.44Å; Y191-F216 HydrophobicContact CD1-CZ 4.46Å; Y191-F216 AromaticContact CD2-CE1 3.58Å; Y191-F216 HydrophobicContact CD2-CE1 3.58Å; Y191-F216 HydrophobicContact CD2-CZ 4.22Å; Y191-F216 HydrophobicContact CE1-CZ 4.31Å; Y191-F216 AromaticContact CE2-CE1 3.74Å; Y191-F216 HydrophobicContact CE2-CE1 3.74Å; Y191-F216 HydrophobicContact CE2-CZ 4.05Å; Y191-F216 AromaticContact CG-CE1 3.95Å; Y191-F216 HydrophobicContact CG-CE1 3.95Å; Y191-F216 HydrophobicContact CG-CZ 4.42Å; Y191-Y217 AromaticContact CD2-CE1 3.85Å; Y191-Y217 HydrophobicContact CD2-CE1 3.85Å; Y191-Y217 HydrophobicContact CE2-CE1 4.28Å; Y191-M237 HydrophobicContact CE1-CE 4.22Å; Y191-M237 WeakPolarHBondContact OH-CE 3.4Å; Y191-A241 HydrophobicContact CD2-CB 4.35Å; Y191-A241 HydrophobicContact CE2-CB 3.92Å
192S90.4Very high91.1Very high0 Ų052.5 Ų52.50%026%0.259CS..  trans-74.6146167.5173.20000109.8Y194 W202 I204 H206S192-Y194 PolarHBondContact O-N 3.3Å; S192-Y194 PolarHBondContact OG-N 2.85Å; S192-W202 WeakPolarHBondContact O-CZ3 3.5Å; S192-I204 PolarHBondContact OG-O 3.46Å; S192-H206 WeakPolarHBondContact CA-O 3.36Å
193N89.8Confident90.6Very high0 Ų050.8 Ų50.80%026%0.255CS..SBendtrans-71.1-7.4178.6-68.7-5.4000113.3I147 L148 H206 S208 L212I147-N193 CarbonylContact C-O 3.57Å; I147-N193 VanDerWaalsContact CA-O 3.25Å; I147-N193 WeakPolarHBondContact CA-O 3Å; L148-N193 PolarHBondContact N-O 3.1Å; N193-H206 PolarHBondContact N-O 3.4Å; N193-H206 PolarHBondContact ND2-CE1 3.39Å; N193-H206 PolarHBondContact ND2-ND1 3.09Å; N193-S208 WeakPolarHBondContact ND2-CB 3.46Å; N193-L212 HydrophobicContact CB-CB 4.06Å
194Y93.6Very high90.1Very high22 Ų2247.8 Ų47.89%0.08625%0.245CC..EExtended strand (participates in β ladder)trans-124.9122.5-175.9-59.9-74.6000110.9A141 I147 S192 W202 G203 I204 H206 L212A141-Y194 HydrophobicContact CB-CE1 4.4Å; I147-Y194 HydrophobicContact CG1-CD1 4.41Å; I147-Y194 HydrophobicContact CG1-CE1 4.24Å; S192-Y194 PolarHBondContact O-N 3.3Å; S192-Y194 PolarHBondContact OG-N 2.85Å; Y194-W202 CarbonylContact O-C 3.41Å; Y194-W202 WeakPolarHBondContact O-CA 3.3Å; Y194-G203 PolarHBondContact O-N 2.91Å; Y194-I204 HydrophobicContact CD2-CD1 4.17Å; Y194-I204 HydrophobicContact CD2-CG1 3.64Å; Y194-I204 HydrophobicContact CE2-CD1 3.89Å; Y194-I204 HydrophobicContact CE2-CG1 3.91Å; Y194-H206 HydrophobicContact CD2-CB 4.03Å; Y194-H206 HydrophobicContact CE2-CB 3.8Å; Y194-H206 AromaticContact CE2-CG 3.96Å; Y194-L212 VanDerWaalsContact OH-CD1 3.31Å; Y194-L212 WeakPolarHBondContact OH-CD1 3.15Å
195V96Very high89.7Confident0 Ų052.5 Ų52.50%026%0.264CS..EExtended strand (participates in β ladder)trans-123.7130.3169.6-178.60000110.2I123 S145 S146 F151 F180 P197 W202I123-V195 HydrophobicContact CD1-CB 4.25Å; I123-V195 HydrophobicContact CD1-CG1 3.41Å; I123-V195 VanDerWaalsContact CD1-CG1 3.41Å; S145-V195 CarbonylContact C-O 3.5Å; S145-V195 VanDerWaalsContact CA-O 3.26Å; S145-V195 WeakPolarHBondContact CA-O 3.37Å; S145-V195 VanDerWaalsContact CB-O 3.27Å; S145-V195 WeakPolarHBondContact CB-O 3.41Å; S146-V195 PolarHBondContact N-O 3.33Å; S146-V195 PolarHBondContact O-N 3.34Å; F151-V195 HydrophobicContact CE1-CB 4.1Å; F151-V195 HydrophobicContact CE1-CG2 4.04Å; F151-V195 HydrophobicContact CZ-CB 4.09Å; F151-V195 HydrophobicContact CZ-CG2 3.63Å; F180-V195 HydrophobicContact CE1-CG1 4.05Å; F180-V195 HydrophobicContact CZ-CG1 4Å; V195-P197 WeakPolarHBondContact O-CD 3.4Å; V195-W202 HydrophobicContact CG2-CD2 4.24Å; V195-W202 HydrophobicContact CG2-CE3 3.24Å; V195-W202 HydrophobicContact CG2-CH2 3.95Å; V195-W202 HydrophobicContact CG2-CZ3 3.07Å
196N95.6Very high89.4Confident34 Ų3447.5 Ų47.518%0.18224%0.24CC..  trans-73.2117171.1179.8-72.3000109.9S143 H198 T199 G200 K201S143-N196 PolarHBondContact O-ND2 3.45Å; N196-H198 PolarHBondContact O-N 2.89Å; N196-H198 VanDerWaalsContact O-N 3.13Å; N196-H198 WeakPolarHBondContact OD1-CB 3.18Å; N196-H198 PolarHBondContact OD1-N 3.28Å; N196-T199 WeakPolarHBondContact CB-OG1 3.4Å; N196-T199 PolarHBondContact O-N 2.74Å; N196-T199 PolarHBondContact OD1-N 3Å; N196-T199 PolarHBondContact OD1-OG1 2.93Å; N196-T199 VanDerWaalsContact OD1-OG1 3.1Å; N196-G200 WeakPolarHBondContact O-CA 3.43Å; N196-G200 PolarHBondContact O-N 2.98Å; N196-K201 PolarHBondContact N-O 3.35Å
197P96.5Very high89Confident0 Ų047.9 Ų47.90%025%0.245CC..THydrogen-bonded Turntrans-71.1-11.3-171.829.5-37.6000114.3T119 T121 I123 Y125 V195T119-P197 WeakPolarHBondContact CB-O 3.06Å; T119-P197 HydrophobicContact CG2-CB 4Å; T119-P197 PolarHBondContact OG1-O 2.89Å; T121-P197 WeakPolarHBondContact CB-O 3.2Å; T121-P197 VanDerWaalsContact CG2-O 3.3Å; T121-P197 WeakPolarHBondContact CG2-O 3.35Å; T121-P197 PolarHBondContact N-O 3.19Å; T121-P197 PolarHBondContact OG1-O 3.24Å; I123-P197 HydrophobicContact CB-CB 4.32Å; I123-P197 HydrophobicContact CG2-CB 4.45Å; Y125-P197 HydrophobicContact CD1-CG 4.05Å; Y125-P197 HydrophobicContact CE1-CG 3.84Å; V195-P197 WeakPolarHBondContact O-CD 3.4Å
198H94.2Very high89Confident91 Ų9145.7 Ų45.742%0.42124%0.238SC..THydrogen-bonded Turntrans-90.9-39.6175.4-64.2-71.4000113S120 Y125 N196S120-H198 WeakPolarHBondContact CB-O 3.44Å; Y125-H198 AromaticContact CZ-CE1 3.99Å; Y125-H198 AromaticContact CZ-NE2 3.81Å; Y125-H198 PolarHBondContact OH-CE1 2.94Å; Y125-H198 PolarHBondContact OH-NE2 2.65Å; N196-H198 PolarHBondContact O-N 2.89Å; N196-H198 VanDerWaalsContact O-N 3.13Å; N196-H198 WeakPolarHBondContact OD1-CB 3.18Å; N196-H198 PolarHBondContact OD1-N 3.28Å
199T94.5Very high88.9Confident86 Ų8640.9 Ų40.953%0.52821%0.212SC..THydrogen-bonded Turntrans-101.3-20.1-173.362.30000113.2N196 K201N196-T199 WeakPolarHBondContact CB-OG1 3.4Å; N196-T199 PolarHBondContact O-N 2.74Å; N196-T199 PolarHBondContact OD1-N 3Å; N196-T199 PolarHBondContact OD1-OG1 2.93Å; N196-T199 VanDerWaalsContact OD1-OG1 3.1Å; T199-K201 PolarHBondContact O-N 2.82Å; T199-K201 PolarHBondContact OG1-N 3.38Å
200G93.6Very high88.7Confident10 Ų1040.5 Ų40.510%0.10321%0.206CC..  trans69.29.1-173.100000113.2F180 N196F180-G200 VanDerWaalsContact CZ-O 3.29Å; F180-G200 WeakPolarHBondContact CZ-O 3.49Å; N196-G200 WeakPolarHBondContact O-CA 3.43Å; N196-G200 PolarHBondContact O-N 2.98Å
201K93.1Very high88.3Confident150 Ų15041.6 Ų41.665%0.65222%0.217SC*.  trans-81.2141175.7-65.4-174.3177.8-175.60109.7N196 T199N196-K201 PolarHBondContact N-O 3.35Å; T199-K201 PolarHBondContact O-N 2.82Å; T199-K201 PolarHBondContact OG1-N 3.38Å
202W91.1Very high88.1Confident38 Ų3843.9 Ų43.914%0.14423%0.23CC..BIsolated β-bridgetrans-58.1141.7165.6-58.4115.9000110.2L181 T184 E185 F187 Y191 S192 Y194 V195L181-W202 HydrophobicContact CD2-CH2 3.61Å; L181-W202 HydrophobicContact CD2-CZ3 4.37Å; T184-W202 HydrophobicContact CG2-CZ2 3.72Å; E185-W202 PolarHBondContact O-NE1 2.85Å; F187-W202 HydrophobicContact CD2-CG 4.42Å; F187-W202 HydrophobicContact CE2-CB 3.54Å; F187-W202 AromaticContact CE2-CG 3.87Å; F187-W202 HydrophobicContact CE2-CG 3.87Å; F187-W202 HydrophobicContact CZ-CB 4.02Å; Y191-W202 AromaticContact CD1-CH2 3.93Å; Y191-W202 HydrophobicContact CD1-CH2 3.93Å; Y191-W202 HydrophobicContact CD1-CZ2 4.27Å; S192-W202 WeakPolarHBondContact O-CZ3 3.5Å; Y194-W202 CarbonylContact O-C 3.41Å; Y194-W202 WeakPolarHBondContact O-CA 3.3Å; V195-W202 HydrophobicContact CG2-CD2 4.24Å; V195-W202 HydrophobicContact CG2-CE3 3.24Å; V195-W202 HydrophobicContact CG2-CH2 3.95Å; V195-W202 HydrophobicContact CG2-CZ3 3.07Å
203G86.3Confident87.9Confident21 Ų2143.9 Ų43.922%0.21623%0.23CC..  trans-73.7-144.6168.500000111Y194Y194-G203 PolarHBondContact O-N 2.91Å
204I84.2Confident87.7Confident95 Ų9545.9 Ų45.949%0.48724%0.24SC..SBendtrans-53.6149.5172.758.5170.3000111.3S192 Y194 H206S192-I204 PolarHBondContact OG-O 3.46Å; Y194-I204 HydrophobicContact CD2-CD1 4.17Å; Y194-I204 HydrophobicContact CD2-CG1 3.64Å; Y194-I204 HydrophobicContact CE2-CD1 3.89Å; Y194-I204 HydrophobicContact CE2-CG1 3.91Å; I204-H206 HydrophobicContact CD1-CB 4.04Å; I204-H206 HydrophobicContact CG1-CB 4.02Å; I204-H206 PolarHBondContact O-N 2.77Å
205K83.3Confident87.8Confident128 Ų12845 Ų4556%0.55724%0.237SC*.  trans-70.681.4171.1-175.2178176.8173.10109.1F187 D188F187-K205 HydrophobicContact CB-CD 4.3Å; F187-K205 HydrophobicContact CB-CG 4.22Å; F187-K205 HydrophobicContact CD1-CB 4.42Å; F187-K205 HydrophobicContact CD1-CD 3.94Å; F187-K205 HydrophobicContact CD1-CG 4.04Å; F187-K205 HydrophobicContact CD2-CB 4.38Å; F187-K205 HydrophobicContact CD2-CG 4.08Å; F187-K205 HydrophobicContact CE1-CB 4.27Å; F187-K205 HydrophobicContact CE1-CD 4.46Å; F187-K205 HydrophobicContact CE1-CG 4.4Å; F187-K205 HydrophobicContact CE2-CB 4.21Å; F187-K205 HydrophobicContact CE2-CG 4.41Å; F187-K205 HydrophobicContact CG-CB 4.47Å; F187-K205 HydrophobicContact CG-CD 4.13Å; F187-K205 HydrophobicContact CG-CG 3.87Å; F187-K205 HydrophobicContact CZ-CB 4.16Å; D188-K205 IonicContact OD2-NZ 2.68Å; D188-K205 PolarHBondContact OD2-NZ 2.86Å
206H83.8Confident87.8Confident71 Ų7145 Ų4533%0.32924%0.237SC..  trans-122.9102174-179-77.2000108.7S192 N193 Y194 I204S192-H206 WeakPolarHBondContact CA-O 3.36Å; N193-H206 PolarHBondContact N-O 3.4Å; N193-H206 PolarHBondContact ND2-CE1 3.39Å; N193-H206 PolarHBondContact ND2-ND1 3.09Å; Y194-H206 HydrophobicContact CD2-CB 4.03Å; Y194-H206 HydrophobicContact CE2-CB 3.8Å; Y194-H206 AromaticContact CE2-CG 3.96Å; I204-H206 HydrophobicContact CD1-CB 4.04Å; I204-H206 HydrophobicContact CG1-CB 4.02Å; I204-H206 PolarHBondContact O-N 2.77Å
207V82.2Confident87.7Confident45 Ų4543.4 Ų43.427%0.27323%0.228SC..  trans-109.6130.3-178175.80000108.6L190L190-V207 HydrophobicContact CB-CB 4.49Å; L190-V207 HydrophobicContact CB-CG1 3.51Å; L190-V207 HydrophobicContact CB-CG2 4.2Å; L190-V207 HydrophobicContact CD1-CG1 3.8Å; L190-V207 HydrophobicContact CG-CG1 4.21Å
208S81.5Confident87.7Confident18 Ų1843.7 Ų43.713%0.12623%0.23CC..  trans-151.7142.3176.3-177.50000110N193 N210 Y217N193-S208 WeakPolarHBondContact ND2-CB 3.46Å; S208-N210 VanDerWaalsContact C-N 3.34Å; S208-N210 WeakPolarHBondContact OG-CA 3.48Å; S208-N210 WeakPolarHBondContact OG-CB 3.31Å; S208-N210 PolarHBondContact OG-N 2.98Å; S208-Y217 WeakPolarHBondContact O-CE2 3.21Å
209I79.4Confident87.9Confident12 Ų1239.4 Ų39.46%0.06221%0.21CC..SBendtrans-95.57.6163.961.9162.3000112.1D214 Y217 T245 H270 L271I209-D214 WeakPolarHBondContact O-CA 3.43Å; I209-Y217 HydrophobicContact CB-CD2 4.16Å; I209-Y217 HydrophobicContact CB-CE2 4.16Å; I209-Y217 HydrophobicContact CG2-CD2 3.93Å; I209-Y217 HydrophobicContact CG2-CE2 3.66Å; I209-Y217 HydrophobicContact CG2-CG 4.46Å; I209-T245 HydrophobicContact CD1-CG2 3.69Å; I209-T245 HydrophobicContact CG1-CG2 4.06Å; I209-T245 HydrophobicContact CG2-CG2 3.84Å; I209-H270 PolarHBondContact O-CE1 3.22Å; I209-H270 PolarHBondContact O-NE2 3.17Å; I209-L271 HydrophobicContact CD1-CD1 3.48Å; I209-L271 VanDerWaalsContact CD1-CD1 3.48Å; I209-L271 HydrophobicContact CD1-CD2 3.97Å; I209-L271 HydrophobicContact CD1-CG 4.4Å; I209-L271 HydrophobicContact CG1-CD1 4.21Å
210N77.6Confident88Confident10 Ų1035.3 Ų35.35%0.05319%0.185CC..SBendtrans-108.8-146.8174.5-55.4-44.5000109S208 L212 G213 D214 K267 V268S208-N210 VanDerWaalsContact C-N 3.34Å; S208-N210 WeakPolarHBondContact OG-CA 3.48Å; S208-N210 WeakPolarHBondContact OG-CB 3.31Å; S208-N210 PolarHBondContact OG-N 2.98Å; N210-L212 PolarHBondContact O-N 3.32Å; N210-G213 CarbonylContact O-C 3.42Å; N210-G213 PolarHBondContact O-N 3.25Å; N210-D214 WeakPolarHBondContact O-CB 3.38Å; N210-D214 PolarHBondContact O-N 3.38Å; N210-K267 PolarHBondContact OD1-O 2.81Å; N210-V268 WeakPolarHBondContact OD1-CG1 3.29Å
211A77.7Confident88.2Confident42 Ų4234.8 Ų34.835%0.34718%0.18SC..THydrogen-bonded Turntrans-37.3132.9177.900000113.6G213 D214 K267A211-G213 PolarHBondContact O-N 3.17Å; A211-D214 WeakPolarHBondContact CA-OD2 3.35Å; A211-D214 PolarHBondContact N-OD2 2.98Å; A211-K267 HydrophobicContact CB-CD 4.49Å
212L85.4Confident88.5Confident49 Ų4927.8 Ų27.826%0.25715%0.149SC..THydrogen-bonded Turntrans75-8-177-46.9173.4000115.7W140 I147 A149 N193 Y194 N210W140-L212 HydrophobicContact CH2-CD2 4.21Å; I147-L212 HydrophobicContact CD1-CD2 4.18Å; I147-L212 HydrophobicContact CG2-CB 3.81Å; I147-L212 HydrophobicContact CG2-CD2 3.99Å; I147-L212 VanDerWaalsContact CG2-O 3.29Å; I147-L212 WeakPolarHBondContact CG2-O 3.18Å; A149-L212 VanDerWaalsContact CB-C 3.45Å; A149-L212 WeakPolarHBondContact CB-O 3.3Å; A149-L212 PolarHBondContact N-O 3.31Å; N193-L212 HydrophobicContact CB-CB 4.06Å; Y194-L212 VanDerWaalsContact OH-CD1 3.31Å; Y194-L212 WeakPolarHBondContact OH-CD1 3.15Å; N210-L212 PolarHBondContact O-N 3.32Å
213G86.1Confident88.8Confident0 Ų026 Ų260%014%0.142CC..THydrogen-bonded Turntrans-138.1-17.3177.500000115.8N210 A211 F216 Y217N210-G213 CarbonylContact O-C 3.42Å; N210-G213 PolarHBondContact O-N 3.25Å; A211-G213 PolarHBondContact O-N 3.17Å; G213-F216 WeakPolarHBondContact O-CB 3.23Å; G213-F216 PolarHBondContact O-N 3.42Å; G213-Y217 WeakPolarHBondContact O-CD2 3.3Å; G213-Y217 VanDerWaalsContact O-CE2 3.32Å; G213-Y217 WeakPolarHBondContact O-CE2 3.49Å
214D86.1Confident89.3Confident42 Ų4226.1 Ų26.123%0.22514%0.137CC..Hα-helixtrans-39.9-72.3-178.340.129.3000115.4I209 N210 A211 F216 Y217 E218 H270I209-D214 WeakPolarHBondContact O-CA 3.43Å; N210-D214 WeakPolarHBondContact O-CB 3.38Å; N210-D214 PolarHBondContact O-N 3.38Å; A211-D214 WeakPolarHBondContact CA-OD2 3.35Å; A211-D214 PolarHBondContact N-OD2 2.98Å; D214-F216 PolarHBondContact O-N 2.84Å; D214-F216 VanDerWaalsContact O-N 3.09Å; D214-Y217 PolarHBondContact O-N 2.82Å; D214-Y217 VanDerWaalsContact O-N 3.08Å; D214-E218 PolarHBondContact O-N 3.08Å; D214-H270 VanDerWaalsContact CB-CE1 3.44Å; D214-H270 WeakPolarHBondContact CB-CE1 3.23Å
215S94.8Very high90Very high2 Ų222 Ų221%0.01412%0.115CC..Hα-helixtrans-67-17.2-169.358.50000113.1T153 E218 Y219T153-S215 WeakPolarHBondContact CG2-OG 3.46Å; T153-S215 PolarHBondContact OG1-O 3.18Å; T153-S215 PolarHBondContact OG1-OG 2.84Å; S215-E218 WeakPolarHBondContact O-CB 3.29Å; S215-E218 PolarHBondContact O-N 2.78Å; S215-Y219 WeakPolarHBondContact O-CB 3.38Å; S215-Y219 WeakPolarHBondContact O-CD2 3.37Å; S215-Y219 PolarHBondContact O-N 3.09Å
216F96.1Very high90.6Very high0 Ų015.9 Ų15.90%09%0.089CC..Hα-helixtrans-64.4-44.9173160.9-105.7000111.3L148 T153 L181 Y191 G213 D214 E218 Y219 L220 M237L148-F216 HydrophobicContact CD1-CD1 3.94Å; L148-F216 HydrophobicContact CD1-CD2 4.2Å; L148-F216 HydrophobicContact CD1-CE1 4.16Å; L148-F216 HydrophobicContact CD1-CE2 4.41Å; L148-F216 HydrophobicContact CD1-CG 3.94Å; L148-F216 HydrophobicContact CD1-CZ 4.37Å; L148-F216 HydrophobicContact CD2-CD1 3.75Å; L148-F216 HydrophobicContact CD2-CE1 4.25Å; L148-F216 HydrophobicContact CD2-CG 4.32Å; L148-F216 HydrophobicContact CG-CB 4.05Å; L148-F216 HydrophobicContact CG-CD1 3.84Å; L148-F216 HydrophobicContact CG-CE1 4.47Å; L148-F216 HydrophobicContact CG-CG 3.89Å; T153-F216 WeakPolarHBondContact OG1-CA 3.43Å; T153-F216 PolarHBondContact OG1-N 3.29Å; T153-F216 VanDerWaalsContact OG1-N 3.1Å; L181-F216 HydrophobicContact CD1-CD2 4.21Å; L181-F216 HydrophobicContact CD1-CE2 3.42Å; L181-F216 VanDerWaalsContact CD1-CE2 3.42Å; L181-F216 HydrophobicContact CD1-CZ 3.86Å; Y191-F216 HydrophobicContact CD1-CE1 4.44Å; Y191-F216 HydrophobicContact CD1-CZ 4.46Å; Y191-F216 AromaticContact CD2-CE1 3.58Å; Y191-F216 HydrophobicContact CD2-CE1 3.58Å; Y191-F216 HydrophobicContact CD2-CZ 4.22Å; Y191-F216 HydrophobicContact CE1-CZ 4.31Å; Y191-F216 AromaticContact CE2-CE1 3.74Å; Y191-F216 HydrophobicContact CE2-CE1 3.74Å; Y191-F216 HydrophobicContact CE2-CZ 4.05Å; Y191-F216 AromaticContact CG-CE1 3.95Å; Y191-F216 HydrophobicContact CG-CE1 3.95Å; Y191-F216 HydrophobicContact CG-CZ 4.42Å; G213-F216 WeakPolarHBondContact O-CB 3.23Å; G213-F216 PolarHBondContact O-N 3.42Å; D214-F216 PolarHBondContact O-N 2.84Å; D214-F216 VanDerWaalsContact O-N 3.09Å; F216-E218 VanDerWaalsContact C-N 3.35Å; F216-Y219 PolarHBondContact O-N 3.02Å; F216-L220 HydrophobicContact CD1-CD1 4.43Å; F216-L220 HydrophobicContact CE1-CD1 3.76Å; F216-L220 HydrophobicContact CE2-CD1 4.14Å; F216-L220 HydrophobicContact CE2-CD2 4.27Å; F216-L220 HydrophobicContact CE2-CG 4.1Å; F216-L220 HydrophobicContact CZ-CD1 3.61Å; F216-L220 HydrophobicContact CZ-CD2 4.34Å; F216-L220 HydrophobicContact CZ-CG 4.09Å; F216-L220 WeakPolarHBondContact O-CG 3.32Å; F216-L220 PolarHBondContact O-N 3.09Å; F216-M237 HydrophobicContact CZ-CE 4.28Å
217Y94.3Very high91.1Very high1 Ų113.1 Ų13.10%0.0048%0.077CC..Hα-helixtrans-68.5-39.3178-60.4-75.7000111.1Y191 S208 I209 G213 D214 Y219 L220 L221 Y238 A241 I242Y191-Y217 AromaticContact CD2-CE1 3.85Å; Y191-Y217 HydrophobicContact CD2-CE1 3.85Å; Y191-Y217 HydrophobicContact CE2-CE1 4.28Å; S208-Y217 WeakPolarHBondContact O-CE2 3.21Å; I209-Y217 HydrophobicContact CB-CD2 4.16Å; I209-Y217 HydrophobicContact CB-CE2 4.16Å; I209-Y217 HydrophobicContact CG2-CD2 3.93Å; I209-Y217 HydrophobicContact CG2-CE2 3.66Å; I209-Y217 HydrophobicContact CG2-CG 4.46Å; G213-Y217 WeakPolarHBondContact O-CD2 3.3Å; G213-Y217 VanDerWaalsContact O-CE2 3.32Å; G213-Y217 WeakPolarHBondContact O-CE2 3.49Å; D214-Y217 PolarHBondContact O-N 2.82Å; D214-Y217 VanDerWaalsContact O-N 3.08Å; Y217-Y219 VanDerWaalsContact C-N 3.31Å; Y217-Y219 PolarHBondContact O-N 3.35Å; Y217-L220 HydrophobicContact CD1-CD1 4.4Å; Y217-L220 WeakPolarHBondContact O-CB 3.34Å; Y217-L220 PolarHBondContact O-N 3.44Å; Y217-L221 PolarHBondContact O-N 3.29Å; Y217-Y238 VanDerWaalsContact O-CD2 3.26Å; Y217-Y238 WeakPolarHBondContact O-CD2 3.41Å; Y217-A241 HydrophobicContact CD1-CB 4.03Å; Y217-A241 HydrophobicContact CE1-CB 3.6Å; Y217-I242 HydrophobicContact CD1-CD1 4.43Å; Y217-I242 HydrophobicContact CG-CD1 4.47Å
218E96.2Very high91.7Very high7 Ų712 Ų123%0.0337%0.074CC..Hα-helixtrans-57-46171.8-173.7-160.5130.400111.4D214 S215 F216 L220 L221 K222 L274 T425D214-E218 PolarHBondContact O-N 3.08Å; S215-E218 WeakPolarHBondContact O-CB 3.29Å; S215-E218 PolarHBondContact O-N 2.78Å; F216-E218 VanDerWaalsContact C-N 3.35Å; E218-L220 VanDerWaalsContact C-N 3.3Å; E218-L220 PolarHBondContact O-N 2.97Å; E218-L221 PolarHBondContact O-N 2.88Å; E218-K222 HydrophobicContact CG-CD 3.71Å; E218-K222 VanDerWaalsContact CG-CE 3.48Å; E218-K222 HydrophobicContact CG-CG 4.25Å; E218-K222 WeakPolarHBondContact O-CB 3.42Å; E218-K222 WeakPolarHBondContact O-CG 3.5Å; E218-K222 PolarHBondContact O-N 3.04Å; E218-K222 WeakPolarHBondContact OE1-CD 3.39Å; E218-K222 WeakPolarHBondContact OE1-CE 3.49Å; E218-K222 IonicContact OE1-NZ 3.17Å; E218-K222 PolarHBondContact OE1-NZ 2.88Å; E218-L274 HydrophobicContact CB-CD1 4.26Å; E218-L274 HydrophobicContact CG-CD1 4.19Å; E218-T425 WeakPolarHBondContact OE1-CA 3.45Å; E218-T425 WeakPolarHBondContact OE1-CB 3.11Å; E218-T425 PolarHBondContact OE1-N 3.37Å; E218-T425 PolarHBondContact OE2-OG1 2.83Å
219Y98.1Very high92.3Very high0 Ų015.7 Ų15.70%09%0.088CC..Hα-helixtrans-69.8-24.8179.9-89.6-137.5000113.3I84 T153 L156 E157 S215 F216 Y217 S223 N424 T425I84-Y219 WeakPolarHBondContact CG2-OH 3.27Å; T153-Y219 HydrophobicContact CG2-CD1 3.64Å; T153-Y219 HydrophobicContact CG2-CD2 3.49Å; T153-Y219 VanDerWaalsContact CG2-CD2 3.49Å; T153-Y219 HydrophobicContact CG2-CE1 3.47Å; T153-Y219 VanDerWaalsContact CG2-CE1 3.47Å; T153-Y219 HydrophobicContact CG2-CE2 3.31Å; T153-Y219 HydrophobicContact CG2-CG 3.62Å; L156-Y219 HydrophobicContact CB-CE1 4.17Å; L156-Y219 HydrophobicContact CD1-CD1 4.08Å; L156-Y219 HydrophobicContact CD1-CD2 4.2Å; L156-Y219 HydrophobicContact CD1-CE1 3.87Å; L156-Y219 HydrophobicContact CD1-CE2 4Å; L156-Y219 HydrophobicContact CD1-CG 4.26Å; L156-Y219 HydrophobicContact CG-CD1 3.79Å; L156-Y219 HydrophobicContact CG-CE1 3.78Å; L156-Y219 HydrophobicContact CG-CG 4.31Å; E157-Y219 PolarHBondContact OE1-OH 3.18Å; E157-Y219 WeakPolarHBondContact OE2-CE1 3.44Å; S215-Y219 WeakPolarHBondContact O-CB 3.38Å; S215-Y219 WeakPolarHBondContact O-CD2 3.37Å; S215-Y219 PolarHBondContact O-N 3.09Å; F216-Y219 PolarHBondContact O-N 3.02Å; Y217-Y219 VanDerWaalsContact C-N 3.31Å; Y217-Y219 PolarHBondContact O-N 3.35Å; Y219-S223 WeakPolarHBondContact O-CB 3.06Å; Y219-S223 PolarHBondContact O-N 3.14Å; Y219-S223 PolarHBondContact O-OG 2.92Å; Y219-N424 HydrophobicContact CE2-CB 4.42Å; Y219-N424 PolarHBondContact OH-ND2 2.98Å; Y219-T425 HydrophobicContact CE2-CG2 3.95Å
220L98.1Very high93.1Very high0 Ų021.2 Ų21.20%011%0.108CC..Hα-helixtrans-63.7-48.2169.5-71.4170.7000111.2F216 Y217 E218 W224 A234 M237 Y238F216-L220 HydrophobicContact CD1-CD1 4.43Å; F216-L220 HydrophobicContact CE1-CD1 3.76Å; F216-L220 HydrophobicContact CE2-CD1 4.14Å; F216-L220 HydrophobicContact CE2-CD2 4.27Å; F216-L220 HydrophobicContact CE2-CG 4.1Å; F216-L220 HydrophobicContact CZ-CD1 3.61Å; F216-L220 HydrophobicContact CZ-CD2 4.34Å; F216-L220 HydrophobicContact CZ-CG 4.09Å; F216-L220 WeakPolarHBondContact O-CG 3.32Å; F216-L220 PolarHBondContact O-N 3.09Å; Y217-L220 HydrophobicContact CD1-CD1 4.4Å; Y217-L220 WeakPolarHBondContact O-CB 3.34Å; Y217-L220 PolarHBondContact O-N 3.44Å; E218-L220 VanDerWaalsContact C-N 3.3Å; E218-L220 PolarHBondContact O-N 2.97Å; L220-W224 PolarHBondContact O-N 3.14Å; L220-A234 HydrophobicContact CD2-CB 4.03Å; L220-A234 WeakPolarHBondContact O-CB 3.4Å; L220-M237 HydrophobicContact CD1-CB 3.97Å; L220-M237 HydrophobicContact CD2-CB 3.8Å; L220-M237 HydrophobicContact CD2-CE 4.16Å; L220-M237 HydrophobicContact CD2-SD 4.11Å; L220-Y238 HydrophobicContact CB-CD2 4.34Å
221L98Very high93.9Very high0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-64.9-46.5175.5-178.969.4000111.1Y217 E218 S223 W224 L225 K235 Y238 L274 L277 H278Y217-L221 PolarHBondContact O-N 3.29Å; E218-L221 PolarHBondContact O-N 2.88Å; L221-S223 PolarHBondContact O-N 3.41Å; L221-W224 HydrophobicContact CD1-CE3 3.89Å; L221-W224 HydrophobicContact CD1-CZ3 4.21Å; L221-W224 WeakPolarHBondContact O-CB 3.33Å; L221-W224 PolarHBondContact O-N 2.61Å; L221-L225 HydrophobicContact CD2-CD1 4.49Å; L221-L225 HydrophobicContact CG-CD1 4.12Å; L221-L225 HydrophobicContact CG-CG 4.47Å; L221-L225 WeakPolarHBondContact O-CG 3.48Å; L221-L225 PolarHBondContact O-N 2.84Å; L221-K235 HydrophobicContact CD1-CD 4.5Å; L221-Y238 HydrophobicContact CB-CD2 3.92Å; L221-Y238 HydrophobicContact CB-CE2 3.85Å; L221-Y238 HydrophobicContact CB-CG 4.3Å; L221-Y238 HydrophobicContact CD1-CD1 4.4Å; L221-Y238 HydrophobicContact CD1-CE1 4.2Å; L221-L274 HydrophobicContact CB-CD1 4.24Å; L221-L274 HydrophobicContact CD2-CD1 3.58Å; L221-L277 HydrophobicContact CD2-CD2 4.39Å; L221-L277 HydrophobicContact CD2-CG 4.26Å; L221-H278 HydrophobicContact CD1-CB 4.32Å; L221-H278 HydrophobicContact CD2-CB 3.81Å
222K98.2Very high94.8Very high2 Ų225 Ų251%0.00913%0.126CC..Hα-helixtrans-67.4-33-177-69.4-176.3176.2-177.10112.3L156 E218 L225 V226 L277 V422 F423 N424L156-K222 HydrophobicContact CD1-CB 3.94Å; L156-K222 HydrophobicContact CD2-CB 4.31Å; E218-K222 HydrophobicContact CG-CD 3.71Å; E218-K222 VanDerWaalsContact CG-CE 3.48Å; E218-K222 HydrophobicContact CG-CG 4.25Å; E218-K222 WeakPolarHBondContact O-CB 3.42Å; E218-K222 WeakPolarHBondContact O-CG 3.5Å; E218-K222 PolarHBondContact O-N 3.04Å; E218-K222 WeakPolarHBondContact OE1-CD 3.39Å; E218-K222 WeakPolarHBondContact OE1-CE 3.49Å; E218-K222 IonicContact OE1-NZ 3.17Å; E218-K222 PolarHBondContact OE1-NZ 2.88Å; K222-L225 PolarHBondContact O-N 2.79Å; K222-V226 WeakPolarHBondContact O-CB 3.31Å; K222-V226 PolarHBondContact O-N 2.94Å; K222-L277 HydrophobicContact CG-CD2 4.28Å; K222-V422 HydrophobicContact CB-CG1 3.8Å; K222-V422 HydrophobicContact CD-CG1 4.11Å; K222-V422 HydrophobicContact CG-CG1 3.81Å; K222-F423 WeakPolarHBondContact CD-O 3.31Å; K222-F423 WeakPolarHBondContact CE-O 3.11Å; K222-F423 PolarHBondContact NZ-O 3.5Å; K222-N424 PolarHBondContact NZ-O 3.04Å; K222-N424 VanDerWaalsContact NZ-O 3.09Å
