A0A077Z6U6_TRITR Loading...

Zinc finger protein 598

AlphaFold DB , UniProt , Accession A0A077Z6U6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 974 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
1M58.6Low82.7Confident190 Ų19078.9 Ų78.994%0.93647%0.467SS*.  0133.50-67.5163.5173.100107.9V3 A56M1-V3 PolarHBondContact O-N 2.77Å; M1-A56 WeakPolarHBondContact O-CB 3.41Å
2S73.3Confident82.7Confident81 Ų8184.6 Ų84.657%0.56648%0.481SS*.  trans-9316.8-173.551.70000114.8S10 A11S2-S10 CarbonylContact O-C 3.59Å; S2-S10 WeakPolarHBondContact O-CA 3.45Å; S2-A11 PolarHBondContact O-N 3.41Å
3V85.6Confident83.2Confident67 Ų6783.7 Ų83.741%0.40647%0.466SS..BIsolated β-bridgetrans-122.1141.7-174.7176.50000109.8M1 C8 D9M1-V3 PolarHBondContact O-N 2.77Å; V3-C8 WeakPolarHBondContact CG1-O 3.28Å; V3-D9 WeakPolarHBondContact CA-O 3.34Å
4C87.6Confident83.6Confident1 Ų177.8 Ų77.81%0.00743%0.433CS..  trans-80.6127.7176.9-173.90000111.9I6 C7 C8 D9 C24C4-I6 PolarHBondContact O-N 2.65Å; C4-I6 VanDerWaalsContact O-N 3.16Å; C4-I6 PolarHBondContact SG-N 2.97Å; C4-C7 VanDerWaalsContact CB-SG 3.54Å; C4-C8 VanDerWaalsContact O-CA 3.29Å; C4-C8 WeakPolarHBondContact O-CA 3.4Å; C4-C8 PolarHBondContact O-N 2.83Å; C4-D9 PolarHBondContact N-O 2.86Å; C4-C24 HydrophobicContact CB-CB 3.77Å; C4-C24 PolarHBondContact SG-N 2.91Å; C4-C24 VanDerWaalsContact SG-N 3.35Å; C4-C24 PolarHBondContact SG-SG 3.48Å
5I86.1Confident83.9Confident95 Ų9573.1 Ų73.149%0.48741%0.407SS..THydrogen-bonded Turntrans-59.7-27.8177-59.9167.1000112.2P22 V42I5-P22 HydrophobicContact CD1-CG 4.37Å; I5-V42 HydrophobicContact CD1-CG2 4.11Å; I5-V42 HydrophobicContact CG2-CG2 4.41Å
6I86.2Confident84.1Confident69 Ų6969.1 Ų69.135%0.35438%0.384SS..THydrogen-bonded Turntrans-90.7-31-170.7-50.8-177.8000113.5C4 I23 C27 I31 P41C4-I6 PolarHBondContact O-N 2.65Å; C4-I6 VanDerWaalsContact O-N 3.16Å; C4-I6 PolarHBondContact SG-N 2.97Å; I6-I23 HydrophobicContact CD1-CB 4.45Å; I6-I23 HydrophobicContact CD1-CG1 4.16Å; I6-I23 HydrophobicContact CD1-CG2 3.51Å; I6-I23 HydrophobicContact CG1-CG2 4.38Å; I6-C27 HydrophobicContact CB-CB 4.05Å; I6-C27 HydrophobicContact CD1-CB 4.09Å; I6-C27 HydrophobicContact CG2-CB 4.11Å; I6-I31 HydrophobicContact CD1-CD1 3.65Å; I6-P41 HydrophobicContact CD1-CB 3.9Å; I6-P41 HydrophobicContact CD1-CG 3.36Å; I6-P41 HydrophobicContact CG1-CG 4.41Å
7C88.9Confident84.2Confident38 Ų3865.3 Ų65.326%0.25736%0.364SS..THydrogen-bonded Turntrans-125-1.9-177.461.50000114.4C4 D9C4-C7 VanDerWaalsContact CB-SG 3.54Å; C7-D9 PolarHBondContact O-N 3.41Å; C7-D9 PolarHBondContact SG-OD2 3.12Å
8C87.3Confident84.2Confident103 Ų10366.1 Ų66.170%0.69638%0.375SS*.  trans57.74-176.5-57.80000115.5V3 C4V3-C8 WeakPolarHBondContact CG1-O 3.28Å; C4-C8 VanDerWaalsContact O-CA 3.29Å; C4-C8 WeakPolarHBondContact O-CA 3.4Å; C4-C8 PolarHBondContact O-N 2.83Å
9D86.5Confident84.2Confident100 Ų10063.9 Ų63.954%0.53536%0.364SS..  trans-70.4145.8172.1-63.3-54.1000111.7V3 C4 C7 A11V3-D9 WeakPolarHBondContact CA-O 3.34Å; C4-D9 PolarHBondContact N-O 2.86Å; C7-D9 PolarHBondContact O-N 3.41Å; C7-D9 PolarHBondContact SG-OD2 3.12Å; D9-A11 PolarHBondContact O-N 2.88Å
10S85.3Confident84.1Confident104 Ų10465.1 Ų65.173%0.72738%0.375SS*.BIsolated β-bridgetrans-66.1126.7163.9610000110.7S2S2-S10 CarbonylContact O-C 3.59Å; S2-S10 WeakPolarHBondContact O-CA 3.45Å
11A84.2Confident84.3Confident20 Ų2064.9 Ų64.917%0.16537%0.371CS..  trans-123.4149.3179.600000111.8S2 D9 F14 C24S2-A11 PolarHBondContact O-N 3.41Å; D9-A11 PolarHBondContact O-N 2.88Å; A11-F14 HydrophobicContact CB-CE1 4.09Å; A11-F14 HydrophobicContact CB-CE2 4.11Å; A11-F14 HydrophobicContact CB-CZ 3.7Å; A11-F14 WeakPolarHBondContact O-CE2 3.49Å; A11-F14 WeakPolarHBondContact O-CZ 3.13Å; A11-C24 HydrophobicContact CB-CB 3.42Å; A11-C24 VanDerWaalsContact CB-CB 3.42Å
12K83.3Confident85.6Confident147 Ų14757.2 Ų57.264%0.63934%0.335SS*.SBendtrans-100.8-14.5174.7-60-173.8179.6-174.10113.4D55K12-D55 PolarHBondContact O-N 3.13Å
13Y88.3Confident86.3Confident73 Ų7353.7 Ų53.729%0.28631%0.31SS..EExtended strand (participates in β ladder)trans-136121.7-168.7-47.2-58.4000108.6C24 L25 N54 L83 M86Y13-C24 WeakPolarHBondContact O-CA 3.31Å; Y13-L25 PolarHBondContact O-N 3.08Å; Y13-N54 WeakPolarHBondContact CD1-OD1 3.44Å; Y13-N54 VanDerWaalsContact CE1-OD1 3.3Å; Y13-N54 WeakPolarHBondContact CE1-OD1 3.46Å; Y13-L83 HydrophobicContact CD1-CD2 3.39Å; Y13-L83 HydrophobicContact CD2-CD2 4.38Å; Y13-L83 HydrophobicContact CE1-CD2 4.03Å; Y13-L83 HydrophobicContact CG-CD2 3.58Å; Y13-M86 HydrophobicContact CD2-CE 4.2Å; Y13-M86 HydrophobicContact CD2-SD 3.7Å; Y13-M86 HydrophobicContact CE2-CE 3.51Å; Y13-M86 HydrophobicContact CE2-SD 3.6Å; Y13-M86 VanDerWaalsContact CE2-SD 3.6Å
14F88.9Confident86.6Confident1 Ų150.9 Ų50.90%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-122.6139.2-172.9-67-94.2000110.2A11 P22 I23 V52 V53 A56A11-F14 HydrophobicContact CB-CE1 4.09Å; A11-F14 HydrophobicContact CB-CE2 4.11Å; A11-F14 HydrophobicContact CB-CZ 3.7Å; A11-F14 WeakPolarHBondContact O-CE2 3.49Å; A11-F14 WeakPolarHBondContact O-CZ 3.13Å; F14-P22 HydrophobicContact CD1-CB 3.87Å; F14-P22 HydrophobicContact CE1-CB 4.42Å; F14-I23 CarbonylContact C-O 3.55Å; F14-I23 VanDerWaalsContact CA-O 3.28Å; F14-I23 WeakPolarHBondContact CA-O 3.46Å; F14-V52 CarbonylContact O-C 3.6Å; F14-V52 WeakPolarHBondContact O-CA 3.49Å; F14-V53 PolarHBondContact N-O 3.2Å; F14-V53 PolarHBondContact O-N 3.28Å; F14-A56 HydrophobicContact CD1-CB 4.35Å; F14-A56 HydrophobicContact CD2-CB 3.76Å; F14-A56 HydrophobicContact CE1-CB 4.32Å; F14-A56 HydrophobicContact CE2-CB 3.73Å; F14-A56 HydrophobicContact CG-CB 4.08Å; F14-A56 HydrophobicContact CZ-CB 4.02Å
15M88.8Confident86.7Confident7 Ų751.1 Ų51.13%0.03430%0.295CS..EExtended strand (participates in β ladder)trans-99129.9168.1-174.3161.552.300108.8I23 R32 C50 F51 V52 I76M15-I23 PolarHBondContact N-O 3.29Å; M15-I23 PolarHBondContact O-N 2.93Å; M15-R32 HydrophobicContact CE-CG 4.34Å; M15-C50 HydrophobicContact CG-CB 3.65Å; M15-C50 HydrophobicContact SD-CB 3.61Å; M15-F51 WeakPolarHBondContact CA-O 3.45Å; M15-V52 HydrophobicContact CB-CG2 4.16Å; M15-V52 HydrophobicContact CG-CG2 4.1Å; M15-V52 HydrophobicContact SD-CG2 4.03Å; M15-I76 HydrophobicContact SD-CD1 4.48Å; M15-I76 HydrophobicContact SD-CG1 4.24Å; M15-I76 HydrophobicContact SD-CG2 4.15Å
16H87Confident86.9Confident9 Ų951.3 Ų51.34%0.04229%0.292CS..EExtended strand (participates in β ladder)trans-124.4140.7176.8-53.2102.9000108.8C50 F51 G57 V59H16-C50 CarbonylContact O-C 3.58Å; H16-C50 WeakPolarHBondContact O-CA 3.46Å; H16-F51 PolarHBondContact N-O 3.35Å; H16-F51 PolarHBondContact O-N 3.02Å; H16-G57 PolarHBondContact CE1-O 3.35Å; H16-G57 VanDerWaalsContact CE1-O 3.3Å; H16-V59 HydrophobicContact CB-CG2 3.76Å
17G85Confident87.2Confident5 Ų548.3 Ų48.35%0.05228%0.277CS..EExtended strand (participates in β ladder)trans-114.5-159.8165.500000111.3C19 C20 M47 C50G17-C19 PolarHBondContact O-N 3.06Å; G17-C20 PolarHBondContact O-N 3.45Å; G17-M47 VanDerWaalsContact CA-SD 3.55Å; G17-C50 VanDerWaalsContact CA-SG 3.52Å
18S83.9Confident87.2Confident80 Ų8046.6 Ų46.656%0.55927%0.266SS*.THydrogen-bonded Turntrans-57-23-176.952.40000115.3
19C85.9Confident87.4Confident24 Ų2441.7 Ų41.716%0.16223%0.233CC..THydrogen-bonded Turntrans-87.7-0.7176.167.30000114.6G17 H21 C40 C43 M47G17-C19 PolarHBondContact O-N 3.06Å; C19-H21 WeakPolarHBondContact CB-ND1 3.32Å; C19-H21 PolarHBondContact O-N 3.2Å; C19-H21 PolarHBondContact O-ND1 3.38Å; C19-H21 PolarHBondContact SG-ND1 3.24Å; C19-C40 PolarHBondContact SG-SG 3.07Å; C19-C43 VanDerWaalsContact CB-SG 3.52Å; C19-C43 VanDerWaalsContact SG-SG 3.62Å; C19-M47 PolarHBondContact SG-SD 2.97Å
20C82.3Confident87.6Confident87 Ų8739.9 Ų39.959%0.58822%0.218SC*.  trans55.89.9-179.8-59.90000117.6G17G17-C20 PolarHBondContact O-N 3.45Å
21H86.4Confident87.8Confident61 Ų6136.6 Ų36.628%0.28219%0.192SC..  trans-67.8126.1177.4-69.2102.4000112.3C19 I23 V42C19-H21 WeakPolarHBondContact CB-ND1 3.32Å; C19-H21 PolarHBondContact O-N 3.2Å; C19-H21 PolarHBondContact O-ND1 3.38Å; C19-H21 PolarHBondContact SG-ND1 3.24Å; H21-I23 PolarHBondContact O-N 3.01Å; H21-V42 HydrophobicContact CB-CB 4.03Å; H21-V42 HydrophobicContact CB-CG1 4.47Å; H21-V42 HydrophobicContact CB-CG2 4.03Å; H21-V42 VanDerWaalsContact CD2-CG1 3.43Å; H21-V42 WeakPolarHBondContact CD2-CG1 3.44Å
22P86.2Confident87.9Confident29 Ų2935.9 Ų35.919%0.18819%0.185CC..  trans-80.8117.3-175.430.6-34.5000112.6I5 F14I5-P22 HydrophobicContact CD1-CG 4.37Å; F14-P22 HydrophobicContact CD1-CB 3.87Å; F14-P22 HydrophobicContact CE1-CB 4.42Å
23I88.7Confident88Confident8 Ų831.5 Ų31.54%0.04117%0.166CC..EExtended strand (participates in β ladder)trans-124.2134.2179-60.4159.1000108.7I6 F14 M15 H21 C27 P41I6-I23 HydrophobicContact CD1-CB 4.45Å; I6-I23 HydrophobicContact CD1-CG1 4.16Å; I6-I23 HydrophobicContact CD1-CG2 3.51Å; I6-I23 HydrophobicContact CG1-CG2 4.38Å; F14-I23 CarbonylContact C-O 3.55Å; F14-I23 VanDerWaalsContact CA-O 3.28Å; F14-I23 WeakPolarHBondContact CA-O 3.46Å; M15-I23 PolarHBondContact N-O 3.29Å; M15-I23 PolarHBondContact O-N 2.93Å; H21-I23 PolarHBondContact O-N 3.01Å; I23-C27 HydrophobicContact CG2-CB 4.26Å; I23-P41 HydrophobicContact CD1-CG 3.53Å; I23-P41 HydrophobicContact CG1-CG 4.28Å
24C91.6Very high87.9Confident8 Ų830.7 Ų30.75%0.05417%0.167CC..EExtended strand (participates in β ladder)trans-66.1148.7178.776.40000112.2C4 A11 Y13 K26 C27 G28C4-C24 HydrophobicContact CB-CB 3.77Å; C4-C24 PolarHBondContact SG-N 2.91Å; C4-C24 VanDerWaalsContact SG-N 3.35Å; C4-C24 PolarHBondContact SG-SG 3.48Å; A11-C24 HydrophobicContact CB-CB 3.42Å; A11-C24 VanDerWaalsContact CB-CB 3.42Å; Y13-C24 WeakPolarHBondContact O-CA 3.31Å; C24-K26 PolarHBondContact O-N 2.92Å; C24-K26 VanDerWaalsContact O-N 3.08Å; C24-C27 PolarHBondContact O-N 3.45Å; C24-C27 VanDerWaalsContact O-N 3.13Å; C24-C27 PolarHBondContact SG-N 2.89Å; C24-G28 PolarHBondContact O-N 3.35Å
25L90Very high87.6Confident6 Ų632.1 Ų32.13%0.03118%0.181CC..Hα-helixtrans-47.5-41.7179.917856.8000113.1Y13 L29 V52 F78 M86Y13-L25 PolarHBondContact O-N 3.08Å; L25-L29 HydrophobicContact CD1-CD1 3.58Å; L25-L29 HydrophobicContact CD1-CG 3.87Å; L25-L29 HydrophobicContact CG-CD1 3.95Å; L25-L29 VanDerWaalsContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CB 3.11Å; L25-L29 WeakPolarHBondContact O-CG 3.37Å; L25-L29 PolarHBondContact O-N 2.89Å; L25-V52 HydrophobicContact CD1-CG1 3.8Å; L25-V52 HydrophobicContact CD1-CG2 3.97Å; L25-V52 HydrophobicContact CD2-CG1 4.38Å; L25-V52 HydrophobicContact CG-CG1 4.48Å; L25-F78 HydrophobicContact CD1-CE1 4.3Å; L25-M86 HydrophobicContact CD2-CG 4.38Å; L25-M86 HydrophobicContact CD2-SD 4.27Å
26K91Very high87.3Confident98 Ų9834 Ų3443%0.42620%0.203SC..Hα-helixtrans-61.5-56.5177.9-72.5-167.5174.9-164.30112.7C24 G28 L29 R30 L90 F134C24-K26 PolarHBondContact O-N 2.92Å; C24-K26 VanDerWaalsContact O-N 3.08Å; K26-G28 VanDerWaalsContact C-N 3.35Å; K26-G28 PolarHBondContact O-N 3.06Å; K26-L29 PolarHBondContact O-N 2.87Å; K26-R30 WeakPolarHBondContact O-CG 3.49Å; K26-R30 PolarHBondContact O-N 3.38Å; K26-L90 HydrophobicContact CG-CD1 4.25Å; K26-L90 HydrophobicContact CG-CD2 4.5Å; K26-F134 HydrophobicContact CB-CE2 4.16Å; K26-F134 HydrophobicContact CG-CE2 4.35Å; K26-F134 WeakPolarHBondContact O-CZ 3.4Å
27C90.9Very high87.2Confident7 Ų735.8 Ų35.85%0.04722%0.216CC..Hα-helixtrans-68.7-36.8-176.1-67.40000111.7I6 I23 C24 R30 I31I6-C27 HydrophobicContact CB-CB 4.05Å; I6-C27 HydrophobicContact CD1-CB 4.09Å; I6-C27 HydrophobicContact CG2-CB 4.11Å; I23-C27 HydrophobicContact CG2-CB 4.26Å; C24-C27 PolarHBondContact O-N 3.45Å; C24-C27 VanDerWaalsContact O-N 3.13Å; C24-C27 PolarHBondContact SG-N 2.89Å; C27-R30 PolarHBondContact O-N 3.26Å; C27-I31 WeakPolarHBondContact O-CG1 3.4Å; C27-I31 PolarHBondContact O-N 3.15Å; C27-I31 VanDerWaalsContact O-N 3.07Å
28G90.1Very high87.3Confident2 Ų238.1 Ų38.12%0.02123%0.228CC..Hα-helixtrans-64-42.2175.100000113.3C24 K26 I31 R32C24-G28 PolarHBondContact O-N 3.35Å; K26-G28 VanDerWaalsContact C-N 3.35Å; K26-G28 PolarHBondContact O-N 3.06Å; G28-I31 PolarHBondContact O-N 3.09Å; G28-R32 WeakPolarHBondContact O-CB 3.49Å; G28-R32 PolarHBondContact O-N 2.95Å
29L90.9Very high87.5Confident0 Ų039.2 Ų39.20%022%0.224CC..Hα-helixtrans-65.6-39.7173.1-80.5171.3000112.4L25 K26 I31 F33 L34 F71 I76 A87 L90 F134L25-L29 HydrophobicContact CD1-CD1 3.58Å; L25-L29 HydrophobicContact CD1-CG 3.87Å; L25-L29 HydrophobicContact CG-CD1 3.95Å; L25-L29 VanDerWaalsContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CB 3.11Å; L25-L29 WeakPolarHBondContact O-CG 3.37Å; L25-L29 PolarHBondContact O-N 2.89Å; K26-L29 PolarHBondContact O-N 2.87Å; L29-I31 VanDerWaalsContact C-N 3.31Å; L29-I31 PolarHBondContact O-N 3.14Å; L29-F33 HydrophobicContact CD2-CB 4.29Å; L29-F33 WeakPolarHBondContact O-CA 3.43Å; L29-F33 WeakPolarHBondContact O-CB 3.19Å; L29-F33 PolarHBondContact O-N 3.08Å; L29-L34 PolarHBondContact O-N 2.84Å; L29-F71 HydrophobicContact CD2-CE1 4Å; L29-I76 HydrophobicContact CD2-CD1 4.07Å; L29-A87 HydrophobicContact CD1-CB 3.87Å; L29-L90 HydrophobicContact CD1-CD1 4.01Å; L29-F134 HydrophobicContact CB-CE1 3.94Å; L29-F134 HydrophobicContact CB-CZ 3.75Å