223S97.8Very high95.4Very high0 Ų024.6 Ų24.60%012%0.124CC..Hα-helixtrans-61.4-42.9170.7-77.90000111.7R178 Y219 L221 T227R178-S223 PolarHBondContact NH2-OG 3.45Å; R178-S223 VanDerWaalsContact NH2-OG 3.17Å; Y219-S223 WeakPolarHBondContact O-CB 3.06Å; Y219-S223 PolarHBondContact O-N 3.14Å; Y219-S223 PolarHBondContact O-OG 2.92Å; L221-S223 PolarHBondContact O-N 3.41Å; S223-T227 WeakPolarHBondContact O-CB 3.46Å; S223-T227 VanDerWaalsContact O-CG2 3.3Å; S223-T227 WeakPolarHBondContact O-CG2 3.1Å; S223-T227 PolarHBondContact O-N 3.45Å; S223-T227 PolarHBondContact O-OG1 3.09Å
224W97.6Very high96Very high25 Ų2524.6 Ų24.610%0.09512%0.124CC..Hα-helixtrans-61.7-46.1173.6174.969.2000111.7L220 L221 T227 K229 K235 F281 D282L220-W224 PolarHBondContact O-N 3.14Å; L221-W224 HydrophobicContact CD1-CE3 3.89Å; L221-W224 HydrophobicContact CD1-CZ3 4.21Å; L221-W224 WeakPolarHBondContact O-CB 3.33Å; L221-W224 PolarHBondContact O-N 2.61Å; W224-T227 PolarHBondContact O-OG1 2.82Å; W224-T227 VanDerWaalsContact O-OG1 3.06Å; W224-K229 HydrophobicContact CD2-CB 4.35Å; W224-K229 HydrophobicContact CD2-CG 4.24Å; W224-K229 HydrophobicContact CH2-CD 3.89Å; W224-K229 HydrophobicContact CH2-CG 4.06Å; W224-K229 HydrophobicContact CZ2-CB 3.77Å; W224-K229 HydrophobicContact CZ2-CD 3.59Å; W224-K229 HydrophobicContact CZ2-CG 3.58Å; W224-K229 VanDerWaalsContact NE1-CA 3.29Å; W224-K229 PolarHBondContact NE1-O 3.23Å; W224-K229 WeakPolarHBondContact O-CA 3.42Å; W224-K229 PolarHBondContact O-N 2.94Å; W224-K235 HydrophobicContact CB-CB 4.05Å; W224-K235 HydrophobicContact CD2-CB 4.24Å; W224-K235 HydrophobicContact CD2-CD 3.89Å; W224-K235 HydrophobicContact CD2-CG 4.12Å; W224-K235 HydrophobicContact CE3-CD 3.95Å; W224-K235 HydrophobicContact CG-CB 3.75Å; W224-K235 HydrophobicContact CG-CD 4.23Å; W224-K235 HydrophobicContact CG-CG 4.17Å; W224-K235 HydrophobicContact CZ3-CD 4.36Å; W224-F281 HydrophobicContact CH2-CB 4.25Å; W224-F281 WeakPolarHBondContact CH2-O 3.13Å; W224-F281 HydrophobicContact CZ3-CB 3.98Å; W224-D282 HydrophobicContact CH2-CB 4.32Å
225L97.5Very high96.5Very high8 Ų823.5 Ų23.54%0.04212%0.117CC..Hα-helixtrans-65.2-48.6180-65.5175.5000112.6L221 K222 T227 G228 L277 F281 V422L221-L225 HydrophobicContact CD2-CD1 4.49Å; L221-L225 HydrophobicContact CG-CD1 4.12Å; L221-L225 HydrophobicContact CG-CG 4.47Å; L221-L225 WeakPolarHBondContact O-CG 3.48Å; L221-L225 PolarHBondContact O-N 2.84Å; K222-L225 PolarHBondContact O-N 2.79Å; L225-T227 PolarHBondContact O-N 2.66Å; L225-G228 PolarHBondContact O-N 3.16Å; L225-L277 HydrophobicContact CD1-CD1 3.96Å; L225-L277 HydrophobicContact CD1-CD2 3.94Å; L225-L277 HydrophobicContact CD1-CG 3.81Å; L225-F281 HydrophobicContact CD1-CD2 4.04Å; L225-F281 HydrophobicContact CD1-CE2 4.43Å; L225-F281 HydrophobicContact CD2-CB 3.54Å; L225-F281 HydrophobicContact CD2-CD1 4.21Å; L225-F281 HydrophobicContact CD2-CD2 3.54Å; L225-F281 HydrophobicContact CD2-CE2 4.33Å; L225-F281 HydrophobicContact CD2-CG 3.47Å; L225-F281 VanDerWaalsContact CD2-CG 3.47Å; L225-F281 HydrophobicContact CG-CD2 4.46Å; L225-V422 HydrophobicContact CB-CG2 3.69Å
226V95.8Very high96.6Very high0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-66.8-27-174.188.40000112L156 K222 G228 V422 F430 V432 R433 L434L156-V226 HydrophobicContact CD2-CB 4.28Å; L156-V226 HydrophobicContact CD2-CG1 3.7Å; K222-V226 WeakPolarHBondContact O-CB 3.31Å; K222-V226 PolarHBondContact O-N 2.94Å; V226-G228 PolarHBondContact O-N 3.23Å; V226-V422 HydrophobicContact CB-CB 4.36Å; V226-V422 HydrophobicContact CB-CG2 4.31Å; V226-V422 HydrophobicContact CG2-CB 4.22Å; V226-V422 HydrophobicContact CG2-CG2 4.44Å; V226-F430 HydrophobicContact CG2-CB 3.87Å; V226-V432 CarbonylContact O-C 3.48Å; V226-R433 WeakPolarHBondContact O-CA 3.38Å; V226-R433 PolarHBondContact O-N 3.29Å; V226-L434 HydrophobicContact CB-CD1 4.34Å; V226-L434 HydrophobicContact CG1-CD1 3.66Å; V226-L434 HydrophobicContact CG1-CG 4.27Å; V226-L434 HydrophobicContact CG2-CD1 3.75Å; V226-L434 HydrophobicContact CG2-CD2 3.81Å; V226-L434 HydrophobicContact CG2-CG 3.7Å; V226-L434 PolarHBondContact O-N 3.43Å
227T95Very high96.7Very high13 Ų1326.2 Ų26.28%0.0814%0.137CC..THydrogen-bonded Turntrans-82.16.2174.357.90000112.9E159 S223 W224 L225 R230 D231E159-T227 WeakPolarHBondContact OE1-CG2 3.29Å; S223-T227 WeakPolarHBondContact O-CB 3.46Å; S223-T227 VanDerWaalsContact O-CG2 3.3Å; S223-T227 WeakPolarHBondContact O-CG2 3.1Å; S223-T227 PolarHBondContact O-N 3.45Å; S223-T227 PolarHBondContact O-OG1 3.09Å; W224-T227 PolarHBondContact O-OG1 2.82Å; W224-T227 VanDerWaalsContact O-OG1 3.06Å; L225-T227 PolarHBondContact O-N 2.66Å; T227-R230 WeakPolarHBondContact O-CB 3.22Å; T227-R230 VanDerWaalsContact O-CD 3.29Å; T227-R230 WeakPolarHBondContact O-CD 3.29Å; T227-R230 WeakPolarHBondContact O-CG 3.47Å; T227-R230 PolarHBondContact OG1-N 3.48Å; T227-D231 HydrophobicContact CG2-CB 4.19Å; T227-D231 PolarHBondContact OG1-N 2.99Å
228G94.2Very high96.7Very high21 Ų2126.2 Ų26.222%0.21614%0.137CC..THydrogen-bonded Turntrans6939.9-175.500000112.2L225 V226 R230L225-G228 PolarHBondContact O-N 3.16Å; V226-G228 PolarHBondContact O-N 3.23Å; G228-R230 VanDerWaalsContact C-N 3.34Å
229K94.8Very high96.6Very high95 Ų9528.5 Ų28.541%0.41315%0.149SC..SBendtrans69.523.4-178.7-52.1-177.9-174.9-170.60114.5W224 F281W224-K229 HydrophobicContact CD2-CB 4.35Å; W224-K229 HydrophobicContact CD2-CG 4.24Å; W224-K229 HydrophobicContact CH2-CD 3.89Å; W224-K229 HydrophobicContact CH2-CG 4.06Å; W224-K229 HydrophobicContact CZ2-CB 3.77Å; W224-K229 HydrophobicContact CZ2-CD 3.59Å; W224-K229 HydrophobicContact CZ2-CG 3.58Å; W224-K229 VanDerWaalsContact NE1-CA 3.29Å; W224-K229 PolarHBondContact NE1-O 3.23Å; W224-K229 WeakPolarHBondContact O-CA 3.42Å; W224-K229 PolarHBondContact O-N 2.94Å; K229-F281 PolarHBondContact NZ-O 3.22Å
230R94.9Very high96.3Very high128 Ų12832.4 Ų32.448%0.48317%0.167SC..  trans-92.9-31-176.3-64.2176.7-169.5158.25.6113.7T227 G228 T232 S435 D436T227-R230 WeakPolarHBondContact O-CB 3.22Å; T227-R230 VanDerWaalsContact O-CD 3.29Å; T227-R230 WeakPolarHBondContact O-CD 3.29Å; T227-R230 WeakPolarHBondContact O-CG 3.47Å; T227-R230 PolarHBondContact OG1-N 3.48Å; G228-R230 VanDerWaalsContact C-N 3.34Å; R230-T232 PolarHBondContact O-N 3.33Å; R230-S435 PolarHBondContact NH1-OG 3.22Å; R230-D436 IonicContact CZ-OD1 2.7Å; R230-D436 IonicContact CZ-OD2 2.79Å; R230-D436 IonicContact NH1-OD1 2.88Å; R230-D436 PolarHBondContact NH1-OD1 2.92Å; R230-D436 IonicContact NH1-OD2 3.54Å; R230-D436 IonicContact NH2-OD1 3.92Å; R230-D436 PolarHBondContact NH2-OD1 3.34Å; R230-D436 IonicContact NH2-OD2 3.45Å; R230-D436 PolarHBondContact NH2-OD2 3.07Å
231D96Very high95.9Very high30 Ų3032.4 Ų32.416%0.1617%0.167CC..  trans-75.676174.8-171.7-4.6000111T227 L233 A234 K235T227-D231 HydrophobicContact CG2-CB 4.19Å; T227-D231 PolarHBondContact OG1-N 2.99Å; D231-L233 PolarHBondContact O-N 2.81Å; D231-L233 PolarHBondContact OD1-N 3.46Å; D231-A234 HydrophobicContact CB-CB 4.3Å; D231-A234 PolarHBondContact O-N 3.27Å; D231-A234 WeakPolarHBondContact OD1-CB 3.31Å; D231-A234 PolarHBondContact OD1-N 2.83Å; D231-A234 WeakPolarHBondContact OD2-CB 3.06Å; D231-K235 PolarHBondContact O-N 3.47Å
232T96.6Very high95.5Very high102 Ų10232.4 Ų32.463%0.62617%0.167SC*.Hα-helixtrans-69.7-23.3179.552.90000112.6R230 S236R230-T232 PolarHBondContact O-N 3.33Å; T232-S236 PolarHBondContact O-N 3.48Å; T232-S236 PolarHBondContact O-OG 3.24Å
233L97.7Very high94.9Very high41 Ų4134 Ų3422%0.21518%0.181CC..Hα-helixtrans-66.7-50.9174.9174.159.6000110.1R178 N182 D231 K235 S236 M237R178-L233 HydrophobicContact CG-CD2 4.23Å; N182-L233 HydrophobicContact CB-CD1 4.31Å; N182-L233 WeakPolarHBondContact ND2-CD1 3.27Å; D231-L233 PolarHBondContact O-N 2.81Å; D231-L233 PolarHBondContact OD1-N 3.46Å; L233-K235 VanDerWaalsContact C-N 3.29Å; L233-K235 PolarHBondContact O-N 2.92Å; L233-S236 PolarHBondContact O-N 2.59Å; L233-S236 VanDerWaalsContact O-N 3.16Å; L233-S236 PolarHBondContact O-OG 3.3Å; L233-M237 HydrophobicContact CD1-CG 4.23Å; L233-M237 HydrophobicContact CD1-SD 4.15Å; L233-M237 HydrophobicContact CG-SD 4.11Å; L233-M237 WeakPolarHBondContact O-CG 3.13Å; L233-M237 PolarHBondContact O-N 2.75Å
234A97.8Very high94.2Very high0 Ų036.3 Ų36.30%019%0.193CC..Hα-helixtrans-58.6-42.4176.300000111.7L220 D231 S236 M237 Y238L220-A234 HydrophobicContact CD2-CB 4.03Å; L220-A234 WeakPolarHBondContact O-CB 3.4Å; D231-A234 HydrophobicContact CB-CB 4.3Å; D231-A234 PolarHBondContact O-N 3.27Å; D231-A234 WeakPolarHBondContact OD1-CB 3.31Å; D231-A234 PolarHBondContact OD1-N 2.83Å; D231-A234 WeakPolarHBondContact OD2-CB 3.06Å; A234-S236 PolarHBondContact O-N 3.09Å; A234-M237 PolarHBondContact O-N 3.46Å; A234-Y238 WeakPolarHBondContact O-CB 3.03Å; A234-Y238 PolarHBondContact O-N 2.93Å
235K97.4Very high93.2Very high18 Ų1835.5 Ų35.58%0.07819%0.191CC..Hα-helixtrans-60-44.7174.7-173.256164.874.50112.7L221 W224 D231 L233 M237 Y238 D239 H278 D282L221-K235 HydrophobicContact CD1-CD 4.5Å; W224-K235 HydrophobicContact CB-CB 4.05Å; W224-K235 HydrophobicContact CD2-CB 4.24Å; W224-K235 HydrophobicContact CD2-CD 3.89Å; W224-K235 HydrophobicContact CD2-CG 4.12Å; W224-K235 HydrophobicContact CE3-CD 3.95Å; W224-K235 HydrophobicContact CG-CB 3.75Å; W224-K235 HydrophobicContact CG-CD 4.23Å; W224-K235 HydrophobicContact CG-CG 4.17Å; W224-K235 HydrophobicContact CZ3-CD 4.36Å; D231-K235 PolarHBondContact O-N 3.47Å; L233-K235 VanDerWaalsContact C-N 3.29Å; L233-K235 PolarHBondContact O-N 2.92Å; K235-M237 PolarHBondContact O-N 3.17Å; K235-Y238 WeakPolarHBondContact O-CB 3.32Å; K235-Y238 PolarHBondContact O-N 3.31Å; K235-D239 IonicContact NZ-OD1 3.85Å; K235-D239 PolarHBondContact NZ-OD1 2.87Å; K235-D239 IonicContact NZ-OD2 3.49Å; K235-D239 PolarHBondContact NZ-OD2 3.27Å; K235-D239 VanDerWaalsContact O-CG 3.31Å; K235-D239 PolarHBondContact O-N 3.27Å; K235-H278 PolarHBondContact NZ-NE2 2.69Å; K235-D282 WeakPolarHBondContact CE-OD2 3.37Å; K235-D282 IonicContact NZ-OD2 2.66Å; K235-D282 PolarHBondContact NZ-OD2 3.33Å
236S96.9Very high92.2Very high59 Ų5937.6 Ų37.641%0.41320%0.202SC..Hα-helixtrans-64.9-39.8178.367.70000112.9T232 L233 A234 Y238 D239 E240T232-S236 PolarHBondContact O-N 3.48Å; T232-S236 PolarHBondContact O-OG 3.24Å; L233-S236 PolarHBondContact O-N 2.59Å; L233-S236 VanDerWaalsContact O-N 3.16Å; L233-S236 PolarHBondContact O-OG 3.3Å; A234-S236 PolarHBondContact O-N 3.09Å; S236-Y238 VanDerWaalsContact C-N 3.31Å; S236-Y238 PolarHBondContact O-N 2.7Å; S236-D239 PolarHBondContact O-N 3.09Å; S236-E240 WeakPolarHBondContact O-CB 3.4Å; S236-E240 PolarHBondContact O-N 2.95Å
237M96.7Very high90.9Very high1 Ų143.6 Ų43.61%0.00523%0.233CC..Hα-helixtrans-65.7-37.1176.9-72.7174.17200111.2R178 L181 N182 Y191 F216 L220 L233 A234 K235 A241R178-M237 HydrophobicContact CG-SD 4.29Å; L181-M237 HydrophobicContact CB-CE 3.85Å; N182-M237 HydrophobicContact CB-CE 4.3Å; N182-M237 HydrophobicContact CB-SD 3.94Å; Y191-M237 HydrophobicContact CE1-CE 4.22Å; Y191-M237 WeakPolarHBondContact OH-CE 3.4Å; F216-M237 HydrophobicContact CZ-CE 4.28Å; L220-M237 HydrophobicContact CD1-CB 3.97Å; L220-M237 HydrophobicContact CD2-CB 3.8Å; L220-M237 HydrophobicContact CD2-CE 4.16Å; L220-M237 HydrophobicContact CD2-SD 4.11Å; L233-M237 HydrophobicContact CD1-CG 4.23Å; L233-M237 HydrophobicContact CD1-SD 4.15Å; L233-M237 HydrophobicContact CG-SD 4.11Å; L233-M237 WeakPolarHBondContact O-CG 3.13Å; L233-M237 PolarHBondContact O-N 2.75Å; A234-M237 PolarHBondContact O-N 3.46Å; K235-M237 PolarHBondContact O-N 3.17Å; M237-A241 WeakPolarHBondContact O-CB 3.42Å; M237-A241 PolarHBondContact O-N 2.77Å
238Y95.4Very high89.4Confident0 Ų047.5 Ų47.50%025%0.253CS..Hα-helixtrans-64.3-54.2174175.6-96.5000111.1Y217 L220 L221 A234 K235 S236 E240 A241 I242 L274 H278Y217-Y238 VanDerWaalsContact O-CD2 3.26Å; Y217-Y238 WeakPolarHBondContact O-CD2 3.41Å; L220-Y238 HydrophobicContact CB-CD2 4.34Å; L221-Y238 HydrophobicContact CB-CD2 3.92Å; L221-Y238 HydrophobicContact CB-CE2 3.85Å; L221-Y238 HydrophobicContact CB-CG 4.3Å; L221-Y238 HydrophobicContact CD1-CD1 4.4Å; L221-Y238 HydrophobicContact CD1-CE1 4.2Å; A234-Y238 WeakPolarHBondContact O-CB 3.03Å; A234-Y238 PolarHBondContact O-N 2.93Å; K235-Y238 WeakPolarHBondContact O-CB 3.32Å; K235-Y238 PolarHBondContact O-N 3.31Å; S236-Y238 VanDerWaalsContact C-N 3.31Å; S236-Y238 PolarHBondContact O-N 2.7Å; Y238-E240 PolarHBondContact O-N 2.75Å; Y238-A241 PolarHBondContact O-N 2.74Å; Y238-I242 HydrophobicContact CD1-CG1 4.34Å; Y238-I242 HydrophobicContact CD2-CG1 3.79Å; Y238-I242 HydrophobicContact CE1-CG1 4.1Å; Y238-I242 HydrophobicContact CE2-CD1 4.13Å; Y238-I242 HydrophobicContact CE2-CG1 3.54Å; Y238-I242 HydrophobicContact CG-CG1 4.19Å; Y238-I242 WeakPolarHBondContact O-CB 3.2Å; Y238-I242 VanDerWaalsContact O-CG1 3.32Å; Y238-I242 WeakPolarHBondContact O-CG1 3.41Å; Y238-I242 PolarHBondContact O-N 2.81Å; Y238-L274 HydrophobicContact CE2-CD1 4.19Å; Y238-L274 HydrophobicContact CE2-CD2 4.25Å; Y238-L274 HydrophobicContact CE2-CG 4.4Å; Y238-H278 AromaticContact CE1-CE1 3.73Å; Y238-H278 AromaticContact CE1-CG 4Å; Y238-H278 AromaticContact CE1-ND1 3.54Å
239D94.2Very high87.7Confident55 Ų5547.5 Ų47.529%0.29425%0.249SC..Hα-helixtrans-59.9-45.3-176.3-70.9-24.4000111.7K235 S236 A243 H278K235-D239 IonicContact NZ-OD1 3.85Å; K235-D239 PolarHBondContact NZ-OD1 2.87Å; K235-D239 IonicContact NZ-OD2 3.49Å; K235-D239 PolarHBondContact NZ-OD2 3.27Å; K235-D239 VanDerWaalsContact O-CG 3.31Å; K235-D239 PolarHBondContact O-N 3.27Å; S236-D239 PolarHBondContact O-N 3.09Å; D239-A243 WeakPolarHBondContact O-CB 3.45Å; D239-A243 PolarHBondContact O-N 2.94Å; D239-H278 IonicContact OD1-CE1 2.76Å
240E92.4Very high85.3Confident82 Ų8250.8 Ų50.838%0.38326%0.264SS..Hα-helixtrans-58.1-51.4177-174-168.617800110.9K186 S236 Y238 L244K186-E240 VanDerWaalsContact NZ-CD 3.31Å; K186-E240 IonicContact NZ-OE1 3.11Å; K186-E240 PolarHBondContact NZ-OE1 3.38Å; K186-E240 IonicContact NZ-OE2 3.98Å; K186-E240 PolarHBondContact NZ-OE2 3.42Å; S236-E240 WeakPolarHBondContact O-CB 3.4Å; S236-E240 PolarHBondContact O-N 2.95Å; Y238-E240 PolarHBondContact O-N 2.75Å; E240-L244 HydrophobicContact CG-CD1 4.2Å; E240-L244 WeakPolarHBondContact O-CB 3.47Å; E240-L244 VanDerWaalsContact O-CG 3.27Å; E240-L244 WeakPolarHBondContact O-CG 3.47Å; E240-L244 PolarHBondContact O-N 3.36Å
241A89.6Confident82.6Confident0 Ų048 Ų480%026%0.258CS..Hα-helixtrans-71.1-39.9-174.700000113L190 Y191 Y217 M237 Y238 T245L190-A241 WeakPolarHBondContact CD2-O 3.42Å; Y191-A241 HydrophobicContact CD2-CB 4.35Å; Y191-A241 HydrophobicContact CE2-CB 3.92Å; Y217-A241 HydrophobicContact CD1-CB 4.03Å; Y217-A241 HydrophobicContact CE1-CB 3.6Å; M237-A241 WeakPolarHBondContact O-CB 3.42Å; M237-A241 PolarHBondContact O-N 2.77Å; Y238-A241 PolarHBondContact O-N 2.74Å; A241-T245 VanDerWaalsContact O-CB 3.31Å; A241-T245 WeakPolarHBondContact O-CB 3.44Å; A241-T245 PolarHBondContact O-N 3.07Å; A241-T245 PolarHBondContact O-OG1 3.31Å
242I88.1Confident80.1Confident1 Ų149.3 Ų49.31%0.00526%0.263CS..Hα-helixtrans-72-41.5179.9-66.5-59.1000110.8Y217 Y238 T245 I246 F275 Y289Y217-I242 HydrophobicContact CD1-CD1 4.43Å; Y217-I242 HydrophobicContact CG-CD1 4.47Å; Y238-I242 HydrophobicContact CD1-CG1 4.34Å; Y238-I242 HydrophobicContact CD2-CG1 3.79Å; Y238-I242 HydrophobicContact CE1-CG1 4.1Å; Y238-I242 HydrophobicContact CE2-CD1 4.13Å; Y238-I242 HydrophobicContact CE2-CG1 3.54Å; Y238-I242 HydrophobicContact CG-CG1 4.19Å; Y238-I242 WeakPolarHBondContact O-CB 3.2Å; Y238-I242 VanDerWaalsContact O-CG1 3.32Å; Y238-I242 WeakPolarHBondContact O-CG1 3.41Å; Y238-I242 PolarHBondContact O-N 2.81Å; I242-T245 PolarHBondContact O-N 3.48Å; I242-I246 HydrophobicContact CG2-CD1 4.05Å; I242-I246 WeakPolarHBondContact O-CG1 3.41Å; I242-I246 PolarHBondContact O-N 3.36Å; I242-F275 HydrophobicContact CD1-CE1 4.29Å; I242-F275 HydrophobicContact CG2-CE1 3.75Å; I242-F275 HydrophobicContact CG2-CZ 4.21Å; I242-Y289 HydrophobicContact CG2-CD1 4.48Å; I242-Y289 HydrophobicContact CG2-CE1 3.44Å; I242-Y289 VanDerWaalsContact CG2-CE1 3.44Å
243A87.2Confident77.5Confident36 Ų3644.8 Ų44.830%0.29824%0.235SC..Hα-helixtrans-61.9-46.4175.400000111.3D239 T245 I246 I247D239-A243 WeakPolarHBondContact O-CB 3.45Å; D239-A243 PolarHBondContact O-N 2.94Å; A243-T245 VanDerWaalsContact C-N 3.32Å; A243-T245 PolarHBondContact O-N 3.26Å; A243-I246 PolarHBondContact O-N 3.24Å; A243-I247 WeakPolarHBondContact O-CB 3.46Å; A243-I247 VanDerWaalsContact O-CG1 3.25Å; A243-I247 WeakPolarHBondContact O-CG1 3.16Å; A243-I247 PolarHBondContact O-N 3.03Å
244L83Confident74.9Confident47 Ų4744 Ų4425%0.24623%0.233CC..Hα-helixtrans-62.9-39.1174.7-75.7175000112.3L190 E240 I247 N248L190-L244 HydrophobicContact CD2-CB 3.88Å; L190-L244 HydrophobicContact CG-CB 4.46Å; E240-L244 HydrophobicContact CG-CD1 4.2Å; E240-L244 WeakPolarHBondContact O-CB 3.47Å; E240-L244 VanDerWaalsContact O-CG 3.27Å; E240-L244 WeakPolarHBondContact O-CG 3.47Å; E240-L244 PolarHBondContact O-N 3.36Å; L244-I247 PolarHBondContact O-N 3.08Å; L244-N248 VanDerWaalsContact O-CB 3.32Å; L244-N248 WeakPolarHBondContact O-CB 3.44Å; L244-N248 PolarHBondContact O-N 3.29Å; L244-N248 PolarHBondContact O-ND2 2.84Å
245T76.8Confident72.2Confident9 Ų948.5 Ų48.56%0.05525%0.254CS..Hα-helixtrans-60.6-53.4175.2-58.20000108.8L190 I209 A241 I242 A243 I247 N248 S249L190-T245 WeakPolarHBondContact CD2-OG1 3.49Å; I209-T245 HydrophobicContact CD1-CG2 3.69Å; I209-T245 HydrophobicContact CG1-CG2 4.06Å; I209-T245 HydrophobicContact CG2-CG2 3.84Å; A241-T245 VanDerWaalsContact O-CB 3.31Å; A241-T245 WeakPolarHBondContact O-CB 3.44Å; A241-T245 PolarHBondContact O-N 3.07Å; A241-T245 PolarHBondContact O-OG1 3.31Å; I242-T245 PolarHBondContact O-N 3.48Å; A243-T245 VanDerWaalsContact C-N 3.32Å; A243-T245 PolarHBondContact O-N 3.26Å; T245-I247 PolarHBondContact O-N 3.23Å; T245-N248 PolarHBondContact O-N 3.06Å; T245-S249 WeakPolarHBondContact CG2-OG 3.02Å; T245-S249 VanDerWaalsContact O-CA 3.29Å; T245-S249 WeakPolarHBondContact O-CA 3.49Å; T245-S249 WeakPolarHBondContact O-CB 3.05Å; T245-S249 PolarHBondContact O-N 3.38Å; T245-S249 PolarHBondContact O-OG 2.84Å
246I75.4Confident69.7Low51 Ų5150.3 Ų50.326%0.26226%0.264SS..Hα-helixtrans-56.8-45.4179.1-69.8171.6000112.6I242 A243 S249 F250 Y289 L292I242-I246 HydrophobicContact CG2-CD1 4.05Å; I242-I246 WeakPolarHBondContact O-CG1 3.41Å; I242-I246 PolarHBondContact O-N 3.36Å; A243-I246 PolarHBondContact O-N 3.24Å; I246-S249 CarbonylContact O-C 3.58Å; I246-S249 PolarHBondContact O-N 3.2Å; I246-F250 PolarHBondContact O-N 2.99Å; I246-Y289 HydrophobicContact CD1-CD1 3.93Å; I246-Y289 HydrophobicContact CD1-CE1 3.18Å; I246-L292 HydrophobicContact CD1-CD2 3.68Å; I246-L292 HydrophobicContact CG1-CD2 4.12Å
247I69.2Low66.9Low127 Ų12751.1 Ų51.165%0.65127%0.27SS*.Hα-helixtrans-63.3-47.3-179.5-69165.3000111.3A243 L244 T245 S249A243-I247 WeakPolarHBondContact O-CB 3.46Å; A243-I247 VanDerWaalsContact O-CG1 3.25Å; A243-I247 WeakPolarHBondContact O-CG1 3.16Å; A243-I247 PolarHBondContact O-N 3.03Å; L244-I247 PolarHBondContact O-N 3.08Å; T245-I247 PolarHBondContact O-N 3.23Å; I247-S249 PolarHBondContact O-N 3.32Å
248N63.4Low64.2Low95 Ų9554 Ų5451%0.50829%0.285SS..Hα-helixtrans-75-17.7177.6-69.8-70.8000112.3L244 T245L244-N248 VanDerWaalsContact O-CB 3.32Å; L244-N248 WeakPolarHBondContact O-CB 3.44Å; L244-N248 PolarHBondContact O-N 3.29Å; L244-N248 PolarHBondContact O-ND2 2.84Å; T245-N248 PolarHBondContact O-N 3.06Å
249S58.1Low61.8Low20 Ų2054.2 Ų54.214%0.1429%0.286CS..THydrogen-bonded Turntrans-109.436.1-171.3-56.50000114T245 I246 I247 L251 F252T245-S249 WeakPolarHBondContact CG2-OG 3.02Å; T245-S249 VanDerWaalsContact O-CA 3.29Å; T245-S249 WeakPolarHBondContact O-CA 3.49Å; T245-S249 WeakPolarHBondContact O-CB 3.05Å; T245-S249 PolarHBondContact O-N 3.38Å; T245-S249 PolarHBondContact O-OG 2.84Å; I246-S249 CarbonylContact O-C 3.58Å; I246-S249 PolarHBondContact O-N 3.2Å; I247-S249 PolarHBondContact O-N 3.32Å; S249-L251 PolarHBondContact O-N 2.83Å; S249-F252 VanDerWaalsContact CB-CD2 3.42Å; S249-F252 PolarHBondContact O-N 2.7Å; S249-F252 WeakPolarHBondContact OG-CD2 3.42Å
250F44.9Very low59.3Low164 Ų16458.5 Ų58.572%0.71930%0.298SS*.THydrogen-bonded Turntrans-54.9-4.2148.5-124.9-91.5000112.1I246 L258I246-F250 PolarHBondContact O-N 2.99Å; F250-L258 HydrophobicContact CD1-CD2 4.15Å; F250-L258 HydrophobicContact CE1-CD1 4.38Å; F250-L258 HydrophobicContact CE1-CD2 3.86Å
251L37.9Very low56.7Low70 Ų7059.1 Ų59.137%0.36631%0.308SS..THydrogen-bonded Turntrans-92.9-3.8166.5-91157.4000117.7S249 T261 E262S249-L251 PolarHBondContact O-N 2.83Å; L251-T261 WeakPolarHBondContact CD2-OG1 3.04Å; L251-E262 HydrophobicContact CD2-CB 3.89Å; L251-E262 HydrophobicContact CD2-CG 3.44Å; L251-E262 VanDerWaalsContact CD2-CG 3.44Å
252F42.9Very low54.4Low57 Ų5762.7 Ų62.725%0.2533%0.325CS..SBendtrans-110.474.1175.1-73.3-99.9000111.4S249 C254S249-F252 VanDerWaalsContact CB-CD2 3.42Å; S249-F252 PolarHBondContact O-N 2.7Å; S249-F252 WeakPolarHBondContact OG-CD2 3.42Å; F252-C254 PolarHBondContact O-N 3.35Å; F252-C254 VanDerWaalsContact O-N 3.13Å; F252-C254 PolarHBondContact O-SG 2.88Å
253C43.2Very low52.1Low7 Ų769 Ų695%0.04736%0.359CS..  trans3471.7133.7-172.30000117.9C259 L266 F318C253-C259 VanDerWaalsContact C-SG 3.56Å; C253-C259 WeakPolarHBondContact CA-SG 3.4Å; C253-C259 HydrophobicContact CB-CB 3.58Å; C253-C259 WeakPolarHBondContact CB-SG 3.45Å; C253-C259 WeakPolarHBondContact SG-CB 3.25Å; C253-C259 CovalentContact SG-SG 2.02Å; C253-C259 PolarHBondContact SG-SG 3.22Å; C253-L266 HydrophobicContact CB-CD1 4.02Å; C253-L266 HydrophobicContact CB-CD2 3.54Å; C253-L266 HydrophobicContact CB-CG 4.4Å; C253-L266 WeakPolarHBondContact SG-CD1 3.46Å; C253-F318 WeakPolarHBondContact SG-CD2 3.04Å; C253-F318 VanDerWaalsContact SG-CE2 3.5Å
254C42.2Very low50.5Low26 Ų2673.8 Ų73.818%0.17637%0.369CS..SBendtrans-114.8-14.9166.5-61.60000112.3F252 L292 E295 I296 T299F252-C254 PolarHBondContact O-N 3.35Å; F252-C254 VanDerWaalsContact O-N 3.13Å; F252-C254 PolarHBondContact O-SG 2.88Å; C254-L292 HydrophobicContact CB-CD1 3.63Å; C254-L292 WeakPolarHBondContact SG-CD1 3.45Å; C254-E295 CarbonylContact O-C 3.24Å; C254-E295 VanDerWaalsContact O-CB 3.3Å; C254-E295 WeakPolarHBondContact O-CB 3.43Å; C254-I296 HydrophobicContact CB-CG1 3.94Å; C254-I296 VanDerWaalsContact SG-CD1 3.58Å; C254-I296 WeakPolarHBondContact SG-CG1 3.44Å; C254-T299 PolarHBondContact O-OG1 3.3Å
255Q41Very low49Very low93 Ų9376.7 Ų76.744%0.43538%0.381SS..SBendtrans-119.1134.9173.3-142.317719.300107.3S257 L258 C259Q255-S257 WeakPolarHBondContact CG-OG 3.35Å; Q255-S257 PolarHBondContact O-N 3.48Å; Q255-S257 PolarHBondContact OE1-OG 3.09Å; Q255-L258 HydrophobicContact CB-CB 4.17Å; Q255-L258 HydrophobicContact CB-CD1 3.87Å; Q255-L258 HydrophobicContact CB-CG 4.1Å; Q255-L258 WeakPolarHBondContact O-CA 3.3Å; Q255-L258 PolarHBondContact O-N 2.75Å; Q255-C259 PolarHBondContact O-N 3.23Å; Q255-C259 VanDerWaalsContact O-N 3.12Å; Q255-C259 PolarHBondContact O-SG 3.02Å
256I45.3Very low48.3Very low56 Ų5676.7 Ų76.729%0.28738%0.381SS..THydrogen-bonded Turntrans-47.5-35.6175.5-65.4171.8000111.1E302 F318 E323I256-E302 HydrophobicContact CD1-CG 4.44Å; I256-F318 HydrophobicContact CB-CE1 4.47Å; I256-F318 HydrophobicContact CG1-CE1 4.15Å; I256-F318 HydrophobicContact CG2-CE1 4.31Å; I256-E323 HydrophobicContact CG2-CG 3.86Å; I256-E323 WeakPolarHBondContact CG2-OE1 3.47Å
257S38.7Very low48Very low77 Ų7777.7 Ų77.754%0.53838%0.383SS..THydrogen-bonded Turntrans-68.8-29.5175.738.80000115.2Q255Q255-S257 WeakPolarHBondContact CG-OG 3.35Å; Q255-S257 PolarHBondContact O-N 3.48Å; Q255-S257 PolarHBondContact OE1-OG 3.09Å
258L39.6Very low48Very low60 Ų6072 Ų7231%0.31435%0.354SS..THydrogen-bonded Turntrans-95-18-176.6-71.8168.7000113.4F250 Q255 R260F250-L258 HydrophobicContact CD1-CD2 4.15Å; F250-L258 HydrophobicContact CE1-CD1 4.38Å; F250-L258 HydrophobicContact CE1-CD2 3.86Å; Q255-L258 HydrophobicContact CB-CB 4.17Å; Q255-L258 HydrophobicContact CB-CD1 3.87Å; Q255-L258 HydrophobicContact CB-CG 4.1Å; Q255-L258 WeakPolarHBondContact O-CA 3.3Å; Q255-L258 PolarHBondContact O-N 2.75Å; L258-R260 PolarHBondContact O-N 2.6Å