30R90.8Very high87.6Confident61 Ų6138.1 Ų38.123%0.2322%0.216CC..Iπ-helixtrans-58.3-44.8174.5-71.2-179-171.9127.4-5111.4K26 C27 L34 G35 L132 F134 E137K26-R30 WeakPolarHBondContact O-CG 3.49Å; K26-R30 PolarHBondContact O-N 3.38Å; C27-R30 PolarHBondContact O-N 3.26Å; R30-L34 HydrophobicContact CG-CD1 4.24Å; R30-L34 WeakPolarHBondContact O-CB 3.25Å; R30-L34 PolarHBondContact O-N 3.11Å; R30-G35 PolarHBondContact O-N 3.04Å; R30-L132 HydrophobicContact CB-CB 4.49Å; R30-L132 VanDerWaalsContact CD-O 3.29Å; R30-L132 WeakPolarHBondContact CD-O 3.46Å; R30-L132 WeakPolarHBondContact CG-O 3.23Å; R30-F134 HydrophobicContact CG-CD2 4.31Å; R30-F134 HydrophobicContact CG-CE1 4.31Å; R30-F134 HydrophobicContact CG-CE2 3.67Å; R30-F134 HydrophobicContact CG-CZ 3.67Å; R30-E137 IonicContact CZ-OE1 3.15Å; R30-E137 IonicContact CZ-OE2 3.25Å; R30-E137 IonicContact NE-OE2 2.74Å; R30-E137 PolarHBondContact NE-OE2 3.23Å; R30-E137 IonicContact NH2-OE1 2.74Å; R30-E137 PolarHBondContact NH2-OE1 2.99Å; R30-E137 IonicContact NH2-OE2 2.73Å; R30-E137 PolarHBondContact NH2-OE2 2.83Å
31I89Confident87.8Confident36 Ų3637 Ų3719%0.18521%0.208CC..Iπ-helixtrans-70.3-53.8-177.7-67.8167000111I6 C27 G28 L29 G35 G36 S37 P41I6-I31 HydrophobicContact CD1-CD1 3.65Å; C27-I31 WeakPolarHBondContact O-CG1 3.4Å; C27-I31 PolarHBondContact O-N 3.15Å; C27-I31 VanDerWaalsContact O-N 3.07Å; G28-I31 PolarHBondContact O-N 3.09Å; L29-I31 VanDerWaalsContact C-N 3.31Å; L29-I31 PolarHBondContact O-N 3.14Å; I31-G35 CarbonylContact O-C 3.58Å; I31-G35 VanDerWaalsContact O-C 3.24Å; I31-G35 VanDerWaalsContact O-CA 3.26Å; I31-G35 WeakPolarHBondContact O-CA 3.39Å; I31-G35 PolarHBondContact O-N 3.48Å; I31-G36 PolarHBondContact O-N 3.1Å; I31-S37 WeakPolarHBondContact CG2-OG 3.47Å; I31-S37 PolarHBondContact O-N 3.04Å; I31-S37 PolarHBondContact O-OG 3.39Å; I31-P41 HydrophobicContact CD1-CB 3.89Å; I31-P41 HydrophobicContact CD1-CG 3.74Å
32R87.5Confident87.8Confident5 Ų536.9 Ų36.92%0.01921%0.212CC..Iπ-helixtrans-75.2-44-176.1-73.1-169.4160.6-106.1-31.3115M15 G28 N38 M47 C50 R74 G75 I76M15-R32 HydrophobicContact CE-CG 4.34Å; G28-R32 WeakPolarHBondContact O-CB 3.49Å; G28-R32 PolarHBondContact O-N 2.95Å; R32-N38 PolarHBondContact NH2-O 3.26Å; R32-M47 PolarHBondContact NH1-O 2.97Å; R32-M47 PolarHBondContact NH2-O 3.23Å; R32-C50 PolarHBondContact NE-SG 3.34Å; R32-C50 VanDerWaalsContact NE-SG 3.39Å; R32-R74 PolarHBondContact NH1-O 2.74Å; R32-R74 PolarHBondContact O-NH1 2.9Å; R32-G75 PolarHBondContact NH1-O 3.11Å; R32-I76 HydrophobicContact CB-CD1 3.94Å
33F85.5Confident88Confident54 Ų5438.1 Ų38.124%0.23722%0.22CC..Iπ-helixtrans-89.3-51.1-170.4-162.6-84000111L29 F71 R74 L91L29-F33 HydrophobicContact CD2-CB 4.29Å; L29-F33 WeakPolarHBondContact O-CA 3.43Å; L29-F33 WeakPolarHBondContact O-CB 3.19Å; L29-F33 PolarHBondContact O-N 3.08Å; F33-F71 HydrophobicContact CD2-CD1 4.17Å; F33-F71 HydrophobicContact CD2-CE1 4.13Å; F33-F71 HydrophobicContact CE2-CD1 4.21Å; F33-F71 HydrophobicContact CE2-CE1 4.14Å; F33-R74 PolarHBondContact O-NH1 3.3Å; F33-L91 HydrophobicContact CD1-CD1 3.81Å; F33-L91 HydrophobicContact CD1-CD2 3.6Å; F33-L91 HydrophobicContact CD1-CG 4.39Å; F33-L91 HydrophobicContact CD2-CD1 4.1Å; F33-L91 HydrophobicContact CE1-CD1 3.68Å; F33-L91 HydrophobicContact CE1-CD2 3.82Å; F33-L91 HydrophobicContact CE1-CG 4.36Å; F33-L91 HydrophobicContact CE2-CD1 3.96Å; F33-L91 HydrophobicContact CG-CD1 4.03Å; F33-L91 HydrophobicContact CG-CD2 4.34Å; F33-L91 HydrophobicContact CZ-CD1 3.76Å
34L85.2Confident87.9Confident57 Ų5746.7 Ų46.730%0.29825%0.252SS..Iπ-helixtrans-81.4-46.8178.9-51.9175.8000111.7L29 R30 G36 L91 L132 R133 F134L29-L34 PolarHBondContact O-N 2.84Å; R30-L34 HydrophobicContact CG-CD1 4.24Å; R30-L34 WeakPolarHBondContact O-CB 3.25Å; R30-L34 PolarHBondContact O-N 3.11Å; L34-G36 PolarHBondContact O-N 3.45Å; L34-L91 HydrophobicContact CD2-CD2 4.21Å; L34-L132 HydrophobicContact CB-CB 4.26Å; L34-L132 HydrophobicContact CB-CD2 4.02Å; L34-L132 HydrophobicContact CD1-CB 4.49Å; L34-R133 WeakPolarHBondContact CD1-O 3.34Å; L34-F134 HydrophobicContact CD1-CD1 4.02Å; L34-F134 HydrophobicContact CD1-CE1 4.23Å
35G82.5Confident87.7Confident30 Ų3050.9 Ų50.931%0.30927%0.271SS..SBendtrans-84.9-0.2-17300000116.5R30 I31 S37R30-G35 PolarHBondContact O-N 3.04Å; I31-G35 CarbonylContact O-C 3.58Å; I31-G35 VanDerWaalsContact O-C 3.24Å; I31-G35 VanDerWaalsContact O-CA 3.26Å; I31-G35 WeakPolarHBondContact O-CA 3.39Å; I31-G35 PolarHBondContact O-N 3.48Å; G35-S37 PolarHBondContact O-N 3.06Å
36G83.5Confident87.6Confident47 Ų4755.6 Ų55.649%0.48529%0.293SS..  trans65.63.5174.900000116.8I31 L34I31-G36 PolarHBondContact O-N 3.1Å; L34-G36 PolarHBondContact O-N 3.45Å
37S85.4Confident87.1Confident46 Ų4651.1 Ų51.132%0.32227%0.273SS..  trans-95.4123.6-173.7300000112I31 G35I31-S37 WeakPolarHBondContact CG2-OG 3.47Å; I31-S37 PolarHBondContact O-N 3.04Å; I31-S37 PolarHBondContact O-OG 3.39Å; G35-S37 PolarHBondContact O-N 3.06Å
38N86.2Confident86.7Confident55 Ų5560.6 Ų60.629%0.29431%0.308SS..  trans-86.9-7.8175.7-67.2-26.7000113.1R32 E46 M47R32-N38 PolarHBondContact NH2-O 3.26Å; N38-E46 HydrophobicContact CB-CG 4.08Å; N38-M47 PolarHBondContact O-N 3.11Å
39E88.8Confident86.5Confident102 Ų10263.4 Ų63.448%0.47733%0.325SS..BIsolated β-bridgetrans-66.9152.4178.7-66.4176.6-153.800112.9P41 Q45E39-P41 WeakPolarHBondContact O-CD 3.43Å; E39-Q45 CarbonylContact C-O 3.6Å; E39-Q45 WeakPolarHBondContact CA-O 3.35Å
40C87.5Confident86.3Confident1 Ų163.5 Ų63.51%0.00733%0.325CS..  trans-77.2121.6166.1-176.10000110.3C19 V42 C43 R44 Q45 M47C19-C40 PolarHBondContact SG-SG 3.07Å; C40-V42 PolarHBondContact O-N 3.08Å; C40-V42 PolarHBondContact SG-N 3.41Å; C40-C43 VanDerWaalsContact CB-SG 3.51Å; C40-C43 PolarHBondContact O-N 3Å; C40-R44 WeakPolarHBondContact O-CA 3.16Å; C40-R44 PolarHBondContact O-N 3.1Å; C40-Q45 PolarHBondContact N-O 3.15Å; C40-M47 HydrophobicContact CB-CE 3.58Å; C40-M47 HydrophobicContact CB-SD 3.86Å
41P85.9Confident86.2Confident64 Ų6462.9 Ų62.942%0.41633%0.325SS..THydrogen-bonded Turntrans-64.3-8.9176.526.3-36.8000114.9I6 I23 I31 E39I6-P41 HydrophobicContact CD1-CB 3.9Å; I6-P41 HydrophobicContact CD1-CG 3.36Å; I6-P41 HydrophobicContact CG1-CG 4.41Å; I23-P41 HydrophobicContact CD1-CG 3.53Å; I23-P41 HydrophobicContact CG1-CG 4.28Å; I31-P41 HydrophobicContact CD1-CB 3.89Å; I31-P41 HydrophobicContact CD1-CG 3.74Å; E39-P41 WeakPolarHBondContact O-CD 3.43Å
42V87.3Confident86.1Confident59 Ų5961.1 Ų61.136%0.35832%0.316SS..THydrogen-bonded Turntrans-95.8-43.6177.4-1730000112.2I5 H21 C40I5-V42 HydrophobicContact CD1-CG2 4.11Å; I5-V42 HydrophobicContact CG2-CG2 4.41Å; H21-V42 HydrophobicContact CB-CB 4.03Å; H21-V42 HydrophobicContact CB-CG1 4.47Å; H21-V42 HydrophobicContact CB-CG2 4.03Å; H21-V42 VanDerWaalsContact CD2-CG1 3.43Å; H21-V42 WeakPolarHBondContact CD2-CG1 3.44Å; C40-V42 PolarHBondContact O-N 3.08Å; C40-V42 PolarHBondContact SG-N 3.41Å
43C89.5Confident86Confident54 Ų5461.1 Ų61.137%0.36532%0.316SS..THydrogen-bonded Turntrans-120.93-174.964.20000115.2C19 C40 Q45C19-C43 VanDerWaalsContact CB-SG 3.52Å; C19-C43 VanDerWaalsContact SG-SG 3.62Å; C40-C43 VanDerWaalsContact CB-SG 3.51Å; C40-C43 PolarHBondContact O-N 3Å; C43-Q45 PolarHBondContact O-N 3.12Å
44R87.9Confident85.7Confident188 Ų18861.3 Ų61.371%0.70932%0.32SS*.  trans57.33.8-177.2-54.6-175.2-173.3177.31.4116.5C40 E46C40-R44 WeakPolarHBondContact O-CA 3.16Å; C40-R44 PolarHBondContact O-N 3.1Å; R44-E46 PolarHBondContact O-N 3.07Å
45Q87.2Confident85Confident96 Ų9663.8 Ų63.845%0.44933%0.333SS..  trans-61.9129.8173.9-173.2178.412.800110.8E39 C40 C43 M47E39-Q45 CarbonylContact C-O 3.6Å; E39-Q45 WeakPolarHBondContact CA-O 3.35Å; C40-Q45 PolarHBondContact N-O 3.15Å; C43-Q45 PolarHBondContact O-N 3.12Å; Q45-M47 PolarHBondContact O-N 2.87Å
46E86.6Confident84Confident105 Ų10563.9 Ų63.949%0.49133%0.331SS..BIsolated β-bridgetrans-64.9124.9169.2-169-167.4-155.600109.9N38 R44N38-E46 HydrophobicContact CB-CG 4.08Å; R44-E46 PolarHBondContact O-N 3.07Å
47M80.5Confident83Confident5 Ų563.5 Ų63.53%0.02533%0.327CS..  trans-115.6110.5178.8-57.9178.2-61.100109.5G17 C19 R32 N38 C40 Q45 T49G17-M47 VanDerWaalsContact CA-SD 3.55Å; C19-M47 PolarHBondContact SG-SD 2.97Å; R32-M47 PolarHBondContact NH1-O 2.97Å; R32-M47 PolarHBondContact NH2-O 3.23Å; N38-M47 PolarHBondContact O-N 3.11Å; C40-M47 HydrophobicContact CB-CE 3.58Å; C40-M47 HydrophobicContact CB-SD 3.86Å; Q45-M47 PolarHBondContact O-N 2.87Å; M47-T49 VanDerWaalsContact C-N 3.3Å; M47-T49 PolarHBondContact O-N 2.56Å
48R83Confident81.8Confident205 Ų20567.6 Ų67.677%0.77435%0.35SS*.SBendtrans-67.6-30.8-178.5-65.5-178-178.2172.91113.3
49T86.7Confident80.8Confident61 Ų6167 Ų6737%0.37435%0.348SS..  trans-129.7155.2176.152.20000111M47 G75M47-T49 VanDerWaalsContact C-N 3.3Å; M47-T49 PolarHBondContact O-N 2.56Å; T49-G75 CarbonylContact C-O 3.45Å; T49-G75 WeakPolarHBondContact CA-O 3.39Å
50C86Confident79.5Confident2 Ų264.2 Ų64.21%0.01434%0.339CS..EExtended strand (participates in β ladder)trans-148.2138.5175.7-88.30000110.7M15 H16 G17 R32 G75 E77M15-C50 HydrophobicContact CG-CB 3.65Å; M15-C50 HydrophobicContact SD-CB 3.61Å; H16-C50 CarbonylContact O-C 3.58Å; H16-C50 WeakPolarHBondContact O-CA 3.46Å; G17-C50 VanDerWaalsContact CA-SG 3.52Å; R32-C50 PolarHBondContact NE-SG 3.34Å; R32-C50 VanDerWaalsContact NE-SG 3.39Å; C50-G75 PolarHBondContact N-O 3.32Å; C50-E77 PolarHBondContact O-N 2.84Å
51F87.8Confident78.2Confident48 Ų4872.8 Ų72.821%0.21138%0.379CS..EExtended strand (participates in β ladder)trans-110.4124-175.6-52-79.3000109.4M15 H16 V53 V59 F65 E77M15-F51 WeakPolarHBondContact CA-O 3.45Å; H16-F51 PolarHBondContact N-O 3.35Å; H16-F51 PolarHBondContact O-N 3.02Å; F51-V53 HydrophobicContact CB-CG2 4.3Å; F51-V59 HydrophobicContact CB-CG1 3.86Å; F51-V59 HydrophobicContact CB-CG2 4.21Å; F51-V59 HydrophobicContact CD2-CG1 3.96Å; F51-V59 HydrophobicContact CD2-CG2 4.28Å; F51-V59 HydrophobicContact CG-CG1 3.87Å; F51-F65 HydrophobicContact CB-CD1 4.4Å; F51-F65 HydrophobicContact CB-CE1 3.84Å; F51-F65 HydrophobicContact CB-CZ 4.2Å; F51-F65 AromaticContact CD1-CD1 3.92Å; F51-F65 HydrophobicContact CD1-CD1 3.92Å; F51-F65 AromaticContact CD1-CD2 3.95Å; F51-F65 HydrophobicContact CD1-CD2 3.95Å; F51-F65 AromaticContact CD1-CE1 3.86Å; F51-F65 HydrophobicContact CD1-CE1 3.86Å; F51-F65 AromaticContact CD1-CE2 3.87Å; F51-F65 HydrophobicContact CD1-CE2 3.87Å; F51-F65 HydrophobicContact CD1-CG 4Å; F51-F65 AromaticContact CD1-CZ 3.84Å; F51-F65 HydrophobicContact CD1-CZ 3.84Å; F51-F65 HydrophobicContact CE1-CD2 4.2Å; F51-F65 HydrophobicContact CE1-CE2 4.24Å; F51-F65 HydrophobicContact CG-CE1 4.21Å; F51-F65 HydrophobicContact CG-CZ 4.21Å; F51-E77 CarbonylContact C-O 3.57Å; F51-E77 WeakPolarHBondContact CA-O 3.49Å; F51-E77 HydrophobicContact CD1-CB 4.05Å; F51-E77 HydrophobicContact CE1-CB 4.43Å; F51-E77 WeakPolarHBondContact CE1-OE2 3.36Å
52V88Confident76.8Confident0 Ų080.8 Ų80.80%040%0.401CS..EExtended strand (participates in β ladder)trans-90.6119.4172.3-1730000108.6F14 M15 L25 I76 E77 F78 E79 L83F14-V52 CarbonylContact O-C 3.6Å; F14-V52 WeakPolarHBondContact O-CA 3.49Å; M15-V52 HydrophobicContact CB-CG2 4.16Å; M15-V52 HydrophobicContact CG-CG2 4.1Å; M15-V52 HydrophobicContact SD-CG2 4.03Å; L25-V52 HydrophobicContact CD1-CG1 3.8Å; L25-V52 HydrophobicContact CD1-CG2 3.97Å; L25-V52 HydrophobicContact CD2-CG1 4.38Å; L25-V52 HydrophobicContact CG-CG1 4.48Å; V52-I76 HydrophobicContact CG2-CG2 4.04Å; V52-E77 PolarHBondContact N-O 3.16Å; V52-F78 HydrophobicContact CB-CD1 3.67Å; V52-F78 HydrophobicContact CB-CE1 4.21Å; V52-F78 HydrophobicContact CB-CG 4.47Å; V52-F78 HydrophobicContact CG1-CD1 4.12Å; V52-F78 HydrophobicContact CG2-CD1 3.67Å; V52-F78 HydrophobicContact CG2-CE1 3.72Å; V52-E79 VanDerWaalsContact O-CB 3.27Å; V52-E79 WeakPolarHBondContact O-CB 3.43Å; V52-E79 PolarHBondContact O-N 2.92Å; V52-L83 HydrophobicContact CG1-CB 4.3Å; V52-L83 HydrophobicContact CG1-CD1 4.12Å; V52-L83 HydrophobicContact CG1-CD2 4.1Å; V52-L83 HydrophobicContact CG1-CG 4.41Å; V52-L83 WeakPolarHBondContact O-CD1 3.28Å
53V86Confident75.5Confident5 Ų579.5 Ų79.53%0.0340%0.397CS..EExtended strand (participates in β ladder)trans-123.6149.7-171.8-169.50000109.4F14 F51 V59F14-V53 PolarHBondContact N-O 3.2Å; F14-V53 PolarHBondContact O-N 3.28Å; F51-V53 HydrophobicContact CB-CG2 4.3Å; V53-V59 HydrophobicContact CG2-CG1 4.45Å; V53-V59 HydrophobicContact CG2-CG2 4.26Å
54N77.5Confident74.4Confident58 Ų5883 Ų8331%0.3142%0.416SS..EExtended strand (participates in β ladder)trans-74.8132.9168.2-61.6-81000109.9Y13 E79Y13-N54 WeakPolarHBondContact CD1-OD1 3.44Å; Y13-N54 VanDerWaalsContact CE1-OD1 3.3Å; Y13-N54 WeakPolarHBondContact CE1-OD1 3.46Å; N54-E79 PolarHBondContact N-OE2 3.18Å; N54-E79 PolarHBondContact ND2-OE2 2.96Å
55D71.9Confident73.8Confident109 Ų10976.5 Ų76.558%0.58339%0.393SS*.SBendtrans60.4166.1-171.6-61.5-49.4000115.3K12 G57K12-D55 PolarHBondContact O-N 3.13Å; D55-G57 PolarHBondContact O-N 2.98Å; D55-G57 VanDerWaalsContact O-N 3.08Å