259C44.9Very low48.9Very low6 Ų667.8 Ų67.84%0.04133%0.332CS..G310 helixtrans-71.1-11.8-178.8-58.60000114.6C253 Q255 T261 F318C253-C259 VanDerWaalsContact C-SG 3.56Å; C253-C259 WeakPolarHBondContact CA-SG 3.4Å; C253-C259 HydrophobicContact CB-CB 3.58Å; C253-C259 WeakPolarHBondContact CB-SG 3.45Å; C253-C259 WeakPolarHBondContact SG-CB 3.25Å; C253-C259 CovalentContact SG-SG 2.02Å; C253-C259 PolarHBondContact SG-SG 3.22Å; Q255-C259 PolarHBondContact O-N 3.23Å; Q255-C259 VanDerWaalsContact O-N 3.12Å; Q255-C259 PolarHBondContact O-SG 3.02Å; C259-T261 VanDerWaalsContact C-N 3.32Å; C259-T261 PolarHBondContact O-N 3.17Å; C259-F318 HydrophobicContact CB-CB 3.1Å; C259-F318 HydrophobicContact CB-CD1 3.85Å; C259-F318 HydrophobicContact CB-CD2 3.42Å; C259-F318 VanDerWaalsContact CB-CD2 3.42Å; C259-F318 HydrophobicContact CB-CE2 4.25Å; C259-F318 HydrophobicContact CB-CG 3.18Å; C259-F318 VanDerWaalsContact SG-CD2 3.5Å
260R41.5Very low50.3Low144 Ų14467.6 Ų67.654%0.54333%0.328SS..G310 helixtrans-70.4-18.4-173.6-72.6-175.7170.2-163.9-3.9115.1L258 E262L258-R260 PolarHBondContact O-N 2.6Å; R260-E262 PolarHBondContact O-N 3.33Å
261T38.7Very low52.5Low95 Ų9560.1 Ų60.158%0.58330%0.296SS*.G310 helixtrans-78.9-17.4-162.547.30000115.3L251 C259L251-T261 WeakPolarHBondContact CD2-OG1 3.04Å; C259-T261 VanDerWaalsContact C-N 3.32Å; C259-T261 PolarHBondContact O-N 3.17Å
262E40Very low55.1Low76 Ų7656.8 Ų56.836%0.35528%0.278SS..SBendtrans-143.4133.9169.1-78-174.4-166.700111.1L251 R260 R264L251-E262 HydrophobicContact CD2-CB 3.89Å; L251-E262 HydrophobicContact CD2-CG 3.44Å; L251-E262 VanDerWaalsContact CD2-CG 3.44Å; R260-E262 PolarHBondContact O-N 3.33Å; E262-R264 HydrophobicContact CB-CG 4.14Å; E262-R264 PolarHBondContact O-N 3.39Å; E262-R264 IonicContact OE2-CZ 2.97Å; E262-R264 IonicContact OE2-NE 2.82Å; E262-R264 PolarHBondContact OE2-NE 2.66Å; E262-R264 IonicContact OE2-NH2 3.37Å; E262-R264 PolarHBondContact OE2-NH2 2.79Å
263N41.2Very low57.6Low134 Ų13454 Ų5472%0.71727%0.267SS*.  trans-60.361.6175.3-82.9-33000113.1N319N263-N319 WeakPolarHBondContact OD1-CB 3.25Å; N263-N319 PolarHBondContact OD1-ND2 3.41Å
264R51.9Low60.1Low135 Ų13554 Ų5451%0.50927%0.266SS..  trans-111.8140.2-177.2-66.2-167.2-172.1-154.46.2112E262E262-R264 HydrophobicContact CB-CG 4.14Å; E262-R264 PolarHBondContact O-N 3.39Å; E262-R264 IonicContact OE2-CZ 2.97Å; E262-R264 IonicContact OE2-NE 2.82Å; E262-R264 PolarHBondContact OE2-NE 2.66Å; E262-R264 IonicContact OE2-NH2 3.37Å; E262-R264 PolarHBondContact OE2-NH2 2.79Å
265Q53.2Low62.6Low109 Ų10953 Ų5351%0.50926%0.259SS..EExtended strand (participates in β ladder)trans-73.4136.5171.2-64.7176.9-8.900109.7A315 F316 E331Q265-A315 HydrophobicContact CB-CB 4.4Å; Q265-F316 WeakPolarHBondContact CA-O 3.28Å; Q265-E331 VanDerWaalsContact CD-OE1 3.22Å; Q265-E331 PolarHBondContact NE2-OE1 3.47Å; Q265-E331 PolarHBondContact NE2-OE2 2.7Å; Q265-E331 PolarHBondContact OE1-OE1 2.95Å
266L61.6Low65.3Low9 Ų948.6 Ų48.65%0.04724%0.238CC..EExtended strand (participates in β ladder)trans-111.1125.4-177.2-72.8135.6000110.6C253 V268 F316 F318C253-L266 HydrophobicContact CB-CD1 4.02Å; C253-L266 HydrophobicContact CB-CD2 3.54Å; C253-L266 HydrophobicContact CB-CG 4.4Å; C253-L266 WeakPolarHBondContact SG-CD1 3.46Å; L266-V268 HydrophobicContact CB-CG2 4.28Å; L266-V268 HydrophobicContact CD2-CG1 3.74Å; L266-V268 HydrophobicContact CD2-CG2 3.98Å; L266-F316 HydrophobicContact CB-CD2 3.95Å; L266-F316 HydrophobicContact CB-CE1 4.46Å; L266-F316 HydrophobicContact CB-CE2 3.57Å; L266-F316 HydrophobicContact CB-CZ 3.87Å; L266-F316 HydrophobicContact CD1-CD2 4.15Å; L266-F316 HydrophobicContact CD1-CE2 4.04Å; L266-F316 HydrophobicContact CG-CE2 4.38Å; L266-F316 PolarHBondContact N-O 3.34Å; L266-F318 HydrophobicContact CD1-CD2 3.54Å; L266-F318 HydrophobicContact CD1-CE2 4.01Å
267K67.7Low67.8Low71 Ų7146.1 Ų46.131%0.30923%0.225SC..  trans-126.250.8166.9-63.9-167.5-179.1-1690109.5N210 A211 M269 E314 A315N210-K267 PolarHBondContact OD1-O 2.81Å; A211-K267 HydrophobicContact CB-CD 4.49Å; K267-M269 VanDerWaalsContact C-N 3.33Å; K267-E314 WeakPolarHBondContact CE-OE1 3.48Å; K267-E314 IonicContact NZ-OE1 3.88Å; K267-E314 PolarHBondContact NZ-OE1 3.18Å; K267-A315 HydrophobicContact CG-CB 4.29Å
268V69.3Low70.5Confident7 Ų742.6 Ų42.64%0.04220%0.2CC..  trans-92.910-174-67.10000113N210 L266 H270 L271 I296 F316N210-V268 WeakPolarHBondContact OD1-CG1 3.29Å; L266-V268 HydrophobicContact CB-CG2 4.28Å; L266-V268 HydrophobicContact CD2-CG1 3.74Å; L266-V268 HydrophobicContact CD2-CG2 3.98Å; V268-H270 PolarHBondContact O-N 3.32Å; V268-H270 VanDerWaalsContact O-N 3.16Å; V268-L271 HydrophobicContact CB-CD1 3.92Å; V268-L271 HydrophobicContact CB-CG 4.47Å; V268-L271 HydrophobicContact CG1-CD1 3.97Å; V268-L271 WeakPolarHBondContact O-CB 3.37Å; V268-L271 PolarHBondContact O-N 3.22Å; V268-I296 HydrophobicContact CG2-CG2 4.47Å; V268-F316 HydrophobicContact CG2-CZ 4.32Å
269M83.4Confident73.2Confident8 Ų840.3 Ų40.34%0.03919%0.189CC..THydrogen-bonded Turntrans-63.4-27.7-165.7-64.5-175.5-70.100113.7K267 C300 F316 E339 V340 S343K267-M269 VanDerWaalsContact C-N 3.33Å; M269-C300 HydrophobicContact CG-CB 4.36Å; M269-F316 HydrophobicContact CG-CE1 4.21Å; M269-F316 HydrophobicContact SD-CE1 4.35Å; M269-E339 HydrophobicContact CB-CB 3.73Å; M269-V340 HydrophobicContact CB-CG2 3.88Å; M269-V340 HydrophobicContact CG-CG2 3.85Å; M269-V340 HydrophobicContact SD-CG2 3.41Å; M269-V340 WeakPolarHBondContact SD-CG2 3.37Å; M269-S343 PolarHBondContact O-OG 2.87Å
270H87.5Confident75.7Confident15 Ų1542.7 Ų42.77%0.06920%0.2CC..THydrogen-bonded Turntrans-78.4-21.9177.970.9-84.7000113.1I209 D214 V268 G272 G273 L274 E339I209-H270 PolarHBondContact O-CE1 3.22Å; I209-H270 PolarHBondContact O-NE2 3.17Å; D214-H270 VanDerWaalsContact CB-CE1 3.44Å; D214-H270 WeakPolarHBondContact CB-CE1 3.23Å; V268-H270 PolarHBondContact O-N 3.32Å; V268-H270 VanDerWaalsContact O-N 3.16Å; H270-G272 VanDerWaalsContact C-N 3.29Å; H270-G272 PolarHBondContact O-N 3.31Å; H270-G273 PolarHBondContact O-N 2.76Å; H270-G273 VanDerWaalsContact O-N 3.16Å; H270-L274 PolarHBondContact O-N 3.18Å; H270-E339 HydrophobicContact CB-CB 4.28Å; H270-E339 HydrophobicContact CB-CG 4.31Å
271L90.3Very high78.2Confident7 Ų737.2 Ų37.24%0.03718%0.18CC..Hα-helixtrans-66.1-30.8-172.9-67.3179.4000113I209 V268 G273 L274 F275 I296I209-L271 HydrophobicContact CD1-CD1 3.48Å; I209-L271 VanDerWaalsContact CD1-CD1 3.48Å; I209-L271 HydrophobicContact CD1-CD2 3.97Å; I209-L271 HydrophobicContact CD1-CG 4.4Å; I209-L271 HydrophobicContact CG1-CD1 4.21Å; V268-L271 HydrophobicContact CB-CD1 3.92Å; V268-L271 HydrophobicContact CB-CG 4.47Å; V268-L271 HydrophobicContact CG1-CD1 3.97Å; V268-L271 WeakPolarHBondContact O-CB 3.37Å; V268-L271 PolarHBondContact O-N 3.22Å; L271-G273 VanDerWaalsContact C-N 3.34Å; L271-L274 HydrophobicContact CD2-CD2 4.13Å; L271-L274 PolarHBondContact O-N 3.29Å; L271-F275 HydrophobicContact CB-CD2 4.49Å; L271-F275 HydrophobicContact CB-CE2 4.2Å; L271-F275 HydrophobicContact CD2-CZ 4.42Å; L271-F275 WeakPolarHBondContact O-CB 3.49Å; L271-F275 WeakPolarHBondContact O-CD2 3.31Å; L271-F275 WeakPolarHBondContact O-CG 3.24Å; L271-F275 PolarHBondContact O-N 3.16Å; L271-I296 HydrophobicContact CB-CD1 3.97Å; L271-I296 HydrophobicContact CB-CG2 4.37Å
272G93.1Very high80.9Confident0 Ų034.1 Ų34.10%016%0.16CC..Hα-helixtrans-58.5-48.517400000111.5H270 A276 A293 T297 S343H270-G272 VanDerWaalsContact C-N 3.29Å; H270-G272 PolarHBondContact O-N 3.31Å; G272-A276 VanDerWaalsContact O-CB 3.25Å; G272-A276 WeakPolarHBondContact O-CB 3.1Å; G272-A276 PolarHBondContact O-N 2.99Å; G272-A293 WeakPolarHBondContact O-CB 3.41Å; G272-T297 WeakPolarHBondContact CA-OG1 3.41Å; G272-S343 WeakPolarHBondContact CA-OG 3.39Å
273G96.3Very high83.2Confident0 Ų039.1 Ų39.10%018%0.184CC..Hα-helixtrans-63.7-45.8175.700000112.8H270 L271 F275 A276 L277 S343H270-G273 PolarHBondContact O-N 2.76Å; H270-G273 VanDerWaalsContact O-N 3.16Å; L271-G273 VanDerWaalsContact C-N 3.34Å; G273-F275 PolarHBondContact O-N 3.14Å; G273-A276 PolarHBondContact O-N 3.45Å; G273-L277 VanDerWaalsContact O-CB 3.29Å; G273-L277 WeakPolarHBondContact O-CB 3.37Å; G273-L277 PolarHBondContact O-N 3.31Å; G273-S343 PolarHBondContact N-OG 3.2Å
274L95.4Very high85.5Confident6 Ų637.1 Ų37.13%0.03118%0.18CC..Hα-helixtrans-58.3-48.6178176.558.5000112.5E218 L221 Y238 H270 L271 L277 H278E218-L274 HydrophobicContact CB-CD1 4.26Å; E218-L274 HydrophobicContact CG-CD1 4.19Å; L221-L274 HydrophobicContact CB-CD1 4.24Å; L221-L274 HydrophobicContact CD2-CD1 3.58Å; Y238-L274 HydrophobicContact CE2-CD1 4.19Å; Y238-L274 HydrophobicContact CE2-CD2 4.25Å; Y238-L274 HydrophobicContact CE2-CG 4.4Å; H270-L274 PolarHBondContact O-N 3.18Å; L271-L274 HydrophobicContact CD2-CD2 4.13Å; L271-L274 PolarHBondContact O-N 3.29Å; L274-L277 WeakPolarHBondContact O-CB 3.46Å; L274-L277 PolarHBondContact O-N 3.3Å; L274-H278 PolarHBondContact O-N 3.2Å
275F94.9Very high87.2Confident5 Ų530.7 Ų30.72%0.02216%0.156CC..Hα-helixtrans-71.9-37.1-179.8-66.3-26.3000112.3I242 L271 G273 L277 H278 T279 Y289 L292 A293 I296I242-F275 HydrophobicContact CD1-CE1 4.29Å; I242-F275 HydrophobicContact CG2-CE1 3.75Å; I242-F275 HydrophobicContact CG2-CZ 4.21Å; L271-F275 HydrophobicContact CB-CD2 4.49Å; L271-F275 HydrophobicContact CB-CE2 4.2Å; L271-F275 HydrophobicContact CD2-CZ 4.42Å; L271-F275 WeakPolarHBondContact O-CB 3.49Å; L271-F275 WeakPolarHBondContact O-CD2 3.31Å; L271-F275 WeakPolarHBondContact O-CG 3.24Å; L271-F275 PolarHBondContact O-N 3.16Å; G273-F275 PolarHBondContact O-N 3.14Å; F275-L277 VanDerWaalsContact C-N 3.32Å; F275-L277 PolarHBondContact O-N 2.83Å; F275-H278 PolarHBondContact O-N 3.03Å; F275-T279 WeakPolarHBondContact O-CG2 3.34Å; F275-T279 PolarHBondContact O-N 3.25Å; F275-Y289 AromaticContact CD1-CD1 3.85Å; F275-Y289 HydrophobicContact CD1-CD1 3.85Å; F275-Y289 HydrophobicContact CD1-CE1 4.4Å; F275-Y289 HydrophobicContact CE1-CD1 4.15Å; F275-Y289 HydrophobicContact CE1-CE1 4.29Å; F275-Y289 HydrophobicContact CG-CD1 4.11Å; F275-L292 HydrophobicContact CD2-CB 4.4Å; F275-L292 HydrophobicContact CD2-CD2 3.7Å; F275-L292 HydrophobicContact CD2-CG 3.88Å; F275-L292 HydrophobicContact CE2-CD2 3.4Å; F275-L292 VanDerWaalsContact CE2-CD2 3.4Å; F275-L292 HydrophobicContact CE2-CG 3.92Å; F275-L292 HydrophobicContact CZ-CD2 4.15Å; F275-A293 HydrophobicContact CB-CB 3.81Å; F275-I296 HydrophobicContact CD2-CD1 3.89Å; F275-I296 HydrophobicContact CE2-CD1 3.77Å
276A96.8Very high88.7Confident0 Ų029.3 Ų29.30%015%0.152CC..Hα-helixtrans-60-44.617100000111.2G272 G273 H278 T279 M280 A293 L347 A350G272-A276 VanDerWaalsContact O-CB 3.25Å; G272-A276 WeakPolarHBondContact O-CB 3.1Å; G272-A276 PolarHBondContact O-N 2.99Å; G273-A276 PolarHBondContact O-N 3.45Å; A276-H278 PolarHBondContact O-N 3.42Å; A276-T279 PolarHBondContact O-N 3.29Å; A276-T279 PolarHBondContact O-OG1 3.09Å; A276-M280 PolarHBondContact O-N 3.48Å; A276-A293 HydrophobicContact CB-CB 4.21Å; A276-L347 HydrophobicContact CB-CD2 3.79Å; A276-L347 HydrophobicContact CB-CG 3.75Å; A276-A350 HydrophobicContact CB-CB 4.47Å
277L97.4Very high89.7Confident5 Ų535 Ų353%0.02619%0.187CC..Hα-helixtrans-57.8-46.2174.3-179.759.6000112.1L221 K222 L225 G273 L274 F275 T279 M280 F281 Y346 L418L221-L277 HydrophobicContact CD2-CD2 4.39Å; L221-L277 HydrophobicContact CD2-CG 4.26Å; K222-L277 HydrophobicContact CG-CD2 4.28Å; L225-L277 HydrophobicContact CD1-CD1 3.96Å; L225-L277 HydrophobicContact CD1-CD2 3.94Å; L225-L277 HydrophobicContact CD1-CG 3.81Å; G273-L277 VanDerWaalsContact O-CB 3.29Å; G273-L277 WeakPolarHBondContact O-CB 3.37Å; G273-L277 PolarHBondContact O-N 3.31Å; L274-L277 WeakPolarHBondContact O-CB 3.46Å; L274-L277 PolarHBondContact O-N 3.3Å; F275-L277 VanDerWaalsContact C-N 3.32Å; F275-L277 PolarHBondContact O-N 2.83Å; L277-T279 VanDerWaalsContact C-N 3.34Å; L277-T279 PolarHBondContact O-N 2.95Å; L277-M280 HydrophobicContact CB-CE 4.38Å; L277-M280 HydrophobicContact CD1-CE 3.92Å; L277-M280 PolarHBondContact O-N 2.84Å; L277-F281 HydrophobicContact CD1-CD2 4.06Å; L277-F281 HydrophobicContact CD1-CE2 3.68Å; L277-F281 WeakPolarHBondContact O-CD2 3.4Å; L277-Y346 HydrophobicContact CB-CD1 4.06Å; L277-Y346 HydrophobicContact CB-CE1 4.25Å; L277-Y346 HydrophobicContact CB-CG 4.4Å; L277-Y346 HydrophobicContact CD1-CD1 4.07Å; L277-Y346 HydrophobicContact CD1-CE1 3.78Å; L277-Y346 HydrophobicContact CD2-CE1 4.12Å; L277-Y346 HydrophobicContact CG-CE1 4.27Å; L277-L418 HydrophobicContact CD1-CD1 4.49Å
278H96.5Very high90.4Very high2 Ų235.4 Ų35.41%0.00920%0.195CC..Hα-helixtrans-57-47.1176.4-177.4-163000111.8L221 K235 Y238 D239 L274 F275 A276 M280 F281 D282 A285L221-H278 HydrophobicContact CD1-CB 4.32Å; L221-H278 HydrophobicContact CD2-CB 3.81Å; K235-H278 PolarHBondContact NZ-NE2 2.69Å; Y238-H278 AromaticContact CE1-CE1 3.73Å; Y238-H278 AromaticContact CE1-CG 4Å; Y238-H278 AromaticContact CE1-ND1 3.54Å; D239-H278 IonicContact OD1-CE1 2.76Å; L274-H278 PolarHBondContact O-N 3.2Å; F275-H278 PolarHBondContact O-N 3.03Å; A276-H278 PolarHBondContact O-N 3.42Å; H278-M280 PolarHBondContact O-N 3.37Å; H278-F281 PolarHBondContact O-N 2.74Å; H278-F281 VanDerWaalsContact O-N 3.09Å; H278-D282 IonicContact CD2-OD2 2.73Å; H278-D282 IonicContact CE1-OD2 2.82Å; H278-D282 IonicContact NE2-OD2 3.07Å; H278-D282 PolarHBondContact NE2-OD2 2.77Å; H278-D282 PolarHBondContact O-N 2.98Å; H278-D282 VanDerWaalsContact O-N 3.09Å; H278-A285 WeakPolarHBondContact CE1-CB 3.25Å; H278-A285 WeakPolarHBondContact NE2-CB 3.08Å
279T96.5Very high91.4Very high13 Ų1336.6 Ų36.68%0.0820%0.199CC..Hα-helixtrans-64.8-24.2-176.167.70000113.9F275 A276 L277 F281 A285 L290F275-T279 WeakPolarHBondContact O-CG2 3.34Å; F275-T279 PolarHBondContact O-N 3.25Å; A276-T279 PolarHBondContact O-N 3.29Å; A276-T279 PolarHBondContact O-OG1 3.09Å; L277-T279 VanDerWaalsContact C-N 3.34Å; L277-T279 PolarHBondContact O-N 2.95Å; T279-F281 VanDerWaalsContact C-N 3.28Å; T279-F281 PolarHBondContact O-N 3.46Å; T279-A285 HydrophobicContact CG2-CB 4.41Å; T279-L290 HydrophobicContact CG2-CB 3.85Å; T279-L290 VanDerWaalsContact CG2-N 3.34Å
280M95.7Very high91.9Very high56 Ų5637.8 Ų37.828%0.27621%0.206SC..Hα-helixtrans-72-21.6177.1-72.3-172.5-76.300113.2A276 L277 H278 Y346 R349 A350 L418A276-M280 PolarHBondContact O-N 3.48Å; L277-M280 HydrophobicContact CB-CE 4.38Å; L277-M280 HydrophobicContact CD1-CE 3.92Å; L277-M280 PolarHBondContact O-N 2.84Å; H278-M280 PolarHBondContact O-N 3.37Å; M280-Y346 HydrophobicContact CE-CD1 3.89Å; M280-R349 HydrophobicContact CE-CB 4.46Å; M280-R349 HydrophobicContact SD-CB 3.99Å; M280-A350 HydrophobicContact CG-CB 3.74Å; M280-A350 HydrophobicContact SD-CB 3.96Å; M280-L418 HydrophobicContact CE-CD1 3.42Å; M280-L418 VanDerWaalsContact CE-CD1 3.42Å; M280-L418 HydrophobicContact SD-CD1 3.96Å
281F95.7Very high92.1Very high29 Ų2943.5 Ų43.513%0.12723%0.23CC..Hα-helixtrans-122-7.8-171.9-65.2-70.9000114.7W224 L225 K229 L277 H278 T279 L418 D419W224-F281 HydrophobicContact CH2-CB 4.25Å; W224-F281 WeakPolarHBondContact CH2-O 3.13Å; W224-F281 HydrophobicContact CZ3-CB 3.98Å; L225-F281 HydrophobicContact CD1-CD2 4.04Å; L225-F281 HydrophobicContact CD1-CE2 4.43Å; L225-F281 HydrophobicContact CD2-CB 3.54Å; L225-F281 HydrophobicContact CD2-CD1 4.21Å; L225-F281 HydrophobicContact CD2-CD2 3.54Å; L225-F281 HydrophobicContact CD2-CE2 4.33Å; L225-F281 HydrophobicContact CD2-CG 3.47Å; L225-F281 VanDerWaalsContact CD2-CG 3.47Å; L225-F281 HydrophobicContact CG-CD2 4.46Å; K229-F281 PolarHBondContact NZ-O 3.22Å; L277-F281 HydrophobicContact CD1-CD2 4.06Å; L277-F281 HydrophobicContact CD1-CE2 3.68Å; L277-F281 WeakPolarHBondContact O-CD2 3.4Å; H278-F281 PolarHBondContact O-N 2.74Å; H278-F281 VanDerWaalsContact O-N 3.09Å; T279-F281 VanDerWaalsContact C-N 3.28Å; T279-F281 PolarHBondContact O-N 3.46Å; F281-L418 HydrophobicContact CE2-CB 4.27Å; F281-L418 HydrophobicContact CZ-CB 3.94Å; F281-L418 VanDerWaalsContact CZ-O 3.27Å; F281-L418 WeakPolarHBondContact CZ-O 3.39Å; F281-D419 WeakPolarHBondContact CE1-OD1 3.38Å
282D94.2Very high92Very high30 Ų3044.8 Ų44.816%0.1624%0.237CC..  trans-134.3101.9177.6-175.1-10.1000109.4W224 K235 H278 S284 A285W224-D282 HydrophobicContact CH2-CB 4.32Å; K235-D282 WeakPolarHBondContact CE-OD2 3.37Å; K235-D282 IonicContact NZ-OD2 2.66Å; K235-D282 PolarHBondContact NZ-OD2 3.33Å; H278-D282 IonicContact CD2-OD2 2.73Å; H278-D282 IonicContact CE1-OD2 2.82Å; H278-D282 IonicContact NE2-OD2 3.07Å; H278-D282 PolarHBondContact NE2-OD2 2.77Å; H278-D282 PolarHBondContact O-N 2.98Å; H278-D282 VanDerWaalsContact O-N 3.09Å; D282-S284 PolarHBondContact O-N 3.45Å; D282-S284 WeakPolarHBondContact OD1-CB 3.25Å; D282-S284 PolarHBondContact OD1-N 3.3Å; D282-S284 PolarHBondContact OD1-OG 3.33Å; D282-A285 HydrophobicContact CB-CB 4.07Å; D282-A285 VanDerWaalsContact O-CB 3.25Å; D282-A285 WeakPolarHBondContact O-CB 2.8Å; D282-A285 PolarHBondContact O-N 3.44Å
283E89.6Confident92Very high181 Ų18144.8 Ų44.885%0.84624%0.237SC*.Hα-helixtrans-59.5-31.9-177.6-67.8-177.5176.900112.5A285 N286E283-A285 PolarHBondContact O-N 3.31Å; E283-N286 VanDerWaalsContact O-CB 3.31Å; E283-N286 WeakPolarHBondContact O-CB 3.36Å; E283-N286 PolarHBondContact O-N 3.34Å
284S89.5Confident91.9Very high91 Ų9147.7 Ų47.764%0.63625%0.251SS*.Hα-helixtrans-64.4-28.817876.20000111.8D282 N286D282-S284 PolarHBondContact O-N 3.45Å; D282-S284 WeakPolarHBondContact OD1-CB 3.25Å; D282-S284 PolarHBondContact OD1-N 3.3Å; D282-S284 PolarHBondContact OD1-OG 3.33Å; S284-N286 VanDerWaalsContact C-N 3.34Å
285A86.7Confident91.6Very high1 Ų149.4 Ų49.41%0.00826%0.259CS..Hα-helixtrans-73.2-28178.800000112.6H278 T279 D282 E283 V287 T288 Y289H278-A285 WeakPolarHBondContact CE1-CB 3.25Å; H278-A285 WeakPolarHBondContact NE2-CB 3.08Å; T279-A285 HydrophobicContact CG2-CB 4.41Å; D282-A285 HydrophobicContact CB-CB 4.07Å; D282-A285 VanDerWaalsContact O-CB 3.25Å; D282-A285 WeakPolarHBondContact O-CB 2.8Å; D282-A285 PolarHBondContact O-N 3.44Å; E283-A285 PolarHBondContact O-N 3.31Å; A285-V287 PolarHBondContact O-N 3.21Å; A285-V287 VanDerWaalsContact O-N 3.14Å; A285-T288 PolarHBondContact O-N 2.62Å; A285-T288 VanDerWaalsContact O-N 3.16Å; A285-Y289 HydrophobicContact CB-CD2 3.65Å; A285-Y289 HydrophobicContact CB-CE2 4.36Å; A285-Y289 HydrophobicContact CB-CG 4.36Å; A285-Y289 WeakPolarHBondContact O-CB 3.29Å; A285-Y289 WeakPolarHBondContact O-CD2 3.37Å; A285-Y289 PolarHBondContact O-N 2.75Å
286N84.4Confident91.3Very high80 Ų8049.4 Ų49.443%0.42826%0.259SS..Hα-helixtrans-56.6-35.3-175.3-163.9-0.4000112.7E283 S284 T288 L290E283-N286 VanDerWaalsContact O-CB 3.31Å; E283-N286 WeakPolarHBondContact O-CB 3.36Å; E283-N286 PolarHBondContact O-N 3.34Å; S284-N286 VanDerWaalsContact C-N 3.34Å; N286-T288 VanDerWaalsContact C-N 3.33Å; N286-T288 PolarHBondContact O-N 2.97Å; N286-L290 WeakPolarHBondContact O-CB 3.36Å; N286-L290 WeakPolarHBondContact OD1-CB 3.43Å; N286-L290 WeakPolarHBondContact OD1-CD2 3.29Å
287V82Confident91.2Very high128 Ų12849.4 Ų49.478%0.77626%0.259SS*.Hα-helixtrans-61.5-38.3-178.6-178.90000112.9A285A285-V287 PolarHBondContact O-N 3.21Å; A285-V287 VanDerWaalsContact O-N 3.14Å
288T83.2Confident91Very high80 Ų8054.6 Ų54.649%0.49128%0.278SS..Hα-helixtrans-111.8-45.2-172.6-55.50000112.1A285 N286 L292A285-T288 PolarHBondContact O-N 2.62Å; A285-T288 VanDerWaalsContact O-N 3.16Å; N286-T288 VanDerWaalsContact C-N 3.33Å; N286-T288 PolarHBondContact O-N 2.97Å; T288-L292 PolarHBondContact O-N 3.02Å
289Y90.9Very high90.6Very high31 Ų3154.8 Ų54.812%0.12228%0.279CS..Hα-helixtrans-82.5-27.3-167.8-66.6-82.6000113.6I242 I246 F275 A285 L292 A293I242-Y289 HydrophobicContact CG2-CD1 4.48Å; I242-Y289 HydrophobicContact CG2-CE1 3.44Å; I242-Y289 VanDerWaalsContact CG2-CE1 3.44Å; I246-Y289 HydrophobicContact CD1-CD1 3.93Å; I246-Y289 HydrophobicContact CD1-CE1 3.18Å; F275-Y289 AromaticContact CD1-CD1 3.85Å; F275-Y289 HydrophobicContact CD1-CD1 3.85Å; F275-Y289 HydrophobicContact CD1-CE1 4.4Å; F275-Y289 HydrophobicContact CE1-CD1 4.15Å; F275-Y289 HydrophobicContact CE1-CE1 4.29Å; F275-Y289 HydrophobicContact CG-CD1 4.11Å; A285-Y289 HydrophobicContact CB-CD2 3.65Å; A285-Y289 HydrophobicContact CB-CE2 4.36Å; A285-Y289 HydrophobicContact CB-CG 4.36Å; A285-Y289 WeakPolarHBondContact O-CB 3.29Å; A285-Y289 WeakPolarHBondContact O-CD2 3.37Å; A285-Y289 PolarHBondContact O-N 2.75Å; Y289-L292 HydrophobicContact CD1-CD2 4.39Å; Y289-L292 PolarHBondContact O-N 3.03Å; Y289-A293 WeakPolarHBondContact O-CB 3.48Å; Y289-A293 PolarHBondContact O-N 3.39Å
290L93Very high90.3Very high33 Ų3354.1 Ų54.117%0.17328%0.275CS..Hα-helixtrans-65.8-46.7179-179.560.1000110.6T279 N286 L292 A293 Q294 L347 T351T279-L290 HydrophobicContact CG2-CB 3.85Å; T279-L290 VanDerWaalsContact CG2-N 3.34Å; N286-L290 WeakPolarHBondContact O-CB 3.36Å; N286-L290 WeakPolarHBondContact OD1-CB 3.43Å; N286-L290 WeakPolarHBondContact OD1-CD2 3.29Å; L290-L292 VanDerWaalsContact C-N 3.3Å; L290-L292 PolarHBondContact O-N 3.41Å; L290-A293 WeakPolarHBondContact O-CB 3.46Å; L290-A293 PolarHBondContact O-N 2.93Å; L290-Q294 VanDerWaalsContact O-CG 3.3Å; L290-Q294 WeakPolarHBondContact O-CG 3.33Å; L290-Q294 PolarHBondContact O-N 3.48Å; L290-L347 HydrophobicContact CD1-CD2 4.1Å; L290-T351 HydrophobicContact CD1-CG2 4Å
291K91.3Very high90.2Very high135 Ų13552.1 Ų52.159%0.58727%0.265SS*.Hα-helixtrans-62.2-40.6176-176.3138.9-175.7169.10111.6Q294 E295K291-Q294 PolarHBondContact O-N 3.41Å; K291-E295 HydrophobicContact CG-CG 4.39Å; K291-E295 WeakPolarHBondContact O-CG 3.31Å; K291-E295 PolarHBondContact O-N 3.43Å
292L89.1Confident90Very high34 Ų3452.9 Ų52.918%0.17827%0.269CS..Hα-helixtrans-60-46.4175.9-171.261.3000111.6I246 C254 F275 T288 Y289 L290 Q294 E295 I296I246-L292 HydrophobicContact CD1-CD2 3.68Å; I246-L292 HydrophobicContact CG1-CD2 4.12Å; C254-L292 HydrophobicContact CB-CD1 3.63Å; C254-L292 WeakPolarHBondContact SG-CD1 3.45Å; F275-L292 HydrophobicContact CD2-CB 4.4Å; F275-L292 HydrophobicContact CD2-CD2 3.7Å; F275-L292 HydrophobicContact CD2-CG 3.88Å; F275-L292 HydrophobicContact CE2-CD2 3.4Å; F275-L292 VanDerWaalsContact CE2-CD2 3.4Å; F275-L292 HydrophobicContact CE2-CG 3.92Å; F275-L292 HydrophobicContact CZ-CD2 4.15Å; T288-L292 PolarHBondContact O-N 3.02Å; Y289-L292 HydrophobicContact CD1-CD2 4.39Å; Y289-L292 PolarHBondContact O-N 3.03Å; L290-L292 VanDerWaalsContact C-N 3.3Å; L290-L292 PolarHBondContact O-N 3.41Å; L292-Q294 PolarHBondContact O-N 3.16Å; L292-E295 PolarHBondContact O-N 3.29Å; L292-I296 HydrophobicContact CD1-CD1 4.24Å; L292-I296 HydrophobicContact CG-CD1 3.93Å; L292-I296 WeakPolarHBondContact O-CB 3.48Å; L292-I296 VanDerWaalsContact O-CG1 3.29Å; L292-I296 WeakPolarHBondContact O-CG1 3.19Å; L292-I296 PolarHBondContact O-N 3.08Å
293A92.6Very high89.9Confident0 Ų051.4 Ų51.40%026%0.261CS..Hα-helixtrans-56.6-49.5175.600000111.4G272 F275 A276 Y289 L290 E295 I296 T297 L347G272-A293 WeakPolarHBondContact O-CB 3.41Å; F275-A293 HydrophobicContact CB-CB 3.81Å; A276-A293 HydrophobicContact CB-CB 4.21Å; Y289-A293 WeakPolarHBondContact O-CB 3.48Å; Y289-A293 PolarHBondContact O-N 3.39Å; L290-A293 WeakPolarHBondContact O-CB 3.46Å; L290-A293 PolarHBondContact O-N 2.93Å; A293-E295 PolarHBondContact O-N 2.8Å; A293-I296 PolarHBondContact O-N 2.85Å; A293-T297 WeakPolarHBondContact O-CB 3.39Å; A293-T297 PolarHBondContact O-N 3.04Å; A293-T297 PolarHBondContact O-OG1 3.43Å; A293-L347 HydrophobicContact CB-CD2 3.95Å
294Q94Very high90.1Very high61 Ų6143 Ų4329%0.28522%0.222SC..Hα-helixtrans-59.7-44-179.9-68.2178.1-51.200112.6L290 K291 L292 R298 L347L290-Q294 VanDerWaalsContact O-CG 3.3Å; L290-Q294 WeakPolarHBondContact O-CG 3.33Å; L290-Q294 PolarHBondContact O-N 3.48Å; K291-Q294 PolarHBondContact O-N 3.41Å; L292-Q294 PolarHBondContact O-N 3.16Å; Q294-R298 WeakPolarHBondContact O-CB 3.28Å; Q294-R298 PolarHBondContact O-N 3.38Å; Q294-L347 HydrophobicContact CG-CD2 3.86Å