56A61.1Low73.4Confident32 Ų3274.4 Ų74.426%0.26439%0.387SS..SBendtrans-85.843.6-176.300000112.4M1 F14M1-A56 WeakPolarHBondContact O-CB 3.41Å; F14-A56 HydrophobicContact CD1-CB 4.35Å; F14-A56 HydrophobicContact CD2-CB 3.76Å; F14-A56 HydrophobicContact CE1-CB 4.32Å; F14-A56 HydrophobicContact CE2-CB 3.73Å; F14-A56 HydrophobicContact CG-CB 4.08Å; F14-A56 HydrophobicContact CZ-CB 4.02Å
57G61.4Low72.9Confident38 Ų3871.7 Ų71.739%0.39238%0.379SS..PPolyproline II helixtrans-89.3166177.500000112.8H16 D55H16-G57 PolarHBondContact CE1-O 3.35Å; H16-G57 VanDerWaalsContact CE1-O 3.3Å; D55-G57 PolarHBondContact O-N 2.98Å; D55-G57 VanDerWaalsContact O-N 3.08Å
58T61.7Low73Confident132 Ų13274.9 Ų74.981%0.8139%0.394SS*.PPolyproline II helixtrans-56.4138.5166.543.90000110.6
59V63.8Low72.8Confident42 Ų4273.5 Ų73.526%0.25539%0.394SS..PPolyproline II helixtrans-54.7123.7177.4-177.70000109.8H16 F51 V53 E61 F65H16-V59 HydrophobicContact CB-CG2 3.76Å; F51-V59 HydrophobicContact CB-CG1 3.86Å; F51-V59 HydrophobicContact CB-CG2 4.21Å; F51-V59 HydrophobicContact CD2-CG1 3.96Å; F51-V59 HydrophobicContact CD2-CG2 4.28Å; F51-V59 HydrophobicContact CG-CG1 3.87Å; V53-V59 HydrophobicContact CG2-CG1 4.45Å; V53-V59 HydrophobicContact CG2-CG2 4.26Å; V59-E61 PolarHBondContact O-N 3.5Å; V59-E61 VanDerWaalsContact O-N 3.1Å; V59-F65 HydrophobicContact CG1-CE1 4.4Å; V59-F65 HydrophobicContact CG1-CE2 4.4Å; V59-F65 HydrophobicContact CG1-CZ 3.63Å
60P62.4Low72.6Confident44 Ų4478.7 Ų78.729%0.28641%0.407SS..  trans-67.7110.3-178.223.8-32.6000111.3R62 A63 F65P60-R62 PolarHBondContact O-N 3.09Å; P60-A63 HydrophobicContact CB-CB 4.08Å; P60-A63 HydrophobicContact CG-CB 3.66Å; P60-A63 PolarHBondContact O-N 3.32Å; P60-A63 VanDerWaalsContact O-N 3.07Å; P60-F65 HydrophobicContact CG-CZ 4.49Å
61E59.2Low72.5Confident181 Ų18178.6 Ų78.685%0.84641%0.406SS*.THydrogen-bonded Turntrans-55.6-12.7-174.9-163.6-174.4-135.700115V59V59-E61 PolarHBondContact O-N 3.5Å; V59-E61 VanDerWaalsContact O-N 3.1Å
62R56.3Low72.2Confident233 Ų23381 Ų8188%0.87942%0.418SS*.THydrogen-bonded Turntrans-129.518.9-178.4-60.9-175.1-177.2171.21.6114.3P60P60-R62 PolarHBondContact O-N 3.09Å
63A61.6Low71.8Confident32 Ų3285 Ų8526%0.26445%0.451SS..  trans-76.5138.6172.700000111.7P60 F65P60-A63 HydrophobicContact CB-CB 4.08Å; P60-A63 HydrophobicContact CG-CB 3.66Å; P60-A63 PolarHBondContact O-N 3.32Å; P60-A63 VanDerWaalsContact O-N 3.07Å; A63-F65 HydrophobicContact CB-CE1 4.42Å; A63-F65 HydrophobicContact CB-CE2 3.98Å; A63-F65 HydrophobicContact CB-CZ 3.91Å; A63-F65 WeakPolarHBondContact O-CD2 3Å; A63-F65 PolarHBondContact O-N 2.9Å
64T65.8Low71.6Confident127 Ų12789.2 Ų89.278%0.77947%0.467SS*.  trans-81.295.3166.851.50000108.9
65F74.4Confident71.9Confident51 Ų5187 Ų8722%0.22446%0.458CS..  trans-66.7150.4175.6-62.6-84.5000111.6F51 V59 P60 A63 E77 F78 E79F51-F65 HydrophobicContact CB-CD1 4.4Å; F51-F65 HydrophobicContact CB-CE1 3.84Å; F51-F65 HydrophobicContact CB-CZ 4.2Å; F51-F65 AromaticContact CD1-CD1 3.92Å; F51-F65 HydrophobicContact CD1-CD1 3.92Å; F51-F65 AromaticContact CD1-CD2 3.95Å; F51-F65 HydrophobicContact CD1-CD2 3.95Å; F51-F65 AromaticContact CD1-CE1 3.86Å; F51-F65 HydrophobicContact CD1-CE1 3.86Å; F51-F65 AromaticContact CD1-CE2 3.87Å; F51-F65 HydrophobicContact CD1-CE2 3.87Å; F51-F65 HydrophobicContact CD1-CG 4Å; F51-F65 AromaticContact CD1-CZ 3.84Å; F51-F65 HydrophobicContact CD1-CZ 3.84Å; F51-F65 HydrophobicContact CE1-CD2 4.2Å; F51-F65 HydrophobicContact CE1-CE2 4.24Å; F51-F65 HydrophobicContact CG-CE1 4.21Å; F51-F65 HydrophobicContact CG-CZ 4.21Å; V59-F65 HydrophobicContact CG1-CE1 4.4Å; V59-F65 HydrophobicContact CG1-CE2 4.4Å; V59-F65 HydrophobicContact CG1-CZ 3.63Å; P60-F65 HydrophobicContact CG-CZ 4.49Å; A63-F65 HydrophobicContact CB-CE1 4.42Å; A63-F65 HydrophobicContact CB-CE2 3.98Å; A63-F65 HydrophobicContact CB-CZ 3.91Å; A63-F65 WeakPolarHBondContact O-CD2 3Å; A63-F65 PolarHBondContact O-N 2.9Å; F65-E77 HydrophobicContact CB-CB 4.01Å; F65-E77 HydrophobicContact CG-CB 4.39Å; F65-F78 WeakPolarHBondContact CA-O 3.28Å; F65-E79 HydrophobicContact CD1-CB 4.33Å; F65-E79 HydrophobicContact CE1-CB 4.09Å
66V79.1Confident72.7Confident52 Ų5281.9 Ų81.932%0.31543%0.43SS..BIsolated β-bridgetrans-113.3132.7177.1-171.20000108.4F78 L84V66-F78 PolarHBondContact N-O 3.36Å; V66-F78 WeakPolarHBondContact O-CB 3.41Å; V66-F78 WeakPolarHBondContact O-CD2 3.49Å; V66-F78 PolarHBondContact O-N 2.86Å; V66-L84 HydrophobicContact CG1-CD2 3.86Å
67S77.6Confident73.9Confident48 Ų4883.2 Ų83.234%0.33643%0.431SS..  trans-128.9163.717762.90000111.3E72S67-E72 WeakPolarHBondContact CB-OE1 3.44Å; S67-E72 PolarHBondContact OG-OE1 2.97Å
68E81.3Confident75.2Confident72 Ų7281.4 Ų81.434%0.33641%0.412SS..  trans-129.7152.5163.1-70.4174.4-178.600108.1R70 F71 E72 L84 N88E68-R70 PolarHBondContact O-N 2.9Å; E68-F71 HydrophobicContact CB-CD2 4.24Å; E68-F71 WeakPolarHBondContact O-CA 3.19Å; E68-F71 PolarHBondContact O-N 3.26Å; E68-E72 VanDerWaalsContact C-CD 3.49Å; E68-E72 VanDerWaalsContact C-OE1 3.3Å; E68-E72 WeakPolarHBondContact O-CG 3.45Å; E68-E72 PolarHBondContact O-N 3.49Å; E68-L84 HydrophobicContact CB-CD1 4.38Å; E68-L84 HydrophobicContact CG-CD1 3.87Å; E68-L84 HydrophobicContact CG-CD2 3.88Å; E68-L84 HydrophobicContact CG-CG 4.37Å; E68-N88 PolarHBondContact OE1-ND2 3.39Å; E68-N88 PolarHBondContact OE2-ND2 3.25Å
69K80.2Confident76.3Confident176 Ų17677.6 Ų77.677%0.76539%0.385SS*.Hα-helixtrans-45.8-33.2-179.7-61.2-175.2178.3-174.60115.4F71 E72 A73K69-F71 VanDerWaalsContact C-N 3.34Å; K69-E72 WeakPolarHBondContact CA-OE2 3.16Å; K69-E72 PolarHBondContact N-OE1 3.43Å; K69-A73 PolarHBondContact O-N 2.79Å
70R81.5Confident77.4Confident171 Ų17177.4 Ų77.465%0.64538%0.384SS*.Hα-helixtrans-67.4-31.3177.1-71.4178.1168.5-178.5-6.2113.4E68E68-R70 PolarHBondContact O-N 2.9Å
71F84.8Confident78.5Confident0 Ų078.6 Ų78.60%039%0.392CS..Hα-helixtrans-96.9-31.6179.7-64.6-69.6000112.1L29 F33 E68 K69 A73 R74 G75 I76 F78 L84 A87 L91L29-F71 HydrophobicContact CD2-CE1 4Å; F33-F71 HydrophobicContact CD2-CD1 4.17Å; F33-F71 HydrophobicContact CD2-CE1 4.13Å; F33-F71 HydrophobicContact CE2-CD1 4.21Å; F33-F71 HydrophobicContact CE2-CE1 4.14Å; E68-F71 HydrophobicContact CB-CD2 4.24Å; E68-F71 WeakPolarHBondContact O-CA 3.19Å; E68-F71 PolarHBondContact O-N 3.26Å; K69-F71 VanDerWaalsContact C-N 3.34Å; F71-A73 VanDerWaalsContact C-N 3.29Å; F71-A73 PolarHBondContact O-N 2.94Å; F71-R74 CarbonylContact O-C 3.59Å; F71-R74 PolarHBondContact O-N 3.4Å; F71-G75 PolarHBondContact O-N 2.73Å; F71-I76 HydrophobicContact CB-CB 4.12Å; F71-I76 WeakPolarHBondContact CB-O 3.3Å; F71-I76 HydrophobicContact CD1-CB 4.43Å; F71-I76 HydrophobicContact CD1-CD1 4.49Å; F71-I76 HydrophobicContact CD1-CG2 4.46Å; F71-I76 PolarHBondContact O-N 3.26Å; F71-F78 HydrophobicContact CB-CE2 3.96Å; F71-F78 HydrophobicContact CD1-CE2 4.03Å; F71-F78 AromaticContact CD1-CZ 3.86Å; F71-F78 HydrophobicContact CD1-CZ 3.86Å; F71-F78 AromaticContact CD2-CE2 3.66Å; F71-F78 HydrophobicContact CD2-CE2 3.66Å; F71-F78 HydrophobicContact CD2-CZ 4.13Å; F71-F78 HydrophobicContact CE1-CE2 4.45Å; F71-F78 AromaticContact CE1-CZ 3.98Å; F71-F78 HydrophobicContact CE1-CZ 3.98Å; F71-F78 HydrophobicContact CE2-CE2 4.12Å; F71-F78 HydrophobicContact CE2-CZ 4.24Å; F71-F78 AromaticContact CG-CE2 3.61Å; F71-F78 HydrophobicContact CG-CE2 3.61Å; F71-F78 AromaticContact CG-CZ 3.95Å; F71-F78 HydrophobicContact CG-CZ 3.95Å; F71-F78 HydrophobicContact CZ-CE2 4.49Å; F71-F78 HydrophobicContact CZ-CZ 4.16Å; F71-L84 HydrophobicContact CD2-CD1 3.71Å; F71-L84 HydrophobicContact CE2-CD1 3.7Å; F71-A87 HydrophobicContact CE1-CB 4.07Å; F71-A87 HydrophobicContact CE2-CB 4.45Å; F71-A87 HydrophobicContact CZ-CB 3.71Å; F71-L91 HydrophobicContact CE1-CD1 3.74Å; F71-L91 HydrophobicContact CZ-CD1 3.81Å
72E80.7Confident79.8Confident98 Ų9872.1 Ų72.146%0.45837%0.37SS..Hα-helixtrans-54.3-44.9171.3-69.8159.5-159.100111.3S67 E68 K69 R74 G75S67-E72 WeakPolarHBondContact CB-OE1 3.44Å; S67-E72 PolarHBondContact OG-OE1 2.97Å; E68-E72 VanDerWaalsContact C-CD 3.49Å; E68-E72 VanDerWaalsContact C-OE1 3.3Å; E68-E72 WeakPolarHBondContact O-CG 3.45Å; E68-E72 PolarHBondContact O-N 3.49Å; K69-E72 WeakPolarHBondContact CA-OE2 3.16Å; K69-E72 PolarHBondContact N-OE1 3.43Å; E72-R74 PolarHBondContact O-N 3.49Å; E72-G75 PolarHBondContact O-N 3.08Å
73A79.6Confident81.3Confident85 Ų8561.1 Ų61.170%0.70233%0.328SS*.THydrogen-bonded Turntrans-64.7-7.8176.800000115K69 F71K69-A73 PolarHBondContact O-N 2.79Å; F71-A73 VanDerWaalsContact C-N 3.29Å; F71-A73 PolarHBondContact O-N 2.94Å
74R81.4Confident82.6Confident93 Ų9360.2 Ų60.235%0.35132%0.319SS..THydrogen-bonded Turntrans-122.412.5172.3-66.2-66.2177.889.74.6112.6R32 F33 F71 E72 I76R32-R74 PolarHBondContact NH1-O 2.74Å; R32-R74 PolarHBondContact O-NH1 2.9Å; F33-R74 PolarHBondContact O-NH1 3.3Å; F71-R74 CarbonylContact O-C 3.59Å; F71-R74 PolarHBondContact O-N 3.4Å; E72-R74 PolarHBondContact O-N 3.49Å; R74-I76 HydrophobicContact CB-CD1 4.34Å; R74-I76 HydrophobicContact CB-CG1 4.45Å; R74-I76 PolarHBondContact O-N 3.05Å
75G83.9Confident83.7Confident12 Ų1261.3 Ų61.312%0.12431%0.309CS..THydrogen-bonded Turntrans57.246.9-179.800000113.3R32 T49 C50 F71 E72R32-G75 PolarHBondContact NH1-O 3.11Å; T49-G75 CarbonylContact C-O 3.45Å; T49-G75 WeakPolarHBondContact CA-O 3.39Å; C50-G75 PolarHBondContact N-O 3.32Å; F71-G75 PolarHBondContact O-N 2.73Å; E72-G75 PolarHBondContact O-N 3.08Å
76I88.3Confident84.3Confident0 Ų062.2 Ų62.20%032%0.315CS..EExtended strand (participates in β ladder)trans-117124.1177.4-58.3173.9000109.7M15 L29 R32 V52 F71 R74 F78M15-I76 HydrophobicContact SD-CD1 4.48Å; M15-I76 HydrophobicContact SD-CG1 4.24Å; M15-I76 HydrophobicContact SD-CG2 4.15Å; L29-I76 HydrophobicContact CD2-CD1 4.07Å; R32-I76 HydrophobicContact CB-CD1 3.94Å; V52-I76 HydrophobicContact CG2-CG2 4.04Å; F71-I76 HydrophobicContact CB-CB 4.12Å; F71-I76 WeakPolarHBondContact CB-O 3.3Å; F71-I76 HydrophobicContact CD1-CB 4.43Å; F71-I76 HydrophobicContact CD1-CD1 4.49Å; F71-I76 HydrophobicContact CD1-CG2 4.46Å; F71-I76 PolarHBondContact O-N 3.26Å; R74-I76 HydrophobicContact CB-CD1 4.34Å; R74-I76 HydrophobicContact CB-CG1 4.45Å; R74-I76 PolarHBondContact O-N 3.05Å; I76-F78 HydrophobicContact CG2-CE1 4.14Å; I76-F78 HydrophobicContact CG2-CE2 3.97Å; I76-F78 HydrophobicContact CG2-CZ 3.67Å
77E87.3Confident84.8Confident60 Ų6059.8 Ų59.828%0.2830%0.3SS..EExtended strand (participates in β ladder)trans-124.6145.1-178.5-68.5177.6-135.800110.2C50 F51 V52 F65C50-E77 PolarHBondContact O-N 2.84Å; F51-E77 CarbonylContact C-O 3.57Å; F51-E77 WeakPolarHBondContact CA-O 3.49Å; F51-E77 HydrophobicContact CD1-CB 4.05Å; F51-E77 HydrophobicContact CE1-CB 4.43Å; F51-E77 WeakPolarHBondContact CE1-OE2 3.36Å; V52-E77 PolarHBondContact N-O 3.16Å; F65-E77 HydrophobicContact CB-CB 4.01Å; F65-E77 HydrophobicContact CG-CB 4.39Å
78F88.7Confident85.3Confident0 Ų059.3 Ų59.30%029%0.293CS..EExtended strand (participates in β ladder)trans-120.2128.4-172.8-58-89000111.9L25 V52 F65 V66 F71 I76 T80 L83 L84 A87L25-F78 HydrophobicContact CD1-CE1 4.3Å; V52-F78 HydrophobicContact CB-CD1 3.67Å; V52-F78 HydrophobicContact CB-CE1 4.21Å; V52-F78 HydrophobicContact CB-CG 4.47Å; V52-F78 HydrophobicContact CG1-CD1 4.12Å; V52-F78 HydrophobicContact CG2-CD1 3.67Å; V52-F78 HydrophobicContact CG2-CE1 3.72Å; F65-F78 WeakPolarHBondContact CA-O 3.28Å; V66-F78 PolarHBondContact N-O 3.36Å; V66-F78 WeakPolarHBondContact O-CB 3.41Å; V66-F78 WeakPolarHBondContact O-CD2 3.49Å; V66-F78 PolarHBondContact O-N 2.86Å; F71-F78 HydrophobicContact CB-CE2 3.96Å; F71-F78 HydrophobicContact CD1-CE2 4.03Å; F71-F78 AromaticContact CD1-CZ 3.86Å; F71-F78 HydrophobicContact CD1-CZ 3.86Å; F71-F78 AromaticContact CD2-CE2 3.66Å; F71-F78 HydrophobicContact CD2-CE2 3.66Å; F71-F78 HydrophobicContact CD2-CZ 4.13Å; F71-F78 HydrophobicContact CE1-CE2 4.45Å; F71-F78 AromaticContact CE1-CZ 3.98Å; F71-F78 HydrophobicContact CE1-CZ 3.98Å; F71-F78 HydrophobicContact CE2-CE2 4.12Å; F71-F78 HydrophobicContact CE2-CZ 4.24Å; F71-F78 AromaticContact CG-CE2 3.61Å; F71-F78 HydrophobicContact CG-CE2 3.61Å; F71-F78 AromaticContact CG-CZ 3.95Å; F71-F78 HydrophobicContact CG-CZ 3.95Å; F71-F78 HydrophobicContact CZ-CE2 4.49Å; F71-F78 HydrophobicContact CZ-CZ 4.16Å; I76-F78 HydrophobicContact CG2-CE1 4.14Å; I76-F78 HydrophobicContact CG2-CE2 3.97Å; I76-F78 HydrophobicContact CG2-CZ 3.67Å; F78-T80 PolarHBondContact O-N 2.88Å; F78-L83 HydrophobicContact CB-CB 4.17Å; F78-L83 HydrophobicContact CD1-CB 3.83Å; F78-L83 HydrophobicContact CG-CB 4.42Å; F78-L84 HydrophobicContact CB-CB 4.26Å; F78-L84 HydrophobicContact CD2-CB 3.99Å; F78-L84 HydrophobicContact CD2-CD1 3.69Å; F78-L84 HydrophobicContact CD2-CG 4.42Å; F78-L84 HydrophobicContact CE2-CD1 3.6Å; F78-L84 HydrophobicContact CG-CB 4.05Å; F78-L84 HydrophobicContact CZ-CD1 4.39Å; F78-A87 HydrophobicContact CE1-CB 3.53Å; F78-A87 HydrophobicContact CZ-CB 3.51Å
79E85.6Confident85.5Confident52 Ų5259.4 Ų59.424%0.24330%0.296CS..SBendtrans-58.6-31.6178.9-177.6-167.6-15600112.4V52 N54 F65 L83V52-E79 VanDerWaalsContact O-CB 3.27Å; V52-E79 WeakPolarHBondContact O-CB 3.43Å; V52-E79 PolarHBondContact O-N 2.92Å; N54-E79 PolarHBondContact N-OE2 3.18Å; N54-E79 PolarHBondContact ND2-OE2 2.96Å; F65-E79 HydrophobicContact CD1-CB 4.33Å; F65-E79 HydrophobicContact CE1-CB 4.09Å; E79-L83 HydrophobicContact CB-CD1 4.11Å
80T85.6Confident85.9Confident38 Ų3852.1 Ų52.123%0.23327%0.266CS..SBendtrans-137.4149.7-178.870.30000112F78 A82 L83 L84F78-T80 PolarHBondContact O-N 2.88Å; T80-A82 PolarHBondContact O-N 2.94Å; T80-A82 VanDerWaalsContact O-N 3.07Å; T80-L83 PolarHBondContact O-N 2.79Å; T80-L83 VanDerWaalsContact O-N 3.07Å; T80-L83 WeakPolarHBondContact OG1-CG 3.27Å; T80-L83 PolarHBondContact OG1-N 3.26Å; T80-L84 PolarHBondContact O-N 2.94Å
81P85.9Confident86.1Confident69 Ų6945.1 Ų45.145%0.44824%0.241SC..Hα-helixtrans-65.9-9.5173.928-35.7000113.3R85P81-R85 WeakPolarHBondContact O-CG 3.49Å; P81-R85 PolarHBondContact O-N 3.47Å; P81-R85 PolarHBondContact O-NH1 3.2Å
82A87.4Confident86.1Confident46 Ų4646.3 Ų46.338%0.3825%0.25SS..Hα-helixtrans-74.3-38.917100000112.1T80 R85 M86T80-A82 PolarHBondContact O-N 2.94Å; T80-A82 VanDerWaalsContact O-N 3.07Å; A82-R85 PolarHBondContact O-N 2.8Å; A82-M86 PolarHBondContact O-N 2.8Å
83L88Confident86.2Confident2 Ų244 Ų441%0.0124%0.239CC..Hα-helixtrans-67.7-41.2175.3-64.7163.1000111.1Y13 V52 F78 E79 T80 M86 A87Y13-L83 HydrophobicContact CD1-CD2 3.39Å; Y13-L83 HydrophobicContact CD2-CD2 4.38Å; Y13-L83 HydrophobicContact CE1-CD2 4.03Å; Y13-L83 HydrophobicContact CG-CD2 3.58Å; V52-L83 HydrophobicContact CG1-CB 4.3Å; V52-L83 HydrophobicContact CG1-CD1 4.12Å; V52-L83 HydrophobicContact CG1-CD2 4.1Å; V52-L83 HydrophobicContact CG1-CG 4.41Å; V52-L83 WeakPolarHBondContact O-CD1 3.28Å; F78-L83 HydrophobicContact CB-CB 4.17Å; F78-L83 HydrophobicContact CD1-CB 3.83Å; F78-L83 HydrophobicContact CG-CB 4.42Å; E79-L83 HydrophobicContact CB-CD1 4.11Å; T80-L83 PolarHBondContact O-N 2.79Å; T80-L83 VanDerWaalsContact O-N 3.07Å; T80-L83 WeakPolarHBondContact OG1-CG 3.27Å; T80-L83 PolarHBondContact OG1-N 3.26Å; L83-M86 WeakPolarHBondContact O-CB 3.43Å; L83-M86 PolarHBondContact O-N 2.91Å; L83-A87 PolarHBondContact O-N 3.32Å
84L88.1Confident86.4Confident13 Ų1344.3 Ų44.37%0.06822%0.222CC..Hα-helixtrans-58.4-47.7173.7174.963.4000112.1V66 E68 F71 F78 T80 M86 A87 N88V66-L84 HydrophobicContact CG1-CD2 3.86Å; E68-L84 HydrophobicContact CB-CD1 4.38Å; E68-L84 HydrophobicContact CG-CD1 3.87Å; E68-L84 HydrophobicContact CG-CD2 3.88Å; E68-L84 HydrophobicContact CG-CG 4.37Å; F71-L84 HydrophobicContact CD2-CD1 3.71Å; F71-L84 HydrophobicContact CE2-CD1 3.7Å; F78-L84 HydrophobicContact CB-CB 4.26Å; F78-L84 HydrophobicContact CD2-CB 3.99Å; F78-L84 HydrophobicContact CD2-CD1 3.69Å; F78-L84 HydrophobicContact CD2-CG 4.42Å; F78-L84 HydrophobicContact CE2-CD1 3.6Å; F78-L84 HydrophobicContact CG-CB 4.05Å; F78-L84 HydrophobicContact CZ-CD1 4.39Å; T80-L84 PolarHBondContact O-N 2.94Å; L84-M86 VanDerWaalsContact C-N 3.34Å; L84-M86 PolarHBondContact O-N 3.05Å; L84-A87 PolarHBondContact O-N 3.3Å; L84-N88 PolarHBondContact O-N 3.19Å
85R88.6Confident86.5Confident150 Ų15040.2 Ų40.257%0.56621%0.207SC*.Hα-helixtrans-58.5-45.8173.6-75.2-170.6-53.6-86.36.4111.5P81 A82 A87 N88 D89P81-R85 WeakPolarHBondContact O-CG 3.49Å; P81-R85 PolarHBondContact O-N 3.47Å; P81-R85 PolarHBondContact O-NH1 3.2Å; A82-R85 PolarHBondContact O-N 2.8Å; R85-A87 VanDerWaalsContact C-N 3.31Å; R85-A87 PolarHBondContact O-N 2.96Å; R85-N88 CarbonylContact O-C 3.57Å; R85-N88 PolarHBondContact O-N 3.19Å; R85-D89 WeakPolarHBondContact O-CB 3.34Å; R85-D89 PolarHBondContact O-N 3.28Å
86M87.3Confident86.3Confident70 Ų7043.4 Ų43.435%0.34523%0.228SC..Hα-helixtrans-62-35.9178.5-169175.2-58.900113.1Y13 L25 A82 L83 L84 L90Y13-M86 HydrophobicContact CD2-CE 4.2Å; Y13-M86 HydrophobicContact CD2-SD 3.7Å; Y13-M86 HydrophobicContact CE2-CE 3.51Å; Y13-M86 HydrophobicContact CE2-SD 3.6Å; Y13-M86 VanDerWaalsContact CE2-SD 3.6Å; L25-M86 HydrophobicContact CD2-CG 4.38Å; L25-M86 HydrophobicContact CD2-SD 4.27Å; A82-M86 PolarHBondContact O-N 2.8Å; L83-M86 WeakPolarHBondContact O-CB 3.43Å; L83-M86 PolarHBondContact O-N 2.91Å; L84-M86 VanDerWaalsContact C-N 3.34Å; L84-M86 PolarHBondContact O-N 3.05Å; M86-L90 VanDerWaalsContact O-CG 3.3Å; M86-L90 WeakPolarHBondContact O-CG 3.37Å; M86-L90 PolarHBondContact O-N 3Å
87A88.3Confident86Confident0 Ų046.9 Ų46.90%025%0.249CC..Hα-helixtrans-68.1-42.417400000112.1L29 F71 F78 L83 L84 R85 L90 L91L29-A87 HydrophobicContact CD1-CB 3.87Å; F71-A87 HydrophobicContact CE1-CB 4.07Å; F71-A87 HydrophobicContact CE2-CB 4.45Å; F71-A87 HydrophobicContact CZ-CB 3.71Å; F78-A87 HydrophobicContact CE1-CB 3.53Å; F78-A87 HydrophobicContact CZ-CB 3.51Å; L83-A87 PolarHBondContact O-N 3.32Å; L84-A87 PolarHBondContact O-N 3.3Å; R85-A87 VanDerWaalsContact C-N 3.31Å; R85-A87 PolarHBondContact O-N 2.96Å; A87-L90 PolarHBondContact O-N 3.02Å; A87-L91 WeakPolarHBondContact O-CG 3.47Å; A87-L91 PolarHBondContact O-N 2.97Å
88N88.3Confident85.9Confident38 Ų3845.1 Ų45.120%0.20324%0.243CC..Hα-helixtrans-65.1-38.9173-87.8-39.5000112.2E68 L84 R85 L90 L91 A92E68-N88 PolarHBondContact OE1-ND2 3.39Å; E68-N88 PolarHBondContact OE2-ND2 3.25Å; L84-N88 PolarHBondContact O-N 3.19Å; R85-N88 CarbonylContact O-C 3.57Å; R85-N88 PolarHBondContact O-N 3.19Å; N88-L90 PolarHBondContact O-N 3.32Å; N88-L91 CarbonylContact O-C 3.44Å; N88-L91 PolarHBondContact O-N 2.85Å; N88-L91 VanDerWaalsContact O-N 3.16Å; N88-A92 WeakPolarHBondContact O-CB 3.25Å; N88-A92 PolarHBondContact O-N 3.28Å
89D87.1Confident85.3Confident74 Ų7449.1 Ų49.140%0.39627%0.269SS..Hα-helixtrans-64-35.6174.8-81-50.1000112.9R85 L91 R94R85-D89 WeakPolarHBondContact O-CB 3.34Å; R85-D89 PolarHBondContact O-N 3.28Å; D89-L91 VanDerWaalsContact C-N 3.31Å; D89-R94 IonicContact OD1-CZ 3.26Å; D89-R94 VanDerWaalsContact OD1-CZ 3.25Å; D89-R94 IonicContact OD1-NH1 3.94Å; D89-R94 PolarHBondContact OD1-NH1 3.1Å; D89-R94 IonicContact OD1-NH2 3.43Å; D89-R94 PolarHBondContact OD1-NH2 3.3Å
90L86.9Confident84.4Confident24 Ų2455 Ų5513%0.12630%0.297CS..Hα-helixtrans-68.7-30173.3-74.6168.5000112.4K26 L29 M86 A87 N88 F134K26-L90 HydrophobicContact CG-CD1 4.25Å; K26-L90 HydrophobicContact CG-CD2 4.5Å; L29-L90 HydrophobicContact CD1-CD1 4.01Å; M86-L90 VanDerWaalsContact O-CG 3.3Å; M86-L90 WeakPolarHBondContact O-CG 3.37Å; M86-L90 PolarHBondContact O-N 3Å; A87-L90 PolarHBondContact O-N 3.02Å; N88-L90 PolarHBondContact O-N 3.32Å; L90-F134 HydrophobicContact CB-CD1 4.27Å; L90-F134 HydrophobicContact CB-CE1 4.3Å; L90-F134 HydrophobicContact CD2-CD2 4.34Å; L90-F134 HydrophobicContact CD2-CE2 4.45Å; L90-F134 WeakPolarHBondContact O-CB 3.45Å
91L86Confident83.4Confident24 Ų2462.4 Ų62.413%0.12633%0.329CS..Hα-helixtrans-95.2-0.7179.5-65.2171.8000113.6F33 L34 F71 A87 N88 D89 F134F33-L91 HydrophobicContact CD1-CD1 3.81Å; F33-L91 HydrophobicContact CD1-CD2 3.6Å; F33-L91 HydrophobicContact CD1-CG 4.39Å; F33-L91 HydrophobicContact CD2-CD1 4.1Å; F33-L91 HydrophobicContact CE1-CD1 3.68Å; F33-L91 HydrophobicContact CE1-CD2 3.82Å; F33-L91 HydrophobicContact CE1-CG 4.36Å; F33-L91 HydrophobicContact CE2-CD1 3.96Å; F33-L91 HydrophobicContact CG-CD1 4.03Å; F33-L91 HydrophobicContact CG-CD2 4.34Å; F33-L91 HydrophobicContact CZ-CD1 3.76Å; L34-L91 HydrophobicContact CD2-CD2 4.21Å; F71-L91 HydrophobicContact CE1-CD1 3.74Å; F71-L91 HydrophobicContact CZ-CD1 3.81Å; A87-L91 WeakPolarHBondContact O-CG 3.47Å; A87-L91 PolarHBondContact O-N 2.97Å; N88-L91 CarbonylContact O-C 3.44Å; N88-L91 PolarHBondContact O-N 2.85Å; N88-L91 VanDerWaalsContact O-N 3.16Å; D89-L91 VanDerWaalsContact C-N 3.31Å; L91-F134 HydrophobicContact CD2-CD1 4.05Å; L91-F134 HydrophobicContact CD2-CE1 4.14Å
92A86Confident82.4Confident24 Ų2464.8 Ų64.820%0.19833%0.334CS..  trans-73.9127.3-178.400000111.8N88 R94N88-A92 WeakPolarHBondContact O-CB 3.25Å; N88-A92 PolarHBondContact O-N 3.28Å; A92-R94 VanDerWaalsContact C-N 3.3Å; A92-R94 HydrophobicContact CB-CG 4.1Å; A92-R94 PolarHBondContact O-N 3.48Å
93F82.4Confident81.7Confident50 Ų5063.3 Ų63.322%0.21932%0.319CS..EExtended strand (participates in β ladder)trans-74.581.9173.4-59.5-72.6000110.3F105 F108 L111 P135F93-F105 HydrophobicContact CB-CB 4.05Å; F93-F105 PolarHBondContact O-N 3.38Å; F93-F108 HydrophobicContact CD1-CB 4.05Å; F93-F108 AromaticContact CD1-CD2 3.98Å; F93-F108 HydrophobicContact CD1-CD2 3.98Å; F93-F108 HydrophobicContact CE1-CB 3.55Å; F93-F108 AromaticContact CE1-CD2 3.86Å; F93-F108 HydrophobicContact CE1-CD2 3.86Å; F93-F108 HydrophobicContact CE1-CG 4.16Å; F93-F108 HydrophobicContact CZ-CB 3.96Å; F93-L111 HydrophobicContact CB-CB 4.28Å; F93-L111 HydrophobicContact CB-CD2 3.98Å; F93-L111 HydrophobicContact CD1-CD2 4.23Å; F93-P135 HydrophobicContact CD1-CB 3.65Å; F93-P135 HydrophobicContact CD1-CG 3.82Å; F93-P135 HydrophobicContact CE1-CB 3.97Å; F93-P135 HydrophobicContact CE1-CG 3.62Å; F93-P135 HydrophobicContact CG-CB 4.44Å; F93-P135 HydrophobicContact CZ-CG 4.34Å
94R83.3Confident81.2Confident92 Ų9269.2 Ų69.235%0.34735%0.347SS..EExtended strand (participates in β ladder)trans-99.7133.5178.2-67.8-172.5175.8125.6-1.4112.1D89 A92 N103 E104D89-R94 IonicContact OD1-CZ 3.26Å; D89-R94 VanDerWaalsContact OD1-CZ 3.25Å; D89-R94 IonicContact OD1-NH1 3.94Å; D89-R94 PolarHBondContact OD1-NH1 3.1Å; D89-R94 IonicContact OD1-NH2 3.43Å; D89-R94 PolarHBondContact OD1-NH2 3.3Å; A92-R94 VanDerWaalsContact C-N 3.3Å; A92-R94 HydrophobicContact CB-CG 4.1Å; A92-R94 PolarHBondContact O-N 3.48Å; R94-N103 CarbonylContact C-O 3.54Å; R94-N103 VanDerWaalsContact CA-O 3.3Å; R94-N103 WeakPolarHBondContact CA-O 3.48Å; R94-E104 HydrophobicContact CG-CG 4.33Å; R94-E104 IonicContact CZ-OE1 2.7Å; R94-E104 IonicContact NE-OE1 3.18Å; R94-E104 PolarHBondContact NE-OE1 2.94Å; R94-E104 IonicContact NH2-OE1 3.64Å; R94-E104 PolarHBondContact NH2-OE1 3.16Å
95C83.4Confident80.9Confident6 Ų670.8 Ų70.84%0.04135%0.353CS..  trans-68.9141.3164.1175.30000110.8V97 C98 N103 F105 L111 H114 M115C95-V97 PolarHBondContact SG-N 3.42Å; C95-C98 PolarHBondContact SG-N 3.23Å; C95-N103 HydrophobicContact CB-CB 4.2Å; C95-N103 WeakPolarHBondContact CB-OD1 3.39Å; C95-N103 PolarHBondContact N-O 3.1Å; C95-N103 PolarHBondContact O-ND2 3.1Å; C95-F105 HydrophobicContact CB-CE2 4.09Å; C95-L111 HydrophobicContact CB-CD1 4.25Å; C95-H114 WeakPolarHBondContact CB-NE2 3.47Å; C95-H114 PolarHBondContact SG-NE2 3.07Å; C95-M115 HydrophobicContact CB-CE 3.89Å; C95-M115 WeakPolarHBondContact SG-CE 3.46Å
96S79.4Confident80.3Confident80 Ų8072.7 Ų72.756%0.55937%0.368SS*.SBendtrans-99.4-4.1178.854.20000114.3
97V83Confident80.1Confident72 Ų7272.7 Ų72.744%0.43637%0.369SS..SBendtrans-120.4-31.5-169.3-1710000113.1C95 H119 L121C95-V97 PolarHBondContact SG-N 3.42Å; V97-H119 WeakPolarHBondContact CG1-ND1 3.4Å; V97-L121 HydrophobicContact CG2-CD1 4.34Å
98C84.1Confident79.9Confident23 Ų2374.3 Ų74.316%0.15538%0.377CS..SBendtrans-78.8167.3171-98.70000111.5C95 N103C95-C98 PolarHBondContact SG-N 3.23Å; C98-N103 WeakPolarHBondContact CA-OD1 3.39Å; C98-N103 WeakPolarHBondContact CB-OD1 3.21Å; C98-N103 PolarHBondContact O-ND2 3.31Å; C98-N103 PolarHBondContact O-OD1 2.93Å; C98-N103 VanDerWaalsContact O-OD1 3.07Å
99P76.4Confident79.8Confident85 Ų8576.2 Ų76.255%0.55239%0.393SS*.  trans-74.8153.3172.332.5-35.4000111.7E101 E102 N103P99-E101 PolarHBondContact O-N 3.01Å; P99-E102 PolarHBondContact O-N 2.88Å; P99-N103 VanDerWaalsContact C-ND2 3.35Å; P99-N103 PolarHBondContact O-ND2 2.91Å; P99-N103 PolarHBondContact O-OD1 2.89Å; P99-N103 VanDerWaalsContact O-OD1 3.12Å
100E68.1Low79.8Confident176 Ų17675.5 Ų75.582%0.82239%0.394SS*.G310 helixtrans-50.3-34.5-171.6-62.9177.5164.600114.2E102 N103E100-E102 PolarHBondContact O-N 3.33Å; E100-N103 PolarHBondContact N-ND2 3.46Å; E100-N103 PolarHBondContact O-N 3.14Å
101E62.5Low79.8Confident193 Ų19374.4 Ų74.490%0.90239%0.388SS*.G310 helixtrans-63.8-19-179.2-59-178.4171.300114.9P99P99-E101 PolarHBondContact O-N 3.01Å
102E66.9Low79.8Confident118 Ų11876.8 Ų76.855%0.55140%0.395SS*.G310 helixtrans-124.415177.6-64-168.5168.800113.3P99 E100 K118P99-E102 PolarHBondContact O-N 2.88Å; E100-E102 PolarHBondContact O-N 3.33Å; E102-K118 IonicContact OE2-NZ 3.49Å; E102-K118 PolarHBondContact OE2-NZ 3.32Å
103N72.5Confident79.9Confident16 Ų1676.7 Ų76.79%0.08639%0.394CS..  trans-90.1-19.3-168.2-82.6-9.6000115.8R94 C95 C98 P99 E100 F105R94-N103 CarbonylContact C-O 3.54Å; R94-N103 VanDerWaalsContact CA-O 3.3Å; R94-N103 WeakPolarHBondContact CA-O 3.48Å; C95-N103 HydrophobicContact CB-CB 4.2Å; C95-N103 WeakPolarHBondContact CB-OD1 3.39Å; C95-N103 PolarHBondContact N-O 3.1Å; C95-N103 PolarHBondContact O-ND2 3.1Å; C98-N103 WeakPolarHBondContact CA-OD1 3.39Å; C98-N103 WeakPolarHBondContact CB-OD1 3.21Å; C98-N103 PolarHBondContact O-ND2 3.31Å; C98-N103 PolarHBondContact O-OD1 2.93Å; C98-N103 VanDerWaalsContact O-OD1 3.07Å; P99-N103 VanDerWaalsContact C-ND2 3.35Å; P99-N103 PolarHBondContact O-ND2 2.91Å; P99-N103 PolarHBondContact O-OD1 2.89Å; P99-N103 VanDerWaalsContact O-OD1 3.12Å; E100-N103 PolarHBondContact N-ND2 3.46Å; E100-N103 PolarHBondContact O-N 3.14Å; N103-F105 VanDerWaalsContact O-CD2 3.27Å; N103-F105 WeakPolarHBondContact O-CD2 3.47Å; N103-F105 VanDerWaalsContact O-CE2 3.28Å; N103-F105 WeakPolarHBondContact O-CE2 3.34Å