295E90.6Very high90.4Very high43 Ų4341.2 Ų41.220%0.20120%0.204CC..Hα-helixtrans-74.1-38.4-178.1-64.4-63154.200112.4C254 K291 L292 A293 R298 T299C254-E295 CarbonylContact O-C 3.24Å; C254-E295 VanDerWaalsContact O-CB 3.3Å; C254-E295 WeakPolarHBondContact O-CB 3.43Å; K291-E295 HydrophobicContact CG-CG 4.39Å; K291-E295 WeakPolarHBondContact O-CG 3.31Å; K291-E295 PolarHBondContact O-N 3.43Å; L292-E295 PolarHBondContact O-N 3.29Å; A293-E295 PolarHBondContact O-N 2.8Å; E295-R298 PolarHBondContact O-N 3.42Å; E295-R298 IonicContact OE1-NH1 2.59Å; E295-R298 IonicContact OE2-NH1 4Å; E295-T299 WeakPolarHBondContact O-CB 3.48Å; E295-T299 PolarHBondContact O-N 2.68Å; E295-T299 PolarHBondContact O-OG1 3.26Å
296I88.5Confident90.6Very high4 Ų445.4 Ų45.42%0.02122%0.22CC..Hα-helixtrans-59.4-49.4170.8-69.9170.3000110C254 V268 L271 F275 L292 A293 R298 T299 C300C254-I296 HydrophobicContact CB-CG1 3.94Å; C254-I296 VanDerWaalsContact SG-CD1 3.58Å; C254-I296 WeakPolarHBondContact SG-CG1 3.44Å; V268-I296 HydrophobicContact CG2-CG2 4.47Å; L271-I296 HydrophobicContact CB-CD1 3.97Å; L271-I296 HydrophobicContact CB-CG2 4.37Å; F275-I296 HydrophobicContact CD2-CD1 3.89Å; F275-I296 HydrophobicContact CE2-CD1 3.77Å; L292-I296 HydrophobicContact CD1-CD1 4.24Å; L292-I296 HydrophobicContact CG-CD1 3.93Å; L292-I296 WeakPolarHBondContact O-CB 3.48Å; L292-I296 VanDerWaalsContact O-CG1 3.29Å; L292-I296 WeakPolarHBondContact O-CG1 3.19Å; L292-I296 PolarHBondContact O-N 3.08Å; A293-I296 PolarHBondContact O-N 2.85Å; I296-R298 PolarHBondContact O-N 2.91Å; I296-T299 WeakPolarHBondContact O-CA 3.38Å; I296-T299 VanDerWaalsContact O-CB 3.32Å; I296-T299 WeakPolarHBondContact O-CB 3.41Å; I296-T299 PolarHBondContact O-N 3.48Å; I296-T299 VanDerWaalsContact O-N 3.13Å; I296-C300 PolarHBondContact O-N 3.19Å; I296-C300 PolarHBondContact O-SG 3.38Å
297T93.5Very high91.2Very high0 Ų042 Ų420%020%0.202CC..Hα-helixtrans-67.1-38.1-177.9-62.20000112.3G272 A293 T299 C300 H301 S343 Y344 L347 Y356 W359G272-T297 WeakPolarHBondContact CA-OG1 3.41Å; A293-T297 WeakPolarHBondContact O-CB 3.39Å; A293-T297 PolarHBondContact O-N 3.04Å; A293-T297 PolarHBondContact O-OG1 3.43Å; T297-T299 VanDerWaalsContact C-N 3.3Å; T297-T299 PolarHBondContact O-N 2.64Å; T297-C300 PolarHBondContact O-N 3.1Å; T297-H301 PolarHBondContact O-N 2.91Å; T297-S343 WeakPolarHBondContact OG1-CB 3.2Å; T297-Y344 HydrophobicContact CG2-CD1 3.37Å; T297-Y344 HydrophobicContact CG2-CE1 3.44Å; T297-Y344 VanDerWaalsContact CG2-CE1 3.44Å; T297-L347 HydrophobicContact CG2-CD1 3.63Å; T297-L347 WeakPolarHBondContact OG1-CD1 3.47Å; T297-Y356 HydrophobicContact CG2-CE1 4.16Å; T297-W359 HydrophobicContact CG2-CZ3 4.5Å
298R92.8Very high91.9Very high115 Ų11537.6 Ų37.643%0.43418%0.179SC..Hα-helixtrans-59.7-42.6170.5176.4179.6-83.7159.6-6.2111Q294 E295 I296 C300 H301 E302 W359Q294-R298 WeakPolarHBondContact O-CB 3.28Å; Q294-R298 PolarHBondContact O-N 3.38Å; E295-R298 PolarHBondContact O-N 3.42Å; E295-R298 IonicContact OE1-NH1 2.59Å; E295-R298 IonicContact OE2-NH1 4Å; I296-R298 PolarHBondContact O-N 2.91Å; R298-C300 VanDerWaalsContact C-N 3.29Å; R298-C300 PolarHBondContact O-N 3.27Å; R298-H301 WeakPolarHBondContact O-CB 3.19Å; R298-H301 PolarHBondContact O-N 2.82Å; R298-H301 VanDerWaalsContact O-N 3.13Å; R298-E302 WeakPolarHBondContact O-CG 3.29Å; R298-E302 PolarHBondContact O-N 3.11Å; R298-W359 HydrophobicContact CB-CH2 4.3Å; R298-W359 HydrophobicContact CG-CH2 4.47Å
299T88.4Confident92.6Very high5 Ų533.8 Ų33.83%0.03116%0.156CC..Hα-helixtrans-60.4-40176.3-58.70000111.5C254 E295 I296 T297 E302 T303 F316 F318C254-T299 PolarHBondContact O-OG1 3.3Å; E295-T299 WeakPolarHBondContact O-CB 3.48Å; E295-T299 PolarHBondContact O-N 2.68Å; E295-T299 PolarHBondContact O-OG1 3.26Å; I296-T299 WeakPolarHBondContact O-CA 3.38Å; I296-T299 VanDerWaalsContact O-CB 3.32Å; I296-T299 WeakPolarHBondContact O-CB 3.41Å; I296-T299 PolarHBondContact O-N 3.48Å; I296-T299 VanDerWaalsContact O-N 3.13Å; T297-T299 VanDerWaalsContact C-N 3.3Å; T297-T299 PolarHBondContact O-N 2.64Å; T299-E302 WeakPolarHBondContact O-CB 3.39Å; T299-E302 PolarHBondContact O-N 3.34Å; T299-T303 WeakPolarHBondContact O-CG2 3.4Å; T299-T303 PolarHBondContact O-N 3.16Å; T299-F316 HydrophobicContact CG2-CE2 4.39Å; T299-F318 HydrophobicContact CG2-CE2 3.68Å; T299-F318 HydrophobicContact CG2-CZ 3.43Å; T299-F318 VanDerWaalsContact CG2-CZ 3.43Å
300C91.1Very high92.9Very high0 Ų038 Ų380%017%0.172CC..Hα-helixtrans-69.3-35174.5-57.90000112.5M269 I296 T297 R298 E302 T303 Y304 V340M269-C300 HydrophobicContact CG-CB 4.36Å; I296-C300 PolarHBondContact O-N 3.19Å; I296-C300 PolarHBondContact O-SG 3.38Å; T297-C300 PolarHBondContact O-N 3.1Å; R298-C300 VanDerWaalsContact C-N 3.29Å; R298-C300 PolarHBondContact O-N 3.27Å; C300-E302 VanDerWaalsContact C-N 3.34Å; C300-T303 PolarHBondContact O-N 3.14Å; C300-T303 PolarHBondContact O-OG1 2.84Å; C300-Y304 WeakPolarHBondContact O-CD2 3.39Å; C300-Y304 PolarHBondContact O-N 2.7Å; C300-V340 HydrophobicContact CB-CG1 4.36Å; C300-V340 HydrophobicContact CB-CG2 3.95Å
301H93.7Very high93.1Very high14 Ų1436.5 Ų36.57%0.06516%0.164CC..Hα-helixtrans-62.3-42.1172.7-179.270.2000111.8T297 R298 T303 Y304 I305 Y344 W359T297-H301 PolarHBondContact O-N 2.91Å; R298-H301 WeakPolarHBondContact O-CB 3.19Å; R298-H301 PolarHBondContact O-N 2.82Å; R298-H301 VanDerWaalsContact O-N 3.13Å; H301-T303 VanDerWaalsContact C-N 3.29Å; H301-T303 PolarHBondContact O-N 3.04Å; H301-Y304 WeakPolarHBondContact O-CB 3.19Å; H301-Y304 PolarHBondContact O-N 2.86Å; H301-I305 WeakPolarHBondContact CE1-CG2 3.04Å; H301-I305 VanDerWaalsContact NE2-CG2 3.33Å; H301-I305 WeakPolarHBondContact NE2-CG2 3.5Å; H301-I305 PolarHBondContact O-N 2.81Å; H301-Y344 VanDerWaalsContact CA-OH 3.32Å; H301-Y344 WeakPolarHBondContact CA-OH 3.5Å; H301-Y344 HydrophobicContact CB-CE1 4.32Å; H301-Y344 VanDerWaalsContact CB-OH 3.31Å; H301-Y344 WeakPolarHBondContact CB-OH 3.35Å; H301-Y344 AromaticContact ND1-CZ 3.98Å; H301-Y344 PolarHBondContact ND1-OH 2.66Å; H301-Y344 VanDerWaalsContact ND1-OH 3.09Å; H301-W359 HydrophobicContact CB-CD2 4.23Å; H301-W359 HydrophobicContact CB-CE3 3.9Å; H301-W359 HydrophobicContact CB-CH2 4.22Å; H301-W359 HydrophobicContact CB-CZ3 3.89Å; H301-W359 AromaticContact CD2-CD2 3.91Å; H301-W359 AromaticContact CD2-CE2 3.53Å; H301-W359 AromaticContact CD2-CZ2 3.68Å; H301-W359 AromaticContact CD2-NE1 3.85Å; H301-W359 AromaticContact CE1-CD1 3.22Å; H301-W359 AromaticContact CE1-CD2 3.65Å; H301-W359 AromaticContact CE1-CE2 3.72Å; H301-W359 AromaticContact CE1-CG 3.31Å; H301-W359 AromaticContact CE1-NE1 3.47Å; H301-W359 PolarHBondContact CE1-NE1 3.13Å; H301-W359 AromaticContact CG-CD2 3.6Å; H301-W359 AromaticContact CG-CE2 3.73Å; H301-W359 AromaticContact CG-CE3 3.8Å; H301-W359 AromaticContact ND1-CD1 3.79Å; H301-W359 AromaticContact ND1-CD2 3.44Å; H301-W359 AromaticContact ND1-CE2 3.85Å; H301-W359 AromaticContact ND1-CE3 3.91Å; H301-W359 AromaticContact ND1-CG 3.38Å; H301-W359 AromaticContact NE2-CD1 3.59Å; H301-W359 AromaticContact NE2-CD2 3.94Å; H301-W359 AromaticContact NE2-CE2 3.53Å; H301-W359 AromaticContact NE2-CG 3.95Å; H301-W359 AromaticContact NE2-NE1 3.32Å; H301-W359 PolarHBondContact NE2-NE1 2.85Å
302E91.2Very high93.2Very high44 Ų4430.1 Ų30.121%0.20614%0.136CC..Hα-helixtrans-58.5-38176-72.4-68.4144.200112.5I256 R298 T299 C300 Y304 I305 R306I256-E302 HydrophobicContact CD1-CG 4.44Å; R298-E302 WeakPolarHBondContact O-CG 3.29Å; R298-E302 PolarHBondContact O-N 3.11Å; T299-E302 WeakPolarHBondContact O-CB 3.39Å; T299-E302 PolarHBondContact O-N 3.34Å; C300-E302 VanDerWaalsContact C-N 3.34Å; E302-Y304 PolarHBondContact O-N 3.07Å; E302-I305 PolarHBondContact O-N 2.82Å; E302-R306 VanDerWaalsContact O-CB 3.29Å; E302-R306 WeakPolarHBondContact O-CB 3.47Å; E302-R306 WeakPolarHBondContact O-CD 3.22Å; E302-R306 WeakPolarHBondContact O-CG 3.16Å; E302-R306 PolarHBondContact O-N 3.37Å; E302-R306 VanDerWaalsContact O-N 3.15Å; E302-R306 IonicContact OE2-CZ 3.38Å; E302-R306 IonicContact OE2-NE 3.97Å; E302-R306 PolarHBondContact OE2-NE 3.02Å; E302-R306 IonicContact OE2-NH2 2.84Å; E302-R306 PolarHBondContact OE2-NH2 3.27Å; E302-R306 VanDerWaalsContact OE2-NH2 3.08Å
303T91Very high93.4Very high0 Ų028.6 Ų28.60%013%0.128CC..Hα-helixtrans-68.5-22.6177.670.50000112.4T299 C300 H301 T307 F316 A324T299-T303 WeakPolarHBondContact O-CG2 3.4Å; T299-T303 PolarHBondContact O-N 3.16Å; C300-T303 PolarHBondContact O-N 3.14Å; C300-T303 PolarHBondContact O-OG1 2.84Å; H301-T303 VanDerWaalsContact C-N 3.29Å; H301-T303 PolarHBondContact O-N 3.04Å; T303-T307 VanDerWaalsContact O-CG2 3.23Å; T303-T307 WeakPolarHBondContact O-CG2 3.4Å; T303-F316 HydrophobicContact CG2-CB 4.15Å; T303-F316 HydrophobicContact CG2-CD1 3.55Å; T303-F316 HydrophobicContact CG2-CD2 3.62Å; T303-F316 HydrophobicContact CG2-CE1 3.75Å; T303-F316 HydrophobicContact CG2-CE2 3.81Å; T303-F316 HydrophobicContact CG2-CG 3.48Å; T303-F316 VanDerWaalsContact CG2-CG 3.48Å; T303-F316 HydrophobicContact CG2-CZ 3.87Å; T303-A324 HydrophobicContact CG2-CB 3.85Å
304Y94.9Very high93.3Very high5 Ų528.9 Ų28.92%0.0213%0.13CC..Hα-helixtrans-80.4-56.1172.6-83.3-128.7000110.1C300 H301 E302 R306 T307 R310 L311 G312 Y334 V340 A363C300-Y304 WeakPolarHBondContact O-CD2 3.39Å; C300-Y304 PolarHBondContact O-N 2.7Å; H301-Y304 WeakPolarHBondContact O-CB 3.19Å; H301-Y304 PolarHBondContact O-N 2.86Å; E302-Y304 PolarHBondContact O-N 3.07Å; Y304-R306 PolarHBondContact O-N 3.43Å; Y304-T307 PolarHBondContact O-N 3.05Å; Y304-T307 PolarHBondContact O-OG1 2.94Å; Y304-R310 WeakPolarHBondContact CD1-O 3.39Å; Y304-R310 CarbonylContact O-C 3.39Å; Y304-R310 WeakPolarHBondContact O-CA 3.33Å; Y304-L311 HydrophobicContact CD1-CD2 4.4Å; Y304-L311 HydrophobicContact CE1-CD2 4.12Å; Y304-G312 VanDerWaalsContact CE2-CA 3.41Å; Y304-Y334 WeakPolarHBondContact OH-CE2 3.31Å; Y304-V340 HydrophobicContact CD2-CG1 4.48Å; Y304-V340 HydrophobicContact CD2-CG2 4.41Å; Y304-V340 HydrophobicContact CE2-CB 4.06Å; Y304-V340 HydrophobicContact CE2-CG1 4.15Å; Y304-V340 HydrophobicContact CE2-CG2 3.58Å; Y304-A363 HydrophobicContact CD1-CB 4.28Å; Y304-A363 HydrophobicContact CE1-CB 4.24Å
305I95.1Very high92.9Very high52 Ų5226 Ų2627%0.26712%0.116SC..Hα-helixtrans-70.7-17.3-170.364.8169.8000114.6H301 E302 T307 R310H301-I305 WeakPolarHBondContact CE1-CG2 3.04Å; H301-I305 VanDerWaalsContact NE2-CG2 3.33Å; H301-I305 WeakPolarHBondContact NE2-CG2 3.5Å; H301-I305 PolarHBondContact O-N 2.81Å; E302-I305 PolarHBondContact O-N 2.82Å; I305-T307 VanDerWaalsContact C-N 3.34Å; I305-R310 VanDerWaalsContact CG2-NH2 3.29Å
306R92.2Very high92.6Very high90 Ų9023.9 Ų23.934%0.3411%0.106SC..THydrogen-bonded Turntrans-82.2-8.1176.6-69.3172.8-176.1-145.6-2.6113.9E302 Y304 E323E302-R306 VanDerWaalsContact O-CB 3.29Å; E302-R306 WeakPolarHBondContact O-CB 3.47Å; E302-R306 WeakPolarHBondContact O-CD 3.22Å; E302-R306 WeakPolarHBondContact O-CG 3.16Å; E302-R306 PolarHBondContact O-N 3.37Å; E302-R306 VanDerWaalsContact O-N 3.15Å; E302-R306 IonicContact OE2-CZ 3.38Å; E302-R306 IonicContact OE2-NE 3.97Å; E302-R306 PolarHBondContact OE2-NE 3.02Å; E302-R306 IonicContact OE2-NH2 2.84Å; E302-R306 PolarHBondContact OE2-NH2 3.27Å; E302-R306 VanDerWaalsContact OE2-NH2 3.08Å; Y304-R306 PolarHBondContact O-N 3.43Å; R306-E323 IonicContact CZ-OE1 3.37Å; R306-E323 VanDerWaalsContact NH1-CD 3.29Å; R306-E323 PolarHBondContact NH1-O 3.23Å; R306-E323 IonicContact NH1-OE1 2.82Å; R306-E323 PolarHBondContact NH1-OE1 2.99Å; R306-E323 IonicContact NH2-OE1 3.08Å; R306-E323 PolarHBondContact NH2-OE1 3.25Å
307T95.5Very high92.1Very high7 Ų724.4 Ų24.44%0.04311%0.11CC..SBendtrans-95.6154.5179.470.80000111.1T303 Y304 I305 T309 R310 L311 V383 Y384T303-T307 VanDerWaalsContact O-CG2 3.23Å; T303-T307 WeakPolarHBondContact O-CG2 3.4Å; Y304-T307 PolarHBondContact O-N 3.05Å; Y304-T307 PolarHBondContact O-OG1 2.94Å; I305-T307 VanDerWaalsContact C-N 3.34Å; T307-T309 PolarHBondContact O-N 3.15Å; T307-R310 PolarHBondContact O-N 2.77Å; T307-R310 PolarHBondContact OG1-N 2.91Å; T307-L311 WeakPolarHBondContact CB-O 3.27Å; T307-L311 WeakPolarHBondContact CG2-O 3.1Å; T307-L311 PolarHBondContact OG1-N 2.9Å; T307-L311 VanDerWaalsContact OG1-N 3.11Å; T307-L311 PolarHBondContact OG1-O 3.03Å; T307-V383 WeakPolarHBondContact CB-O 3.42Å; T307-V383 HydrophobicContact CG2-CB 4.06Å; T307-V383 HydrophobicContact CG2-CG2 3.62Å; T307-Y384 HydrophobicContact CG2-CD1 4.03Å; T307-Y384 HydrophobicContact CG2-CE1 3.68Å
308A97.1Very high91.2Very high37 Ų3724.6 Ų24.631%0.30611%0.111SC..THydrogen-bonded Turntrans-62.6-33.8178.800000112R310 V383A308-R310 VanDerWaalsContact C-N 3.35Å; A308-V383 PolarHBondContact N-O 3.47Å
309T98Very high90.3Very high0 Ų020.5 Ų20.50%010%0.098CC..THydrogen-bonded Turntrans-84.1-9.8179.660.90000113.8T307 L311 A366 H370 I380 V383 V385 P388T307-T309 PolarHBondContact O-N 3.15Å; T309-L311 PolarHBondContact O-N 2.61Å; T309-L311 PolarHBondContact OG1-N 3.32Å; T309-A366 WeakPolarHBondContact O-CB 3.33Å; T309-H370 PolarHBondContact O-CD2 2.87Å; T309-I380 HydrophobicContact CG2-CD1 3.85Å; T309-V383 WeakPolarHBondContact CG2-O 3.31Å; T309-V383 PolarHBondContact N-O 2.86Å; T309-V383 WeakPolarHBondContact OG1-CA 3.16Å; T309-V383 PolarHBondContact OG1-O 3.21Å; T309-V383 VanDerWaalsContact OG1-O 3.08Å; T309-V385 WeakPolarHBondContact CG2-O 3.26Å; T309-P388 HydrophobicContact CG2-CB 4.46Å; T309-P388 HydrophobicContact CG2-CG 3.84Å
310R97.5Very high89.5Confident120 Ų12027.3 Ų27.345%0.45313%0.134SC..SBendtrans58.828.3-169.4-51.1-161.276.5141.50.5114.3Y304 I305 T307 A308 A366Y304-R310 WeakPolarHBondContact CD1-O 3.39Å; Y304-R310 CarbonylContact O-C 3.39Å; Y304-R310 WeakPolarHBondContact O-CA 3.33Å; I305-R310 VanDerWaalsContact CG2-NH2 3.29Å; T307-R310 PolarHBondContact O-N 2.77Å; T307-R310 PolarHBondContact OG1-N 2.91Å; A308-R310 VanDerWaalsContact C-N 3.35Å; R310-A366 HydrophobicContact CB-CB 4.01Å
311L97.4Very high88.5Confident0 Ų034.1 Ų34.10%017%0.166CC..  trans-121.6144.2174.5-62.3168.6000109.5Y304 T307 T309 Y334 A366 I367 H370 I380 V383Y304-L311 HydrophobicContact CD1-CD2 4.4Å; Y304-L311 HydrophobicContact CE1-CD2 4.12Å; T307-L311 WeakPolarHBondContact CB-O 3.27Å; T307-L311 WeakPolarHBondContact CG2-O 3.1Å; T307-L311 PolarHBondContact OG1-N 2.9Å; T307-L311 VanDerWaalsContact OG1-N 3.11Å; T307-L311 PolarHBondContact OG1-O 3.03Å; T309-L311 PolarHBondContact O-N 2.61Å; T309-L311 PolarHBondContact OG1-N 3.32Å; L311-Y334 HydrophobicContact CB-CD1 4.18Å; L311-Y334 HydrophobicContact CB-CD2 4.49Å; L311-Y334 HydrophobicContact CB-CG 4.12Å; L311-Y334 HydrophobicContact CD1-CD1 3.75Å; L311-Y334 HydrophobicContact CD1-CE1 3.96Å; L311-Y334 HydrophobicContact CD1-CG 4.48Å; L311-Y334 HydrophobicContact CD2-CD1 4.35Å; L311-Y334 HydrophobicContact CD2-CE1 3.92Å; L311-Y334 HydrophobicContact CG-CD1 4.31Å; L311-Y334 HydrophobicContact CG-CE1 4.36Å; L311-A366 HydrophobicContact CD2-CB 3.69Å; L311-A366 HydrophobicContact CG-CB 3.87Å; L311-I367 HydrophobicContact CD2-CG1 3.79Å; L311-H370 HydrophobicContact CD1-CB 4.3Å; L311-I380 HydrophobicContact CD1-CD1 3.8Å; L311-V383 HydrophobicContact CB-CG1 4.23Å; L311-V383 WeakPolarHBondContact O-CB 3.49Å; L311-V383 WeakPolarHBondContact O-CG1 3.44Å
312G93.5Very high87.5Confident1 Ų133.7 Ų33.71%0.0117%0.165CC..  trans-81.3145.3-178.100000113.1Y304 Y334Y304-G312 VanDerWaalsContact CE2-CA 3.41Å; G312-Y334 WeakPolarHBondContact O-CD2 3.25Å
313P93.8Very high86.9Confident2 Ų235.4 Ų35.41%0.01317%0.173CC..  trans-69.2162.7172.332.8-36.9000111.6A315 F316 T326 E331 Y333 V383P313-A315 WeakPolarHBondContact CB-O 3.42Å; P313-A315 WeakPolarHBondContact CG-O 3.33Å; P313-A315 PolarHBondContact O-N 3.36Å; P313-F316 HydrophobicContact CG-CB 4.31Å; P313-T326 HydrophobicContact CB-CG2 3.74Å; P313-T326 HydrophobicContact CG-CG2 4.15Å; P313-E331 VanDerWaalsContact CB-O 3.26Å; P313-E331 WeakPolarHBondContact CB-O 3.2Å; P313-Y333 CarbonylContact C-O 3.56Å; P313-Y333 WeakPolarHBondContact CA-O 3.3Å; P313-V383 HydrophobicContact CB-CG2 4Å
314E90.3Very high86.3Confident6 Ų635.4 Ų35.43%0.02817%0.173CC..SBendtrans-52.6-37.6175.917563.4-164.900113.8K267 E331 Y333 R337K267-E314 WeakPolarHBondContact CE-OE1 3.48Å; K267-E314 IonicContact NZ-OE1 3.88Å; K267-E314 PolarHBondContact NZ-OE1 3.18Å; E314-E331 WeakPolarHBondContact CB-O 3.45Å; E314-E331 PolarHBondContact N-O 3.36Å; E314-Y333 HydrophobicContact CB-CD1 4.48Å; E314-Y333 HydrophobicContact CB-CD2 4Å; E314-Y333 HydrophobicContact CB-CE1 4.11Å; E314-Y333 HydrophobicContact CB-CE2 3.6Å; E314-Y333 HydrophobicContact CB-CG 4.45Å; E314-Y333 HydrophobicContact CG-CE1 4.2Å; E314-Y333 HydrophobicContact CG-CE2 3.75Å; E314-Y333 WeakPolarHBondContact CG-OH 3.33Å; E314-Y333 PolarHBondContact N-O 3.42Å; E314-Y333 VanDerWaalsContact OE2-CE2 3.26Å; E314-Y333 WeakPolarHBondContact OE2-CE2 3.41Å; E314-R337 VanDerWaalsContact CD-NH2 3.33Å; E314-R337 IonicContact OE1-CZ 3.55Å; E314-R337 IonicContact OE1-NE 3.38Å; E314-R337 PolarHBondContact OE1-NE 3.04Å; E314-R337 IonicContact OE1-NH2 2.94Å; E314-R337 PolarHBondContact OE1-NH2 2.99Å; E314-R337 IonicContact OE2-CZ 2.74Å; E314-R337 VanDerWaalsContact OE2-CZ 3.32Å; E314-R337 IonicContact OE2-NE 3.25Å; E314-R337 PolarHBondContact OE2-NE 3.49Å; E314-R337 IonicContact OE2-NH2 2.79Å; E314-R337 PolarHBondContact OE2-NH2 2.9Å; E314-R337 VanDerWaalsContact OE2-NH2 3.07Å
315A85.8Confident85.6Confident0 Ų037 Ų370%018%0.183CC..  trans-146.3156.9176.100000108.7Q265 K267 P313 T326 E331Q265-A315 HydrophobicContact CB-CB 4.4Å; K267-A315 HydrophobicContact CG-CB 4.29Å; P313-A315 WeakPolarHBondContact CB-O 3.42Å; P313-A315 WeakPolarHBondContact CG-O 3.33Å; P313-A315 PolarHBondContact O-N 3.36Å; A315-T326 WeakPolarHBondContact O-CB 3.43Å; A315-T326 WeakPolarHBondContact O-CG2 3.38Å; A315-E331 HydrophobicContact CB-CB 4.36Å; A315-E331 HydrophobicContact CB-CG 4.13Å
316F82.9Confident85.1Confident0 Ų035 Ų350%017%0.173CC..EExtended strand (participates in β ladder)trans-141.8164.5176.252.2-86.5000110Q265 L266 V268 M269 T299 T303 P313 F318Q265-F316 WeakPolarHBondContact CA-O 3.28Å; L266-F316 HydrophobicContact CB-CD2 3.95Å; L266-F316 HydrophobicContact CB-CE1 4.46Å; L266-F316 HydrophobicContact CB-CE2 3.57Å; L266-F316 HydrophobicContact CB-CZ 3.87Å; L266-F316 HydrophobicContact CD1-CD2 4.15Å; L266-F316 HydrophobicContact CD1-CE2 4.04Å; L266-F316 HydrophobicContact CG-CE2 4.38Å; L266-F316 PolarHBondContact N-O 3.34Å; V268-F316 HydrophobicContact CG2-CZ 4.32Å; M269-F316 HydrophobicContact CG-CE1 4.21Å; M269-F316 HydrophobicContact SD-CE1 4.35Å; T299-F316 HydrophobicContact CG2-CE2 4.39Å; T303-F316 HydrophobicContact CG2-CB 4.15Å; T303-F316 HydrophobicContact CG2-CD1 3.55Å; T303-F316 HydrophobicContact CG2-CD2 3.62Å; T303-F316 HydrophobicContact CG2-CE1 3.75Å; T303-F316 HydrophobicContact CG2-CE2 3.81Å; T303-F316 HydrophobicContact CG2-CG 3.48Å; T303-F316 VanDerWaalsContact CG2-CG 3.48Å; T303-F316 HydrophobicContact CG2-CZ 3.87Å; P313-F316 HydrophobicContact CG-CB 4.31Å; F316-F318 HydrophobicContact CD2-CD2 4.3Å; F316-F318 AromaticContact CD2-CE2 3.68Å; F316-F318 HydrophobicContact CD2-CE2 3.68Å; F316-F318 HydrophobicContact CD2-CZ 4.43Å; F316-F318 AromaticContact CE2-CE2 3.69Å; F316-F318 HydrophobicContact CE2-CE2 3.69Å; F316-F318 HydrophobicContact CE2-CZ 4.48Å
317S79.2Confident84.6Confident15 Ų1536.2 Ų36.211%0.10518%0.181CC..EExtended strand (participates in β ladder)trans-131.2156.4-179.957.40000110.9A322 A324 V325S317-A322 WeakPolarHBondContact OG-CB 3.23Å; S317-A324 PolarHBondContact O-N 3.44Å; S317-V325 PolarHBondContact N-O 2.81Å; S317-V325 PolarHBondContact OG-O 3.37Å; S317-V325 VanDerWaalsContact OG-O 3.08Å
318F73.1Confident84Confident3 Ų338.8 Ų38.81%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-124.6118.6165.2-67.9-93.8000108.4C253 I256 C259 L266 T299 F316 A322 E323 A324C253-F318 WeakPolarHBondContact SG-CD2 3.04Å; C253-F318 VanDerWaalsContact SG-CE2 3.5Å; I256-F318 HydrophobicContact CB-CE1 4.47Å; I256-F318 HydrophobicContact CG1-CE1 4.15Å; I256-F318 HydrophobicContact CG2-CE1 4.31Å; C259-F318 HydrophobicContact CB-CB 3.1Å; C259-F318 HydrophobicContact CB-CD1 3.85Å; C259-F318 HydrophobicContact CB-CD2 3.42Å; C259-F318 VanDerWaalsContact CB-CD2 3.42Å; C259-F318 HydrophobicContact CB-CE2 4.25Å; C259-F318 HydrophobicContact CB-CG 3.18Å; C259-F318 VanDerWaalsContact SG-CD2 3.5Å; L266-F318 HydrophobicContact CD1-CD2 3.54Å; L266-F318 HydrophobicContact CD1-CE2 4.01Å; T299-F318 HydrophobicContact CG2-CE2 3.68Å; T299-F318 HydrophobicContact CG2-CZ 3.43Å; T299-F318 VanDerWaalsContact CG2-CZ 3.43Å; F316-F318 HydrophobicContact CD2-CD2 4.3Å; F316-F318 AromaticContact CD2-CE2 3.68Å; F316-F318 HydrophobicContact CD2-CE2 3.68Å; F316-F318 HydrophobicContact CD2-CZ 4.43Å; F316-F318 AromaticContact CE2-CE2 3.69Å; F316-F318 HydrophobicContact CE2-CE2 3.69Å; F316-F318 HydrophobicContact CE2-CZ 4.48Å; F318-A322 CarbonylContact C-O 3.5Å; F318-A322 VanDerWaalsContact CA-O 3.23Å; F318-A322 WeakPolarHBondContact CA-O 3.47Å; F318-E323 HydrophobicContact CD1-CG 3.97Å; F318-E323 HydrophobicContact CE1-CG 4.06Å; F318-A324 HydrophobicContact CE1-CB 3.69Å; F318-A324 VanDerWaalsContact CE1-N 3.31Å; F318-A324 HydrophobicContact CE2-CB 4.45Å; F318-A324 HydrophobicContact CZ-CB 3.53Å
319N74.3Confident83.6Confident29 Ų2940.3 Ų40.316%0.15521%0.207CC..EExtended strand (participates in β ladder)trans-155.2-174.5172.754.335.5000108.5N263 E321 A322N263-N319 WeakPolarHBondContact OD1-CB 3.25Å; N263-N319 PolarHBondContact OD1-ND2 3.41Å; N319-E321 PolarHBondContact O-N 2.6Å; N319-E321 WeakPolarHBondContact OD1-CA 3.4Å; N319-E321 WeakPolarHBondContact OD1-CB 3.35Å; N319-E321 PolarHBondContact OD1-N 2.83Å; N319-A322 PolarHBondContact N-O 3.34Å; N319-A322 PolarHBondContact O-N 3.32Å; N319-A322 WeakPolarHBondContact OD1-CB 3.27Å; N319-A322 PolarHBondContact OD1-N 3.41Å
320D72Confident83.2Confident148 Ų14846.4 Ų46.479%0.79124%0.239SC*.THydrogen-bonded Turntrans-58.2-15.1178.2-64.7-32.2000113.4
321E70.5Confident82.8Confident143 Ų14341.7 Ų41.767%0.66822%0.223SC*.THydrogen-bonded Turntrans-115.9-16.3-166.2-100.8-171.4-135.900114N319 K327N319-E321 PolarHBondContact O-N 2.6Å; N319-E321 WeakPolarHBondContact OD1-CA 3.4Å; N319-E321 WeakPolarHBondContact OD1-CB 3.35Å; N319-E321 PolarHBondContact OD1-N 2.83Å; E321-K327 WeakPolarHBondContact O-CE 3.37Å; E321-K327 PolarHBondContact O-NZ 2.99Å; E321-K327 VanDerWaalsContact O-NZ 3.08Å; E321-K327 IonicContact OE2-NZ 2.74Å; E321-K327 PolarHBondContact OE2-NZ 3.44Å
322A71.8Confident82.7Confident6 Ų644.4 Ų44.45%0.0524%0.235CC..EExtended strand (participates in β ladder)trans-149.8129.9-175.200000109.4S317 F318 N319 V325S317-A322 WeakPolarHBondContact OG-CB 3.23Å; F318-A322 CarbonylContact C-O 3.5Å; F318-A322 VanDerWaalsContact CA-O 3.23Å; F318-A322 WeakPolarHBondContact CA-O 3.47Å; N319-A322 PolarHBondContact N-O 3.34Å; N319-A322 PolarHBondContact O-N 3.32Å; N319-A322 WeakPolarHBondContact OD1-CB 3.27Å; N319-A322 PolarHBondContact OD1-N 3.41Å; A322-V325 HydrophobicContact CB-CG2 3.71Å
323E78.6Confident82.9Confident80 Ų8047.8 Ų47.837%0.37425%0.247SC..EExtended strand (participates in β ladder)trans-124.9101.8176.8-165.8-167127.600109.2I256 R306 F318 V325I256-E323 HydrophobicContact CG2-CG 3.86Å; I256-E323 WeakPolarHBondContact CG2-OE1 3.47Å; R306-E323 IonicContact CZ-OE1 3.37Å; R306-E323 VanDerWaalsContact NH1-CD 3.29Å; R306-E323 PolarHBondContact NH1-O 3.23Å; R306-E323 IonicContact NH1-OE1 2.82Å; R306-E323 PolarHBondContact NH1-OE1 2.99Å; R306-E323 IonicContact NH2-OE1 3.08Å; R306-E323 PolarHBondContact NH2-OE1 3.25Å; F318-E323 HydrophobicContact CD1-CG 3.97Å; F318-E323 HydrophobicContact CE1-CG 4.06Å; E323-V325 VanDerWaalsContact C-N 3.3Å; E323-V325 PolarHBondContact O-N 2.83Å
324A78.1Confident83Confident0 Ų048 Ų480%025%0.248CC..EExtended strand (participates in β ladder)trans62.631.9-17600000114T303 S317 F318T303-A324 HydrophobicContact CG2-CB 3.85Å; S317-A324 PolarHBondContact O-N 3.44Å; F318-A324 HydrophobicContact CE1-CB 3.69Å; F318-A324 VanDerWaalsContact CE1-N 3.31Å; F318-A324 HydrophobicContact CE2-CB 4.45Å; F318-A324 HydrophobicContact CZ-CB 3.53Å