104E77.4Confident80.3Confident125 Ų12575 Ų7558%0.58439%0.387SS*.EExtended strand (participates in β ladder)trans-93.5125.4-170.7-53.6-155.3136.800112.8R94R94-E104 HydrophobicContact CG-CG 4.33Å; R94-E104 IonicContact CZ-OE1 2.7Å; R94-E104 IonicContact NE-OE1 3.18Å; R94-E104 PolarHBondContact NE-OE1 2.94Å; R94-E104 IonicContact NH2-OE1 3.64Å; R94-E104 PolarHBondContact NH2-OE1 3.16Å
105F80.8Confident80.4Confident47 Ų4770.7 Ų70.721%0.20637%0.371CS..EExtended strand (participates in β ladder)trans-115.9145.7178.3-62.3-84.5000111.1F93 C95 N103 D107 L111 H114F93-F105 HydrophobicContact CB-CB 4.05Å; F93-F105 PolarHBondContact O-N 3.38Å; C95-F105 HydrophobicContact CB-CE2 4.09Å; N103-F105 VanDerWaalsContact O-CD2 3.27Å; N103-F105 WeakPolarHBondContact O-CD2 3.47Å; N103-F105 VanDerWaalsContact O-CE2 3.28Å; N103-F105 WeakPolarHBondContact O-CE2 3.34Å; F105-D107 VanDerWaalsContact C-N 3.34Å; F105-L111 HydrophobicContact CB-CB 4.2Å; F105-L111 HydrophobicContact CD2-CB 4.17Å; F105-L111 HydrophobicContact CD2-CD1 3.75Å; F105-L111 HydrophobicContact CE2-CD1 4.08Å; F105-L111 HydrophobicContact CG-CB 4.19Å; F105-H114 HydrophobicContact CE1-CB 3.82Å; F105-H114 AromaticContact CE1-CG 3.91Å; F105-H114 HydrophobicContact CE2-CB 4.32Å; F105-H114 AromaticContact CE2-CD2 3.38Å; F105-H114 WeakPolarHBondContact CE2-CD2 3.39Å; F105-H114 AromaticContact CE2-CG 3.82Å; F105-H114 AromaticContact CE2-NE2 3.69Å; F105-H114 HydrophobicContact CZ-CB 3.69Å; F105-H114 AromaticContact CZ-CD2 3.33Å; F105-H114 WeakPolarHBondContact CZ-CD2 3.41Å; F105-H114 AromaticContact CZ-CE1 3.7Å; F105-H114 AromaticContact CZ-CG 3.27Å; F105-H114 AromaticContact CZ-ND1 3.51Å; F105-H114 AromaticContact CZ-NE2 3.63Å
106H75.6Confident80.6Confident190 Ų19073.8 Ų73.888%0.8839%0.385SS*.SBendtrans-78.4-19178.8-62.4-41.9000113.8
107D83.5Confident81Confident69 Ų6980 Ų8037%0.36940%0.396SS..SBendtrans-150.5153.1-175.7175.150.5000112F105 S109 S110 L111F105-D107 VanDerWaalsContact C-N 3.34Å; D107-S109 VanDerWaalsContact C-N 3.3Å; D107-S109 PolarHBondContact O-N 3.02Å; D107-S109 WeakPolarHBondContact OD2-CA 3.35Å; D107-S109 WeakPolarHBondContact OD2-CB 3.33Å; D107-S109 PolarHBondContact OD2-N 3.05Å; D107-S109 PolarHBondContact OD2-OG 3.07Å; D107-S110 WeakPolarHBondContact O-CB 3.39Å; D107-S110 PolarHBondContact O-N 3.43Å; D107-S110 VanDerWaalsContact O-N 3.16Å; D107-L111 PolarHBondContact O-N 3.05Å
108F84.2Confident81.2Confident35 Ų3581.1 Ų81.115%0.15440%0.395CS..Hα-helixtrans-59.3-36.7177.7-171.8-112000113.1F93 S110 L111 R112 Y123 I128 F138F93-F108 HydrophobicContact CD1-CB 4.05Å; F93-F108 AromaticContact CD1-CD2 3.98Å; F93-F108 HydrophobicContact CD1-CD2 3.98Å; F93-F108 HydrophobicContact CE1-CB 3.55Å; F93-F108 AromaticContact CE1-CD2 3.86Å; F93-F108 HydrophobicContact CE1-CD2 3.86Å; F93-F108 HydrophobicContact CE1-CG 4.16Å; F93-F108 HydrophobicContact CZ-CB 3.96Å; F108-S110 PolarHBondContact O-N 3.49Å; F108-L111 PolarHBondContact O-N 2.84Å; F108-R112 HydrophobicContact CE1-CB 4.5Å; F108-R112 VanDerWaalsContact O-CB 3.28Å; F108-R112 WeakPolarHBondContact O-CB 3.33Å; F108-R112 PolarHBondContact O-N 3.28Å; F108-Y123 HydrophobicContact CE2-CD2 4.25Å; F108-Y123 AromaticContact CE2-CE2 3.99Å; F108-Y123 HydrophobicContact CE2-CE2 3.99Å; F108-Y123 AromaticContact CZ-CD2 3.78Å; F108-Y123 HydrophobicContact CZ-CD2 3.78Å; F108-Y123 AromaticContact CZ-CE2 3.99Å; F108-Y123 HydrophobicContact CZ-CE2 3.99Å; F108-Y123 HydrophobicContact CZ-CG 4.36Å; F108-I128 HydrophobicContact CE1-CD1 3.76Å; F108-I128 HydrophobicContact CE1-CG1 4.36Å; F108-I128 HydrophobicContact CE1-CG2 3.98Å; F108-I128 HydrophobicContact CZ-CD1 3.62Å; F108-I128 HydrophobicContact CZ-CG1 3.98Å; F108-I128 HydrophobicContact CZ-CG2 4.16Å; F108-F138 HydrophobicContact CD2-CD2 4.45Å; F108-F138 HydrophobicContact CD2-CE2 4.1Å; F108-F138 AromaticContact CE2-CD2 3.7Å; F108-F138 HydrophobicContact CE2-CD2 3.7Å; F108-F138 AromaticContact CE2-CE2 3.62Å; F108-F138 HydrophobicContact CE2-CE2 3.62Å; F108-F138 HydrophobicContact CZ-CD2 4.41Å; F108-F138 HydrophobicContact CZ-CE2 4.28Å
109S86.1Confident81.4Confident78 Ų7882.2 Ų82.255%0.54540%0.398SS..Hα-helixtrans-62.6-36178.6-41.90000111.4D107 A113D107-S109 VanDerWaalsContact C-N 3.3Å; D107-S109 PolarHBondContact O-N 3.02Å; D107-S109 WeakPolarHBondContact OD2-CA 3.35Å; D107-S109 WeakPolarHBondContact OD2-CB 3.33Å; D107-S109 PolarHBondContact OD2-N 3.05Å; D107-S109 PolarHBondContact OD2-OG 3.07Å; S109-A113 WeakPolarHBondContact O-CB 3.47Å; S109-A113 PolarHBondContact O-N 2.97Å
110S87.6Confident81.9Confident59 Ų5985.6 Ų85.641%0.41341%0.406SS..Hα-helixtrans-70.4-44.9176.4-62.30000111.5D107 F108 A113 H114D107-S110 WeakPolarHBondContact O-CB 3.39Å; D107-S110 PolarHBondContact O-N 3.43Å; D107-S110 VanDerWaalsContact O-N 3.16Å; F108-S110 PolarHBondContact O-N 3.49Å; S110-A113 PolarHBondContact O-N 3.07Å; S110-H114 VanDerWaalsContact O-CB 3.28Å; S110-H114 WeakPolarHBondContact O-CB 3.47Å; S110-H114 PolarHBondContact O-N 3.09Å
111L86.1Confident82.9Confident0 Ų078.1 Ų78.10%037%0.372CS..Hα-helixtrans-61.3-44.8174.317762.2000111.5F93 C95 F105 D107 F108 H114 M115F93-L111 HydrophobicContact CB-CB 4.28Å; F93-L111 HydrophobicContact CB-CD2 3.98Å; F93-L111 HydrophobicContact CD1-CD2 4.23Å; C95-L111 HydrophobicContact CB-CD1 4.25Å; F105-L111 HydrophobicContact CB-CB 4.2Å; F105-L111 HydrophobicContact CD2-CB 4.17Å; F105-L111 HydrophobicContact CD2-CD1 3.75Å; F105-L111 HydrophobicContact CE2-CD1 4.08Å; F105-L111 HydrophobicContact CG-CB 4.19Å; D107-L111 PolarHBondContact O-N 3.05Å; F108-L111 PolarHBondContact O-N 2.84Å; L111-H114 WeakPolarHBondContact O-CB 3.4Å; L111-H114 PolarHBondContact O-N 3.15Å; L111-M115 HydrophobicContact CD1-CE 4.08Å; L111-M115 HydrophobicContact CD1-CG 4.41Å; L111-M115 WeakPolarHBondContact O-CG 3.46Å; L111-M115 PolarHBondContact O-N 3.35Å
112R86.6Confident84.1Confident74 Ų7472 Ų7228%0.27934%0.342SS..Hα-helixtrans-59.9-47.5176.7-178.9175.6177.2173.50.9111.7F108 H114 M115 Q116 Y123 E125F108-R112 HydrophobicContact CE1-CB 4.5Å; F108-R112 VanDerWaalsContact O-CB 3.28Å; F108-R112 WeakPolarHBondContact O-CB 3.33Å; F108-R112 PolarHBondContact O-N 3.28Å; R112-H114 VanDerWaalsContact C-N 3.3Å; R112-H114 PolarHBondContact O-N 3.25Å; R112-M115 PolarHBondContact O-N 2.76Å; R112-Q116 VanDerWaalsContact O-CG 3.29Å; R112-Q116 WeakPolarHBondContact O-CG 3.44Å; R112-Q116 PolarHBondContact O-N 3.31Å; R112-Q116 VanDerWaalsContact O-N 3.15Å; R112-Y123 HydrophobicContact CB-CD2 4.45Å; R112-Y123 HydrophobicContact CB-CE2 4.42Å; R112-Y123 HydrophobicContact CG-CD2 4.35Å; R112-E125 IonicContact CZ-OE1 2.8Å; R112-E125 IonicContact NH1-OE1 3.81Å; R112-E125 IonicContact NH2-OE1 3.5Å; R112-E125 PolarHBondContact NH2-OE1 3.26Å
113A87.6Confident85Confident22 Ų2267.2 Ų67.218%0.18232%0.319CS..Hα-helixtrans-65-3417600000112.5S109 S110 R117S109-A113 WeakPolarHBondContact O-CB 3.47Å; S109-A113 PolarHBondContact O-N 2.97Å; S110-A113 PolarHBondContact O-N 3.07Å; A113-R117 VanDerWaalsContact O-CB 3.3Å; A113-R117 WeakPolarHBondContact O-CB 3.1Å; A113-R117 WeakPolarHBondContact O-CD 3.29Å; A113-R117 WeakPolarHBondContact O-CG 3.47Å; A113-R117 PolarHBondContact O-N 3.49Å; A113-R117 VanDerWaalsContact O-N 3.13Å
114H90.4Very high85.6Confident15 Ų1566.5 Ų66.57%0.06932%0.316CS..Hα-helixtrans-69-46.3175.3165.379.3000112.5C95 F105 S110 L111 R112 Q116 R117 K118 H119C95-H114 WeakPolarHBondContact CB-NE2 3.47Å; C95-H114 PolarHBondContact SG-NE2 3.07Å; F105-H114 HydrophobicContact CE1-CB 3.82Å; F105-H114 AromaticContact CE1-CG 3.91Å; F105-H114 HydrophobicContact CE2-CB 4.32Å; F105-H114 AromaticContact CE2-CD2 3.38Å; F105-H114 WeakPolarHBondContact CE2-CD2 3.39Å; F105-H114 AromaticContact CE2-CG 3.82Å; F105-H114 AromaticContact CE2-NE2 3.69Å; F105-H114 HydrophobicContact CZ-CB 3.69Å; F105-H114 AromaticContact CZ-CD2 3.33Å; F105-H114 WeakPolarHBondContact CZ-CD2 3.41Å; F105-H114 AromaticContact CZ-CE1 3.7Å; F105-H114 AromaticContact CZ-CG 3.27Å; F105-H114 AromaticContact CZ-ND1 3.51Å; F105-H114 AromaticContact CZ-NE2 3.63Å; S110-H114 VanDerWaalsContact O-CB 3.28Å; S110-H114 WeakPolarHBondContact O-CB 3.47Å; S110-H114 PolarHBondContact O-N 3.09Å; L111-H114 WeakPolarHBondContact O-CB 3.4Å; L111-H114 PolarHBondContact O-N 3.15Å; R112-H114 VanDerWaalsContact C-N 3.3Å; R112-H114 PolarHBondContact O-N 3.25Å; H114-Q116 VanDerWaalsContact C-N 3.34Å; H114-Q116 PolarHBondContact O-N 3.47Å; H114-R117 PolarHBondContact O-N 3.22Å; H114-K118 PolarHBondContact O-N 3.06Å; H114-H119 AromaticContact CE1-NE2 3.99Å; H114-H119 AromaticContact NE2-NE2 3.73Å
115M85.8Confident85.9Confident2 Ų263.8 Ų63.81%0.0130%0.303CS..Hα-helixtrans-54.1-49174-74-61.197.500112C95 L111 R112 R117 H119 E120 L121 Y123C95-M115 HydrophobicContact CB-CE 3.89Å; C95-M115 WeakPolarHBondContact SG-CE 3.46Å; L111-M115 HydrophobicContact CD1-CE 4.08Å; L111-M115 HydrophobicContact CD1-CG 4.41Å; L111-M115 WeakPolarHBondContact O-CG 3.46Å; L111-M115 PolarHBondContact O-N 3.35Å; R112-M115 PolarHBondContact O-N 2.76Å; M115-R117 PolarHBondContact O-N 2.89Å; M115-H119 VanDerWaalsContact CE-CD2 3.48Å; M115-H119 WeakPolarHBondContact CE-CD2 3.15Å; M115-H119 CarbonylContact O-C 3.08Å; M115-H119 PolarHBondContact O-N 3.26Å; M115-H119 VanDerWaalsContact O-N 3.14Å; M115-E120 PolarHBondContact O-N 3.46Å; M115-L121 CarbonylContact C-O 3.45Å; M115-L121 HydrophobicContact CB-CB 4.44Å; M115-L121 PolarHBondContact O-N 3.5Å; M115-Y123 HydrophobicContact CB-CE2 4.43Å; M115-Y123 HydrophobicContact CG-CE2 3.85Å; M115-Y123 WeakPolarHBondContact CG-OH 3.21Å
116Q88.6Confident85.9Confident71 Ų7162.4 Ų62.433%0.33230%0.298SS..Hα-helixtrans-64.5-38.1-179.6-69.9174.3-15.300112.4R112 H114 L121 F122R112-Q116 VanDerWaalsContact O-CG 3.29Å; R112-Q116 WeakPolarHBondContact O-CG 3.44Å; R112-Q116 PolarHBondContact O-N 3.31Å; R112-Q116 VanDerWaalsContact O-N 3.15Å; H114-Q116 VanDerWaalsContact C-N 3.34Å; H114-Q116 PolarHBondContact O-N 3.47Å; Q116-L121 PolarHBondContact N-O 2.87Å; Q116-F122 HydrophobicContact CG-CD1 3.92Å; Q116-F122 HydrophobicContact CG-CE1 3.9Å
117R87.9Confident86.3Confident209 Ų20953.7 Ų53.779%0.78926%0.258SS*.Hα-helixtrans-87.9-34.9-173.9-69.6171-171.4162.63.6115.1A113 H114 M115A113-R117 VanDerWaalsContact O-CB 3.3Å; A113-R117 WeakPolarHBondContact O-CB 3.1Å; A113-R117 WeakPolarHBondContact O-CD 3.29Å; A113-R117 WeakPolarHBondContact O-CG 3.47Å; A113-R117 PolarHBondContact O-N 3.49Å; A113-R117 VanDerWaalsContact O-N 3.13Å; H114-R117 PolarHBondContact O-N 3.22Å; M115-R117 PolarHBondContact O-N 2.89Å
118K87.5Confident86.3Confident97 Ų9752.3 Ų52.342%0.42225%0.25SS..Hα-helixtrans-98.5-21.8-177.7-73.4-154-163.2166.20114.2E102 H114E102-K118 IonicContact OE2-NZ 3.49Å; E102-K118 PolarHBondContact OE2-NZ 3.32Å; H114-K118 PolarHBondContact O-N 3.06Å
119H87Confident86Confident45 Ų4557.2 Ų57.221%0.20827%0.274CS..SBendtrans-130.7-4.1-170.6-51.7-62.6000114.2V97 H114 M115 L121V97-H119 WeakPolarHBondContact CG1-ND1 3.4Å; H114-H119 AromaticContact CE1-NE2 3.99Å; H114-H119 AromaticContact NE2-NE2 3.73Å; M115-H119 VanDerWaalsContact CE-CD2 3.48Å; M115-H119 WeakPolarHBondContact CE-CD2 3.15Å; M115-H119 CarbonylContact O-C 3.08Å; M115-H119 PolarHBondContact O-N 3.26Å; M115-H119 VanDerWaalsContact O-N 3.14Å; H119-L121 HydrophobicContact CB-CB 4.27Å; H119-L121 HydrophobicContact CB-CD1 3.85Å; H119-L121 HydrophobicContact CB-CG 3.98Å; H119-L121 PolarHBondContact O-N 3.07Å
120E87.2Confident85.4Confident156 Ų15657.1 Ų57.173%0.72927%0.267SS*.  trans55.829.1-175-52.5-170.9153.100113.1M115 F122M115-E120 PolarHBondContact O-N 3.46Å; E120-F122 WeakPolarHBondContact O-CD2 3.45Å; E120-F122 WeakPolarHBondContact O-CE2 3.45Å
121L89.1Confident85Confident19 Ų1955.9 Ų55.910%0.09926%0.256CS..  trans-102.9142.3-177.2-73.5175.4000111.9V97 M115 Q116 H119 Y140 T142V97-L121 HydrophobicContact CG2-CD1 4.34Å; M115-L121 CarbonylContact C-O 3.45Å; M115-L121 HydrophobicContact CB-CB 4.44Å; M115-L121 PolarHBondContact O-N 3.5Å; Q116-L121 PolarHBondContact N-O 2.87Å; H119-L121 HydrophobicContact CB-CB 4.27Å; H119-L121 HydrophobicContact CB-CD1 3.85Å; H119-L121 HydrophobicContact CB-CG 3.98Å; H119-L121 PolarHBondContact O-N 3.07Å; L121-Y140 HydrophobicContact CD1-CD2 3.49Å; L121-Y140 VanDerWaalsContact CD1-CD2 3.49Å; L121-Y140 HydrophobicContact CD1-CE2 4.02Å; L121-Y140 HydrophobicContact CD1-CG 3.94Å; L121-Y140 HydrophobicContact CD2-CD2 3.83Å; L121-Y140 HydrophobicContact CG-CD2 4.22Å; L121-T142 HydrophobicContact CD2-CG2 4.42Å
122F87.1Confident84.7Confident64 Ų6459.5 Ų59.528%0.28128%0.275SS..BIsolated β-bridgetrans-130.4137.6-174-58.6-94.4000110.5Q116 E120 Y141 R143 L146Q116-F122 HydrophobicContact CG-CD1 3.92Å; Q116-F122 HydrophobicContact CG-CE1 3.9Å; E120-F122 WeakPolarHBondContact O-CD2 3.45Å; E120-F122 WeakPolarHBondContact O-CE2 3.45Å; F122-Y141 PolarHBondContact N-O 3.19Å; F122-Y141 PolarHBondContact O-N 2.91Å; F122-R143 HydrophobicContact CE2-CB 4.38Å; F122-L146 HydrophobicContact CB-CD2 3.8Å