325V82.2Confident83.4Confident38 Ų3848.8 Ų48.823%0.2325%0.252CS..EExtended strand (participates in β ladder)trans-135.8160.8177.6-60.70000111.4S317 A322 E323 Y384S317-V325 PolarHBondContact N-O 2.81Å; S317-V325 PolarHBondContact OG-O 3.37Å; S317-V325 VanDerWaalsContact OG-O 3.08Å; A322-V325 HydrophobicContact CB-CG2 3.71Å; E323-V325 VanDerWaalsContact C-N 3.3Å; E323-V325 PolarHBondContact O-N 2.83Å; V325-Y384 VanDerWaalsContact CA-OH 3.28Å; V325-Y384 WeakPolarHBondContact CA-OH 3.26Å; V325-Y384 HydrophobicContact CB-CE1 4.17Å; V325-Y384 WeakPolarHBondContact CB-OH 3.3Å; V325-Y384 HydrophobicContact CG1-CE1 3.94Å
326T83.3Confident83.9Confident9 Ų948.8 Ų48.86%0.05525%0.252CS..  trans-107.1135.8169.9-176.40000112P313 A315 N328 E331 K332 Y384P313-T326 HydrophobicContact CB-CG2 3.74Å; P313-T326 HydrophobicContact CG-CG2 4.15Å; A315-T326 WeakPolarHBondContact O-CB 3.43Å; A315-T326 WeakPolarHBondContact O-CG2 3.38Å; T326-N328 PolarHBondContact OG1-N 2.84Å; T326-E331 HydrophobicContact CG2-CB 3.98Å; T326-E331 PolarHBondContact OG1-OE2 2.93Å; T326-K332 HydrophobicContact CG2-CG 4Å; T326-Y384 HydrophobicContact CG2-CE2 3.98Å; T326-Y384 PolarHBondContact N-OH 3.12Å
327K81.4Confident84.6Confident117 Ų11751.4 Ų51.451%0.50926%0.262SS..  trans-91.1-16.5168.5-64.6-168.2178.7-171.40112.4E321 A329E321-K327 WeakPolarHBondContact O-CE 3.37Å; E321-K327 PolarHBondContact O-NZ 2.99Å; E321-K327 VanDerWaalsContact O-NZ 3.08Å; E321-K327 IonicContact OE2-NZ 2.74Å; E321-K327 PolarHBondContact OE2-NZ 3.44Å; K327-A329 PolarHBondContact O-N 3.44Å
328N84.3Confident85.4Confident61 Ų6150.8 Ų50.833%0.32626%0.258SS..  trans-73.9118178.9-173.5-5.9000109.5T326 N330 E331 K332T326-N328 PolarHBondContact OG1-N 2.84Å; N328-N330 PolarHBondContact O-N 3.29Å; N328-N330 VanDerWaalsContact O-N 3.16Å; N328-N330 PolarHBondContact OD1-N 2.95Å; N328-E331 HydrophobicContact CB-CB 4.27Å; N328-E331 HydrophobicContact CB-CG 4.21Å; N328-E331 WeakPolarHBondContact CB-OE2 3.14Å; N328-E331 VanDerWaalsContact ND2-CD 3.33Å; N328-E331 PolarHBondContact ND2-OE1 3.47Å; N328-E331 PolarHBondContact O-N 3.4Å; N328-E331 VanDerWaalsContact O-N 3.07Å; N328-K332 WeakPolarHBondContact O-CG 3.44Å
329A87.9Confident86.5Confident68 Ų6852.5 Ų52.556%0.56227%0.266SS*.G310 helixtrans-57.1-3117900000112.7K327 E331K327-A329 PolarHBondContact O-N 3.44Å; A329-E331 PolarHBondContact O-N 3.16Å
330N88.8Confident87.5Confident128 Ų12851.1 Ų51.168%0.68426%0.258SS*.G310 helixtrans-79.3-0.9-178.8-64.4-24.9000113.9N328 Y333N328-N330 PolarHBondContact O-N 3.29Å; N328-N330 VanDerWaalsContact O-N 3.16Å; N328-N330 PolarHBondContact OD1-N 2.95Å; N330-Y333 WeakPolarHBondContact O-CD1 3.41Å; N330-Y333 WeakPolarHBondContact O-CE1 3.38Å
331E90.6Very high88.8Confident22 Ų2244.1 Ų44.110%0.10322%0.221CC..G310 helixtrans-117.6-1.9-178.8-73159.9-158.200112.6Q265 P313 E314 A315 T326 N328 A329 Y333Q265-E331 VanDerWaalsContact CD-OE1 3.22Å; Q265-E331 PolarHBondContact NE2-OE1 3.47Å; Q265-E331 PolarHBondContact NE2-OE2 2.7Å; Q265-E331 PolarHBondContact OE1-OE1 2.95Å; P313-E331 VanDerWaalsContact CB-O 3.26Å; P313-E331 WeakPolarHBondContact CB-O 3.2Å; E314-E331 WeakPolarHBondContact CB-O 3.45Å; E314-E331 PolarHBondContact N-O 3.36Å; A315-E331 HydrophobicContact CB-CB 4.36Å; A315-E331 HydrophobicContact CB-CG 4.13Å; T326-E331 HydrophobicContact CG2-CB 3.98Å; T326-E331 PolarHBondContact OG1-OE2 2.93Å; N328-E331 HydrophobicContact CB-CB 4.27Å; N328-E331 HydrophobicContact CB-CG 4.21Å; N328-E331 WeakPolarHBondContact CB-OE2 3.14Å; N328-E331 VanDerWaalsContact ND2-CD 3.33Å; N328-E331 PolarHBondContact ND2-OE1 3.47Å; N328-E331 PolarHBondContact O-N 3.4Å; N328-E331 VanDerWaalsContact O-N 3.07Å; A329-E331 PolarHBondContact O-N 3.16Å; E331-Y333 PolarHBondContact O-N 2.96Å; E331-Y333 VanDerWaalsContact O-N 3.13Å
332K95.2Very high90.1Very high57 Ų5737.8 Ų37.825%0.24819%0.192CC..  trans-70.4-7.5-178.2-59.3-175.7173.4-177.50113.1T326 N328 K381 N382 V383 Y384T326-K332 HydrophobicContact CG2-CG 4Å; N328-K332 WeakPolarHBondContact O-CG 3.44Å; K332-K381 CarbonylContact C-O 3.52Å; K332-N382 HydrophobicContact CB-CB 4.35Å; K332-N382 CarbonylContact O-C 3.53Å; K332-N382 VanDerWaalsContact O-CA 3.27Å; K332-N382 WeakPolarHBondContact O-CA 3.41Å; K332-V383 WeakPolarHBondContact O-CG1 3.27Å; K332-V383 WeakPolarHBondContact O-CG2 3.46Å; K332-V383 PolarHBondContact O-N 3.03Å; K332-Y384 HydrophobicContact CB-CD2 4.24Å; K332-Y384 HydrophobicContact CB-CE2 4.31Å; K332-Y384 HydrophobicContact CD-CD2 3.97Å; K332-Y384 HydrophobicContact CD-CE2 4.33Å; K332-Y384 HydrophobicContact CG-CD2 4Å; K332-Y384 HydrophobicContact CG-CE2 3.94Å
333Y96.5Very high91.3Very high72 Ų7237.5 Ų37.528%0.28219%0.189SC..  trans-77.7160-176.367.3-104.5000111.8P313 E314 N330 E331 I335 I380 K381P313-Y333 CarbonylContact C-O 3.56Å; P313-Y333 WeakPolarHBondContact CA-O 3.3Å; E314-Y333 HydrophobicContact CB-CD1 4.48Å; E314-Y333 HydrophobicContact CB-CD2 4Å; E314-Y333 HydrophobicContact CB-CE1 4.11Å; E314-Y333 HydrophobicContact CB-CE2 3.6Å; E314-Y333 HydrophobicContact CB-CG 4.45Å; E314-Y333 HydrophobicContact CG-CE1 4.2Å; E314-Y333 HydrophobicContact CG-CE2 3.75Å; E314-Y333 WeakPolarHBondContact CG-OH 3.33Å; E314-Y333 PolarHBondContact N-O 3.42Å; E314-Y333 VanDerWaalsContact OE2-CE2 3.26Å; E314-Y333 WeakPolarHBondContact OE2-CE2 3.41Å; N330-Y333 WeakPolarHBondContact O-CD1 3.41Å; N330-Y333 WeakPolarHBondContact O-CE1 3.38Å; E331-Y333 PolarHBondContact O-N 2.96Å; E331-Y333 VanDerWaalsContact O-N 3.13Å; Y333-I335 HydrophobicContact CD2-CB 4.43Å; Y333-I335 HydrophobicContact CD2-CG1 4.42Å; Y333-I335 HydrophobicContact CD2-CG2 3.52Å; Y333-I335 HydrophobicContact CE2-CB 4.48Å; Y333-I335 HydrophobicContact CE2-CD1 4.25Å; Y333-I335 HydrophobicContact CE2-CG1 4.1Å; Y333-I335 HydrophobicContact CE2-CG2 3.72Å; Y333-I380 CarbonylContact C-O 3.52Å; Y333-I380 WeakPolarHBondContact CA-O 3.23Å; Y333-I380 VanDerWaalsContact CB-O 3.27Å; Y333-I380 WeakPolarHBondContact CB-O 3.35Å; Y333-K381 PolarHBondContact N-O 2.96Å
334Y97.3Very high92.3Very high5 Ų533.8 Ų33.82%0.0217%0.172CC..BIsolated β-bridgetrans-131.9119.1168.7169.6-102.6000108.5Y304 L311 G312 L336 R337 I367 G379 I380Y304-Y334 WeakPolarHBondContact OH-CE2 3.31Å; L311-Y334 HydrophobicContact CB-CD1 4.18Å; L311-Y334 HydrophobicContact CB-CD2 4.49Å; L311-Y334 HydrophobicContact CB-CG 4.12Å; L311-Y334 HydrophobicContact CD1-CD1 3.75Å; L311-Y334 HydrophobicContact CD1-CE1 3.96Å; L311-Y334 HydrophobicContact CD1-CG 4.48Å; L311-Y334 HydrophobicContact CD2-CD1 4.35Å; L311-Y334 HydrophobicContact CD2-CE1 3.92Å; L311-Y334 HydrophobicContact CG-CD1 4.31Å; L311-Y334 HydrophobicContact CG-CE1 4.36Å; G312-Y334 WeakPolarHBondContact O-CD2 3.25Å; Y334-L336 HydrophobicContact CE1-CD2 3.99Å; Y334-R337 HydrophobicContact CE2-CB 4.16Å; Y334-R337 PolarHBondContact OH-O 2.87Å; Y334-I367 HydrophobicContact CE1-CG1 4.18Å; Y334-G379 CarbonylContact O-C 3.54Å; Y334-G379 WeakPolarHBondContact O-CA 3.34Å; Y334-I380 HydrophobicContact CD1-CG1 4.37Å; Y334-I380 PolarHBondContact N-O 3.46Å; Y334-I380 PolarHBondContact O-N 3.41Å
335I96.8Very high93.3Very high24 Ų2433.8 Ų33.812%0.12317%0.172CC..  trans-106.135.9-173.757.1165.8000112.9Y333 R337 F397Y333-I335 HydrophobicContact CD2-CB 4.43Å; Y333-I335 HydrophobicContact CD2-CG1 4.42Å; Y333-I335 HydrophobicContact CD2-CG2 3.52Å; Y333-I335 HydrophobicContact CE2-CB 4.48Å; Y333-I335 HydrophobicContact CE2-CD1 4.25Å; Y333-I335 HydrophobicContact CE2-CG1 4.1Å; Y333-I335 HydrophobicContact CE2-CG2 3.72Å; I335-R337 HydrophobicContact CG1-CG 4.15Å; I335-F397 HydrophobicContact CD1-CZ 4.11Å; I335-F397 HydrophobicContact CG1-CZ 4.29Å; I335-F397 WeakPolarHBondContact O-CE2 3.46Å; I335-F397 WeakPolarHBondContact O-CZ 3Å
336L97.9Very high94Very high0 Ų032 Ų320%016%0.161CC..  trans69.428.7176.9-50.7174.1000115.1Y334 I367 C371 Y377 F397 F398 T402Y334-L336 HydrophobicContact CE1-CD2 3.99Å; L336-I367 HydrophobicContact CD2-CG2 4.36Å; L336-C371 HydrophobicContact CD2-CB 3.76Å; L336-Y377 WeakPolarHBondContact CD1-O 3.29Å; L336-F397 HydrophobicContact CB-CE2 4.43Å; L336-F397 WeakPolarHBondContact O-CE2 3.44Å; L336-F398 HydrophobicContact CB-CB 3.98Å; L336-F398 HydrophobicContact CB-CD2 3.68Å; L336-F398 HydrophobicContact CB-CG 4.07Å; L336-F398 HydrophobicContact CD1-CB 3.86Å; L336-F398 HydrophobicContact CD1-CD1 4.22Å; L336-F398 HydrophobicContact CD1-CD2 3.99Å; L336-F398 HydrophobicContact CD1-CG 3.74Å; L336-F398 HydrophobicContact CD2-CD2 4.18Å; L336-F398 HydrophobicContact CD2-CE2 4.25Å; L336-F398 HydrophobicContact CG-CD2 4.18Å; L336-F398 HydrophobicContact CG-CG 4.4Å; L336-T402 PolarHBondContact O-OG1 2.9Å
337R96Very high94.7Very high54 Ų5431.6 Ų31.620%0.20416%0.158CC..  trans-61.9138.9-174.1-102.9-172.2-156.3-60.8-3.5114.7E314 Y334 I335 E339E314-R337 VanDerWaalsContact CD-NH2 3.33Å; E314-R337 IonicContact OE1-CZ 3.55Å; E314-R337 IonicContact OE1-NE 3.38Å; E314-R337 PolarHBondContact OE1-NE 3.04Å; E314-R337 IonicContact OE1-NH2 2.94Å; E314-R337 PolarHBondContact OE1-NH2 2.99Å; E314-R337 IonicContact OE2-CZ 2.74Å; E314-R337 VanDerWaalsContact OE2-CZ 3.32Å; E314-R337 IonicContact OE2-NE 3.25Å; E314-R337 PolarHBondContact OE2-NE 3.49Å; E314-R337 IonicContact OE2-NH2 2.79Å; E314-R337 PolarHBondContact OE2-NH2 2.9Å; E314-R337 VanDerWaalsContact OE2-NH2 3.07Å; Y334-R337 HydrophobicContact CE2-CB 4.16Å; Y334-R337 PolarHBondContact OH-O 2.87Å; I335-R337 HydrophobicContact CG1-CG 4.15Å; R337-E339 WeakPolarHBondContact CB-OE2 3.38Å; R337-E339 WeakPolarHBondContact CD-OE1 3.25Å; R337-E339 WeakPolarHBondContact CD-OE2 3.47Å; R337-E339 WeakPolarHBondContact CG-OE2 3.44Å; R337-E339 IonicContact CZ-OE1 3.66Å; R337-E339 IonicContact NH1-OE1 2.71Å; R337-E339 PolarHBondContact NH1-OE1 3.17Å; R337-E339 VanDerWaalsContact NH1-OE1 3.11Å
338P97.3Very high95.5Very high3 Ų326.8 Ų26.82%0.01914%0.137CC..  trans-88.5-18.9-175.134.1-36.9000115.1V340 L341 E342 E401 T402 Y405P338-V340 VanDerWaalsContact C-N 3.3Å; P338-V340 PolarHBondContact O-N 3.01Å; P338-V340 VanDerWaalsContact O-N 3.12Å; P338-L341 CarbonylContact O-C 3.54Å; P338-L341 WeakPolarHBondContact O-CA 3.46Å; P338-L341 WeakPolarHBondContact O-CB 3.4Å; P338-L341 PolarHBondContact O-N 3.27Å; P338-E342 PolarHBondContact O-N 3.04Å; P338-E401 HydrophobicContact CB-CB 3.53Å; P338-E401 HydrophobicContact CG-CB 3.76Å; P338-E401 HydrophobicContact CG-CG 4.38Å; P338-E401 WeakPolarHBondContact CG-OE2 3.32Å; P338-T402 WeakPolarHBondContact CA-OG1 3.49Å; P338-T402 WeakPolarHBondContact CB-OG1 3.35Å; P338-Y405 HydrophobicContact CB-CD2 4.16Å; P338-Y405 HydrophobicContact CB-CE2 4.4Å
339E95.3Very high96.1Very high38 Ų3824.3 Ų24.318%0.17812%0.123CC..Hα-helixtrans-62.5-33.7-157.1-58.586.1162.500113.1M269 H270 R337 S343M269-E339 HydrophobicContact CB-CB 3.73Å; H270-E339 HydrophobicContact CB-CB 4.28Å; H270-E339 HydrophobicContact CB-CG 4.31Å; R337-E339 WeakPolarHBondContact CB-OE2 3.38Å; R337-E339 WeakPolarHBondContact CD-OE1 3.25Å; R337-E339 WeakPolarHBondContact CD-OE2 3.47Å; R337-E339 WeakPolarHBondContact CG-OE2 3.44Å; R337-E339 IonicContact CZ-OE1 3.66Å; R337-E339 IonicContact NH1-OE1 2.71Å; R337-E339 PolarHBondContact NH1-OE1 3.17Å; R337-E339 VanDerWaalsContact NH1-OE1 3.11Å; E339-S343 PolarHBondContact O-N 3.18Å; E339-S343 PolarHBondContact O-OG 3.13Å
340V96.1Very high96.5Very high0 Ų022.6 Ų22.60%011%0.109CC..Hα-helixtrans-70.9-40.7175.1177.50000111.6M269 C300 Y304 P338 S343 Y344M269-V340 HydrophobicContact CB-CG2 3.88Å; M269-V340 HydrophobicContact CG-CG2 3.85Å; M269-V340 HydrophobicContact SD-CG2 3.41Å; M269-V340 WeakPolarHBondContact SD-CG2 3.37Å; C300-V340 HydrophobicContact CB-CG1 4.36Å; C300-V340 HydrophobicContact CB-CG2 3.95Å; Y304-V340 HydrophobicContact CD2-CG1 4.48Å; Y304-V340 HydrophobicContact CD2-CG2 4.41Å; Y304-V340 HydrophobicContact CE2-CB 4.06Å; Y304-V340 HydrophobicContact CE2-CG1 4.15Å; Y304-V340 HydrophobicContact CE2-CG2 3.58Å; P338-V340 VanDerWaalsContact C-N 3.3Å; P338-V340 PolarHBondContact O-N 3.01Å; P338-V340 VanDerWaalsContact O-N 3.12Å; V340-S343 WeakPolarHBondContact O-CB 3.45Å; V340-S343 PolarHBondContact O-N 3.06Å; V340-Y344 HydrophobicContact CG1-CD2 4.39Å; V340-Y344 HydrophobicContact CG1-CE1 3.83Å; V340-Y344 HydrophobicContact CG1-CE2 3.66Å; V340-Y344 VanDerWaalsContact CG1-OH 3.29Å; V340-Y344 WeakPolarHBondContact CG1-OH 3.41Å; V340-Y344 WeakPolarHBondContact O-CD1 3.21Å; V340-Y344 VanDerWaalsContact O-CG 3.31Å; V340-Y344 PolarHBondContact O-N 3.16Å
341L98.3Very high96.8Very high2 Ų218.6 Ų18.61%0.019%0.089CC..Hα-helixtrans-70.9-35.6177.8-70.6162000111.5P338 Y344 F345 A360 A363 I367 T402 L406P338-L341 CarbonylContact O-C 3.54Å; P338-L341 WeakPolarHBondContact O-CA 3.46Å; P338-L341 WeakPolarHBondContact O-CB 3.4Å; P338-L341 PolarHBondContact O-N 3.27Å; L341-Y344 HydrophobicContact CD2-CD2 4.12Å; L341-Y344 PolarHBondContact O-N 2.88Å; L341-F345 WeakPolarHBondContact O-CB 3.49Å; L341-F345 PolarHBondContact O-N 3.36Å; L341-A360 HydrophobicContact CD2-CB 3.94Å; L341-A363 HydrophobicContact CD2-CB 4.02Å; L341-I367 HydrophobicContact CD1-CD1 4.46Å; L341-T402 HydrophobicContact CD1-CG2 3.57Å; L341-L406 HydrophobicContact CD1-CD1 4.03Å; L341-L406 HydrophobicContact CD1-CD2 4.32Å; L341-L406 HydrophobicContact CD1-CG 3.88Å; L341-L406 HydrophobicContact CD2-CD2 3.55Å; L341-L406 HydrophobicContact CD2-CG 3.99Å; L341-L406 HydrophobicContact CG-CG 4.48Å
342E98.3Very high97.1Very high10 Ų1022.9 Ų22.95%0.04711%0.107CC..Hα-helixtrans-57.3-49169.2178.9-179.2-152.100110.8P338 Y344 F345 Y346 Y405P338-E342 PolarHBondContact O-N 3.04Å; E342-Y344 PolarHBondContact O-N 2.72Å; E342-F345 WeakPolarHBondContact O-CB 3.4Å; E342-F345 PolarHBondContact O-N 3.44Å; E342-F345 VanDerWaalsContact O-N 3.17Å; E342-Y346 HydrophobicContact CG-CD2 3.66Å; E342-Y346 HydrophobicContact CG-CE2 3.47Å; E342-Y346 VanDerWaalsContact CG-CE2 3.47Å; E342-Y346 WeakPolarHBondContact O-CD2 3.49Å; E342-Y346 PolarHBondContact O-N 3Å; E342-Y346 WeakPolarHBondContact OE1-CE2 3.43Å; E342-Y405 HydrophobicContact CB-CD2 3.83Å; E342-Y405 HydrophobicContact CB-CE1 4.33Å; E342-Y405 HydrophobicContact CB-CE2 3.59Å; E342-Y405 HydrophobicContact CB-CG 4.28Å; E342-Y405 HydrophobicContact CG-CD2 4.45Å; E342-Y405 HydrophobicContact CG-CE1 4.03Å; E342-Y405 HydrophobicContact CG-CE2 3.81Å; E342-Y405 PolarHBondContact OE1-OH 3.48Å; E342-Y405 VanDerWaalsContact OE1-OH 3.08Å
343S97.9Very high97.3Very high0 Ų023 Ų230%011%0.111CC..Hα-helixtrans-57.9-45.1175.5-81.20000112.8M269 G272 G273 T297 E339 V340 F345 L347M269-S343 PolarHBondContact O-OG 2.87Å; G272-S343 WeakPolarHBondContact CA-OG 3.39Å; G273-S343 PolarHBondContact N-OG 3.2Å; T297-S343 WeakPolarHBondContact OG1-CB 3.2Å; E339-S343 PolarHBondContact O-N 3.18Å; E339-S343 PolarHBondContact O-OG 3.13Å; V340-S343 WeakPolarHBondContact O-CB 3.45Å; V340-S343 PolarHBondContact O-N 3.06Å; S343-F345 VanDerWaalsContact C-N 3.34Å; S343-F345 PolarHBondContact O-N 2.82Å; S343-L347 WeakPolarHBondContact O-CB 3.16Å; S343-L347 PolarHBondContact O-N 3.33Å
344Y98.6Very high97.3Very high1 Ų123 Ų230%0.00412%0.12CC..Hα-helixtrans-61.3-42.9175-61.7-20.6000111.8T297 H301 V340 L341 E342 W348 Y356 W359 A360T297-Y344 HydrophobicContact CG2-CD1 3.37Å; T297-Y344 HydrophobicContact CG2-CE1 3.44Å; T297-Y344 VanDerWaalsContact CG2-CE1 3.44Å; H301-Y344 VanDerWaalsContact CA-OH 3.32Å; H301-Y344 WeakPolarHBondContact CA-OH 3.5Å; H301-Y344 HydrophobicContact CB-CE1 4.32Å; H301-Y344 VanDerWaalsContact CB-OH 3.31Å; H301-Y344 WeakPolarHBondContact CB-OH 3.35Å; H301-Y344 AromaticContact ND1-CZ 3.98Å; H301-Y344 PolarHBondContact ND1-OH 2.66Å; H301-Y344 VanDerWaalsContact ND1-OH 3.09Å; V340-Y344 HydrophobicContact CG1-CD2 4.39Å; V340-Y344 HydrophobicContact CG1-CE1 3.83Å; V340-Y344 HydrophobicContact CG1-CE2 3.66Å; V340-Y344 VanDerWaalsContact CG1-OH 3.29Å; V340-Y344 WeakPolarHBondContact CG1-OH 3.41Å; V340-Y344 WeakPolarHBondContact O-CD1 3.21Å; V340-Y344 VanDerWaalsContact O-CG 3.31Å; V340-Y344 PolarHBondContact O-N 3.16Å; L341-Y344 HydrophobicContact CD2-CD2 4.12Å; L341-Y344 PolarHBondContact O-N 2.88Å; E342-Y344 PolarHBondContact O-N 2.72Å; Y344-W348 WeakPolarHBondContact O-CB 3.26Å; Y344-W348 PolarHBondContact O-N 3.35Å; Y344-Y356 HydrophobicContact CD1-CD1 4.06Å; Y344-W359 HydrophobicContact CD1-CE3 4.01Å; Y344-W359 HydrophobicContact CD2-CB 4.09Å; Y344-W359 HydrophobicContact CE1-CB 4.27Å; Y344-W359 HydrophobicContact CE1-CD2 4.42Å; Y344-W359 AromaticContact CE1-CE3 3.52Å; Y344-W359 HydrophobicContact CE1-CE3 3.52Å; Y344-W359 HydrophobicContact CE1-CZ3 4.22Å; Y344-W359 HydrophobicContact CE2-CB 3.7Å; Y344-A360 HydrophobicContact CD2-CB 4.07Å
345F98.4Very high97.4Very high0 Ų024.8 Ų24.80%013%0.128CC..Hα-helixtrans-60.7-51.6179.2165.8-107.9000112.2L341 E342 S343 W348 R349 Y405 L408 I409 L418L341-F345 WeakPolarHBondContact O-CB 3.49Å; L341-F345 PolarHBondContact O-N 3.36Å; E342-F345 WeakPolarHBondContact O-CB 3.4Å; E342-F345 PolarHBondContact O-N 3.44Å; E342-F345 VanDerWaalsContact O-N 3.17Å; S343-F345 VanDerWaalsContact C-N 3.34Å; S343-F345 PolarHBondContact O-N 2.82Å; F345-W348 HydrophobicContact CD2-CE3 4.4Å; F345-W348 PolarHBondContact O-N 3.37Å; F345-R349 HydrophobicContact CD2-CG 4.16Å; F345-R349 HydrophobicContact CE2-CG 3.73Å; F345-R349 VanDerWaalsContact CE2-NE 3.31Å; F345-R349 HydrophobicContact CZ-CG 3.94Å; F345-R349 WeakPolarHBondContact O-CG 3.3Å; F345-R349 PolarHBondContact O-N 3.01Å; F345-Y405 HydrophobicContact CB-CD1 4.05Å; F345-Y405 AromaticContact CD1-CD1 3.65Å; F345-Y405 HydrophobicContact CD1-CD1 3.65Å; F345-Y405 AromaticContact CD1-CE1 3.8Å; F345-Y405 HydrophobicContact CD1-CE1 3.8Å; F345-Y405 HydrophobicContact CE1-CD1 4.33Å; F345-Y405 HydrophobicContact CE1-CE1 4.25Å; F345-Y405 AromaticContact CG-CD1 3.93Å; F345-Y405 HydrophobicContact CG-CD1 3.93Å; F345-L408 HydrophobicContact CD2-CB 3.9Å; F345-L408 HydrophobicContact CE2-CB 3.56Å; F345-L408 HydrophobicContact CE2-CD1 4.48Å; F345-L408 HydrophobicContact CZ-CB 4.17Å; F345-L408 HydrophobicContact CZ-CD1 4.28Å; F345-I409 HydrophobicContact CB-CB 4.43Å; F345-I409 HydrophobicContact CD2-CB 4.25Å; F345-L418 HydrophobicContact CE1-CD2 4.24Å; F345-L418 HydrophobicContact CZ-CD2 4.29Å
346Y98.2Very high97.5Very high2 Ų223.8 Ų23.81%0.00812%0.123CC..Hα-helixtrans-67.2-39.1-179.2-75.5-64.5000112.4L277 M280 E342 R349 A350 L418L277-Y346 HydrophobicContact CB-CD1 4.06Å; L277-Y346 HydrophobicContact CB-CE1 4.25Å; L277-Y346 HydrophobicContact CB-CG 4.4Å; L277-Y346 HydrophobicContact CD1-CD1 4.07Å; L277-Y346 HydrophobicContact CD1-CE1 3.78Å; L277-Y346 HydrophobicContact CD2-CE1 4.12Å; L277-Y346 HydrophobicContact CG-CE1 4.27Å; M280-Y346 HydrophobicContact CE-CD1 3.89Å; E342-Y346 HydrophobicContact CG-CD2 3.66Å; E342-Y346 HydrophobicContact CG-CE2 3.47Å; E342-Y346 VanDerWaalsContact CG-CE2 3.47Å; E342-Y346 WeakPolarHBondContact O-CD2 3.49Å; E342-Y346 PolarHBondContact O-N 3Å; E342-Y346 WeakPolarHBondContact OE1-CE2 3.43Å; Y346-R349 PolarHBondContact O-N 3.34Å; Y346-A350 WeakPolarHBondContact O-CB 3Å; Y346-A350 PolarHBondContact O-N 2.73Å; Y346-L418 HydrophobicContact CD1-CD1 3.75Å; Y346-L418 HydrophobicContact CE1-CD1 3.86Å; Y346-L418 HydrophobicContact CE1-CD2 4.02Å
347L98Very high97.5Very high0 Ų026.1 Ų26.10%013%0.134CC..Hα-helixtrans-66.7-41175.8-84165.9000112.2A276 L290 A293 Q294 T297 S343 R349 A350 T351 Y356A276-L347 HydrophobicContact CB-CD2 3.79Å; A276-L347 HydrophobicContact CB-CG 3.75Å; L290-L347 HydrophobicContact CD1-CD2 4.1Å; A293-L347 HydrophobicContact CB-CD2 3.95Å; Q294-L347 HydrophobicContact CG-CD2 3.86Å; T297-L347 HydrophobicContact CG2-CD1 3.63Å; T297-L347 WeakPolarHBondContact OG1-CD1 3.47Å; S343-L347 WeakPolarHBondContact O-CB 3.16Å; S343-L347 PolarHBondContact O-N 3.33Å; L347-R349 VanDerWaalsContact C-N 3.32Å; L347-R349 PolarHBondContact O-N 3.06Å; L347-A350 PolarHBondContact O-N 2.72Å; L347-A350 VanDerWaalsContact O-N 3.12Å; L347-T351 HydrophobicContact CD2-CG2 4.48Å; L347-T351 PolarHBondContact O-N 3.12Å; L347-T351 PolarHBondContact O-OG1 2.84Å; L347-Y356 HydrophobicContact CB-CD1 4.06Å; L347-Y356 HydrophobicContact CB-CD2 3.89Å; L347-Y356 HydrophobicContact CB-CE1 3.81Å; L347-Y356 HydrophobicContact CB-CE2 3.63Å; L347-Y356 HydrophobicContact CB-CG 4.11Å; L347-Y356 HydrophobicContact CD1-CD1 4.43Å; L347-Y356 HydrophobicContact CD1-CE1 3.66Å; L347-Y356 HydrophobicContact CG-CE1 4.31Å
348W98.2Very high97.6Very high15 Ų1529.3 Ų29.36%0.05715%0.151CC..Hα-helixtrans-58.4-44.5171.8173.971.4000111.5Y344 F345 A350 K352 Y356 Q357 I409 S411 L413Y344-W348 WeakPolarHBondContact O-CB 3.26Å; Y344-W348 PolarHBondContact O-N 3.35Å; F345-W348 HydrophobicContact CD2-CE3 4.4Å; F345-W348 PolarHBondContact O-N 3.37Å; W348-A350 VanDerWaalsContact C-N 3.32Å; W348-A350 PolarHBondContact O-N 2.9Å; W348-K352 VanDerWaalsContact O-CA 3.25Å; W348-K352 WeakPolarHBondContact O-CA 3.41Å; W348-K352 PolarHBondContact O-N 2.84Å; W348-Y356 HydrophobicContact CB-CD2 4.42Å; W348-Q357 HydrophobicContact CD2-CG 4.39Å; W348-Q357 HydrophobicContact CG-CG 4.14Å; W348-I409 HydrophobicContact CB-CD1 4.16Å; W348-I409 HydrophobicContact CB-CG1 4Å; W348-I409 HydrophobicContact CD2-CG1 3.99Å; W348-I409 HydrophobicContact CE3-CG1 3.86Å; W348-I409 HydrophobicContact CG-CG1 4.02Å; W348-I409 WeakPolarHBondContact CZ3-O 3.38Å; W348-S411 VanDerWaalsContact CH2-O 3.25Å; W348-S411 WeakPolarHBondContact CH2-O 3.41Å; W348-L413 HydrophobicContact CH2-CD2 3.5Å; W348-L413 VanDerWaalsContact CH2-CD2 3.5Å; W348-L413 HydrophobicContact CH2-CG 3.98Å; W348-L413 HydrophobicContact CZ2-CD2 3.57Å; W348-L413 HydrophobicContact CZ2-CG 3.94Å; W348-L413 HydrophobicContact CZ3-CD2 4.1Å
349R97Very high97.7Very high10 Ų1030.7 Ų30.74%0.03816%0.156CC..Hα-helixtrans-64.2-35174.7-69-73.9177.4167.5-11.2111.9M280 F345 Y346 L347 K352 L408 P412 L413 E415 L418M280-R349 HydrophobicContact CE-CB 4.46Å; M280-R349 HydrophobicContact SD-CB 3.99Å; F345-R349 HydrophobicContact CD2-CG 4.16Å; F345-R349 HydrophobicContact CE2-CG 3.73Å; F345-R349 VanDerWaalsContact CE2-NE 3.31Å; F345-R349 HydrophobicContact CZ-CG 3.94Å; F345-R349 WeakPolarHBondContact O-CG 3.3Å; F345-R349 PolarHBondContact O-N 3.01Å; Y346-R349 PolarHBondContact O-N 3.34Å; L347-R349 VanDerWaalsContact C-N 3.32Å; L347-R349 PolarHBondContact O-N 3.06Å; R349-K352 PolarHBondContact O-NZ 3.19Å; R349-L408 PolarHBondContact NH2-O 3.06Å; R349-P412 PolarHBondContact NH1-O 3.1Å; R349-P412 PolarHBondContact NH2-O 3.18Å; R349-P412 VanDerWaalsContact NH2-O 3.16Å; R349-L413 VanDerWaalsContact NH1-CA 3.27Å; R349-L413 PolarHBondContact NH1-O 2.91Å; R349-E415 PolarHBondContact NH1-O 3.31Å; R349-E415 PolarHBondContact NH2-O 3.48Å; R349-L418 HydrophobicContact CB-CD1 3.99Å; R349-L418 HydrophobicContact CG-CD1 4.13Å
350A95.5Very high97.9Very high32 Ų3228.9 Ų28.926%0.26415%0.148SC..Hα-helixtrans-75.4-44.918000000113A276 M280 Y346 L347 W348A276-A350 HydrophobicContact CB-CB 4.47Å; M280-A350 HydrophobicContact CG-CB 3.74Å; M280-A350 HydrophobicContact SD-CB 3.96Å; Y346-A350 WeakPolarHBondContact O-CB 3Å; Y346-A350 PolarHBondContact O-N 2.73Å; L347-A350 PolarHBondContact O-N 2.72Å; L347-A350 VanDerWaalsContact O-N 3.12Å; W348-A350 VanDerWaalsContact C-N 3.32Å; W348-A350 PolarHBondContact O-N 2.9Å
351T96.2Very high98Very high43 Ų4335.4 Ų35.426%0.26417%0.173SC..Hα-helixtrans-105.7-20.2-168.469.60000114.4L290 L347 D353L290-T351 HydrophobicContact CD1-CG2 4Å; L347-T351 HydrophobicContact CD2-CG2 4.48Å; L347-T351 PolarHBondContact O-N 3.12Å; L347-T351 PolarHBondContact O-OG1 2.84Å; T351-D353 PolarHBondContact O-N 2.94Å; T351-D353 VanDerWaalsContact OG1-CB 3.27Å; T351-D353 WeakPolarHBondContact OG1-CB 3.41Å; T351-D353 PolarHBondContact OG1-N 2.69Å; T351-D353 VanDerWaalsContact OG1-N 3.12Å
352K96.7Very high98Very high113 Ų11338.6 Ų38.649%0.49119%0.19SC..  trans60.719.7-169.5-45.3-55.7-167.5-123.30114.1W348 R349 P354 L413W348-K352 VanDerWaalsContact O-CA 3.25Å; W348-K352 WeakPolarHBondContact O-CA 3.41Å; W348-K352 PolarHBondContact O-N 2.84Å; R349-K352 PolarHBondContact O-NZ 3.19Å; K352-P354 WeakPolarHBondContact O-CD 3.35Å; K352-L413 HydrophobicContact CD-CD1 3.76Å; K352-L413 HydrophobicContact CD-CD2 3.65Å; K352-L413 HydrophobicContact CD-CG 4.37Å
353D97.9Very high98Very high59 Ų5938.2 Ų38.232%0.31619%0.188SC..  trans-76.2118.7178.9-169.7-24.5000110.5T351 M355 Y356T351-D353 PolarHBondContact O-N 2.94Å; T351-D353 VanDerWaalsContact OG1-CB 3.27Å; T351-D353 WeakPolarHBondContact OG1-CB 3.41Å; T351-D353 PolarHBondContact OG1-N 2.69Å; T351-D353 VanDerWaalsContact OG1-N 3.12Å; D353-M355 PolarHBondContact O-N 3.47Å; D353-M355 WeakPolarHBondContact OD1-CB 3.39Å; D353-M355 PolarHBondContact OD1-N 3.11Å; D353-Y356 HydrophobicContact CB-CD2 3.97Å; D353-Y356 HydrophobicContact CB-CE2 3.9Å; D353-Y356 PolarHBondContact O-N 3.05Å
354P97.9Very high98Very high72 Ų7238.5 Ų38.547%0.46819%0.19SC..THydrogen-bonded Turntrans-63.8-17.9-179.127-35.7000113.7K352 Y356 Q357 E358K352-P354 WeakPolarHBondContact O-CD 3.35Å; P354-Y356 PolarHBondContact O-N 3.4Å; P354-Y356 VanDerWaalsContact O-N 3.15Å; P354-Q357 WeakPolarHBondContact O-CB 3.36Å; P354-Q357 PolarHBondContact O-N 2.68Å; P354-E358 PolarHBondContact O-N 3.33Å
355M98.4Very high98Very high42 Ų4242.1 Ų42.121%0.20721%0.208CC..Hα-helixtrans-52.4-37.7176.5-179.2-175.965.300112.4D353 Q357 E358 W359D353-M355 PolarHBondContact O-N 3.47Å; D353-M355 WeakPolarHBondContact OD1-CB 3.39Å; D353-M355 PolarHBondContact OD1-N 3.11Å; M355-Q357 PolarHBondContact O-N 3.02Å; M355-E358 PolarHBondContact O-N 2.9Å; M355-W359 HydrophobicContact CE-CH2 3.57Å; M355-W359 HydrophobicContact CE-CZ2 3.87Å; M355-W359 HydrophobicContact CE-CZ3 3.94Å; M355-W359 HydrophobicContact CG-CD2 4.01Å; M355-W359 VanDerWaalsContact CG-CE2 3.48Å; M355-W359 HydrophobicContact CG-CH2 4.27Å; M355-W359 HydrophobicContact CG-CZ2 3.65Å; M355-W359 VanDerWaalsContact O-CG 3.24Å; M355-W359 PolarHBondContact O-N 3.33Å; M355-W359 HydrophobicContact SD-CH2 3.67Å; M355-W359 HydrophobicContact SD-CZ2 3.3Å; M355-W359 WeakPolarHBondContact SD-CZ2 3.48Å; M355-W359 HydrophobicContact SD-CZ3 4.46Å
356Y98.6Very high98.1Very high3 Ų342.5 Ų42.51%0.01221%0.211CC..Hα-helixtrans-69.7-31.7179.2-63.1-61.9000113.1T297 Y344 L347 W348 D353 P354 W359 A360 I409T297-Y356 HydrophobicContact CG2-CE1 4.16Å; Y344-Y356 HydrophobicContact CD1-CD1 4.06Å; L347-Y356 HydrophobicContact CB-CD1 4.06Å; L347-Y356 HydrophobicContact CB-CD2 3.89Å; L347-Y356 HydrophobicContact CB-CE1 3.81Å; L347-Y356 HydrophobicContact CB-CE2 3.63Å; L347-Y356 HydrophobicContact CB-CG 4.11Å; L347-Y356 HydrophobicContact CD1-CD1 4.43Å; L347-Y356 HydrophobicContact CD1-CE1 3.66Å; L347-Y356 HydrophobicContact CG-CE1 4.31Å; W348-Y356 HydrophobicContact CB-CD2 4.42Å; D353-Y356 HydrophobicContact CB-CD2 3.97Å; D353-Y356 HydrophobicContact CB-CE2 3.9Å; D353-Y356 PolarHBondContact O-N 3.05Å; P354-Y356 PolarHBondContact O-N 3.4Å; P354-Y356 VanDerWaalsContact O-N 3.15Å; Y356-W359 AromaticContact CD1-CE3 3.95Å; Y356-W359 HydrophobicContact CD1-CE3 3.95Å; Y356-W359 HydrophobicContact CD1-CZ3 4.14Å; Y356-W359 HydrophobicContact CE1-CE3 4.21Å; Y356-W359 AromaticContact CE1-CZ3 3.9Å; Y356-W359 HydrophobicContact CE1-CZ3 3.9Å; Y356-A360 WeakPolarHBondContact O-CB 3.37Å; Y356-A360 PolarHBondContact O-N 2.9Å; Y356-I409 WeakPolarHBondContact O-CD1 3.38Å
357Q98.5Very high98.1Very high49 Ų4942.4 Ų42.423%0.22921%0.211CC..Hα-helixtrans-69.6-41172-75.8176.9-48.200110.9W348 P354 M355 A360 W361 I409 F410W348-Q357 HydrophobicContact CD2-CG 4.39Å; W348-Q357 HydrophobicContact CG-CG 4.14Å; P354-Q357 WeakPolarHBondContact O-CB 3.36Å; P354-Q357 PolarHBondContact O-N 2.68Å; M355-Q357 PolarHBondContact O-N 3.02Å; Q357-A360 PolarHBondContact O-N 3.43Å; Q357-W361 PolarHBondContact O-N 2.77Å; Q357-I409 HydrophobicContact CG-CD1 4.34Å; Q357-I409 HydrophobicContact CG-CG1 3.95Å; Q357-I409 PolarHBondContact NE2-O 3.32Å; Q357-F410 HydrophobicContact CB-CD1 4.41Å; Q357-F410 HydrophobicContact CB-CE1 3.81Å; Q357-F410 HydrophobicContact CB-CZ 4.43Å; Q357-F410 HydrophobicContact CG-CD1 4.35Å; Q357-F410 HydrophobicContact CG-CE1 4.21Å; Q357-F410 VanDerWaalsContact O-CZ 3.29Å; Q357-F410 WeakPolarHBondContact O-CZ 3.31Å
358E98.7Very high98.1Very high122 Ų12245.1 Ų45.157%0.5722%0.223SC*.Hα-helixtrans-60.7-46.8175-66.2175.3-170.200111.3P354 M355 A360 W361 D362P354-E358 PolarHBondContact O-N 3.33Å; M355-E358 PolarHBondContact O-N 2.9Å; E358-A360 VanDerWaalsContact C-N 3.35Å; E358-A360 PolarHBondContact O-N 3.07Å; E358-W361 WeakPolarHBondContact O-CB 3.36Å; E358-W361 PolarHBondContact O-N 2.94Å; E358-D362 PolarHBondContact O-N 3.04Å
359W98.7Very high98.1Very high31 Ų3151.4 Ų51.412%0.11725%0.251CS..Hα-helixtrans-64.4-37.5177.2-66.7-5.1000113.2T297 R298 H301 Y344 M355 Y356 D362 A363T297-W359 HydrophobicContact CG2-CZ3 4.5Å; R298-W359 HydrophobicContact CB-CH2 4.3Å; R298-W359 HydrophobicContact CG-CH2 4.47Å; H301-W359 HydrophobicContact CB-CD2 4.23Å; H301-W359 HydrophobicContact CB-CE3 3.9Å; H301-W359 HydrophobicContact CB-CH2 4.22Å; H301-W359 HydrophobicContact CB-CZ3 3.89Å; H301-W359 AromaticContact CD2-CD2 3.91Å; H301-W359 AromaticContact CD2-CE2 3.53Å; H301-W359 AromaticContact CD2-CZ2 3.68Å; H301-W359 AromaticContact CD2-NE1 3.85Å; H301-W359 AromaticContact CE1-CD1 3.22Å; H301-W359 AromaticContact CE1-CD2 3.65Å; H301-W359 AromaticContact CE1-CE2 3.72Å; H301-W359 AromaticContact CE1-CG 3.31Å; H301-W359 AromaticContact CE1-NE1 3.47Å; H301-W359 PolarHBondContact CE1-NE1 3.13Å; H301-W359 AromaticContact CG-CD2 3.6Å; H301-W359 AromaticContact CG-CE2 3.73Å; H301-W359 AromaticContact CG-CE3 3.8Å; H301-W359 AromaticContact ND1-CD1 3.79Å; H301-W359 AromaticContact ND1-CD2 3.44Å; H301-W359 AromaticContact ND1-CE2 3.85Å; H301-W359 AromaticContact ND1-CE3 3.91Å; H301-W359 AromaticContact ND1-CG 3.38Å; H301-W359 AromaticContact NE2-CD1 3.59Å; H301-W359 AromaticContact NE2-CD2 3.94Å; H301-W359 AromaticContact NE2-CE2 3.53Å; H301-W359 AromaticContact NE2-CG 3.95Å; H301-W359 AromaticContact NE2-NE1 3.32Å; H301-W359 PolarHBondContact NE2-NE1 2.85Å; Y344-W359 HydrophobicContact CD1-CE3 4.01Å; Y344-W359 HydrophobicContact CD2-CB 4.09Å; Y344-W359 HydrophobicContact CE1-CB 4.27Å; Y344-W359 HydrophobicContact CE1-CD2 4.42Å; Y344-W359 AromaticContact CE1-CE3 3.52Å; Y344-W359 HydrophobicContact CE1-CE3 3.52Å; Y344-W359 HydrophobicContact CE1-CZ3 4.22Å; Y344-W359 HydrophobicContact CE2-CB 3.7Å; M355-W359 HydrophobicContact CE-CH2 3.57Å; M355-W359 HydrophobicContact CE-CZ2 3.87Å; M355-W359 HydrophobicContact CE-CZ3 3.94Å; M355-W359 HydrophobicContact CG-CD2 4.01Å; M355-W359 VanDerWaalsContact CG-CE2 3.48Å; M355-W359 HydrophobicContact CG-CH2 4.27Å; M355-W359 HydrophobicContact CG-CZ2 3.65Å; M355-W359 VanDerWaalsContact O-CG 3.24Å; M355-W359 PolarHBondContact O-N 3.33Å; M355-W359 HydrophobicContact SD-CH2 3.67Å; M355-W359 HydrophobicContact SD-CZ2 3.3Å; M355-W359 WeakPolarHBondContact SD-CZ2 3.48Å; M355-W359 HydrophobicContact SD-CZ3 4.46Å; Y356-W359 AromaticContact CD1-CE3 3.95Å; Y356-W359 HydrophobicContact CD1-CE3 3.95Å; Y356-W359 HydrophobicContact CD1-CZ3 4.14Å; Y356-W359 HydrophobicContact CE1-CE3 4.21Å; Y356-W359 AromaticContact CE1-CZ3 3.9Å; Y356-W359 HydrophobicContact CE1-CZ3 3.9Å; W359-D362 PolarHBondContact O-N 2.91Å; W359-A363 PolarHBondContact O-N 2.81Å; W359-A363 VanDerWaalsContact O-N 3.09Å
360A98.7Very high98.2Very high0 Ų051.7 Ų51.70%025%0.253CS..Hα-helixtrans-65.9-39173.600000111.7L341 Y344 Y356 Q357 E358 A363 A364 L406 I409 F410L341-A360 HydrophobicContact CD2-CB 3.94Å; Y344-A360 HydrophobicContact CD2-CB 4.07Å; Y356-A360 WeakPolarHBondContact O-CB 3.37Å; Y356-A360 PolarHBondContact O-N 2.9Å; Q357-A360 PolarHBondContact O-N 3.43Å; E358-A360 VanDerWaalsContact C-N 3.35Å; E358-A360 PolarHBondContact O-N 3.07Å; A360-A363 PolarHBondContact O-N 3.33Å; A360-A364 WeakPolarHBondContact O-CB 3.48Å; A360-A364 PolarHBondContact O-N 3.06Å; A360-L406 HydrophobicContact CB-CD2 4.2Å; A360-L406 WeakPolarHBondContact O-CD2 3.48Å; A360-I409 HydrophobicContact CB-CD1 3.77Å; A360-I409 HydrophobicContact CB-CG2 3.98Å; A360-F410 HydrophobicContact CB-CE2 4.5Å; A360-F410 HydrophobicContact CB-CZ 4.45Å
361W98.7Very high98.4Very high138 Ų13850.2 Ų50.252%0.52324%0.24SC..Hα-helixtrans-63.5-44.4174.9-173.3-108.8000111.9Q357 E358 A363 A364 M365 F410Q357-W361 PolarHBondContact O-N 2.77Å; E358-W361 WeakPolarHBondContact O-CB 3.36Å; E358-W361 PolarHBondContact O-N 2.94Å; W361-A363 VanDerWaalsContact C-N 3.33Å; W361-A363 PolarHBondContact O-N 2.79Å; W361-A364 WeakPolarHBondContact O-CB 3.44Å; W361-A364 PolarHBondContact O-N 2.91Å; W361-A364 VanDerWaalsContact O-N 3.14Å; W361-M365 HydrophobicContact CD2-CE 4.3Å; W361-M365 HydrophobicContact CD2-CG 4.46Å; W361-M365 HydrophobicContact CE3-CE 4.34Å; W361-M365 HydrophobicContact CH2-CE 3.6Å; W361-M365 HydrophobicContact CH2-SD 4.42Å; W361-M365 HydrophobicContact CZ2-CE 3.52Å; W361-M365 HydrophobicContact CZ2-CG 4.36Å; W361-M365 HydrophobicContact CZ2-SD 3.76Å; W361-M365 HydrophobicContact CZ3-CE 4.02Å; W361-M365 WeakPolarHBondContact O-CG 3.26Å; W361-M365 PolarHBondContact O-N 3.16Å; W361-F410 HydrophobicContact CB-CZ 3.95Å; W361-F410 HydrophobicContact CE3-CE2 4.29Å; W361-F410 HydrophobicContact CE3-CZ 4.16Å
362D98.5Very high98.5Very high69 Ų6952.6 Ų52.637%0.36925%0.247SC..Hα-helixtrans-57.6-46.2175.6-81.1-9000111.6E358 W359 M365 A366E358-D362 PolarHBondContact O-N 3.04Å; W359-D362 PolarHBondContact O-N 2.91Å; D362-M365 PolarHBondContact O-N 2.69Å; D362-A366 WeakPolarHBondContact O-CB 3.28Å; D362-A366 PolarHBondContact O-N 2.93Å
363A98.5Very high98.6Very high2 Ų247.9 Ų47.92%0.01723%0.229CC..Hα-helixtrans-63.2-40.6175.200000112.1Y304 L341 W359 A360 W361 M365 A366 I367Y304-A363 HydrophobicContact CD1-CB 4.28Å; Y304-A363 HydrophobicContact CE1-CB 4.24Å; L341-A363 HydrophobicContact CD2-CB 4.02Å; W359-A363 PolarHBondContact O-N 2.81Å; W359-A363 VanDerWaalsContact O-N 3.09Å; A360-A363 PolarHBondContact O-N 3.33Å; W361-A363 VanDerWaalsContact C-N 3.33Å; W361-A363 PolarHBondContact O-N 2.79Å; A363-M365 PolarHBondContact O-N 2.8Å; A363-A366 WeakPolarHBondContact O-CB 3.24Å; A363-A366 PolarHBondContact O-N 3.41Å; A363-I367 VanDerWaalsContact O-CG1 3.28Å; A363-I367 WeakPolarHBondContact O-CG1 3.04Å; A363-I367 PolarHBondContact O-N 3.19Å
364A98.7Very high98.6Very high5 Ų547.7 Ų47.74%0.04124%0.236CC..Hα-helixtrans-61.8-42.7176.100000112.2M1 A360 W361 I367 E368 L406M1-A364 HydrophobicContact SD-CB 4.43Å; A360-A364 WeakPolarHBondContact O-CB 3.48Å; A360-A364 PolarHBondContact O-N 3.06Å; W361-A364 WeakPolarHBondContact O-CB 3.44Å; W361-A364 PolarHBondContact O-N 2.91Å; W361-A364 VanDerWaalsContact O-N 3.14Å; A364-I367 PolarHBondContact O-N 3.3Å; A364-E368 WeakPolarHBondContact O-CB 3.49Å; A364-E368 PolarHBondContact O-N 3.4Å; A364-L406 HydrophobicContact CB-CD1 4.07Å; A364-L406 HydrophobicContact CB-CD2 3.81Å
365M98.7Very high98.6Very high78 Ų7844.5 Ų44.538%0.38422%0.216SC..Hα-helixtrans-66.8-37.4176.6-67.2-5895.300111.9W361 D362 A363 E368 K369W361-M365 HydrophobicContact CD2-CE 4.3Å; W361-M365 HydrophobicContact CD2-CG 4.46Å; W361-M365 HydrophobicContact CE3-CE 4.34Å; W361-M365 HydrophobicContact CH2-CE 3.6Å; W361-M365 HydrophobicContact CH2-SD 4.42Å; W361-M365 HydrophobicContact CZ2-CE 3.52Å; W361-M365 HydrophobicContact CZ2-CG 4.36Å; W361-M365 HydrophobicContact CZ2-SD 3.76Å; W361-M365 HydrophobicContact CZ3-CE 4.02Å; W361-M365 WeakPolarHBondContact O-CG 3.26Å; W361-M365 PolarHBondContact O-N 3.16Å; D362-M365 PolarHBondContact O-N 2.69Å; A363-M365 PolarHBondContact O-N 2.8Å; M365-E368 PolarHBondContact O-N 3.18Å; M365-K369 VanDerWaalsContact O-CB 3.32Å; M365-K369 WeakPolarHBondContact O-CB 3.5Å; M365-K369 PolarHBondContact O-N 2.9Å
366A98.7Very high98.6Very high7 Ų742.5 Ų42.56%0.05821%0.206CC..Hα-helixtrans-63.3-45173.800000112.2T309 R310 L311 D362 A363 K369 H370T309-A366 WeakPolarHBondContact O-CB 3.33Å; R310-A366 HydrophobicContact CB-CB 4.01Å; L311-A366 HydrophobicContact CD2-CB 3.69Å; L311-A366 HydrophobicContact CG-CB 3.87Å; D362-A366 WeakPolarHBondContact O-CB 3.28Å; D362-A366 PolarHBondContact O-N 2.93Å; A363-A366 WeakPolarHBondContact O-CB 3.24Å; A363-A366 PolarHBondContact O-N 3.41Å; A366-K369 PolarHBondContact O-N 2.66Å; A366-H370 WeakPolarHBondContact O-CB 3.49Å; A366-H370 PolarHBondContact O-CD2 3.04Å; A366-H370 PolarHBondContact O-N 2.72Å
367I98.8Very high98.6Very high0 Ų042.4 Ų42.40%021%0.206CC..Hα-helixtrans-60.7-47.9173.4-65.8166.9000110.3M1 L311 Y334 L336 L341 A363 A364 K369 C371 K372 Y377 F398 T402 L406M1-I367 HydrophobicContact CE-CB 3.86Å; M1-I367 HydrophobicContact CE-CG2 3.41Å; M1-I367 VanDerWaalsContact CE-CG2 3.41Å; L311-I367 HydrophobicContact CD2-CG1 3.79Å; Y334-I367 HydrophobicContact CE1-CG1 4.18Å; L336-I367 HydrophobicContact CD2-CG2 4.36Å; L341-I367 HydrophobicContact CD1-CD1 4.46Å; A363-I367 VanDerWaalsContact O-CG1 3.28Å; A363-I367 WeakPolarHBondContact O-CG1 3.04Å; A363-I367 PolarHBondContact O-N 3.19Å; A364-I367 PolarHBondContact O-N 3.3Å; I367-K369 VanDerWaalsContact C-N 3.26Å; I367-K369 PolarHBondContact O-N 3.12Å; I367-C371 HydrophobicContact CG2-CB 3.97Å; I367-C371 WeakPolarHBondContact O-CA 3.45Å; I367-C371 WeakPolarHBondContact O-CB 3.36Å; I367-C371 PolarHBondContact O-N 3.49Å; I367-K372 PolarHBondContact O-N 3.1Å; I367-Y377 HydrophobicContact CG2-CD1 3.84Å; I367-Y377 HydrophobicContact CG2-CE1 4.26Å; I367-F398 HydrophobicContact CG2-CE2 3.92Å; I367-F398 HydrophobicContact CG2-CZ 4.05Å; I367-T402 HydrophobicContact CD1-CG2 4.04Å; I367-L406 HydrophobicContact CD1-CD1 4.45Å
368E98.6Very high98.6Very high57 Ų5740.1 Ų40.127%0.26620%0.195SC..Hα-helixtrans-59.2-38.1179.5-176.865.6-17100112.4M1 A364 M365 K372 Y377M1-E368 HydrophobicContact CE-CB 4.49Å; A364-E368 WeakPolarHBondContact O-CB 3.49Å; A364-E368 PolarHBondContact O-N 3.4Å; M365-E368 PolarHBondContact O-N 3.18Å; E368-K372 WeakPolarHBondContact O-CB 3.27Å; E368-K372 WeakPolarHBondContact OE1-CD 3.4Å; E368-K372 WeakPolarHBondContact OE1-CE 3.45Å; E368-K372 IonicContact OE1-NZ 2.66Å; E368-K372 PolarHBondContact OE1-NZ 2.79Å; E368-Y377 VanDerWaalsContact OE2-CE1 3.28Å; E368-Y377 WeakPolarHBondContact OE2-CE1 3.13Å; E368-Y377 VanDerWaalsContact OE2-CZ 3.3Å; E368-Y377 PolarHBondContact OE2-OH 3.12Å
369K98.5Very high98.6Very high148 Ų14834.3 Ų34.364%0.64317%0.168SC*.Hα-helixtrans-77-45.5-178.9-178.8179.5169-153.50113.2M365 A366 I367M365-K369 VanDerWaalsContact O-CB 3.32Å; M365-K369 WeakPolarHBondContact O-CB 3.5Å; M365-K369 PolarHBondContact O-N 2.9Å; A366-K369 PolarHBondContact O-N 2.66Å; I367-K369 VanDerWaalsContact C-N 3.26Å; I367-K369 PolarHBondContact O-N 3.12Å
370H98.6Very high98.6Very high16 Ų1632.9 Ų32.97%0.07416%0.162CC..Hα-helixtrans-104.3-23.5-166.9-64.4-74.7000114.1T309 L311 A366 I380 D386 P388 L390T309-H370 PolarHBondContact O-CD2 2.87Å; L311-H370 HydrophobicContact CD1-CB 4.3Å; A366-H370 WeakPolarHBondContact O-CB 3.49Å; A366-H370 PolarHBondContact O-CD2 3.04Å; A366-H370 PolarHBondContact O-N 2.72Å; H370-I380 WeakPolarHBondContact O-CG2 3.47Å; H370-D386 PolarHBondContact CE1-O 2.88Å; H370-D386 PolarHBondContact ND1-O 3.33Å; H370-P388 HydrophobicContact CB-CG 4.34Å; H370-L390 VanDerWaalsContact O-CD2 3.28Å; H370-L390 WeakPolarHBondContact O-CD2 3.49Å
371C98.8Very high98.5Very high0 Ų037.4 Ų37.40%018%0.182CC..THydrogen-bonded Turntrans-104.1-16.6-175.4-64.50000113.4L336 I367 A373 Y377 S378L336-C371 HydrophobicContact CD2-CB 3.76Å; I367-C371 HydrophobicContact CG2-CB 3.97Å; I367-C371 WeakPolarHBondContact O-CA 3.45Å; I367-C371 WeakPolarHBondContact O-CB 3.36Å; I367-C371 PolarHBondContact O-N 3.49Å; C371-A373 PolarHBondContact O-N 2.97Å; C371-Y377 HydrophobicContact CB-CD1 4.29Å; C371-Y377 CarbonylContact O-C 3.59Å; C371-Y377 VanDerWaalsContact O-CA 3.27Å; C371-Y377 WeakPolarHBondContact O-CA 3.18Å; C371-S378 WeakPolarHBondContact CA-O 3.34Å; C371-S378 WeakPolarHBondContact CB-O 3.25Å; C371-S378 PolarHBondContact O-N 3.45Å; C371-S378 PolarHBondContact SG-O 2.8Å
372K98.6Very high98.5Very high93 Ų9332.8 Ų32.840%0.40417%0.168SC..EExtended strand (participates in β ladder)trans-65.7126-176.8-170.4178.6-169.7170.70111.4F4 I367 E368 Y377F4-K372 HydrophobicContact CE1-CD 4.45Å; F4-K372 HydrophobicContact CE1-CG 3.85Å; I367-K372 PolarHBondContact O-N 3.1Å; E368-K372 WeakPolarHBondContact O-CB 3.27Å; E368-K372 WeakPolarHBondContact OE1-CD 3.4Å; E368-K372 WeakPolarHBondContact OE1-CE 3.45Å; E368-K372 IonicContact OE1-NZ 2.66Å; E368-K372 PolarHBondContact OE1-NZ 2.79Å; K372-Y377 HydrophobicContact CB-CD1 4.09Å; K372-Y377 HydrophobicContact CB-CE1 3.88Å; K372-Y377 HydrophobicContact CG-CE1 4.12Å
373A98.5Very high98.4Very high14 Ų1429.5 Ų29.512%0.11615%0.15CC..EExtended strand (participates in β ladder)trans-116.2-173.8178.400000111F4 P21 V22 C371 A375 G376 L390F4-A373 WeakPolarHBondContact CE1-O 3.28Å; F4-A373 VanDerWaalsContact CZ-O 3.3Å; F4-A373 WeakPolarHBondContact CZ-O 3.39Å; P21-A373 HydrophobicContact CB-CB 3.86Å; P21-A373 HydrophobicContact CG-CB 3.94Å; V22-A373 HydrophobicContact CG2-CB 3.85Å; C371-A373 PolarHBondContact O-N 2.97Å; A373-A375 VanDerWaalsContact C-N 3.34Å; A373-A375 PolarHBondContact O-N 3.21Å; A373-G376 WeakPolarHBondContact CA-O 2.98Å; A373-G376 PolarHBondContact N-O 2.77Å; A373-L390 HydrophobicContact CB-CD1 3.94Å
374A97.9Very high98.3Very high55 Ų5532.3 Ų32.346%0.45516%0.161SC..THydrogen-bonded Turntrans-71.8-24.4-173.400000114.2P21P21-A374 PolarHBondContact O-N 3.24Å
375A98Very high98.3Very high5 Ų534.9 Ų34.94%0.04118%0.176CC..THydrogen-bonded Turntrans-139.735.1-178.600000112.6G8 N12 P21 R24 A373G8-A375 CarbonylContact C-O 3.51Å; G8-A375 VanDerWaalsContact CA-O 3.23Å; G8-A375 WeakPolarHBondContact CA-O 3.32Å; N12-A375 WeakPolarHBondContact ND2-CB 3.3Å; P21-A375 PolarHBondContact O-N 2.99Å; R24-A375 HydrophobicContact CG-CB 3.84Å; A373-A375 VanDerWaalsContact C-N 3.34Å; A373-A375 PolarHBondContact O-N 3.21Å
376G98.7Very high98.1Very high0 Ų036.1 Ų36.10%018%0.184CC..EExtended strand (participates in β ladder)trans146.1-149.6179.500000112.2F4 A373 Q394F4-G376 WeakPolarHBondContact CE1-O 3.43Å; A373-G376 WeakPolarHBondContact CA-O 2.98Å; A373-G376 PolarHBondContact N-O 2.77Å; G376-Q394 VanDerWaalsContact CA-OE1 3.27Å
377Y98.8Very high98Very high2 Ų243.1 Ų43.11%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-124.6138.6178.9-63.3-101.7000109.7M1 F4 A5 L336 I367 E368 C371 K372 Q394 F398M1-Y377 VanDerWaalsContact CA-OH 3.28Å; M1-Y377 WeakPolarHBondContact CA-OH 3.31Å; M1-Y377 HydrophobicContact CB-CE2 4.17Å; M1-Y377 WeakPolarHBondContact CB-OH 3.1Å; M1-Y377 HydrophobicContact CE-CD1 4.39Å; M1-Y377 HydrophobicContact CE-CE1 3.76Å; M1-Y377 WeakPolarHBondContact CG-OH 3.27Å; F4-Y377 HydrophobicContact CD1-CD2 4.35Å; F4-Y377 AromaticContact CD1-CE2 3.71Å; F4-Y377 HydrophobicContact CD1-CE2 3.71Å; A5-Y377 HydrophobicContact CB-CD2 3.87Å; A5-Y377 HydrophobicContact CB-CE2 4.1Å; L336-Y377 WeakPolarHBondContact CD1-O 3.29Å; I367-Y377 HydrophobicContact CG2-CD1 3.84Å; I367-Y377 HydrophobicContact CG2-CE1 4.26Å; E368-Y377 VanDerWaalsContact OE2-CE1 3.28Å; E368-Y377 WeakPolarHBondContact OE2-CE1 3.13Å; E368-Y377 VanDerWaalsContact OE2-CZ 3.3Å; E368-Y377 PolarHBondContact OE2-OH 3.12Å; C371-Y377 HydrophobicContact CB-CD1 4.29Å; C371-Y377 CarbonylContact O-C 3.59Å; C371-Y377 VanDerWaalsContact O-CA 3.27Å; C371-Y377 WeakPolarHBondContact O-CA 3.18Å; K372-Y377 HydrophobicContact CB-CD1 4.09Å; K372-Y377 HydrophobicContact CB-CE1 3.88Å; K372-Y377 HydrophobicContact CG-CE1 4.12Å; Y377-Q394 WeakPolarHBondContact O-CA 3.14Å; Y377-Q394 WeakPolarHBondContact O-CB 3.29Å; Y377-Q394 VanDerWaalsContact O-CG 3.27Å; Y377-Q394 WeakPolarHBondContact O-CG 3.32Å; Y377-F398 HydrophobicContact CD1-CE1 4.37Å; Y377-F398 HydrophobicContact CD1-CZ 4.03Å; Y377-F398 HydrophobicContact CD2-CD1 4.32Å; Y377-F398 AromaticContact CD2-CE1 3.27Å; Y377-F398 HydrophobicContact CD2-CE1 3.27Å; Y377-F398 AromaticContact CD2-CZ 3.71Å; Y377-F398 HydrophobicContact CD2-CZ 3.71Å; Y377-F398 HydrophobicContact CE2-CE1 4.02Å; Y377-F398 HydrophobicContact CE2-CZ 4.26Å; Y377-F398 HydrophobicContact CG-CD1 4.45Å; Y377-F398 AromaticContact CG-CE1 3.47Å; Y377-F398 HydrophobicContact CG-CE1 3.47Å; Y377-F398 VanDerWaalsContact CG-CE1 3.47Å; Y377-F398 AromaticContact CG-CZ 3.56Å; Y377-F398 HydrophobicContact CG-CZ 3.56Å
378S98.6Very high98Very high0 Ų044 Ų440%023%0.226CC..  trans-113.5152-179.5-159.10000110.2C371 D391 D392 V393C371-S378 WeakPolarHBondContact CA-O 3.34Å; C371-S378 WeakPolarHBondContact CB-O 3.25Å; C371-S378 PolarHBondContact O-N 3.45Å; C371-S378 PolarHBondContact SG-O 2.8Å; S378-D391 PolarHBondContact OG-OD1 3.35Å; S378-D392 WeakPolarHBondContact OG-CA 3.38Å; S378-D392 PolarHBondContact OG-N 3.13Å; S378-V393 WeakPolarHBondContact CA-O 3.45Å; S378-V393 PolarHBondContact OG-N 2.81Å; S378-V393 VanDerWaalsContact OG-N 3.15Å
379G98.4Very high97.9Very high1 Ų147.2 Ų47.21%0.0124%0.241CC..  trans-60.6164.4158.500000112Y334 L390 D391 V393Y334-G379 CarbonylContact O-C 3.54Å; Y334-G379 WeakPolarHBondContact O-CA 3.34Å; G379-L390 WeakPolarHBondContact O-CA 3.15Å; G379-D391 VanDerWaalsContact CA-CG 3.48Å; G379-D391 VanDerWaalsContact CA-OD1 3.25Å; G379-D391 WeakPolarHBondContact CA-OD1 3.17Å; G379-D391 WeakPolarHBondContact CA-OD2 3.32Å; G379-D391 PolarHBondContact N-OD1 2.02Å; G379-D391 PolarHBondContact O-N 2.93Å; G379-D391 VanDerWaalsContact O-OD1 3.05Å; G379-V393 PolarHBondContact N-O 2.91Å
380I98.5Very high97.9Very high0 Ų042.2 Ų42.20%022%0.221CC..BIsolated β-bridgetrans-119.7142177.455.7166.7000109.8T309 L311 Y333 Y334 H370 V383 P388 L390T309-I380 HydrophobicContact CG2-CD1 3.85Å; L311-I380 HydrophobicContact CD1-CD1 3.8Å; Y333-I380 CarbonylContact C-O 3.52Å; Y333-I380 WeakPolarHBondContact CA-O 3.23Å; Y333-I380 VanDerWaalsContact CB-O 3.27Å; Y333-I380 WeakPolarHBondContact CB-O 3.35Å; Y334-I380 HydrophobicContact CD1-CG1 4.37Å; Y334-I380 PolarHBondContact N-O 3.46Å; Y334-I380 PolarHBondContact O-N 3.41Å; H370-I380 WeakPolarHBondContact O-CG2 3.47Å; I380-V383 HydrophobicContact CD1-CG1 3.92Å; I380-V383 HydrophobicContact CG1-CG1 4.44Å; I380-P388 HydrophobicContact CB-CB 3.93Å; I380-P388 HydrophobicContact CB-CG 3.92Å; I380-P388 HydrophobicContact CD1-CB 4.34Å; I380-P388 HydrophobicContact CD1-CG 3.99Å; I380-P388 HydrophobicContact CG2-CB 4.21Å; I380-P388 HydrophobicContact CG2-CG 3.7Å; I380-L390 HydrophobicContact CG2-CD2 3.79Å
381K97.8Very high97.9Very high95 Ų9543.3 Ų43.341%0.41323%0.228SC..SBendtrans-77.9-22.1-174.7-62.4-172.6-169.7172.20114.4K332 Y333 E389 D391K332-K381 CarbonylContact C-O 3.52Å; Y333-K381 PolarHBondContact N-O 2.96Å; K381-E389 HydrophobicContact CD-CB 4.24Å; K381-E389 HydrophobicContact CD-CG 4.41Å; K381-E389 WeakPolarHBondContact CD-OE2 3.48Å; K381-E389 PolarHBondContact N-O 3.46Å; K381-E389 IonicContact NZ-OE1 3.81Å; K381-E389 PolarHBondContact NZ-OE1 3.19Å; K381-E389 IonicContact NZ-OE2 3.93Å; K381-E389 PolarHBondContact NZ-OE2 3.49Å; K381-D391 HydrophobicContact CG-CB 4.3Å
382N97.8Very high97.9Very high42 Ų4244.3 Ų44.323%0.22523%0.233CC..  trans-153.2110.1-176.2-174.8-2000112K332 Y384 V385 P388K332-N382 HydrophobicContact CB-CB 4.35Å; K332-N382 CarbonylContact O-C 3.53Å; K332-N382 VanDerWaalsContact O-CA 3.27Å; K332-N382 WeakPolarHBondContact O-CA 3.41Å; N382-Y384 PolarHBondContact O-N 3.44Å; N382-Y384 WeakPolarHBondContact OD1-CB 3.25Å; N382-Y384 WeakPolarHBondContact OD1-CD2 3.37Å; N382-Y384 PolarHBondContact OD1-N 3.35Å; N382-V385 HydrophobicContact CB-CG2 4.17Å; N382-V385 WeakPolarHBondContact O-CG2 3.1Å; N382-P388 WeakPolarHBondContact O-CB 3.33Å
383V97.6Very high97.8Very high0 Ų040.5 Ų40.50%022%0.218CC..THydrogen-bonded Turntrans-69.3-16.7178.8-62.40000114.3T307 A308 T309 L311 P313 K332 I380 V385T307-V383 WeakPolarHBondContact CB-O 3.42Å; T307-V383 HydrophobicContact CG2-CB 4.06Å; T307-V383 HydrophobicContact CG2-CG2 3.62Å; A308-V383 PolarHBondContact N-O 3.47Å; T309-V383 WeakPolarHBondContact CG2-O 3.31Å; T309-V383 PolarHBondContact N-O 2.86Å; T309-V383 WeakPolarHBondContact OG1-CA 3.16Å; T309-V383 PolarHBondContact OG1-O 3.21Å; T309-V383 VanDerWaalsContact OG1-O 3.08Å; L311-V383 HydrophobicContact CB-CG1 4.23Å; L311-V383 WeakPolarHBondContact O-CB 3.49Å; L311-V383 WeakPolarHBondContact O-CG1 3.44Å; P313-V383 HydrophobicContact CB-CG2 4Å; K332-V383 WeakPolarHBondContact O-CG1 3.27Å; K332-V383 WeakPolarHBondContact O-CG2 3.46Å; K332-V383 PolarHBondContact O-N 3.03Å; I380-V383 HydrophobicContact CD1-CG1 3.92Å; I380-V383 HydrophobicContact CG1-CG1 4.44Å; V383-V385 VanDerWaalsContact C-N 3.34Å; V383-V385 PolarHBondContact O-N 3.01Å