123Y86.4Confident84.6Confident18 Ų1857.8 Ų57.87%0.07127%0.268CS..  trans-88.3156.3170.2-58.3-66.8000110.7F108 R112 M115 I128 F138F108-Y123 HydrophobicContact CE2-CD2 4.25Å; F108-Y123 AromaticContact CE2-CE2 3.99Å; F108-Y123 HydrophobicContact CE2-CE2 3.99Å; F108-Y123 AromaticContact CZ-CD2 3.78Å; F108-Y123 HydrophobicContact CZ-CD2 3.78Å; F108-Y123 AromaticContact CZ-CE2 3.99Å; F108-Y123 HydrophobicContact CZ-CE2 3.99Å; F108-Y123 HydrophobicContact CZ-CG 4.36Å; R112-Y123 HydrophobicContact CB-CD2 4.45Å; R112-Y123 HydrophobicContact CB-CE2 4.42Å; R112-Y123 HydrophobicContact CG-CD2 4.35Å; M115-Y123 HydrophobicContact CB-CE2 4.43Å; M115-Y123 HydrophobicContact CG-CE2 3.85Å; M115-Y123 WeakPolarHBondContact CG-OH 3.21Å; Y123-I128 HydrophobicContact CG-CD1 4.33Å; Y123-F138 HydrophobicContact CD1-CB 3.94Å; Y123-F138 HydrophobicContact CE1-CB 3.68Å
124C86.3Confident84.4Confident2 Ų256.7 Ų56.71%0.01426%0.259CS..  trans-86.6114169.1-167.60000110.6I126 C127 I128 Y141 L146 H149 H163C124-I126 PolarHBondContact O-N 3.24Å; C124-C127 HydrophobicContact CB-CB 4.04Å; C124-C127 WeakPolarHBondContact O-CA 3.39Å; C124-C127 WeakPolarHBondContact O-CB 3.43Å; C124-C127 PolarHBondContact O-N 2.87Å; C124-I128 PolarHBondContact O-N 2.97Å; C124-Y141 HydrophobicContact CB-CE2 4.02Å; C124-L146 HydrophobicContact CB-CD1 3.55Å; C124-H149 WeakPolarHBondContact CB-NE2 3.14Å; C124-H163 VanDerWaalsContact SG-CD2 3.6Å; C124-H163 PolarHBondContact SG-NE2 2.95Å; C124-H163 VanDerWaalsContact SG-NE2 3.39Å
125E83.3Confident84.1Confident67 Ų6756.5 Ų56.531%0.31326%0.259SS..Hα-helixtrans-49-52.5178.8-69.1152.2148.900112.4R112 C127 I128 E129 R150R112-E125 IonicContact CZ-OE1 2.8Å; R112-E125 IonicContact NH1-OE1 3.81Å; R112-E125 IonicContact NH2-OE1 3.5Å; R112-E125 PolarHBondContact NH2-OE1 3.26Å; E125-C127 PolarHBondContact O-N 3.17Å; E125-C127 VanDerWaalsContact O-N 3.16Å; E125-I128 WeakPolarHBondContact O-CB 3.39Å; E125-I128 PolarHBondContact O-N 3.14Å; E125-E129 WeakPolarHBondContact O-CG 3.48Å; E125-E129 PolarHBondContact O-N 3.42Å; E125-R150 IonicContact OE2-CZ 2.78Å; E125-R150 IonicContact OE2-NH1 2.79Å; E125-R150 IonicContact OE2-NH2 3.95Å; E125-R150 PolarHBondContact OE2-NH2 3.36Å
126I81Confident83.8Confident18 Ų1860 Ų609%0.09228%0.284CS..Hα-helixtrans-55.3-36.7177.3-59163.8000112.1C124 N130 H163 R172 L174C124-I126 PolarHBondContact O-N 3.24Å; I126-N130 WeakPolarHBondContact O-CB 3.47Å; I126-N130 PolarHBondContact O-N 3.37Å; I126-N130 VanDerWaalsContact O-N 3.14Å; I126-N130 PolarHBondContact O-ND2 3.33Å; I126-H163 HydrophobicContact CD1-CB 4.06Å; I126-R172 HydrophobicContact CD1-CB 3.64Å; I126-L174 HydrophobicContact CG2-CB 4.09Å; I126-L174 HydrophobicContact CG2-CD1 4.17Å
127C83.1Confident83.6Confident7 Ų759.4 Ų59.45%0.04728%0.281CS..Hα-helixtrans-76.1-29.5176.1-76.60000113.8C124 E125 I131 H149 H163C124-C127 HydrophobicContact CB-CB 4.04Å; C124-C127 WeakPolarHBondContact O-CA 3.39Å; C124-C127 WeakPolarHBondContact O-CB 3.43Å; C124-C127 PolarHBondContact O-N 2.87Å; E125-C127 PolarHBondContact O-N 3.17Å; E125-C127 VanDerWaalsContact O-N 3.16Å; C127-I131 HydrophobicContact CB-CD1 3.95Å; C127-I131 HydrophobicContact CB-CG1 4.46Å; C127-I131 VanDerWaalsContact O-CB 3.25Å; C127-I131 WeakPolarHBondContact O-CB 3.32Å; C127-I131 PolarHBondContact O-N 3.4Å; C127-I131 VanDerWaalsContact O-N 3.13Å; C127-H149 PolarHBondContact SG-NE2 3.4Å; C127-H149 VanDerWaalsContact SG-NE2 3.38Å; C127-H163 PolarHBondContact SG-NE2 3.38Å; C127-H163 VanDerWaalsContact SG-NE2 3.45Å
128I82.7Confident83.3Confident41 Ų4150.9 Ų50.921%0.2125%0.25CC..Hα-helixtrans-71.6-44.9176-63153.5000109.8F108 Y123 C124 E125 F138F108-I128 HydrophobicContact CE1-CD1 3.76Å; F108-I128 HydrophobicContact CE1-CG1 4.36Å; F108-I128 HydrophobicContact CE1-CG2 3.98Å; F108-I128 HydrophobicContact CZ-CD1 3.62Å; F108-I128 HydrophobicContact CZ-CG1 3.98Å; F108-I128 HydrophobicContact CZ-CG2 4.16Å; Y123-I128 HydrophobicContact CG-CD1 4.33Å; C124-I128 PolarHBondContact O-N 2.97Å; E125-I128 WeakPolarHBondContact O-CB 3.39Å; E125-I128 PolarHBondContact O-N 3.14Å; I128-F138 HydrophobicContact CB-CE1 4.37Å; I128-F138 HydrophobicContact CG1-CD1 4.37Å; I128-F138 HydrophobicContact CG1-CE1 4.15Å; I128-F138 HydrophobicContact CG2-CE1 4.3Å; I128-F138 HydrophobicContact CG2-CZ 4.09Å
129E78.9Confident83.1Confident137 Ų13749 Ų4964%0.6425%0.246SC*.Hα-helixtrans-70-38.4-176.4-70.7152.8-158.500112.2E125E125-E129 WeakPolarHBondContact O-CG 3.48Å; E125-E129 PolarHBondContact O-N 3.42Å
130N73Confident82.9Confident77 Ų7752 Ų5241%0.41226%0.257SS..Hα-helixtrans-114-4.3-168.6-54.1-88.4000114.9I126 L174I126-N130 WeakPolarHBondContact O-CB 3.47Å; I126-N130 PolarHBondContact O-N 3.37Å; I126-N130 VanDerWaalsContact O-N 3.14Å; I126-N130 PolarHBondContact O-ND2 3.33Å; N130-L174 HydrophobicContact CB-CB 4.06Å; N130-L174 HydrophobicContact CB-CD1 4.16Å; N130-L174 HydrophobicContact CB-CD2 3.73Å; N130-L174 HydrophobicContact CB-CG 4.18Å
131I78.8Confident82.9Confident33 Ų3345 Ų4517%0.16922%0.223CC..SBendtrans-122.2118.9177-45177.3000110.8C127 R133 L174C127-I131 HydrophobicContact CB-CD1 3.95Å; C127-I131 HydrophobicContact CB-CG1 4.46Å; C127-I131 VanDerWaalsContact O-CB 3.25Å; C127-I131 WeakPolarHBondContact O-CB 3.32Å; C127-I131 PolarHBondContact O-N 3.4Å; C127-I131 VanDerWaalsContact O-N 3.13Å; I131-R133 HydrophobicContact CB-CG 4.36Å; I131-R133 HydrophobicContact CG2-CG 3.83Å; I131-R133 PolarHBondContact O-N 2.83Å; I131-L174 HydrophobicContact CD1-CD1 3.94Å; I131-L174 HydrophobicContact CG1-CD1 3.79Å; I131-L174 HydrophobicContact CG1-CD2 4.37Å
132L81.5Confident82.8Confident76 Ų7646.8 Ų46.840%0.39824%0.236SC..  trans-73.161.7-177.3-51.9-179.7000113.5R30 L34R30-L132 HydrophobicContact CB-CB 4.49Å; R30-L132 VanDerWaalsContact CD-O 3.29Å; R30-L132 WeakPolarHBondContact CD-O 3.46Å; R30-L132 WeakPolarHBondContact CG-O 3.23Å; L34-L132 HydrophobicContact CB-CB 4.26Å; L34-L132 HydrophobicContact CB-CD2 4.02Å; L34-L132 HydrophobicContact CD1-CB 4.49Å
133R83.1Confident82.8Confident37 Ų3753.4 Ų53.414%0.1426%0.259CS..  trans-86.7145.3172.4-52.5-164.5-166.8-162.66110.2L34 I131 E137 F138 V139 D157L34-R133 WeakPolarHBondContact CD1-O 3.34Å; I131-R133 HydrophobicContact CB-CG 4.36Å; I131-R133 HydrophobicContact CG2-CG 3.83Å; I131-R133 PolarHBondContact O-N 2.83Å; R133-E137 HydrophobicContact CB-CB 4.07Å; R133-E137 VanDerWaalsContact CD-O 3.25Å; R133-E137 WeakPolarHBondContact CD-O 2.84Å; R133-F138 HydrophobicContact CB-CD1 3.95Å; R133-F138 HydrophobicContact CB-CE1 3.97Å; R133-V139 VanDerWaalsContact NH1-CG2 3.28Å; R133-D157 IonicContact CZ-OD1 3.66Å; R133-D157 VanDerWaalsContact CZ-OD1 3.26Å; R133-D157 IonicContact NH1-OD1 2.67Å; R133-D157 PolarHBondContact NH1-OD1 3.23Å; R133-D157 IonicContact NH2-OD1 2.67Å; R133-D157 PolarHBondContact NH2-OD1 3.33Å
134F84.6Confident82.8Confident0 Ų060.3 Ų60.30%029%0.291CS..  trans-66.3157.6168-71.7-62.8000111.2K26 L29 R30 L34 L90 L91 S136 E137 F138K26-F134 HydrophobicContact CB-CE2 4.16Å; K26-F134 HydrophobicContact CG-CE2 4.35Å; K26-F134 WeakPolarHBondContact O-CZ 3.4Å; L29-F134 HydrophobicContact CB-CE1 3.94Å; L29-F134 HydrophobicContact CB-CZ 3.75Å; R30-F134 HydrophobicContact CG-CD2 4.31Å; R30-F134 HydrophobicContact CG-CE1 4.31Å; R30-F134 HydrophobicContact CG-CE2 3.67Å; R30-F134 HydrophobicContact CG-CZ 3.67Å; L34-F134 HydrophobicContact CD1-CD1 4.02Å; L34-F134 HydrophobicContact CD1-CE1 4.23Å; L90-F134 HydrophobicContact CB-CD1 4.27Å; L90-F134 HydrophobicContact CB-CE1 4.3Å; L90-F134 HydrophobicContact CD2-CD2 4.34Å; L90-F134 HydrophobicContact CD2-CE2 4.45Å; L90-F134 WeakPolarHBondContact O-CB 3.45Å; L91-F134 HydrophobicContact CD2-CD1 4.05Å; L91-F134 HydrophobicContact CD2-CE1 4.14Å; F134-S136 PolarHBondContact O-N 3.28Å; F134-S136 VanDerWaalsContact O-N 3.1Å; F134-E137 HydrophobicContact CB-CB 4.33Å; F134-E137 HydrophobicContact CB-CG 4.06Å; F134-E137 WeakPolarHBondContact CD2-OE2 3.34Å; F134-E137 PolarHBondContact N-OE2 2.98Å; F134-E137 WeakPolarHBondContact O-CA 3.49Å; F134-E137 WeakPolarHBondContact O-CB 3.47Å; F134-E137 PolarHBondContact O-N 2.9Å; F134-F138 PolarHBondContact O-N 3.41Å
135P83.1Confident82.8Confident11 Ų1163.3 Ų63.37%0.07131%0.307CS..G310 helixtrans-50-35.1174.8-33.339.3000115.1F93 E137F93-P135 HydrophobicContact CD1-CB 3.65Å; F93-P135 HydrophobicContact CD1-CG 3.82Å; F93-P135 HydrophobicContact CE1-CB 3.97Å; F93-P135 HydrophobicContact CE1-CG 3.62Å; F93-P135 HydrophobicContact CG-CB 4.44Å; F93-P135 HydrophobicContact CZ-CG 4.34Å; P135-E137 VanDerWaalsContact C-N 3.35Å
136S78.8Confident82.9Confident75 Ų7561.3 Ų61.352%0.52430%0.298SS..G310 helixtrans-81.7-6.7176.449.20000114.6F134F134-S136 PolarHBondContact O-N 3.28Å; F134-S136 VanDerWaalsContact O-N 3.1Å
137E85.1Confident83Confident58 Ų5862.4 Ų62.427%0.27131%0.31SS..G310 helixtrans-108.31.1179.7-63.9179.2160.600112.8R30 R133 F134 P135 V139R30-E137 IonicContact CZ-OE1 3.15Å; R30-E137 IonicContact CZ-OE2 3.25Å; R30-E137 IonicContact NE-OE2 2.74Å; R30-E137 PolarHBondContact NE-OE2 3.23Å; R30-E137 IonicContact NH2-OE1 2.74Å; R30-E137 PolarHBondContact NH2-OE1 2.99Å; R30-E137 IonicContact NH2-OE2 2.73Å; R30-E137 PolarHBondContact NH2-OE2 2.83Å; R133-E137 HydrophobicContact CB-CB 4.07Å; R133-E137 VanDerWaalsContact CD-O 3.25Å; R133-E137 WeakPolarHBondContact CD-O 2.84Å; F134-E137 HydrophobicContact CB-CB 4.33Å; F134-E137 HydrophobicContact CB-CG 4.06Å; F134-E137 WeakPolarHBondContact CD2-OE2 3.34Å; F134-E137 PolarHBondContact N-OE2 2.98Å; F134-E137 WeakPolarHBondContact O-CA 3.49Å; F134-E137 WeakPolarHBondContact O-CB 3.47Å; F134-E137 PolarHBondContact O-N 2.9Å; P135-E137 VanDerWaalsContact C-N 3.35Å; E137-V139 PolarHBondContact O-N 3.1Å
138F82.4Confident83.1Confident31 Ų3168.4 Ų68.414%0.13633%0.332CS..  trans-69.8117173.4-71.7-51.6000111.3F108 Y123 I128 R133 F134F108-F138 HydrophobicContact CD2-CD2 4.45Å; F108-F138 HydrophobicContact CD2-CE2 4.1Å; F108-F138 AromaticContact CE2-CD2 3.7Å; F108-F138 HydrophobicContact CE2-CD2 3.7Å; F108-F138 AromaticContact CE2-CE2 3.62Å; F108-F138 HydrophobicContact CE2-CE2 3.62Å; F108-F138 HydrophobicContact CZ-CD2 4.41Å; F108-F138 HydrophobicContact CZ-CE2 4.28Å; Y123-F138 HydrophobicContact CD1-CB 3.94Å; Y123-F138 HydrophobicContact CE1-CB 3.68Å; I128-F138 HydrophobicContact CB-CE1 4.37Å; I128-F138 HydrophobicContact CG1-CD1 4.37Å; I128-F138 HydrophobicContact CG1-CE1 4.15Å; I128-F138 HydrophobicContact CG2-CE1 4.3Å; I128-F138 HydrophobicContact CG2-CZ 4.09Å; R133-F138 HydrophobicContact CB-CD1 3.95Å; R133-F138 HydrophobicContact CB-CE1 3.97Å; F134-F138 PolarHBondContact O-N 3.41Å
139V82.3Confident83.3Confident57 Ų5766.4 Ų66.435%0.34532%0.322SS..  trans-71.9133171.6171.80000109.6R133 E137 Y141R133-V139 VanDerWaalsContact NH1-CG2 3.28Å; E137-V139 PolarHBondContact O-N 3.1Å; V139-Y141 HydrophobicContact CG1-CD1 4.19Å; V139-Y141 HydrophobicContact CG1-CE1 3.55Å; V139-Y141 HydrophobicContact CG1-CE2 4.25Å
140Y84.2Confident83.5Confident108 Ų10863 Ų6342%0.42430%0.303SS..  trans-104.1144.317849.2-96.2000110.3L121L121-Y140 HydrophobicContact CD1-CD2 3.49Å; L121-Y140 VanDerWaalsContact CD1-CD2 3.49Å; L121-Y140 HydrophobicContact CD1-CE2 4.02Å; L121-Y140 HydrophobicContact CD1-CG 3.94Å; L121-Y140 HydrophobicContact CD2-CD2 3.83Å; L121-Y140 HydrophobicContact CG-CD2 4.22Å
141Y85.8Confident83.9Confident8 Ų868 Ų683%0.03132%0.316CS..BIsolated β-bridgetrans-126.8148-176.6-51.8-79.7000110.5F122 C124 V139 L145 L146 H149 T154 D157F122-Y141 PolarHBondContact N-O 3.19Å; F122-Y141 PolarHBondContact O-N 2.91Å; C124-Y141 HydrophobicContact CB-CE2 4.02Å; V139-Y141 HydrophobicContact CG1-CD1 4.19Å; V139-Y141 HydrophobicContact CG1-CE1 3.55Å; V139-Y141 HydrophobicContact CG1-CE2 4.25Å; Y141-L145 HydrophobicContact CD1-CB 4.27Å; Y141-L146 HydrophobicContact CD2-CD1 3.98Å; Y141-L146 HydrophobicContact CG-CB 4.45Å; Y141-H149 HydrophobicContact CD1-CB 4.48Å; Y141-H149 HydrophobicContact CE1-CB 4.24Å; Y141-H149 AromaticContact CE1-ND1 3.85Å; Y141-H149 AromaticContact CZ-CE1 3.64Å; Y141-H149 AromaticContact CZ-CG 3.84Å; Y141-H149 AromaticContact CZ-ND1 3.6Å; Y141-H149 AromaticContact CZ-NE2 3.88Å; Y141-H149 PolarHBondContact OH-CE1 2.87Å; Y141-H149 PolarHBondContact OH-ND1 2.86Å; Y141-T154 HydrophobicContact CE1-CG2 4.26Å; Y141-D157 PolarHBondContact OH-OD2 3.47Å; Y141-D157 VanDerWaalsContact OH-OD2 3.13Å
142T87.9Confident83.6Confident58 Ų5871.5 Ų71.536%0.35634%0.339SS..  trans-67.7163.4157.8670000109.3L121 E144 L145 L146L121-T142 HydrophobicContact CD2-CG2 4.42Å; T142-E144 PolarHBondContact O-N 3.24Å; T142-E144 VanDerWaalsContact O-N 3.16Å; T142-L145 HydrophobicContact CG2-CD1 4.27Å; T142-L145 PolarHBondContact O-N 3.37Å; T142-L145 VanDerWaalsContact O-N 3.12Å; T142-L145 WeakPolarHBondContact OG1-CG 3.35Å; T142-L145 PolarHBondContact OG1-N 3.36Å; T142-L146 WeakPolarHBondContact O-CB 3.49Å; T142-L146 PolarHBondContact O-N 3.36Å
143R86.9Confident83.3Confident203 Ų20368.2 Ų68.277%0.76632%0.323SS*.Hα-helixtrans-53.3-37.4178.5-172.8177.1-178.91770.5113.3F122 A147F122-R143 HydrophobicContact CE2-CB 4.38Å; R143-A147 PolarHBondContact O-N 3.42Å