384Y96.9Very high97.8Very high60 Ų6039.9 Ų39.924%0.23521%0.212CC..THydrogen-bonded Turntrans-88.37.1-174-58.5-70.3000114.5T307 V325 T326 K332 N382T307-Y384 HydrophobicContact CG2-CD1 4.03Å; T307-Y384 HydrophobicContact CG2-CE1 3.68Å; V325-Y384 VanDerWaalsContact CA-OH 3.28Å; V325-Y384 WeakPolarHBondContact CA-OH 3.26Å; V325-Y384 HydrophobicContact CB-CE1 4.17Å; V325-Y384 WeakPolarHBondContact CB-OH 3.3Å; V325-Y384 HydrophobicContact CG1-CE1 3.94Å; T326-Y384 HydrophobicContact CG2-CE2 3.98Å; T326-Y384 PolarHBondContact N-OH 3.12Å; K332-Y384 HydrophobicContact CB-CD2 4.24Å; K332-Y384 HydrophobicContact CB-CE2 4.31Å; K332-Y384 HydrophobicContact CD-CD2 3.97Å; K332-Y384 HydrophobicContact CD-CE2 4.33Å; K332-Y384 HydrophobicContact CG-CD2 4Å; K332-Y384 HydrophobicContact CG-CE2 3.94Å; N382-Y384 PolarHBondContact O-N 3.44Å; N382-Y384 WeakPolarHBondContact OD1-CB 3.25Å; N382-Y384 WeakPolarHBondContact OD1-CD2 3.37Å; N382-Y384 PolarHBondContact OD1-N 3.35Å
385V96.9Very high97.7Very high59 Ų5939.3 Ų39.336%0.35820%0.2SC..SBendtrans-123.4142.8178.8-61.70000110.6T309 N382 V383 N387 P388T309-V385 WeakPolarHBondContact CG2-O 3.26Å; N382-V385 HydrophobicContact CB-CG2 4.17Å; N382-V385 WeakPolarHBondContact O-CG2 3.1Å; V383-V385 VanDerWaalsContact C-N 3.34Å; V383-V385 PolarHBondContact O-N 3.01Å; V385-N387 VanDerWaalsContact C-N 3.31Å; V385-N387 PolarHBondContact O-N 3.44Å; V385-P388 HydrophobicContact CG2-CB 3.92Å
386D95.6Very high97.7Very high104 Ų10439.1 Ų39.156%0.55620%0.199SC*.SBendtrans-63-35.3-174.9-64.9-62.3000113.7H370 P388H370-D386 PolarHBondContact CE1-O 2.88Å; H370-D386 PolarHBondContact ND1-O 3.33Å; D386-P388 WeakPolarHBondContact O-CD 3.46Å
387N96.8Very high97.7Very high155 Ų15539.8 Ų39.883%0.82920%0.201SC*.SBendtrans-121.276.5-179.3-60.4-69.2000109.1V385V385-N387 VanDerWaalsContact C-N 3.31Å; V385-N387 PolarHBondContact O-N 3.44Å
388P97.6Very high97.7Very high17 Ų1739.7 Ų39.711%0.1120%0.201CC..PPolyproline II helixtrans-71.3149.9-176.633.5-38.7000111.5T309 H370 I380 N382 V385 D386T309-P388 HydrophobicContact CG2-CB 4.46Å; T309-P388 HydrophobicContact CG2-CG 3.84Å; H370-P388 HydrophobicContact CB-CG 4.34Å; I380-P388 HydrophobicContact CB-CB 3.93Å; I380-P388 HydrophobicContact CB-CG 3.92Å; I380-P388 HydrophobicContact CD1-CB 4.34Å; I380-P388 HydrophobicContact CD1-CG 3.99Å; I380-P388 HydrophobicContact CG2-CB 4.21Å; I380-P388 HydrophobicContact CG2-CG 3.7Å; N382-P388 WeakPolarHBondContact O-CB 3.33Å; V385-P388 HydrophobicContact CG2-CB 3.92Å; D386-P388 WeakPolarHBondContact O-CD 3.46Å
389E98.2Very high97.7Very high126 Ų12639.7 Ų39.759%0.58920%0.201SC*.PPolyproline II helixtrans-70.6136.5168-162.8-166.7160.400109.7K381K381-E389 HydrophobicContact CD-CB 4.24Å; K381-E389 HydrophobicContact CD-CG 4.41Å; K381-E389 WeakPolarHBondContact CD-OE2 3.48Å; K381-E389 PolarHBondContact N-O 3.46Å; K381-E389 IonicContact NZ-OE1 3.81Å; K381-E389 PolarHBondContact NZ-OE1 3.19Å; K381-E389 IonicContact NZ-OE2 3.93Å; K381-E389 PolarHBondContact NZ-OE2 3.49Å
390L98.5Very high97.7Very high43 Ų4339.6 Ų39.623%0.22520%0.2CC..BIsolated β-bridgetrans-73.9145.6172.6-56.8-175.6000110.4V22 H370 A373 G379 I380 D392V22-L390 HydrophobicContact CG2-CB 3.98Å; V22-L390 HydrophobicContact CG2-CD1 3.51Å; V22-L390 HydrophobicContact CG2-CG 4.38Å; H370-L390 VanDerWaalsContact O-CD2 3.28Å; H370-L390 WeakPolarHBondContact O-CD2 3.49Å; A373-L390 HydrophobicContact CB-CD1 3.94Å; G379-L390 WeakPolarHBondContact O-CA 3.15Å; I380-L390 HydrophobicContact CG2-CD2 3.79Å; L390-D392 VanDerWaalsContact C-N 3.31Å
391D97.6Very high97.7Very high39 Ų3940 Ų4021%0.20920%0.202CC..  trans-84.4-5.8175.167.70.1000114.2S378 G379 K381 V393S378-D391 PolarHBondContact OG-OD1 3.35Å; G379-D391 VanDerWaalsContact CA-CG 3.48Å; G379-D391 VanDerWaalsContact CA-OD1 3.25Å; G379-D391 WeakPolarHBondContact CA-OD1 3.17Å; G379-D391 WeakPolarHBondContact CA-OD2 3.32Å; G379-D391 PolarHBondContact N-OD1 2.02Å; G379-D391 PolarHBondContact O-N 2.93Å; G379-D391 VanDerWaalsContact O-OD1 3.05Å; K381-D391 HydrophobicContact CG-CB 4.3Å; D391-V393 PolarHBondContact OD1-N 3.41Å
392D98.1Very high97.7Very high20 Ų2035.5 Ų35.511%0.10718%0.183CC..  trans55.144.7-176-166.127000114R20 P21 V22 T23 S378 L390R20-D392 WeakPolarHBondContact CA-O 3.42Å; R20-D392 WeakPolarHBondContact CA-OD1 3.45Å; R20-D392 WeakPolarHBondContact CB-O 3.5Å; R20-D392 WeakPolarHBondContact CB-OD1 3.22Å; R20-D392 WeakPolarHBondContact CB-OD2 2.93Å; R20-D392 VanDerWaalsContact CG-O 3.27Å; R20-D392 WeakPolarHBondContact CG-O 3.32Å; R20-D392 PolarHBondContact NH1-O 2.96Å; P21-D392 WeakPolarHBondContact CD-OD1 3.47Å; P21-D392 VanDerWaalsContact N-OD1 3.13Å; V22-D392 VanDerWaalsContact CA-OD1 3.31Å; V22-D392 WeakPolarHBondContact CA-OD1 3.29Å; V22-D392 HydrophobicContact CB-CB 4.14Å; V22-D392 WeakPolarHBondContact CB-OD1 3.31Å; V22-D392 HydrophobicContact CG2-CB 4.1Å; V22-D392 PolarHBondContact N-OD1 3.32Å; T23-D392 VanDerWaalsContact CB-OD2 3.25Å; T23-D392 WeakPolarHBondContact CB-OD2 3.45Å; T23-D392 WeakPolarHBondContact CG2-OD2 3.48Å; T23-D392 PolarHBondContact N-OD1 3.39Å; T23-D392 PolarHBondContact N-OD2 3.33Å; T23-D392 PolarHBondContact OG1-OD2 3.46Å; S378-D392 WeakPolarHBondContact OG-CA 3.38Å; S378-D392 PolarHBondContact OG-N 3.13Å; L390-D392 VanDerWaalsContact C-N 3.31Å
393V97.8Very high97.8Very high14 Ų1433.9 Ų33.99%0.08517%0.174CC..  trans-136.7122.3173.1-176.70000110.8S378 G379 D391 Q395S378-V393 WeakPolarHBondContact CA-O 3.45Å; S378-V393 PolarHBondContact OG-N 2.81Å; S378-V393 VanDerWaalsContact OG-N 3.15Å; G379-V393 PolarHBondContact N-O 2.91Å; D391-V393 PolarHBondContact OD1-N 3.41Å; V393-Q395 HydrophobicContact CG1-CG 4.29Å
394Q98.3Very high97.8Very high1 Ų133.9 Ų33.91%0.00517%0.174CC..BIsolated β-bridgetrans-99.3103.4163.8-170.8176.3-92.200108.6A5 V19 P21 G376 Y377 F398 L399A5-Q394 PolarHBondContact O-NE2 3.18Å; V19-Q394 HydrophobicContact CG1-CB 3.73Å; V19-Q394 HydrophobicContact CG1-CG 4.46Å; V19-Q394 PolarHBondContact O-N 3.14Å; P21-Q394 HydrophobicContact CG-CB 4.23Å; G376-Q394 VanDerWaalsContact CA-OE1 3.27Å; Y377-Q394 WeakPolarHBondContact O-CA 3.14Å; Y377-Q394 WeakPolarHBondContact O-CB 3.29Å; Y377-Q394 VanDerWaalsContact O-CG 3.27Å; Y377-Q394 WeakPolarHBondContact O-CG 3.32Å; Q394-F398 HydrophobicContact CG-CD1 4.21Å; Q394-L399 HydrophobicContact CG-CD1 4.23Å
395Q96.5Very high97.9Very high43 Ų4331 Ų3120%0.20116%0.163CC..  trans-64.1146.5175-60.5-81.7-11.400110.2E18 V393 F397 F398E18-Q395 WeakPolarHBondContact OE1-CA 3.34Å; E18-Q395 PolarHBondContact OE1-OE1 2.98Å; V393-Q395 HydrophobicContact CG1-CG 4.29Å; Q395-F397 VanDerWaalsContact C-N 3.26Å; Q395-F397 HydrophobicContact CB-CD1 3.7Å; Q395-F397 HydrophobicContact CB-CD2 3.96Å; Q395-F397 HydrophobicContact CB-CE1 3.4Å; Q395-F397 VanDerWaalsContact CB-CE1 3.4Å; Q395-F397 HydrophobicContact CB-CE2 3.66Å; Q395-F397 HydrophobicContact CB-CG 3.97Å; Q395-F397 HydrophobicContact CB-CZ 3.39Å; Q395-F397 HydrophobicContact CG-CD1 4.39Å; Q395-F397 HydrophobicContact CG-CE1 3.59Å; Q395-F397 HydrophobicContact CG-CE2 4Å; Q395-F397 HydrophobicContact CG-CZ 3.36Å; Q395-F397 PolarHBondContact O-N 3.29Å; Q395-F398 WeakPolarHBondContact O-CB 3.23Å; Q395-F398 PolarHBondContact O-N 2.9Å; Q395-F398 VanDerWaalsContact O-N 3.16Å
396S97.4Very high98Very high1 Ų128.9 Ų28.91%0.00715%0.149CC..Hα-helixtrans-60.7-38.1178.9640000112.2E18 L39 D43 R85 F398 L399 S400E18-S396 PolarHBondContact OE1-N 3.19Å; L39-S396 VanDerWaalsContact CD2-OG 3.23Å; L39-S396 WeakPolarHBondContact CD2-OG 3.3Å; D43-S396 VanDerWaalsContact OD2-CB 3.25Å; D43-S396 WeakPolarHBondContact OD2-CB 3.43Å; D43-S396 PolarHBondContact OD2-OG 2.81Å; R85-S396 PolarHBondContact NH1-OG 3.1Å; S396-F398 PolarHBondContact O-N 2.93Å; S396-F398 VanDerWaalsContact O-N 3.09Å; S396-L399 PolarHBondContact O-N 3.4Å; S396-S400 PolarHBondContact O-N 3.41Å
397F97.6Very high98.2Very high13 Ų1327.8 Ų27.86%0.05714%0.138CC..Hα-helixtrans-59.2-20.3177.458.1-110.8000114.8I335 L336 Q395 L399 S400 E401 T402I335-F397 HydrophobicContact CD1-CZ 4.11Å; I335-F397 HydrophobicContact CG1-CZ 4.29Å; I335-F397 WeakPolarHBondContact O-CE2 3.46Å; I335-F397 WeakPolarHBondContact O-CZ 3Å; L336-F397 HydrophobicContact CB-CE2 4.43Å; L336-F397 WeakPolarHBondContact O-CE2 3.44Å; Q395-F397 VanDerWaalsContact C-N 3.26Å; Q395-F397 HydrophobicContact CB-CD1 3.7Å; Q395-F397 HydrophobicContact CB-CD2 3.96Å; Q395-F397 HydrophobicContact CB-CE1 3.4Å; Q395-F397 VanDerWaalsContact CB-CE1 3.4Å; Q395-F397 HydrophobicContact CB-CE2 3.66Å; Q395-F397 HydrophobicContact CB-CG 3.97Å; Q395-F397 HydrophobicContact CB-CZ 3.39Å; Q395-F397 HydrophobicContact CG-CD1 4.39Å; Q395-F397 HydrophobicContact CG-CE1 3.59Å; Q395-F397 HydrophobicContact CG-CE2 4Å; Q395-F397 HydrophobicContact CG-CZ 3.36Å; Q395-F397 PolarHBondContact O-N 3.29Å; F397-L399 PolarHBondContact O-N 3.48Å; F397-S400 VanDerWaalsContact CA-OG 3.3Å; F397-S400 WeakPolarHBondContact CA-OG 3.4Å; F397-E401 HydrophobicContact CB-CB 4.42Å; F397-E401 HydrophobicContact CB-CG 4Å; F397-E401 WeakPolarHBondContact CB-OE1 3.21Å; F397-E401 WeakPolarHBondContact O-CA 3.49Å; F397-E401 VanDerWaalsContact O-CB 3.29Å; F397-E401 WeakPolarHBondContact O-CB 3.45Å; F397-E401 PolarHBondContact O-N 3.06Å; F397-T402 PolarHBondContact O-N 3.47Å; F397-T402 VanDerWaalsContact O-N 3.1Å
398F98.7Very high98.2Very high0 Ų020.4 Ų20.40%010%0.098CC..Iπ-helixtrans-60.4-40.9174.3177.5-116.6000111M1 A5 L336 I367 Y377 Q394 Q395 S396 T402 L403M1-F398 HydrophobicContact CE-CZ 4.27Å; A5-F398 HydrophobicContact CB-CD1 4.36Å; A5-F398 HydrophobicContact CB-CE1 4.04Å; L336-F398 HydrophobicContact CB-CB 3.98Å; L336-F398 HydrophobicContact CB-CD2 3.68Å; L336-F398 HydrophobicContact CB-CG 4.07Å; L336-F398 HydrophobicContact CD1-CB 3.86Å; L336-F398 HydrophobicContact CD1-CD1 4.22Å; L336-F398 HydrophobicContact CD1-CD2 3.99Å; L336-F398 HydrophobicContact CD1-CG 3.74Å; L336-F398 HydrophobicContact CD2-CD2 4.18Å; L336-F398 HydrophobicContact CD2-CE2 4.25Å; L336-F398 HydrophobicContact CG-CD2 4.18Å; L336-F398 HydrophobicContact CG-CG 4.4Å; I367-F398 HydrophobicContact CG2-CE2 3.92Å; I367-F398 HydrophobicContact CG2-CZ 4.05Å; Y377-F398 HydrophobicContact CD1-CE1 4.37Å; Y377-F398 HydrophobicContact CD1-CZ 4.03Å; Y377-F398 HydrophobicContact CD2-CD1 4.32Å; Y377-F398 AromaticContact CD2-CE1 3.27Å; Y377-F398 HydrophobicContact CD2-CE1 3.27Å; Y377-F398 AromaticContact CD2-CZ 3.71Å; Y377-F398 HydrophobicContact CD2-CZ 3.71Å; Y377-F398 HydrophobicContact CE2-CE1 4.02Å; Y377-F398 HydrophobicContact CE2-CZ 4.26Å; Y377-F398 HydrophobicContact CG-CD1 4.45Å; Y377-F398 AromaticContact CG-CE1 3.47Å; Y377-F398 HydrophobicContact CG-CE1 3.47Å; Y377-F398 VanDerWaalsContact CG-CE1 3.47Å; Y377-F398 AromaticContact CG-CZ 3.56Å; Y377-F398 HydrophobicContact CG-CZ 3.56Å; Q394-F398 HydrophobicContact CG-CD1 4.21Å; Q395-F398 WeakPolarHBondContact O-CB 3.23Å; Q395-F398 PolarHBondContact O-N 2.9Å; Q395-F398 VanDerWaalsContact O-N 3.16Å; S396-F398 PolarHBondContact O-N 2.93Å; S396-F398 VanDerWaalsContact O-N 3.09Å; F398-T402 HydrophobicContact CD2-CG2 3.77Å; F398-T402 HydrophobicContact CE2-CG2 3.91Å; F398-L403 HydrophobicContact CD1-CD1 4.07Å; F398-L403 HydrophobicContact CD1-CG 4.35Å; F398-L403 HydrophobicContact CD2-CG 4.3Å; F398-L403 HydrophobicContact CE1-CD1 3.56Å; F398-L403 HydrophobicContact CE1-CD2 4.27Å; F398-L403 HydrophobicContact CE1-CG 3.91Å; F398-L403 HydrophobicContact CE2-CD1 4.47Å; F398-L403 HydrophobicContact CE2-CD2 3.9Å; F398-L403 HydrophobicContact CE2-CG 3.91Å; F398-L403 HydrophobicContact CZ-CD1 3.82Å; F398-L403 HydrophobicContact CZ-CD2 3.64Å; F398-L403 HydrophobicContact CZ-CG 3.71Å; F398-L403 WeakPolarHBondContact O-CB 3.5Å; F398-L403 VanDerWaalsContact O-CG 3.22Å; F398-L403 WeakPolarHBondContact O-CG 3.4Å; F398-L403 PolarHBondContact O-N 3.31Å
399L98.8Very high98.3Very high0 Ų019.6 Ų19.60%09%0.093CC..Iπ-helixtrans-83.4-39.1177.9-7684.9000112.3F2 A5 W6 T40 A44 T47 Q394 S396 F397F2-L399 HydrophobicContact CD2-CB 4.27Å; F2-L399 HydrophobicContact CD2-CD2 4.35Å; F2-L399 HydrophobicContact CD2-CG 4.31Å; F2-L399 HydrophobicContact CE2-CB 3.82Å; F2-L399 HydrophobicContact CE2-CD2 3.96Å; F2-L399 HydrophobicContact CE2-CG 4.14Å; F2-L399 HydrophobicContact CZ-CD2 4.08Å; A5-L399 HydrophobicContact CB-CD1 3.99Å; A5-L399 HydrophobicContact CB-CD2 4.35Å; A5-L399 HydrophobicContact CB-CG 4.16Å; W6-L399 HydrophobicContact CB-CD2 3.89Å; W6-L399 HydrophobicContact CE3-CD2 3.88Å; T40-L399 HydrophobicContact CG2-CD2 4.46Å; A44-L399 HydrophobicContact CB-CB 3.44Å; A44-L399 VanDerWaalsContact CB-CB 3.44Å; A44-L399 HydrophobicContact CB-CD2 4.11Å; A44-L399 HydrophobicContact CB-CG 4.42Å; T47-L399 WeakPolarHBondContact CG2-O 3.28Å; T47-L399 PolarHBondContact OG1-O 3.05Å; T47-L399 VanDerWaalsContact OG1-O 3.08Å; Q394-L399 HydrophobicContact CG-CD1 4.23Å; S396-L399 PolarHBondContact O-N 3.4Å; F397-L399 PolarHBondContact O-N 3.48Å
400S98.7Very high98.3Very high0 Ų018 Ų180%08%0.084CC..Iπ-helixtrans-77.8-29.8-176.363.60000113.3D43 T47 S396 F397 K404D43-S400 VanDerWaalsContact C-CB 3.45Å; D43-S400 WeakPolarHBondContact O-CB 3.45Å; D43-S400 WeakPolarHBondContact OD1-CB 3.36Å; D43-S400 PolarHBondContact OD1-OG 2.89Å; D43-S400 PolarHBondContact OD2-OG 3.08Å; T47-S400 WeakPolarHBondContact OG1-CA 3.48Å; T47-S400 PolarHBondContact OG1-O 2.52Å; S396-S400 PolarHBondContact O-N 3.41Å; F397-S400 VanDerWaalsContact CA-OG 3.3Å; F397-S400 WeakPolarHBondContact CA-OG 3.4Å; S400-K404 WeakPolarHBondContact O-CB 3.28Å; S400-K404 VanDerWaalsContact O-CD 3.32Å; S400-K404 WeakPolarHBondContact O-CD 3.43Å; S400-K404 WeakPolarHBondContact O-CE 3.21Å; S400-K404 PolarHBondContact O-NZ 3.32Å
401E98.7Very high98.2Very high9 Ų916.3 Ų16.34%0.0428%0.076CC..Iπ-helixtrans-119.4-66.9-173.7-52.3-169.2-97.800112.6P338 F397 L403 K404 Y405 T425 E426 A427P338-E401 HydrophobicContact CB-CB 3.53Å; P338-E401 HydrophobicContact CG-CB 3.76Å; P338-E401 HydrophobicContact CG-CG 4.38Å; P338-E401 WeakPolarHBondContact CG-OE2 3.32Å; F397-E401 HydrophobicContact CB-CB 4.42Å; F397-E401 HydrophobicContact CB-CG 4Å; F397-E401 WeakPolarHBondContact CB-OE1 3.21Å; F397-E401 WeakPolarHBondContact O-CA 3.49Å; F397-E401 VanDerWaalsContact O-CB 3.29Å; F397-E401 WeakPolarHBondContact O-CB 3.45Å; F397-E401 PolarHBondContact O-N 3.06Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 2.93Å; E401-K404 CarbonylContact O-C 3.51Å; E401-K404 WeakPolarHBondContact O-CA 3.5Å; E401-K404 WeakPolarHBondContact O-CB 3.48Å; E401-K404 PolarHBondContact O-N 2.7Å; E401-Y405 HydrophobicContact CB-CD2 4.45Å; E401-Y405 HydrophobicContact CB-CE2 4.37Å; E401-Y405 WeakPolarHBondContact O-CD2 3.46Å; E401-Y405 PolarHBondContact O-N 2.99Å; E401-T425 VanDerWaalsContact OE2-O 3.08Å; E401-E426 WeakPolarHBondContact CG-O 3.23Å; E401-E426 WeakPolarHBondContact OE2-CA 3.28Å; E401-A427 HydrophobicContact CB-CB 4.11Å; E401-A427 HydrophobicContact CG-CB 3.91Å
402T98.7Very high98Very high0 Ų017.5 Ų17.50%09%0.086CC..Iπ-helixtrans-56.7-48.6-170.3-59.70000111.3L336 P338 L341 I367 F397 F398 L406L336-T402 PolarHBondContact O-OG1 2.9Å; P338-T402 WeakPolarHBondContact CA-OG1 3.49Å; P338-T402 WeakPolarHBondContact CB-OG1 3.35Å; L341-T402 HydrophobicContact CD1-CG2 3.57Å; I367-T402 HydrophobicContact CD1-CG2 4.04Å; F397-T402 PolarHBondContact O-N 3.47Å; F397-T402 VanDerWaalsContact O-N 3.1Å; F398-T402 HydrophobicContact CD2-CG2 3.77Å; F398-T402 HydrophobicContact CE2-CG2 3.91Å; T402-L406 HydrophobicContact CG2-CD1 4.5Å; T402-L406 WeakPolarHBondContact O-CB 3.27Å; T402-L406 WeakPolarHBondContact O-CG 3.33Å; T402-L406 PolarHBondContact O-N 3.21Å; T402-L406 VanDerWaalsContact O-N 3.1Å
403L98.8Very high97.7Very high7 Ų720.3 Ų20.34%0.03710%0.101CC..Hα-helixtrans-74.3-25.8176.3-67.9-175.6000113.5M1 F2 A5 M51 F398 E401 L406 Y407M1-L403 HydrophobicContact CB-CD1 4.24Å; M1-L403 HydrophobicContact CB-CD2 3.61Å; M1-L403 HydrophobicContact CE-CD2 4.19Å; M1-L403 HydrophobicContact CG-CD2 4.45Å; M1-L403 HydrophobicContact SD-CD2 4.05Å; F2-L403 VanDerWaalsContact CA-CD1 3.5Å; F2-L403 HydrophobicContact CB-CD1 3.92Å; F2-L403 HydrophobicContact CD2-CB 4.32Å; F2-L403 HydrophobicContact CD2-CD1 4.11Å; F2-L403 HydrophobicContact CG-CD1 4.44Å; A5-L403 HydrophobicContact CB-CD1 4.5Å; M51-L403 HydrophobicContact CE-CB 4.29Å; M51-L403 WeakPolarHBondContact CE-O 3.46Å; F398-L403 HydrophobicContact CD1-CD1 4.07Å; F398-L403 HydrophobicContact CD1-CG 4.35Å; F398-L403 HydrophobicContact CD2-CG 4.3Å; F398-L403 HydrophobicContact CE1-CD1 3.56Å; F398-L403 HydrophobicContact CE1-CD2 4.27Å; F398-L403 HydrophobicContact CE1-CG 3.91Å; F398-L403 HydrophobicContact CE2-CD1 4.47Å; F398-L403 HydrophobicContact CE2-CD2 3.9Å; F398-L403 HydrophobicContact CE2-CG 3.91Å; F398-L403 HydrophobicContact CZ-CD1 3.82Å; F398-L403 HydrophobicContact CZ-CD2 3.64Å; F398-L403 HydrophobicContact CZ-CG 3.71Å; F398-L403 WeakPolarHBondContact O-CB 3.5Å; F398-L403 VanDerWaalsContact O-CG 3.22Å; F398-L403 WeakPolarHBondContact O-CG 3.4Å; F398-L403 PolarHBondContact O-N 3.31Å; E401-L403 VanDerWaalsContact C-N 3.34Å; E401-L403 PolarHBondContact O-N 2.93Å; L403-L406 HydrophobicContact CD2-CD1 4.15Å; L403-Y407 WeakPolarHBondContact O-CB 3.21Å; L403-Y407 PolarHBondContact O-N 3.15Å
404K98.7Very high97.3Very high0 Ų025.9 Ų25.90%013%0.13CC..Hα-helixtrans-69.7-50.4174.9-177.6-176.5-76.3146.20110.4D46 T47 I50 S400 E401 L406 Y407 L408 F423 A427D46-K404 WeakPolarHBondContact OD1-CE 3.44Å; D46-K404 IonicContact OD1-NZ 2.7Å; D46-K404 PolarHBondContact OD1-NZ 2.9Å; D46-K404 IonicContact OD2-NZ 3.48Å; T47-K404 HydrophobicContact CG2-CB 3.89Å; T47-K404 HydrophobicContact CG2-CG 4.37Å; T47-K404 WeakPolarHBondContact OG1-CE 3.33Å; T47-K404 PolarHBondContact OG1-NZ 3.31Å; I50-K404 HydrophobicContact CD1-CD 4.11Å; I50-K404 HydrophobicContact CD1-CG 4.48Å; S400-K404 WeakPolarHBondContact O-CB 3.28Å; S400-K404 VanDerWaalsContact O-CD 3.32Å; S400-K404 WeakPolarHBondContact O-CD 3.43Å; S400-K404 WeakPolarHBondContact O-CE 3.21Å; S400-K404 PolarHBondContact O-NZ 3.32Å; E401-K404 CarbonylContact O-C 3.51Å; E401-K404 WeakPolarHBondContact O-CA 3.5Å; E401-K404 WeakPolarHBondContact O-CB 3.48Å; E401-K404 PolarHBondContact O-N 2.7Å; K404-L406 VanDerWaalsContact C-N 3.33Å; K404-L406 PolarHBondContact O-N 3.31Å; K404-Y407 WeakPolarHBondContact O-CB 3.21Å; K404-Y407 PolarHBondContact O-N 3.46Å; K404-L408 HydrophobicContact CD-CD1 4.42Å; K404-L408 HydrophobicContact CG-CD1 3.82Å; K404-L408 HydrophobicContact CG-CG 4.25Å; K404-L408 WeakPolarHBondContact O-CB 3.33Å; K404-L408 VanDerWaalsContact O-CG 3.28Å; K404-L408 WeakPolarHBondContact O-CG 3.3Å; K404-L408 PolarHBondContact O-N 2.85Å; K404-F423 HydrophobicContact CD-CD1 4.49Å; K404-F423 HydrophobicContact CD-CE1 4.2Å; K404-A427 HydrophobicContact CD-CB 3.85Å; K404-A427 WeakPolarHBondContact CD-O 3.36Å; K404-A427 VanDerWaalsContact CE-O 3.31Å; K404-A427 WeakPolarHBondContact CE-O 3.35Å; K404-A427 PolarHBondContact NZ-O 3.19Å
405Y98.7Very high97Very high1 Ų129.7 Ų29.70%0.00415%0.148CC..Hα-helixtrans-62.2-40175.9-71-55.7000112.2P338 E342 F345 E401 Y407 L408 I409 A427P338-Y405 HydrophobicContact CB-CD2 4.16Å; P338-Y405 HydrophobicContact CB-CE2 4.4Å; E342-Y405 HydrophobicContact CB-CD2 3.83Å; E342-Y405 HydrophobicContact CB-CE1 4.33Å; E342-Y405 HydrophobicContact CB-CE2 3.59Å; E342-Y405 HydrophobicContact CB-CG 4.28Å; E342-Y405 HydrophobicContact CG-CD2 4.45Å; E342-Y405 HydrophobicContact CG-CE1 4.03Å; E342-Y405 HydrophobicContact CG-CE2 3.81Å; E342-Y405 PolarHBondContact OE1-OH 3.48Å; E342-Y405 VanDerWaalsContact OE1-OH 3.08Å; F345-Y405 HydrophobicContact CB-CD1 4.05Å; F345-Y405 AromaticContact CD1-CD1 3.65Å; F345-Y405 HydrophobicContact CD1-CD1 3.65Å; F345-Y405 AromaticContact CD1-CE1 3.8Å; F345-Y405 HydrophobicContact CD1-CE1 3.8Å; F345-Y405 HydrophobicContact CE1-CD1 4.33Å; F345-Y405 HydrophobicContact CE1-CE1 4.25Å; F345-Y405 AromaticContact CG-CD1 3.93Å; F345-Y405 HydrophobicContact CG-CD1 3.93Å; E401-Y405 HydrophobicContact CB-CD2 4.45Å; E401-Y405 HydrophobicContact CB-CE2 4.37Å; E401-Y405 WeakPolarHBondContact O-CD2 3.46Å; E401-Y405 PolarHBondContact O-N 2.99Å; Y405-Y407 VanDerWaalsContact C-N 3.27Å; Y405-Y407 PolarHBondContact O-N 2.94Å; Y405-L408 PolarHBondContact O-N 3.29Å; Y405-I409 WeakPolarHBondContact O-CB 3.39Å; Y405-I409 WeakPolarHBondContact O-CG2 3.3Å; Y405-I409 PolarHBondContact O-N 3.13Å; Y405-A427 HydrophobicContact CD2-CB 4.42Å; Y405-A427 HydrophobicContact CE1-CB 4.33Å; Y405-A427 HydrophobicContact CE2-CB 3.64Å
406L98.7Very high96.8Very high14 Ų1429.6 Ų29.67%0.07315%0.146CC..Hα-helixtrans-60.2-35.7171.4-82.4171.9000112.9L341 A360 A364 I367 T402 L403 K404 F410L341-L406 HydrophobicContact CD1-CD1 4.03Å; L341-L406 HydrophobicContact CD1-CD2 4.32Å; L341-L406 HydrophobicContact CD1-CG 3.88Å; L341-L406 HydrophobicContact CD2-CD2 3.55Å; L341-L406 HydrophobicContact CD2-CG 3.99Å; L341-L406 HydrophobicContact CG-CG 4.48Å; A360-L406 HydrophobicContact CB-CD2 4.2Å; A360-L406 WeakPolarHBondContact O-CD2 3.48Å; A364-L406 HydrophobicContact CB-CD1 4.07Å; A364-L406 HydrophobicContact CB-CD2 3.81Å; I367-L406 HydrophobicContact CD1-CD1 4.45Å; T402-L406 HydrophobicContact CG2-CD1 4.5Å; T402-L406 WeakPolarHBondContact O-CB 3.27Å; T402-L406 WeakPolarHBondContact O-CG 3.33Å; T402-L406 PolarHBondContact O-N 3.21Å; T402-L406 VanDerWaalsContact O-N 3.1Å; L403-L406 HydrophobicContact CD2-CD1 4.15Å; K404-L406 VanDerWaalsContact C-N 3.33Å; K404-L406 PolarHBondContact O-N 3.31Å; L406-F410 WeakPolarHBondContact O-CD2 3.28Å
407Y98.6Very high96.7Very high80 Ų8030.5 Ų30.531%0.31415%0.152SC..Hα-helixtrans-71.6-51.2174.3179-96.7000111.3I50 M51 L403 K404 Y405 I409 F410 S411I50-Y407 HydrophobicContact CG2-CD1 3.91Å; I50-Y407 HydrophobicContact CG2-CE1 3.83Å; M51-Y407 HydrophobicContact CB-CE2 4.34Å; M51-Y407 HydrophobicContact CE-CD2 4.38Å; M51-Y407 HydrophobicContact CE-CG 4.04Å; M51-Y407 HydrophobicContact CG-CD1 4.04Å; M51-Y407 HydrophobicContact CG-CD2 3.8Å; M51-Y407 HydrophobicContact CG-CE1 4.23Å; M51-Y407 HydrophobicContact CG-CE2 4.01Å; M51-Y407 HydrophobicContact CG-CG 3.82Å; L403-Y407 WeakPolarHBondContact O-CB 3.21Å; L403-Y407 PolarHBondContact O-N 3.15Å; K404-Y407 WeakPolarHBondContact O-CB 3.21Å; K404-Y407 PolarHBondContact O-N 3.46Å; Y405-Y407 VanDerWaalsContact C-N 3.27Å; Y405-Y407 PolarHBondContact O-N 2.94Å; Y407-I409 VanDerWaalsContact C-N 3.3Å; Y407-I409 PolarHBondContact O-N 3.39Å; Y407-F410 PolarHBondContact O-N 3.47Å; Y407-F410 VanDerWaalsContact O-N 3.1Å; Y407-S411 WeakPolarHBondContact CE1-OG 3.41Å; Y407-S411 PolarHBondContact O-N 3.09Å; Y407-S411 PolarHBondContact O-OG 2.94Å
408L98.5Very high96.6Very high0 Ų030.5 Ų30.50%015%0.153CC..Hα-helixtrans-64-29-173.4-69.4175.5000114.4I50 F345 R349 K404 Y405 F410 S411 W416 F423I50-L408 HydrophobicContact CG2-CD2 4.13Å; F345-L408 HydrophobicContact CD2-CB 3.9Å; F345-L408 HydrophobicContact CE2-CB 3.56Å; F345-L408 HydrophobicContact CE2-CD1 4.48Å; F345-L408 HydrophobicContact CZ-CB 4.17Å; F345-L408 HydrophobicContact CZ-CD1 4.28Å; R349-L408 PolarHBondContact NH2-O 3.06Å; K404-L408 HydrophobicContact CD-CD1 4.42Å; K404-L408 HydrophobicContact CG-CD1 3.82Å; K404-L408 HydrophobicContact CG-CG 4.25Å; K404-L408 WeakPolarHBondContact O-CB 3.33Å; K404-L408 VanDerWaalsContact O-CG 3.28Å; K404-L408 WeakPolarHBondContact O-CG 3.3Å; K404-L408 PolarHBondContact O-N 2.85Å; Y405-L408 PolarHBondContact O-N 3.29Å; L408-F410 VanDerWaalsContact C-N 3.3Å; L408-S411 PolarHBondContact O-N 2.94Å; L408-W416 HydrophobicContact CD2-CB 3.8Å; L408-W416 VanDerWaalsContact CD2-CD1 3.43Å; L408-W416 HydrophobicContact CD2-CD2 4.4Å; L408-W416 HydrophobicContact CD2-CG 3.57Å; L408-F423 HydrophobicContact CD1-CE1 3.75Å; L408-F423 HydrophobicContact CD1-CE2 4.41Å; L408-F423 HydrophobicContact CD1-CZ 3.6Å