144E85.2Confident82.6Confident162 Ų16267 Ų6776%0.75732%0.32SS*.Hα-helixtrans-71.6-46.6177.4-62.6173.9177.200112.1T142 L146 A147 R148T142-E144 PolarHBondContact O-N 3.24Å; T142-E144 VanDerWaalsContact O-N 3.16Å; E144-L146 VanDerWaalsContact C-N 3.3Å; E144-L146 PolarHBondContact O-N 3.47Å; E144-A147 PolarHBondContact O-N 3.19Å; E144-R148 PolarHBondContact O-N 3.15Å
145L86.2Confident81.7Confident66 Ų6671.3 Ų71.335%0.34636%0.355SS..Hα-helixtrans-62.9-37.6177.7-70.8172.9000111.5Y141 T142 R148 H149Y141-L145 HydrophobicContact CD1-CB 4.27Å; T142-L145 HydrophobicContact CG2-CD1 4.27Å; T142-L145 PolarHBondContact O-N 3.37Å; T142-L145 VanDerWaalsContact O-N 3.12Å; T142-L145 WeakPolarHBondContact OG1-CG 3.35Å; T142-L145 PolarHBondContact OG1-N 3.36Å; L145-R148 PolarHBondContact O-N 2.92Å; L145-H149 WeakPolarHBondContact O-CB 3.17Å; L145-H149 PolarHBondContact O-N 3.5Å
146L85.8Confident80.6Confident24 Ų2478.1 Ų78.113%0.12639%0.391CS..Hα-helixtrans-64.6-42.5175.1-178.457.9000111.7F122 C124 Y141 T142 E144 R148 H149 R150F122-L146 HydrophobicContact CB-CD2 3.8Å; C124-L146 HydrophobicContact CB-CD1 3.55Å; Y141-L146 HydrophobicContact CD2-CD1 3.98Å; Y141-L146 HydrophobicContact CG-CB 4.45Å; T142-L146 WeakPolarHBondContact O-CB 3.49Å; T142-L146 PolarHBondContact O-N 3.36Å; E144-L146 VanDerWaalsContact C-N 3.3Å; E144-L146 PolarHBondContact O-N 3.47Å; L146-R148 VanDerWaalsContact C-N 3.33Å; L146-H149 PolarHBondContact O-N 2.85Å; L146-R150 HydrophobicContact CD1-CG 4.38Å; L146-R150 WeakPolarHBondContact O-CB 3.21Å; L146-R150 WeakPolarHBondContact O-CG 3.36Å; L146-R150 PolarHBondContact O-N 2.9Å
147A84.5Confident79.7Confident42 Ų4274.9 Ų74.935%0.34737%0.368SS..Hα-helixtrans-66.3-34.7176.900000112.3R143 E144 R151R143-A147 PolarHBondContact O-N 3.42Å; E144-A147 PolarHBondContact O-N 3.19Å; A147-R151 WeakPolarHBondContact O-CD 3.45Å; A147-R151 VanDerWaalsContact O-CG 3.32Å; A147-R151 WeakPolarHBondContact O-CG 3.38Å
148R84.9Confident78.4Confident132 Ų13281 Ų8150%0.49839%0.394SS..Hα-helixtrans-69.2-49.6172.2-173.3-178.769.8164.73.6111.5E144 L145 L146 R150 R151 V152E144-R148 PolarHBondContact O-N 3.15Å; L145-R148 PolarHBondContact O-N 2.92Å; L146-R148 VanDerWaalsContact C-N 3.33Å; R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.4Å; R148-R151 PolarHBondContact O-N 3.21Å; R148-V152 PolarHBondContact O-N 2.83Å
149H86.5Confident77.2Confident0 Ų079.7 Ų79.70%039%0.388CS..Hα-helixtrans-54.3-46.5178.1168.886.6000111.8C124 C127 Y141 L145 L146 R151 G153 T154 S159 G162 H163C124-H149 WeakPolarHBondContact CB-NE2 3.14Å; C127-H149 PolarHBondContact SG-NE2 3.4Å; C127-H149 VanDerWaalsContact SG-NE2 3.38Å; Y141-H149 HydrophobicContact CD1-CB 4.48Å; Y141-H149 HydrophobicContact CE1-CB 4.24Å; Y141-H149 AromaticContact CE1-ND1 3.85Å; Y141-H149 AromaticContact CZ-CE1 3.64Å; Y141-H149 AromaticContact CZ-CG 3.84Å; Y141-H149 AromaticContact CZ-ND1 3.6Å; Y141-H149 AromaticContact CZ-NE2 3.88Å; Y141-H149 PolarHBondContact OH-CE1 2.87Å; Y141-H149 PolarHBondContact OH-ND1 2.86Å; L145-H149 WeakPolarHBondContact O-CB 3.17Å; L145-H149 PolarHBondContact O-N 3.5Å; L146-H149 PolarHBondContact O-N 2.85Å; H149-R151 PolarHBondContact O-N 3.39Å; H149-R151 VanDerWaalsContact O-N 3.12Å; H149-G153 VanDerWaalsContact O-CA 3.26Å; H149-G153 WeakPolarHBondContact O-CA 3.48Å; H149-G153 PolarHBondContact O-N 2.92Å; H149-T154 HydrophobicContact CB-CG2 4.22Å; H149-T154 PolarHBondContact ND1-OG1 3.41Å; H149-S159 PolarHBondContact CE1-OG 2.8Å; H149-G162 WeakPolarHBondContact O-CA 3.32Å; H149-H163 AromaticContact NE2-NE2 3.54Å
150R83.6Confident76Confident65 Ų6583.9 Ų83.925%0.24540%0.404CS..Hα-helixtrans-62.4-16.1175.5-76.5-175.4170.2-171.2-3.2115.4E125 L146 R148 H163 R172E125-R150 IonicContact OE2-CZ 2.78Å; E125-R150 IonicContact OE2-NH1 2.79Å; E125-R150 IonicContact OE2-NH2 3.95Å; E125-R150 PolarHBondContact OE2-NH2 3.36Å; L146-R150 HydrophobicContact CD1-CG 4.38Å; L146-R150 WeakPolarHBondContact O-CB 3.21Å; L146-R150 WeakPolarHBondContact O-CG 3.36Å; L146-R150 PolarHBondContact O-N 2.9Å; R148-R150 VanDerWaalsContact C-N 3.34Å; R148-R150 PolarHBondContact O-N 3.4Å; R150-H163 PolarHBondContact O-N 2.92Å; R150-H163 VanDerWaalsContact O-O 3.13Å; R150-R172 PolarHBondContact O-NH1 3.44Å; R150-R172 VanDerWaalsContact O-NH1 3.12Å
151R79.9Confident75Confident183 Ų18387.3 Ų87.369%0.69142%0.416SS*.Hα-helixtrans-110.1-37.6-175.7-69174.5-177174.80.9114.4A147 R148 H149A147-R151 WeakPolarHBondContact O-CD 3.45Å; A147-R151 VanDerWaalsContact O-CG 3.32Å; A147-R151 WeakPolarHBondContact O-CG 3.38Å; R148-R151 PolarHBondContact O-N 3.21Å; H149-R151 PolarHBondContact O-N 3.39Å; H149-R151 VanDerWaalsContact O-N 3.12Å
152V74.3Confident74.3Confident106 Ų10686.9 Ų86.964%0.64242%0.415SS*.Hα-helixtrans-132.8-6.5-169-168.90000111.4R148R148-V152 PolarHBondContact O-N 2.83Å
153G74.3Confident73.9Confident6 Ų684.2 Ų84.26%0.06240%0.398CS..  trans78.4-170.9-17100000113.1H149H149-G153 VanDerWaalsContact O-CA 3.26Å; H149-G153 WeakPolarHBondContact O-CA 3.48Å; H149-G153 PolarHBondContact O-N 2.92Å
154T69.4Low73.2Confident12 Ų1275.7 Ų75.77%0.07437%0.369CS..  trans-133.2134.7173.923.20000107.7Y141 H149 D156 D157Y141-T154 HydrophobicContact CE1-CG2 4.26Å; H149-T154 HydrophobicContact CB-CG2 4.22Å; H149-T154 PolarHBondContact ND1-OG1 3.41Å; T154-D156 PolarHBondContact O-N 3.24Å; T154-D156 VanDerWaalsContact O-N 3.13Å; T154-D157 WeakPolarHBondContact CB-OD2 3.48Å; T154-D157 PolarHBondContact O-N 2.84Å; T154-D157 VanDerWaalsContact O-N 3.09Å; T154-D157 WeakPolarHBondContact OG1-CB 3.08Å; T154-D157 PolarHBondContact OG1-OD2 2.74Å
155A64.2Low72.6Confident91 Ų9170.3 Ų70.375%0.75235%0.349SS*.THydrogen-bonded Turntrans-59.7-27.3-175.100000113.1
156D60.8Low71.9Confident153 Ų15367.6 Ų67.682%0.81834%0.335SS*.THydrogen-bonded Turntrans-87.3-5.8-177.7-43.7-78.4000113.8T154T154-D156 PolarHBondContact O-N 3.24Å; T154-D156 VanDerWaalsContact O-N 3.13Å
157D60.4Low71Confident7 Ų770.6 Ų70.64%0.03736%0.359CS..SBendtrans-112.4149.9-176.6-77.2-77.5000113R133 Y141 T154 S159 Q160R133-D157 IonicContact CZ-OD1 3.66Å; R133-D157 VanDerWaalsContact CZ-OD1 3.26Å; R133-D157 IonicContact NH1-OD1 2.67Å; R133-D157 PolarHBondContact NH1-OD1 3.23Å; R133-D157 IonicContact NH2-OD1 2.67Å; R133-D157 PolarHBondContact NH2-OD1 3.33Å; Y141-D157 PolarHBondContact OH-OD2 3.47Å; Y141-D157 VanDerWaalsContact OH-OD2 3.13Å; T154-D157 WeakPolarHBondContact CB-OD2 3.48Å; T154-D157 PolarHBondContact O-N 2.84Å; T154-D157 VanDerWaalsContact O-N 3.09Å; T154-D157 WeakPolarHBondContact OG1-CB 3.08Å; T154-D157 PolarHBondContact OG1-OD2 2.74Å; D157-S159 PolarHBondContact O-N 3.47Å; D157-Q160 WeakPolarHBondContact O-CG 3.39Å
158K57Low70.1Confident188 Ų18872 Ų7282%0.81736%0.357SS*.SBendtrans-63.3-20.6177.2-63.6-166.6175.5-165.50114.3Q160K158-Q160 PolarHBondContact O-N 3.38Å
159S57.2Low69.5Low2 Ų267.4 Ų67.41%0.01435%0.345CS..  trans-78.458.3172.857.70000110.9H149 D157 R161 G162H149-S159 PolarHBondContact CE1-OG 2.8Å; D157-S159 PolarHBondContact O-N 3.47Å; S159-R161 PolarHBondContact O-N 3.13Å; S159-R161 VanDerWaalsContact O-N 3.09Å; S159-G162 PolarHBondContact O-N 2.87Å; S159-G162 VanDerWaalsContact O-N 3.16Å
160Q57Low68.6Low146 Ų14674.4 Ų74.468%0.68238%0.382SS*.THydrogen-bonded Turntrans-68.3-8.5-167.8-68.5-174.2-37.500114.5D157 K158D157-Q160 WeakPolarHBondContact O-CG 3.39Å; K158-Q160 PolarHBondContact O-N 3.38Å
161R63.8Low68Low179 Ų17974 Ų7468%0.67539%0.387SS*.THydrogen-bonded Turntrans-107.4-1177.9-51.7-169.6-164.9-77.82.6113.8S159S159-R161 PolarHBondContact O-N 3.13Å; S159-R161 VanDerWaalsContact O-N 3.09Å
162G70.8Confident67.6Low0 Ų068.8 Ų68.80%037%0.367CS..  trans76.3-156.7-169.600000112.4H149 S159 L174H149-G162 WeakPolarHBondContact O-CA 3.32Å; S159-G162 PolarHBondContact O-N 2.87Å; S159-G162 VanDerWaalsContact O-N 3.16Å; G162-L174 VanDerWaalsContact O-O 3.14Å
163H78.6Confident67.4Low2 Ų266.2 Ų66.21%0.00935%0.346CS..  trans-121.4103-177.9-67-27.6000109.6C124 I126 C127 H149 R150 R172 Y173 L174C124-H163 VanDerWaalsContact SG-CD2 3.6Å; C124-H163 PolarHBondContact SG-NE2 2.95Å; C124-H163 VanDerWaalsContact SG-NE2 3.39Å; I126-H163 HydrophobicContact CD1-CB 4.06Å; C127-H163 PolarHBondContact SG-NE2 3.38Å; C127-H163 VanDerWaalsContact SG-NE2 3.45Å; H149-H163 AromaticContact NE2-NE2 3.54Å; R150-H163 PolarHBondContact O-N 2.92Å; R150-H163 VanDerWaalsContact O-O 3.13Å; H163-R172 HydrophobicContact CB-CB 4.18Å; H163-R172 PolarHBondContact O-NH1 3.26Å; H163-Y173 VanDerWaalsContact CA-O 3.25Å; H163-Y173 WeakPolarHBondContact CA-O 3.26Å; H163-Y173 WeakPolarHBondContact CB-O 3.3Å; H163-L174 PolarHBondContact ND1-O 3.32Å
164P72.5Confident67.1Low24 Ų2466.8 Ų66.816%0.15635%0.348CS..PPolyproline II helixtrans-62.5140.8-176.425.3-34.2000111R172 Y173 D176P164-R172 CarbonylContact O-C 3.24Å; P164-R172 VanDerWaalsContact O-CA 3.27Å; P164-R172 WeakPolarHBondContact O-CA 3.31Å; P164-Y173 WeakPolarHBondContact CD-O 3.23Å; P164-Y173 PolarHBondContact O-N 3.41Å; P164-D176 WeakPolarHBondContact CB-OD1 3.46Å; P164-D176 WeakPolarHBondContact CG-OD1 3.33Å
165S72.9Confident67Low48 Ų4868.6 Ų68.634%0.33636%0.357SS..BIsolated β-bridgetrans-97.7152174.742.60000111.3V171 R172S165-V171 CarbonylContact C-O 3.58Å; S165-V171 WeakPolarHBondContact CA-O 3.38Å; S165-R172 PolarHBondContact OG-NH2 2.7Å
166C71.8Confident67Low9 Ų967.6 Ų67.66%0.06134%0.339CS..PPolyproline II helixtrans-56149164.21780000110.7F168 C169 V171 H189C166-F168 PolarHBondContact O-N 3.46Å; C166-F168 PolarHBondContact SG-N 3.11Å; C166-C169 WeakPolarHBondContact CB-O 3.42Å; C166-C169 VanDerWaalsContact O-O 3.1Å; C166-V171 PolarHBondContact N-O 2.68Å; C166-H189 WeakPolarHBondContact CB-NE2 3.04Å; C166-H189 PolarHBondContact SG-NE2 3.32Å
167S67Low67.1Low88 Ų8864.3 Ų64.362%0.61532%0.322SS*.SBendtrans-69.5-19.8175.149.10000113.7
168F65.6Low67Low71 Ų7167.5 Ų67.531%0.31134%0.336SS..SBendtrans-115.5-9.2-173.1-50.7-68.8000113.7C166 F190 H194 A210 D212C166-F168 PolarHBondContact O-N 3.46Å; C166-F168 PolarHBondContact SG-N 3.11Å; F168-F190 HydrophobicContact CD2-CD1 4.23Å; F168-F190 AromaticContact CD2-CE1 3.73Å; F168-F190 HydrophobicContact CD2-CE1 3.73Å; F168-F190 HydrophobicContact CD2-CZ 4.3Å; F168-F190 HydrophobicContact CE2-CD1 4.48Å; F168-F190 AromaticContact CE2-CE1 3.88Å; F168-F190 HydrophobicContact CE2-CE1 3.88Å; F168-F190 AromaticContact CE2-CZ 4Å; F168-F190 HydrophobicContact CE2-CZ 4Å; F168-H194 VanDerWaalsContact C-CE1 3.47Å; F168-H194 WeakPolarHBondContact CB-CE1 3.47Å; F168-H194 WeakPolarHBondContact CB-ND1 3.22Å; F168-H194 PolarHBondContact O-CE1 3.3Å; F168-H194 VanDerWaalsContact O-CE1 3.28Å; F168-A210 HydrophobicContact CE2-CB 3.84Å; F168-A210 HydrophobicContact CZ-CB 4.25Å; F168-A210 WeakPolarHBondContact CZ-O 3.49Å; F168-D212 HydrophobicContact CB-CB 4.42Å; F168-D212 HydrophobicContact CD1-CB 4.06Å
169C71.1Confident67Low35 Ų3559.2 Ų59.224%0.23630%0.301CS..SBendtrans-153.8161.2173.764.70000113.3C166 V171 H189 H194C166-C169 WeakPolarHBondContact CB-O 3.42Å; C166-C169 VanDerWaalsContact O-O 3.1Å; C169-V171 PolarHBondContact O-N 2.95Å; C169-H189 PolarHBondContact SG-CE1 3.33Å; C169-H194 PolarHBondContact SG-NE2 2.98Å
170D68.5Low67Low147 Ų14764.3 Ų64.379%0.78632%0.321SS*.SBendtrans-69.84.8-178.7-81.9-55.3000115.6R172D170-R172 PolarHBondContact O-N 3.16Å
171V71.1Confident66.8Low58 Ų5864.6 Ų64.635%0.35232%0.315SS..  trans-64.9131.2177179.10000109.7S165 C166 C169 Y173S165-V171 CarbonylContact C-O 3.58Å; S165-V171 WeakPolarHBondContact CA-O 3.38Å; C166-V171 PolarHBondContact N-O 2.68Å; C169-V171 PolarHBondContact O-N 2.95Å; V171-Y173 HydrophobicContact CB-CE2 4.44Å; V171-Y173 HydrophobicContact CG1-CE2 3.82Å
172R71.6Confident66.2Low73 Ų7360.1 Ų60.128%0.27531%0.305SS..BIsolated β-bridgetrans-119.1140-177.2-74.1-180-173.6-74-23.3112.3I126 R150 H163 P164 S165 D170I126-R172 HydrophobicContact CD1-CB 3.64Å; R150-R172 PolarHBondContact O-NH1 3.44Å; R150-R172 VanDerWaalsContact O-NH1 3.12Å; H163-R172 HydrophobicContact CB-CB 4.18Å; H163-R172 PolarHBondContact O-NH1 3.26Å; P164-R172 CarbonylContact O-C 3.24Å; P164-R172 VanDerWaalsContact O-CA 3.27Å; P164-R172 WeakPolarHBondContact O-CA 3.31Å; S165-R172 PolarHBondContact OG-NH2 2.7Å; D170-R172 PolarHBondContact O-N 3.16Å
173Y70.4Confident65.5Low52 Ų5268 Ų6820%0.20433%0.334CS..  trans-109.1165.2-177.4-61-96000110.2H163 P164 V171 L179 H189H163-Y173 VanDerWaalsContact CA-O 3.25Å; H163-Y173 WeakPolarHBondContact CA-O 3.26Å; H163-Y173 WeakPolarHBondContact CB-O 3.3Å; P164-Y173 WeakPolarHBondContact CD-O 3.23Å; P164-Y173 PolarHBondContact O-N 3.41Å; V171-Y173 HydrophobicContact CB-CE2 4.44Å; V171-Y173 HydrophobicContact CG1-CE2 3.82Å; Y173-L179 HydrophobicContact CD2-CB 4.43Å; Y173-L179 HydrophobicContact CD2-CD1 3.67Å; Y173-L179 HydrophobicContact CE2-CD1 3.62Å; Y173-L179 HydrophobicContact CG-CB 4.29Å; Y173-L179 HydrophobicContact CG-CD1 4.22Å; Y173-H189 PolarHBondContact OH-CE1 3.34Å; Y173-H189 PolarHBondContact OH-ND1 3.07Å