409I98.4Very high96.4Very high1 Ų136 Ų361%0.00518%0.182CC..THydrogen-bonded Turntrans-72.4-24.2177.5-158.3177.7000112.4F345 W348 Y356 Q357 A360 Y405 Y407F345-I409 HydrophobicContact CB-CB 4.43Å; F345-I409 HydrophobicContact CD2-CB 4.25Å; W348-I409 HydrophobicContact CB-CD1 4.16Å; W348-I409 HydrophobicContact CB-CG1 4Å; W348-I409 HydrophobicContact CD2-CG1 3.99Å; W348-I409 HydrophobicContact CE3-CG1 3.86Å; W348-I409 HydrophobicContact CG-CG1 4.02Å; W348-I409 WeakPolarHBondContact CZ3-O 3.38Å; Y356-I409 WeakPolarHBondContact O-CD1 3.38Å; Q357-I409 HydrophobicContact CG-CD1 4.34Å; Q357-I409 HydrophobicContact CG-CG1 3.95Å; Q357-I409 PolarHBondContact NE2-O 3.32Å; A360-I409 HydrophobicContact CB-CD1 3.77Å; A360-I409 HydrophobicContact CB-CG2 3.98Å; Y405-I409 WeakPolarHBondContact O-CB 3.39Å; Y405-I409 WeakPolarHBondContact O-CG2 3.3Å; Y405-I409 PolarHBondContact O-N 3.13Å; Y407-I409 VanDerWaalsContact C-N 3.3Å; Y407-I409 PolarHBondContact O-N 3.39Å
410F98Very high96.2Very high92 Ų9242.6 Ų42.640%0.40421%0.211SC..THydrogen-bonded Turntrans-100.3-7.3174-63.1-71.6000113.2Q357 A360 W361 L406 Y407 L408Q357-F410 HydrophobicContact CB-CD1 4.41Å; Q357-F410 HydrophobicContact CB-CE1 3.81Å; Q357-F410 HydrophobicContact CB-CZ 4.43Å; Q357-F410 HydrophobicContact CG-CD1 4.35Å; Q357-F410 HydrophobicContact CG-CE1 4.21Å; Q357-F410 VanDerWaalsContact O-CZ 3.29Å; Q357-F410 WeakPolarHBondContact O-CZ 3.31Å; A360-F410 HydrophobicContact CB-CE2 4.5Å; A360-F410 HydrophobicContact CB-CZ 4.45Å; W361-F410 HydrophobicContact CB-CZ 3.95Å; W361-F410 HydrophobicContact CE3-CE2 4.29Å; W361-F410 HydrophobicContact CE3-CZ 4.16Å; L406-F410 WeakPolarHBondContact O-CD2 3.28Å; Y407-F410 PolarHBondContact O-N 3.47Å; Y407-F410 VanDerWaalsContact O-N 3.1Å; L408-F410 VanDerWaalsContact C-N 3.3Å
411S96.8Very high96.1Very high7 Ų744.8 Ų44.85%0.04922%0.219CC..SBendtrans-67.5154.5170.1-64.40000111.6W348 Y407 L408W348-S411 VanDerWaalsContact CH2-O 3.25Å; W348-S411 WeakPolarHBondContact CH2-O 3.41Å; Y407-S411 WeakPolarHBondContact CE1-OG 3.41Å; Y407-S411 PolarHBondContact O-N 3.09Å; Y407-S411 PolarHBondContact O-OG 2.94Å; L408-S411 PolarHBondContact O-N 2.94Å
412P94.5Very high96Very high64 Ų6444.7 Ų44.742%0.41622%0.219SC..  trans-51153.1170.2-27.535.1000114.3R349 D414 E415R349-P412 PolarHBondContact NH1-O 3.1Å; R349-P412 PolarHBondContact NH2-O 3.18Å; R349-P412 VanDerWaalsContact NH2-O 3.16Å; P412-D414 VanDerWaalsContact C-N 3.31Å; P412-D414 VanDerWaalsContact CB-OD1 3.23Å; P412-D414 WeakPolarHBondContact CB-OD1 3.33Å; P412-D414 PolarHBondContact O-N 3.34Å; P412-E415 HydrophobicContact CB-CB 4.4Å; P412-E415 HydrophobicContact CB-CG 4.13Å; P412-E415 HydrophobicContact CG-CG 4.26Å; P412-E415 PolarHBondContact O-N 3.15Å
413L91.3Very high96Very high79 Ų7944.7 Ų44.741%0.41422%0.219SC..SBendtrans-68.8-26.3-176.3-77.8167.6000114.1W348 R349 K352W348-L413 HydrophobicContact CH2-CD2 3.5Å; W348-L413 VanDerWaalsContact CH2-CD2 3.5Å; W348-L413 HydrophobicContact CH2-CG 3.98Å; W348-L413 HydrophobicContact CZ2-CD2 3.57Å; W348-L413 HydrophobicContact CZ2-CG 3.94Å; W348-L413 HydrophobicContact CZ3-CD2 4.1Å; R349-L413 VanDerWaalsContact NH1-CA 3.27Å; R349-L413 PolarHBondContact NH1-O 2.91Å; K352-L413 HydrophobicContact CD-CD1 3.76Å; K352-L413 HydrophobicContact CD-CD2 3.65Å; K352-L413 HydrophobicContact CD-CG 4.37Å
414D89.7Confident96Very high131 Ų13144.3 Ų44.370%0.70122%0.217SC*.SBendtrans-86.5-23178.359.8-41.5000112.7P412P412-D414 VanDerWaalsContact C-N 3.31Å; P412-D414 VanDerWaalsContact CB-OD1 3.23Å; P412-D414 WeakPolarHBondContact CB-OD1 3.33Å; P412-D414 PolarHBondContact O-N 3.34Å
415E91.8Very high95.9Very high82 Ų8245.5 Ų45.538%0.38322%0.224SC..THydrogen-bonded Turntrans-70.2136.4167.4-71-173.8-166.200110.6R349 P412 S417R349-E415 PolarHBondContact NH1-O 3.31Å; R349-E415 PolarHBondContact NH2-O 3.48Å; P412-E415 HydrophobicContact CB-CB 4.4Å; P412-E415 HydrophobicContact CB-CG 4.13Å; P412-E415 HydrophobicContact CG-CG 4.26Å; P412-E415 PolarHBondContact O-N 3.15Å; E415-S417 PolarHBondContact O-N 3.03Å
416W92.6Very high95.9Very high40 Ų4046 Ų4615%0.15223%0.227CC..THydrogen-bonded Turntrans51.441.5180-54.899.7000113.1I50 L96 L408 L418 W421 F423I50-W416 HydrophobicContact CB-CH2 4.39Å; I50-W416 HydrophobicContact CB-CZ2 3.87Å; I50-W416 HydrophobicContact CD1-CH2 4.45Å; I50-W416 HydrophobicContact CG1-CD2 4.38Å; I50-W416 HydrophobicContact CG1-CE3 4.42Å; I50-W416 HydrophobicContact CG1-CH2 3.46Å; I50-W416 VanDerWaalsContact CG1-CH2 3.46Å; I50-W416 HydrophobicContact CG1-CZ2 3.41Å; I50-W416 VanDerWaalsContact CG1-CZ2 3.41Å; I50-W416 HydrophobicContact CG1-CZ3 3.99Å; I50-W416 HydrophobicContact CG2-CD2 4.46Å; I50-W416 HydrophobicContact CG2-CZ2 3.96Å; L96-W416 HydrophobicContact CD2-CH2 3.42Å; L96-W416 VanDerWaalsContact CD2-CH2 3.42Å; L96-W416 HydrophobicContact CD2-CZ3 3.53Å; L408-W416 HydrophobicContact CD2-CB 3.8Å; L408-W416 VanDerWaalsContact CD2-CD1 3.43Å; L408-W416 HydrophobicContact CD2-CD2 4.4Å; L408-W416 HydrophobicContact CD2-CG 3.57Å; W416-L418 PolarHBondContact O-N 3.43Å; W416-W421 HydrophobicContact CE3-CD2 4.48Å; W416-W421 HydrophobicContact CE3-CG 4.4Å; W416-W421 AromaticContact CE3-NE1 4Å; W416-W421 HydrophobicContact CZ3-CD2 4.45Å; W416-W421 HydrophobicContact CZ3-CZ2 4.22Å; W416-F423 HydrophobicContact CB-CZ 4.5Å
417S94.7Very high95.9Very high20 Ų2045.4 Ų45.414%0.1422%0.223CC..  trans-52.2129.3176.8159.80000111.5E415 D419 K420 W421E415-S417 PolarHBondContact O-N 3.03Å; S417-D419 PolarHBondContact O-N 3.36Å; S417-D419 WeakPolarHBondContact OG-CB 3.44Å; S417-D419 PolarHBondContact OG-N 3Å; S417-D419 PolarHBondContact OG-OD2 3.09Å; S417-K420 PolarHBondContact O-N 3.48Å; S417-W421 PolarHBondContact O-N 2.91Å; S417-W421 VanDerWaalsContact O-N 3.07Å
418L95.6Very high95.9Very high14 Ų1441.6 Ų41.67%0.07321%0.208CC..THydrogen-bonded Turntrans-69.2-12178.7-61.7177000112.9L277 M280 F281 F345 Y346 R349 W416 K420 W421 F423L277-L418 HydrophobicContact CD1-CD1 4.49Å; M280-L418 HydrophobicContact CE-CD1 3.42Å; M280-L418 VanDerWaalsContact CE-CD1 3.42Å; M280-L418 HydrophobicContact SD-CD1 3.96Å; F281-L418 HydrophobicContact CE2-CB 4.27Å; F281-L418 HydrophobicContact CZ-CB 3.94Å; F281-L418 VanDerWaalsContact CZ-O 3.27Å; F281-L418 WeakPolarHBondContact CZ-O 3.39Å; F345-L418 HydrophobicContact CE1-CD2 4.24Å; F345-L418 HydrophobicContact CZ-CD2 4.29Å; Y346-L418 HydrophobicContact CD1-CD1 3.75Å; Y346-L418 HydrophobicContact CE1-CD1 3.86Å; Y346-L418 HydrophobicContact CE1-CD2 4.02Å; R349-L418 HydrophobicContact CB-CD1 3.99Å; R349-L418 HydrophobicContact CG-CD1 4.13Å; W416-L418 PolarHBondContact O-N 3.43Å; L418-K420 PolarHBondContact O-N 2.96Å; L418-W421 WeakPolarHBondContact CA-O 3.29Å; L418-F423 HydrophobicContact CD2-CD2 3.92Å; L418-F423 HydrophobicContact CD2-CE2 3.85Å
419D93.8Very high95.9Very high115 Ų11541.6 Ų41.662%0.61521%0.208SC*.THydrogen-bonded Turntrans-71.6-21169.6-58-66.6000112.3F281 S417F281-D419 WeakPolarHBondContact CE1-OD1 3.38Å; S417-D419 PolarHBondContact O-N 3.36Å; S417-D419 WeakPolarHBondContact OG-CB 3.44Å; S417-D419 PolarHBondContact OG-N 3Å; S417-D419 PolarHBondContact OG-OD2 3.09Å
420K94.5Very high95.8Very high139 Ų13941.5 Ų41.560%0.60421%0.208SC*.THydrogen-bonded Turntrans-109.4-26.9-177.2-63.3-179.5-177.2173.40112.7S417 L418 P431 V432S417-K420 PolarHBondContact O-N 3.48Å; L418-K420 PolarHBondContact O-N 2.96Å; K420-P431 WeakPolarHBondContact O-CA 3.33Å; K420-V432 PolarHBondContact O-N 3.18Å
421W96.7Very high95.7Very high46 Ų4638.2 Ų38.217%0.17420%0.196CC..EExtended strand (participates in β ladder)trans-129.8131.7-173.4-60.1100.9000111.5A95 L96 W416 S417 L418 F423 P429 F430 P431A95-W421 HydrophobicContact CB-CH2 4.21Å; A95-W421 HydrophobicContact CB-CZ3 3.86Å; L96-W421 HydrophobicContact CD2-CH2 3.79Å; L96-W421 HydrophobicContact CD2-CZ2 4.18Å; L96-W421 HydrophobicContact CD2-CZ3 4.34Å; W416-W421 HydrophobicContact CE3-CD2 4.48Å; W416-W421 HydrophobicContact CE3-CG 4.4Å; W416-W421 AromaticContact CE3-NE1 4Å; W416-W421 HydrophobicContact CZ3-CD2 4.45Å; W416-W421 HydrophobicContact CZ3-CZ2 4.22Å; S417-W421 PolarHBondContact O-N 2.91Å; S417-W421 VanDerWaalsContact O-N 3.07Å; L418-W421 WeakPolarHBondContact CA-O 3.29Å; W421-F423 HydrophobicContact CB-CE2 4.39Å; W421-P429 HydrophobicContact CB-CB 4.37Å; W421-P429 HydrophobicContact CD2-CB 4.24Å; W421-P429 HydrophobicContact CE3-CB 3.71Å; W421-P429 HydrophobicContact CZ3-CB 4.33Å; W421-F430 CarbonylContact C-O 3.54Å; W421-F430 WeakPolarHBondContact CA-O 3.14Å; W421-P431 HydrophobicContact CE3-CB 4.47Å; W421-P431 HydrophobicContact CZ3-CB 4.24Å
422V97.8Very high95.6Very high6 Ų639.6 Ų39.64%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-111.7118.9167.7178.50000107.4K222 L225 V226 F430 V432K222-V422 HydrophobicContact CB-CG1 3.8Å; K222-V422 HydrophobicContact CD-CG1 4.11Å; K222-V422 HydrophobicContact CG-CG1 3.81Å; L225-V422 HydrophobicContact CB-CG2 3.69Å; V226-V422 HydrophobicContact CB-CB 4.36Å; V226-V422 HydrophobicContact CB-CG2 4.31Å; V226-V422 HydrophobicContact CG2-CB 4.22Å; V226-V422 HydrophobicContact CG2-CG2 4.44Å; V422-F430 PolarHBondContact N-O 2.95Å; V422-F430 PolarHBondContact O-N 3.43Å; V422-V432 HydrophobicContact CG2-CG2 3.75Å
423F98.2Very high95.3Very high0 Ų043 Ų430%021%0.208CC..EExtended strand (participates in β ladder)trans-79.2134.2175.3-66.9-93.9000109.1K222 K404 L408 W416 L418 W421 A427 H428 P429K222-F423 WeakPolarHBondContact CD-O 3.31Å; K222-F423 WeakPolarHBondContact CE-O 3.11Å; K222-F423 PolarHBondContact NZ-O 3.5Å; K404-F423 HydrophobicContact CD-CD1 4.49Å; K404-F423 HydrophobicContact CD-CE1 4.2Å; L408-F423 HydrophobicContact CD1-CE1 3.75Å; L408-F423 HydrophobicContact CD1-CE2 4.41Å; L408-F423 HydrophobicContact CD1-CZ 3.6Å; W416-F423 HydrophobicContact CB-CZ 4.5Å; L418-F423 HydrophobicContact CD2-CD2 3.92Å; L418-F423 HydrophobicContact CD2-CE2 3.85Å; W421-F423 HydrophobicContact CB-CE2 4.39Å; F423-A427 VanDerWaalsContact CD1-O 3.29Å; F423-A427 WeakPolarHBondContact CD1-O 3.48Å; F423-H428 CarbonylContact C-O 3.57Å; F423-H428 VanDerWaalsContact CA-O 3.31Å; F423-H428 WeakPolarHBondContact CA-O 3.35Å; F423-P429 HydrophobicContact CD1-CB 4.01Å; F423-P429 HydrophobicContact CE1-CB 3.76Å; F423-P429 HydrophobicContact CE1-CG 4.14Å; F423-P429 HydrophobicContact CZ-CB 4.16Å
424N98.2Very high94.7Very high0 Ų039.3 Ų39.30%019%0.189CC..  trans-71.5-170.7171.885.6-23.5000111.2I84 A88 L156 E157 Y219 K222 E426 A427 H428 F430I84-N424 PolarHBondContact O-ND2 3.19Å; A88-N424 WeakPolarHBondContact CB-ND2 3.41Å; L156-N424 HydrophobicContact CD1-CB 4.03Å; E157-N424 PolarHBondContact OE1-ND2 3.02Å; Y219-N424 HydrophobicContact CE2-CB 4.42Å; Y219-N424 PolarHBondContact OH-ND2 2.98Å; K222-N424 PolarHBondContact NZ-O 3.04Å; K222-N424 VanDerWaalsContact NZ-O 3.09Å; N424-E426 PolarHBondContact O-N 2.86Å; N424-E426 WeakPolarHBondContact OD1-CA 3.41Å; N424-E426 PolarHBondContact OD1-N 2.71Å; N424-A427 PolarHBondContact O-N 3.44Å; N424-A427 PolarHBondContact OD1-N 3.11Å; N424-H428 PolarHBondContact N-O 2.71Å; N424-H428 WeakPolarHBondContact OD1-CB 3.39Å; N424-H428 PolarHBondContact OD1-N 3.39Å; N424-F430 HydrophobicContact CB-CD2 4.28Å; N424-F430 HydrophobicContact CB-CE2 3.91Å
425T97.2Very high93.8Very high25 Ų2535.2 Ų35.215%0.15317%0.171CC..THydrogen-bonded Turntrans-69.3-14.2-179.6-170.60000113.7I84 T153 E218 Y219 E401I84-T425 HydrophobicContact CB-CG2 4.04Å; I84-T425 HydrophobicContact CD1-CG2 3.78Å; I84-T425 HydrophobicContact CG1-CG2 4.47Å; I84-T425 HydrophobicContact CG2-CG2 4.05Å; T153-T425 HydrophobicContact CG2-CG2 4.15Å; E218-T425 WeakPolarHBondContact OE1-CA 3.45Å; E218-T425 WeakPolarHBondContact OE1-CB 3.11Å; E218-T425 PolarHBondContact OE1-N 3.37Å; E218-T425 PolarHBondContact OE2-OG1 2.83Å; Y219-T425 HydrophobicContact CE2-CG2 3.95Å; E401-T425 VanDerWaalsContact OE2-O 3.08Å
426E97.9Very high92.9Very high12 Ų1235 Ų356%0.05617%0.172CC..THydrogen-bonded Turntrans-109.225.6176.7-62.5-68.7161.800110.9I84 R85 E401 N424 H428I84-E426 HydrophobicContact CB-CG 3.89Å; I84-E426 HydrophobicContact CD1-CG 3.64Å; I84-E426 WeakPolarHBondContact CD1-OE1 3.13Å; I84-E426 HydrophobicContact CG1-CG 3.62Å; I84-E426 WeakPolarHBondContact O-CB 3.49Å; I84-E426 WeakPolarHBondContact O-CG 3.33Å; R85-E426 HydrophobicContact CG-CG 3.9Å; R85-E426 IonicContact CZ-OE1 3.09Å; R85-E426 IonicContact CZ-OE2 2.66Å; R85-E426 IonicContact NE-OE1 3.59Å; R85-E426 IonicContact NE-OE2 3.88Å; R85-E426 IonicContact NH1-OE1 2.9Å; R85-E426 IonicContact NH1-OE2 3.9Å; R85-E426 PolarHBondContact NH1-OE2 3.19Å; R85-E426 IonicContact NH2-OE1 2.72Å; R85-E426 PolarHBondContact NH2-OE1 3.19Å; R85-E426 IonicContact NH2-OE2 2.7Å; R85-E426 PolarHBondContact NH2-OE2 2.98Å; E401-E426 WeakPolarHBondContact CG-O 3.23Å; E401-E426 WeakPolarHBondContact OE2-CA 3.28Å; N424-E426 PolarHBondContact O-N 2.86Å; N424-E426 WeakPolarHBondContact OD1-CA 3.41Å; N424-E426 PolarHBondContact OD1-N 2.71Å; E426-H428 PolarHBondContact O-N 2.96Å; E426-H428 VanDerWaalsContact O-N 3.09Å
427A98.4Very high91.5Very high0 Ų033.9 Ų33.90%017%0.169CC..SBendtrans55.327.5179.700000115E401 K404 Y405 F423 N424 P429E401-A427 HydrophobicContact CB-CB 4.11Å; E401-A427 HydrophobicContact CG-CB 3.91Å; K404-A427 HydrophobicContact CD-CB 3.85Å; K404-A427 WeakPolarHBondContact CD-O 3.36Å; K404-A427 VanDerWaalsContact CE-O 3.31Å; K404-A427 WeakPolarHBondContact CE-O 3.35Å; K404-A427 PolarHBondContact NZ-O 3.19Å; Y405-A427 HydrophobicContact CD2-CB 4.42Å; Y405-A427 HydrophobicContact CE1-CB 4.33Å; Y405-A427 HydrophobicContact CE2-CB 3.64Å; F423-A427 VanDerWaalsContact CD1-O 3.29Å; F423-A427 WeakPolarHBondContact CD1-O 3.48Å; N424-A427 PolarHBondContact O-N 3.44Å; N424-A427 PolarHBondContact OD1-N 3.11Å; A427-P429 WeakPolarHBondContact O-CD 3.32Å
428H98.8Very high89.7Confident0 Ų038.3 Ų38.30%020%0.198CC..  trans-85122171.9-63.8-62.4000110.5D43 D46 I84 R85 A88 G89 F423 N424 E426 F430D43-H428 PolarHBondContact O-CE1 3.08Å; D43-H428 IonicContact OD1-CE1 2.76Å; D43-H428 PolarHBondContact OD1-CE1 2.98Å; D43-H428 IonicContact OD1-NE2 3.62Å; D43-H428 PolarHBondContact OD1-NE2 2.8Å; D46-H428 IonicContact OD1-ND1 3.94Å; D46-H428 IonicContact OD2-CE1 3.74Å; D46-H428 IonicContact OD2-CG 2.7Å; D46-H428 IonicContact OD2-ND1 3.18Å; D46-H428 PolarHBondContact OD2-ND1 2.94Å; I84-H428 PolarHBondContact O-CD2 3.05Å; I84-H428 VanDerWaalsContact O-CD2 3.22Å; R85-H428 PolarHBondContact O-NE2 3.08Å; A88-H428 HydrophobicContact CB-CB 4.02Å; A88-H428 WeakPolarHBondContact CB-CD2 3.43Å; G89-H428 VanDerWaalsContact CA-CE1 3.4Å; G89-H428 WeakPolarHBondContact CA-CE1 3.36Å; G89-H428 WeakPolarHBondContact CA-ND1 3.21Å; F423-H428 CarbonylContact C-O 3.57Å; F423-H428 VanDerWaalsContact CA-O 3.31Å; F423-H428 WeakPolarHBondContact CA-O 3.35Å; N424-H428 PolarHBondContact N-O 2.71Å; N424-H428 WeakPolarHBondContact OD1-CB 3.39Å; N424-H428 PolarHBondContact OD1-N 3.39Å; E426-H428 PolarHBondContact O-N 2.96Å; E426-H428 VanDerWaalsContact O-N 3.09Å; H428-F430 HydrophobicContact CB-CE2 4.15Å; H428-F430 VanDerWaalsContact O-CD2 3.27Å; H428-F430 WeakPolarHBondContact O-CD2 3.22Å
429P98Very high87.8Confident0 Ų043.5 Ų43.50%022%0.22CC..EExtended strand (participates in β ladder)trans-74.8128.1-179.729.2-37.2000113.5D46 I50 S92 W421 F423 A427D46-P429 WeakPolarHBondContact OD2-CD 3.41Å; I50-P429 HydrophobicContact CD1-CG 4.17Å; S92-P429 VanDerWaalsContact OG-CD 3.24Å; S92-P429 WeakPolarHBondContact OG-CD 3.27Å; S92-P429 WeakPolarHBondContact OG-CG 3.32Å; W421-P429 HydrophobicContact CB-CB 4.37Å; W421-P429 HydrophobicContact CD2-CB 4.24Å; W421-P429 HydrophobicContact CE3-CB 3.71Å; W421-P429 HydrophobicContact CZ3-CB 4.33Å; F423-P429 HydrophobicContact CD1-CB 4.01Å; F423-P429 HydrophobicContact CE1-CB 3.76Å; F423-P429 HydrophobicContact CE1-CG 4.14Å; F423-P429 HydrophobicContact CZ-CB 4.16Å; A427-P429 WeakPolarHBondContact O-CD 3.32Å
430F97.5Very high86.2Confident0 Ų044.3 Ų44.30%021%0.214CC..EExtended strand (participates in β ladder)trans-110.8140.1170.8-73.3-109.9000110.1A88 L91 E157 Y160 V226 W421 V422 N424 H428 L434A88-F430 HydrophobicContact CB-CE2 4.08Å; A88-F430 HydrophobicContact CB-CZ 3.99Å; L91-F430 HydrophobicContact CB-CE1 4.23Å; L91-F430 HydrophobicContact CB-CZ 4.43Å; L91-F430 HydrophobicContact CD1-CE1 4.16Å; E157-F430 HydrophobicContact CG-CZ 4.03Å; Y160-F430 AromaticContact CD1-CD1 3.41Å; Y160-F430 HydrophobicContact CD1-CD1 3.41Å; Y160-F430 VanDerWaalsContact CD1-CD1 3.41Å; Y160-F430 AromaticContact CD1-CE1 3.58Å; Y160-F430 HydrophobicContact CD1-CE1 3.58Å; Y160-F430 HydrophobicContact CE1-CD1 4.11Å; Y160-F430 HydrophobicContact CE1-CE1 4.49Å; Y160-F430 HydrophobicContact CG-CD1 4.05Å; Y160-F430 HydrophobicContact CG-CE1 4.27Å; V226-F430 HydrophobicContact CG2-CB 3.87Å; W421-F430 CarbonylContact C-O 3.54Å; W421-F430 WeakPolarHBondContact CA-O 3.14Å; V422-F430 PolarHBondContact N-O 2.95Å; V422-F430 PolarHBondContact O-N 3.43Å; N424-F430 HydrophobicContact CB-CD2 4.28Å; N424-F430 HydrophobicContact CB-CE2 3.91Å; H428-F430 HydrophobicContact CB-CE2 4.15Å; H428-F430 VanDerWaalsContact O-CD2 3.27Å; H428-F430 WeakPolarHBondContact O-CD2 3.22Å; F430-L434 HydrophobicContact CB-CD2 4.26Å; F430-L434 HydrophobicContact CD1-CD2 4.34Å
431P95.6Very high84.5Confident22 Ų2239.1 Ų39.114%0.14319%0.193CC..EExtended strand (participates in β ladder)trans-71137.8178.827.1-29.3000111A95 Y160 K420 W421 L434A95-P431 HydrophobicContact CB-CG 4.23Å; Y160-P431 HydrophobicContact CE1-CG 4.45Å; Y160-P431 HydrophobicContact CE2-CG 4.32Å; Y160-P431 WeakPolarHBondContact OH-CG 2.97Å; K420-P431 WeakPolarHBondContact O-CA 3.33Å; W421-P431 HydrophobicContact CE3-CB 4.47Å; W421-P431 HydrophobicContact CZ3-CB 4.24Å; P431-L434 HydrophobicContact CG-CD2 3.94Å; P431-L434 WeakPolarHBondContact O-CD2 3.46Å
432V94.5Very high82.4Confident36 Ų3645.1 Ų45.122%0.21822%0.223CC..SBendtrans-64.8140.4170.4172.40000109.6V226 K420 V422V226-V432 CarbonylContact O-C 3.48Å; K420-V432 PolarHBondContact O-N 3.18Å; V422-V432 HydrophobicContact CG2-CG2 3.75Å
433R88Confident80Confident136 Ų13653.2 Ų53.251%0.51326%0.257SS..SBendtrans63.257.9-171.1-59.5164-176.7-178.73.6112.9V226 S435 D436V226-R433 WeakPolarHBondContact O-CA 3.38Å; V226-R433 PolarHBondContact O-N 3.29Å; R433-S435 PolarHBondContact O-N 3.07Å; R433-S435 VanDerWaalsContact O-N 3.09Å; R433-D436 HydrophobicContact CB-CB 3.91Å; R433-D436 WeakPolarHBondContact CB-OD2 3.18Å; R433-D436 WeakPolarHBondContact CD-OD2 3.46Å; R433-D436 WeakPolarHBondContact O-CB 3.4Å; R433-D436 PolarHBondContact O-N 3.37Å
434L78.3Confident77.8Confident1 Ų157.8 Ų57.81%0.00528%0.278CS..G310 helixtrans-44.7-45176.6-56.9172.7000112.9Y160 V163 V226 F430 P431 D436 D437Y160-L434 HydrophobicContact CD1-CD2 4.14Å; Y160-L434 HydrophobicContact CD2-CB 3.97Å; Y160-L434 HydrophobicContact CD2-CD1 4.4Å; Y160-L434 HydrophobicContact CD2-CD2 3.51Å; Y160-L434 HydrophobicContact CD2-CG 4.15Å; Y160-L434 HydrophobicContact CE1-CD2 4.39Å; Y160-L434 HydrophobicContact CE2-CB 4.47Å; Y160-L434 HydrophobicContact CE2-CD2 3.78Å; Y160-L434 HydrophobicContact CG-CD1 4.31Å; Y160-L434 HydrophobicContact CG-CD2 3.7Å; Y160-L434 HydrophobicContact CG-CG 4.44Å; V163-L434 WeakPolarHBondContact CG1-O 3.38Å; V226-L434 HydrophobicContact CB-CD1 4.34Å; V226-L434 HydrophobicContact CG1-CD1 3.66Å; V226-L434 HydrophobicContact CG1-CG 4.27Å; V226-L434 HydrophobicContact CG2-CD1 3.75Å; V226-L434 HydrophobicContact CG2-CD2 3.81Å; V226-L434 HydrophobicContact CG2-CG 3.7Å; V226-L434 PolarHBondContact O-N 3.43Å; F430-L434 HydrophobicContact CB-CD2 4.26Å; F430-L434 HydrophobicContact CD1-CD2 4.34Å; P431-L434 HydrophobicContact CG-CD2 3.94Å; P431-L434 WeakPolarHBondContact O-CD2 3.46Å; L434-D436 PolarHBondContact O-N 3.19Å; L434-D437 WeakPolarHBondContact O-CB 3.45Å; L434-D437 PolarHBondContact O-N 3Å
435S71.2Confident75.1Confident46 Ų4668.8 Ų68.832%0.32234%0.336SS..G310 helixtrans-64.1-21.7-178.963.10000115.1R230 R433 D437R230-S435 PolarHBondContact NH1-OG 3.22Å; R433-S435 PolarHBondContact O-N 3.07Å; R433-S435 VanDerWaalsContact O-N 3.09Å; S435-D437 VanDerWaalsContact C-N 3.32Å
436D73.4Confident74Confident76 Ų7671 Ų7141%0.40635%0.346SS..G310 helixtrans-89.3-2.4-177.5-59.63.6000111.1R230 R433 L434 P438R230-D436 IonicContact CZ-OD1 2.7Å; R230-D436 IonicContact CZ-OD2 2.79Å; R230-D436 IonicContact NH1-OD1 2.88Å; R230-D436 PolarHBondContact NH1-OD1 2.92Å; R230-D436 IonicContact NH1-OD2 3.54Å; R230-D436 IonicContact NH2-OD1 3.92Å; R230-D436 PolarHBondContact NH2-OD1 3.34Å; R230-D436 IonicContact NH2-OD2 3.45Å; R230-D436 PolarHBondContact NH2-OD2 3.07Å; R433-D436 HydrophobicContact CB-CB 3.91Å; R433-D436 WeakPolarHBondContact CB-OD2 3.18Å; R433-D436 WeakPolarHBondContact CD-OD2 3.46Å; R433-D436 WeakPolarHBondContact O-CB 3.4Å; R433-D436 PolarHBondContact O-N 3.37Å; L434-D436 PolarHBondContact O-N 3.19Å; D436-P438 VanDerWaalsContact O-CD 3.3Å; D436-P438 WeakPolarHBondContact O-CD 3.42Å
437D62.4Low72.8Confident17 Ų1774.1 Ų74.19%0.09136%0.361CS..  trans-61.1117.9174-163.6-35.5000109.3K98 L434 S435 F439K98-D437 IonicContact NZ-OD1 2.7Å; K98-D437 IonicContact NZ-OD2 3.47Å; K98-D437 PolarHBondContact NZ-OD2 3.33Å; L434-D437 WeakPolarHBondContact O-CB 3.45Å; L434-D437 PolarHBondContact O-N 3Å; S435-D437 VanDerWaalsContact C-N 3.32Å; D437-F439 PolarHBondContact O-N 3.32Å; D437-F439 WeakPolarHBondContact OD1-CB 3.44Å; D437-F439 WeakPolarHBondContact OD1-CD2 3.45Å; D437-F439 PolarHBondContact OD1-N 2.97Å
438P56.7Low71.4Confident114 Ų11478.2 Ų78.274%0.7438%0.381SS*.SBendtrans-67.6-18-179.928.2-35.3000112.4D436 R440D436-P438 VanDerWaalsContact O-CD 3.3Å; D436-P438 WeakPolarHBondContact O-CD 3.42Å; P438-R440 PolarHBondContact O-N 3.08Å
439F55.8Low69.7Low123 Ų12382.8 Ų82.854%0.53940%0.403SS..  trans-87.784-178.8-65.4-82.9000111.1Y94 K98 D437Y94-F439 VanDerWaalsContact OH-CB 3.24Å; Y94-F439 WeakPolarHBondContact OH-CB 3.35Å; Y94-F439 PolarHBondContact OH-O 2.82Å; K98-F439 HydrophobicContact CD-CD2 4.49Å; D437-F439 PolarHBondContact O-N 3.32Å; D437-F439 WeakPolarHBondContact OD1-CB 3.44Å; D437-F439 WeakPolarHBondContact OD1-CD2 3.45Å; D437-F439 PolarHBondContact OD1-N 2.97Å
440R62Low68Low131 Ų13188 Ų8849%0.49443%0.429SS..  trans-89.5124.6162.6-60.5-175.7-173.6-174.80.2108.9P438 Q442P438-R440 PolarHBondContact O-N 3.08Å; R440-Q442 PolarHBondContact O-N 2.82Å
441I58.9Low66Low31 Ų3193.9 Ų93.916%0.15946%0.457CS..  trans-72.595.4171.4-56.1-179000106.6P100 V103 L164 K443 F444P100-I441 HydrophobicContact CB-CD1 3.79Å; V103-I441 HydrophobicContact CB-CD1 3.75Å; V103-I441 HydrophobicContact CG1-CD1 3.83Å; V103-I441 HydrophobicContact CG2-CD1 4Å; L164-I441 WeakPolarHBondContact O-CB 3.38Å; L164-I441 PolarHBondContact O-N 2.96Å; I441-K443 VanDerWaalsContact C-N 3.34Å; I441-K443 PolarHBondContact O-N 3.34Å; I441-F444 HydrophobicContact CB-CZ 4.4Å; I441-F444 HydrophobicContact CG2-CD1 4.42Å; I441-F444 HydrophobicContact CG2-CE1 3.97Å; I441-F444 HydrophobicContact CG2-CE2 4.5Å; I441-F444 HydrophobicContact CG2-CZ 4Å
442Q50.6Low63.9Low171 Ų17199 Ų9980%0.79948%0.48SS*.  trans-71.4-24.3-169.9-72.3-172.3000114.1R440R440-Q442 PolarHBondContact O-N 2.82Å
443K47.9Very low61.5Low176 Ų176103.8 Ų103.877%0.76550%0.5SS*.  trans-151.1134.6177.7-79.1-172.9174.5176.80111.3I441I441-K443 VanDerWaalsContact C-N 3.34Å; I441-K443 PolarHBondContact O-N 3.34Å
444F52.9Low59.3Low97 Ų97101.2 Ų101.243%0.42550%0.499SS..  trans-91.1121.1160.1-62.2-79.6000106.9R104 T165 I441R104-F444 HydrophobicContact CG-CD1 4.05Å; R104-F444 HydrophobicContact CG-CE1 3.77Å; T165-F444 HydrophobicContact CG2-CE2 4.23Å; T165-F444 HydrophobicContact CG2-CZ 3.91Å; I441-F444 HydrophobicContact CB-CZ 4.4Å; I441-F444 HydrophobicContact CG2-CD1 4.42Å; I441-F444 HydrophobicContact CG2-CE1 3.97Å; I441-F444 HydrophobicContact CG2-CE2 4.5Å; I441-F444 HydrophobicContact CG2-CZ 4Å
445D41.9Very low57.6Low231 Ų231110.3 Ų110.3100%1.23554%0.543SS*.  trans-780165.2-74.7-24.9000110.5

Retrieved 445 of 445 residues in 382.2 ms (Link to these results)

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