174L68.4Low64.7Low17 Ų1774.2 Ų74.29%0.08936%0.364CS..SBendtrans-61.8-54.7-177.8177.169.6000111.9I126 N130 I131 G162 H163 Q178I126-L174 HydrophobicContact CG2-CB 4.09Å; I126-L174 HydrophobicContact CG2-CD1 4.17Å; N130-L174 HydrophobicContact CB-CB 4.06Å; N130-L174 HydrophobicContact CB-CD1 4.16Å; N130-L174 HydrophobicContact CB-CD2 3.73Å; N130-L174 HydrophobicContact CB-CG 4.18Å; I131-L174 HydrophobicContact CD1-CD1 3.94Å; I131-L174 HydrophobicContact CG1-CD1 3.79Å; I131-L174 HydrophobicContact CG1-CD2 4.37Å; G162-L174 VanDerWaalsContact O-O 3.14Å; H163-L174 PolarHBondContact ND1-O 3.32Å; L174-Q178 HydrophobicContact CB-CB 4.48Å; L174-Q178 HydrophobicContact CB-CG 4.13Å
175D67.3Low64.2Low51 Ų5179.2 Ų79.227%0.27339%0.385SS..SBendtrans-139.8165.9-177.1-61.6-63.2000108.1D177 Q178 L179D175-D177 HydrophobicContact CB-CB 4.14Å; D175-D177 PolarHBondContact O-N 3.36Å; D175-Q178 PolarHBondContact O-N 3.48Å; D175-L179 PolarHBondContact O-N 3.31Å
176D62.5Low63.7Low69 Ų6977.6 Ų77.637%0.36937%0.372SS..Hα-helixtrans-56.9-36.9172.4-57-64.8000110.6P164 Q178 L179 Y180P164-D176 WeakPolarHBondContact CB-OD1 3.46Å; P164-D176 WeakPolarHBondContact CG-OD1 3.33Å; D176-Q178 VanDerWaalsContact C-N 3.28Å; D176-Q178 PolarHBondContact O-N 3.18Å; D176-L179 WeakPolarHBondContact O-CA 3.5Å; D176-L179 WeakPolarHBondContact O-CB 3.47Å; D176-L179 PolarHBondContact O-N 3.43Å; D176-Y180 HydrophobicContact CB-CD2 4.19Å; D176-Y180 HydrophobicContact CB-CE2 4.21Å; D176-Y180 WeakPolarHBondContact O-CD2 3.48Å; D176-Y180 PolarHBondContact O-N 3.45Å
177D62.8Low63.4Low85 Ų8578.2 Ų78.246%0.45538%0.376SS..Hα-helixtrans-48.4-44.7169.2-108.352.2000112.6D175 L179 Y180 R181D175-D177 HydrophobicContact CB-CB 4.14Å; D175-D177 PolarHBondContact O-N 3.36Å; D177-L179 VanDerWaalsContact C-N 3.35Å; D177-Y180 PolarHBondContact O-N 3.5Å; D177-R181 HydrophobicContact CB-CG 4.45Å; D177-R181 WeakPolarHBondContact O-CA 3.29Å; D177-R181 WeakPolarHBondContact O-CB 3.35Å; D177-R181 WeakPolarHBondContact O-CD 3.35Å; D177-R181 WeakPolarHBondContact O-CG 3.43Å; D177-R181 PolarHBondContact O-N 2.92Å; D177-R181 IonicContact OD2-CZ 3.76Å; D177-R181 IonicContact OD2-NE 3.72Å; D177-R181 PolarHBondContact OD2-NE 3.12Å; D177-R181 IonicContact OD2-NH2 3.63Å; D177-R181 PolarHBondContact OD2-NH2 3.05Å
178Q58.9Low63.5Low74 Ų7477.3 Ų77.335%0.34636%0.364SS..Hα-helixtrans-79.1-16.4179.4-69.2-69.611.800113.8L174 D175 D176L174-Q178 HydrophobicContact CB-CB 4.48Å; L174-Q178 HydrophobicContact CB-CG 4.13Å; D175-Q178 PolarHBondContact O-N 3.48Å; D176-Q178 VanDerWaalsContact C-N 3.28Å; D176-Q178 PolarHBondContact O-N 3.18Å
179L56.7Low63.8Low14 Ų1474.7 Ų74.77%0.07335%0.352CS..Hα-helixtrans-76.4-33.1168.7-178.764.3000111.4Y173 D175 D176 D177 L186Y173-L179 HydrophobicContact CD2-CB 4.43Å; Y173-L179 HydrophobicContact CD2-CD1 3.67Å; Y173-L179 HydrophobicContact CE2-CD1 3.62Å; Y173-L179 HydrophobicContact CG-CB 4.29Å; Y173-L179 HydrophobicContact CG-CD1 4.22Å; D175-L179 PolarHBondContact O-N 3.31Å; D176-L179 WeakPolarHBondContact O-CA 3.5Å; D176-L179 WeakPolarHBondContact O-CB 3.47Å; D176-L179 PolarHBondContact O-N 3.43Å; D177-L179 VanDerWaalsContact C-N 3.35Å; L179-L186 HydrophobicContact CD1-CD1 3.75Å; L179-L186 HydrophobicContact CG-CD1 4.32Å
180Y57.6Low63.8Low109 Ų10973.6 Ų73.643%0.42734%0.344SS..Hα-helixtrans-111.5-16.5-171.8-60.2-62.1000116.4D176 D177 N182 L186D176-Y180 HydrophobicContact CB-CD2 4.19Å; D176-Y180 HydrophobicContact CB-CE2 4.21Å; D176-Y180 WeakPolarHBondContact O-CD2 3.48Å; D176-Y180 PolarHBondContact O-N 3.45Å; D177-Y180 PolarHBondContact O-N 3.5Å; Y180-N182 CarbonylContact O-C 3.54Å; Y180-N182 PolarHBondContact O-N 3.43Å; Y180-L186 HydrophobicContact CD1-CD2 3.93Å; Y180-L186 HydrophobicContact CE1-CD2 4Å
181R53.7Low63.9Low151 Ų15172.7 Ų72.757%0.5733%0.329SS*.SBendtrans-55.7-17.4-170.6-100.9167.5-172.4-1673.8116.2D177D177-R181 HydrophobicContact CB-CG 4.45Å; D177-R181 WeakPolarHBondContact O-CA 3.29Å; D177-R181 WeakPolarHBondContact O-CB 3.35Å; D177-R181 WeakPolarHBondContact O-CD 3.35Å; D177-R181 WeakPolarHBondContact O-CG 3.43Å; D177-R181 PolarHBondContact O-N 2.92Å; D177-R181 IonicContact OD2-CZ 3.76Å; D177-R181 IonicContact OD2-NE 3.72Å; D177-R181 PolarHBondContact OD2-NE 3.12Å; D177-R181 IonicContact OD2-NH2 3.63Å; D177-R181 PolarHBondContact OD2-NH2 3.05Å
182N50.6Low63.8Low85 Ų8576.1 Ų76.146%0.45535%0.346SS..  trans-140.5122.1164.8-93.8-56.6000109.1Y180 Q184 H185 L186Y180-N182 CarbonylContact O-C 3.54Å; Y180-N182 PolarHBondContact O-N 3.43Å; N182-Q184 HydrophobicContact CB-CB 4.4Å; N182-Q184 PolarHBondContact O-N 3.04Å; N182-H185 HydrophobicContact CB-CB 4.13Å; N182-H185 PolarHBondContact O-N 3.46Å; N182-L186 PolarHBondContact O-N 3.21Å
183R56.8Low63.6Low166 Ų16677.9 Ų77.963%0.62636%0.357SS*.Hα-helixtrans-48.2-35.4164.9-175.8176.868.7158.9-2.7110.8V187 P206R183-V187 HydrophobicContact CG-CG2 4.06Å; R183-V187 WeakPolarHBondContact O-CB 3.42Å; R183-V187 WeakPolarHBondContact O-CG2 3.5Å; R183-V187 PolarHBondContact O-N 2.78Å; R183-P206 VanDerWaalsContact CD-O 3.31Å; R183-P206 WeakPolarHBondContact CD-O 3.3Å
184Q60Low63.9Low133 Ų13376.3 Ų76.362%0.62135%0.351SS*.Hα-helixtrans-63.1-38175.6-57.5-176.411.100113.7N182 N188N182-Q184 HydrophobicContact CB-CB 4.4Å; N182-Q184 PolarHBondContact O-N 3.04Å; Q184-N188 WeakPolarHBondContact O-CB 3.44Å; Q184-N188 PolarHBondContact O-N 3.17Å; Q184-N188 PolarHBondContact O-ND2 3.36Å; Q184-N188 PolarHBondContact O-OD1 2.92Å
185H62Low64.3Low129 Ų12978.8 Ų78.860%0.59736%0.362SS*.Hα-helixtrans-72.4-44.2178.6-86.5-112.2000111.5N182 N188 H189N182-H185 HydrophobicContact CB-CB 4.13Å; N182-H185 PolarHBondContact O-N 3.46Å; H185-N188 PolarHBondContact O-N 3.02Å; H185-H189 WeakPolarHBondContact O-CB 3.42Å; H185-H189 PolarHBondContact O-N 3.36Å
186L62.6Low64.7Low13 Ų1377.4 Ų77.47%0.06836%0.355CS..Hα-helixtrans-65.2-43.8176.4-170.762.7000111.5L179 Y180 N182 H189 F190 L207L179-L186 HydrophobicContact CD1-CD1 3.75Å; L179-L186 HydrophobicContact CG-CD1 4.32Å; Y180-L186 HydrophobicContact CD1-CD2 3.93Å; Y180-L186 HydrophobicContact CE1-CD2 4Å; N182-L186 PolarHBondContact O-N 3.21Å; L186-H189 PolarHBondContact O-N 2.86Å; L186-F190 HydrophobicContact CD1-CD1 4.48Å; L186-F190 HydrophobicContact CD1-CD2 4.43Å; L186-F190 HydrophobicContact CD1-CE1 3.89Å; L186-F190 HydrophobicContact CD1-CE2 3.86Å; L186-F190 HydrophobicContact CD1-CZ 3.56Å; L186-F190 HydrophobicContact CD2-CE2 3.94Å; L186-F190 HydrophobicContact CD2-CZ 4.24Å; L186-F190 HydrophobicContact CG-CD2 4.02Å; L186-F190 HydrophobicContact CG-CE1 4.48Å; L186-F190 HydrophobicContact CG-CE2 3.57Å; L186-F190 HydrophobicContact CG-CZ 3.84Å; L186-F190 WeakPolarHBondContact O-CB 3.22Å; L186-F190 VanDerWaalsContact O-CG 3.3Å; L186-F190 WeakPolarHBondContact O-CG 3.26Å; L186-F190 PolarHBondContact O-N 3.13Å; L186-L207 HydrophobicContact CD2-CD2 4.3Å
187V65.3Low65.4Low23 Ų2374.3 Ų74.314%0.13934%0.339CS..Hα-helixtrans-64.4-40.1173.81690000111.6R183 F190 R191 L196R183-V187 HydrophobicContact CG-CG2 4.06Å; R183-V187 WeakPolarHBondContact O-CB 3.42Å; R183-V187 WeakPolarHBondContact O-CG2 3.5Å; R183-V187 PolarHBondContact O-N 2.78Å; V187-F190 CarbonylContact O-C 3.57Å; V187-F190 PolarHBondContact O-N 3.08Å; V187-R191 HydrophobicContact CG1-CG 4.29Å; V187-R191 WeakPolarHBondContact O-CB 3.45Å; V187-R191 VanDerWaalsContact O-CG 3.3Å; V187-R191 WeakPolarHBondContact O-CG 3.45Å; V187-R191 PolarHBondContact O-N 3.42Å; V187-L196 HydrophobicContact CG1-CD1 3.94Å; V187-L196 WeakPolarHBondContact O-CD1 3.46Å
188N69.4Low66Low68 Ų6875.1 Ų75.136%0.36434%0.34SS..Hα-helixtrans-68.2-36.8176.7-72.9-10.3000111.8Q184 H185 R191 N192Q184-N188 WeakPolarHBondContact O-CB 3.44Å; Q184-N188 PolarHBondContact O-N 3.17Å; Q184-N188 PolarHBondContact O-ND2 3.36Å; Q184-N188 PolarHBondContact O-OD1 2.92Å; H185-N188 PolarHBondContact O-N 3.02Å; N188-R191 PolarHBondContact O-N 2.97Å; N188-N192 WeakPolarHBondContact O-CB 3.34Å; N188-N192 PolarHBondContact O-N 2.67Å; N188-N192 PolarHBondContact O-ND2 3Å; N188-N192 PolarHBondContact O-OD1 3.45Å
189H72.8Confident66.6Low16 Ų1674.9 Ų74.97%0.07434%0.338CS..Hα-helixtrans-61.3-50.2170.417265.3000111.1C166 C169 Y173 H185 L186 R191 N192 Q193 H194C166-H189 WeakPolarHBondContact CB-NE2 3.04Å; C166-H189 PolarHBondContact SG-NE2 3.32Å; C169-H189 PolarHBondContact SG-CE1 3.33Å; Y173-H189 PolarHBondContact OH-CE1 3.34Å; Y173-H189 PolarHBondContact OH-ND1 3.07Å; H185-H189 WeakPolarHBondContact O-CB 3.42Å; H185-H189 PolarHBondContact O-N 3.36Å; L186-H189 PolarHBondContact O-N 2.86Å; H189-R191 VanDerWaalsContact C-N 3.28Å; H189-R191 PolarHBondContact O-N 3.02Å; H189-N192 PolarHBondContact O-N 2.96Å; H189-Q193 PolarHBondContact CE1-OE1 2.84Å; H189-Q193 PolarHBondContact ND1-OE1 3.26Å; H189-Q193 PolarHBondContact O-N 3.49Å; H189-H194 AromaticContact NE2-CD2 3.89Å; H189-H194 AromaticContact NE2-NE2 3.79Å
190F70.4Confident67.1Low12 Ų1276.6 Ų76.65%0.05336%0.36CS..Hα-helixtrans-67.3-21.4176.7-65.6-22.7000114.2F168 L186 V187 H194 L196 A210F168-F190 HydrophobicContact CD2-CD1 4.23Å; F168-F190 AromaticContact CD2-CE1 3.73Å; F168-F190 HydrophobicContact CD2-CE1 3.73Å; F168-F190 HydrophobicContact CD2-CZ 4.3Å; F168-F190 HydrophobicContact CE2-CD1 4.48Å; F168-F190 AromaticContact CE2-CE1 3.88Å; F168-F190 HydrophobicContact CE2-CE1 3.88Å; F168-F190 AromaticContact CE2-CZ 4Å; F168-F190 HydrophobicContact CE2-CZ 4Å; L186-F190 HydrophobicContact CD1-CD1 4.48Å; L186-F190 HydrophobicContact CD1-CD2 4.43Å; L186-F190 HydrophobicContact CD1-CE1 3.89Å; L186-F190 HydrophobicContact CD1-CE2 3.86Å; L186-F190 HydrophobicContact CD1-CZ 3.56Å; L186-F190 HydrophobicContact CD2-CE2 3.94Å; L186-F190 HydrophobicContact CD2-CZ 4.24Å; L186-F190 HydrophobicContact CG-CD2 4.02Å; L186-F190 HydrophobicContact CG-CE1 4.48Å; L186-F190 HydrophobicContact CG-CE2 3.57Å; L186-F190 HydrophobicContact CG-CZ 3.84Å; L186-F190 WeakPolarHBondContact O-CB 3.22Å; L186-F190 VanDerWaalsContact O-CG 3.3Å; L186-F190 WeakPolarHBondContact O-CG 3.26Å; L186-F190 PolarHBondContact O-N 3.13Å; V187-F190 CarbonylContact O-C 3.57Å; V187-F190 PolarHBondContact O-N 3.08Å; F190-H194 AromaticContact CD1-CD2 3.99Å; F190-H194 CarbonylContact O-C 3.42Å; F190-H194 WeakPolarHBondContact O-CA 3.28Å; F190-H194 WeakPolarHBondContact O-CB 3.18Å; F190-H194 PolarHBondContact O-N 3.31Å; F190-L196 HydrophobicContact CB-CD1 3.66Å; F190-L196 HydrophobicContact CB-CD2 4.09Å; F190-L196 HydrophobicContact CB-CG 3.7Å; F190-L196 HydrophobicContact CD2-CD2 4.39Å; F190-A210 HydrophobicContact CB-CB 4.18Å; F190-A210 HydrophobicContact CD1-CB 4.41Å; F190-A210 HydrophobicContact CD2-CB 3.8Å; F190-A210 HydrophobicContact CE2-CB 4.19Å; F190-A210 HydrophobicContact CG-CB 3.91Å
191R72Confident67.4Low128 Ų12880 Ų8048%0.48337%0.372SS..Hα-helixtrans-78.6-38.7170.5-80.9-173.9177.8125.91.4112.7V187 N188 H189 L196 E198V187-R191 HydrophobicContact CG1-CG 4.29Å; V187-R191 WeakPolarHBondContact O-CB 3.45Å; V187-R191 VanDerWaalsContact O-CG 3.3Å; V187-R191 WeakPolarHBondContact O-CG 3.45Å; V187-R191 PolarHBondContact O-N 3.42Å; N188-R191 PolarHBondContact O-N 2.97Å; H189-R191 VanDerWaalsContact C-N 3.28Å; H189-R191 PolarHBondContact O-N 3.02Å; R191-L196 HydrophobicContact CB-CD1 4.38Å; R191-L196 HydrophobicContact CG-CD1 3.59Å; R191-E198 IonicContact CZ-OE1 3.62Å; R191-E198 IonicContact NE-OE1 2.66Å; R191-E198 PolarHBondContact NE-OE1 3.19Å; R191-E198 IonicContact NH2-OE1 3.68Å; R191-E198 PolarHBondContact NH2-OE1 3.03Å
192N67.7Low68.2Low131 Ų13173.4 Ų73.470%0.70135%0.349SS*.Hα-helixtrans-90.8-23.8-169.9-66.9-9.5000113N188 H189N188-N192 WeakPolarHBondContact O-CB 3.34Å; N188-N192 PolarHBondContact O-N 2.67Å; N188-N192 PolarHBondContact O-ND2 3Å; N188-N192 PolarHBondContact O-OD1 3.45Å; H189-N192 PolarHBondContact O-N 2.96Å
193Q66.7Low69Low110 Ų11077.7 Ų77.751%0.51436%0.359SS..SBendtrans-125.6-9.8-174.5-59.9-174.1-1.100113.7H189H189-Q193 PolarHBondContact CE1-OE1 2.84Å; H189-Q193 PolarHBondContact ND1-OE1 3.26Å; H189-Q193 PolarHBondContact O-N 3.49Å
194H77.9Confident69.3Low18 Ų1875.6 Ų75.68%0.08336%0.36CS..SBendtrans-139.5-173.5-176.6-61.3-60000111.5F168 C169 H189 F190F168-H194 VanDerWaalsContact C-CE1 3.47Å; F168-H194 WeakPolarHBondContact CB-CE1 3.47Å; F168-H194 WeakPolarHBondContact CB-ND1 3.22Å; F168-H194 PolarHBondContact O-CE1 3.3Å; F168-H194 VanDerWaalsContact O-CE1 3.28Å; C169-H194 PolarHBondContact SG-NE2 2.98Å; H189-H194 AromaticContact NE2-CD2 3.89Å; H189-H194 AromaticContact NE2-NE2 3.79Å; F190-H194 AromaticContact CD1-CD2 3.99Å; F190-H194 CarbonylContact O-C 3.42Å; F190-H194 WeakPolarHBondContact O-CA 3.28Å; F190-H194 WeakPolarHBondContact O-CB 3.18Å; F190-H194 PolarHBondContact O-N 3.31Å
195H75.6Confident69.4Low69 Ų6974.7 Ų74.732%0.31936%0.356SS..EExtended strand (participates in β ladder)trans-117.390-173-68.2-73.4000111.6F211 S213 E214 L217H195-F211 HydrophobicContact CB-CB 4.31Å; H195-F211 PolarHBondContact N-O 2.81Å; H195-F211 WeakPolarHBondContact O-CD2 3.29Å; H195-F211 PolarHBondContact O-N 3.01Å; H195-S213 VanDerWaalsContact CD2-C 3.4Å; H195-E214 PolarHBondContact CD2-N 2.88Å; H195-E214 PolarHBondContact NE2-N 2.84Å; H195-L217 HydrophobicContact CB-CB 3.98Å; H195-L217 HydrophobicContact CB-CD2 3.86Å
196L75.9Confident69.3Low23 Ų2373 Ų7312%0.1236%0.356CS..EExtended strand (participates in β ladder)trans-75.9146.4175-84.7165.2000113.8V187 F190 R191 A210 L217V187-L196 HydrophobicContact CG1-CD1 3.94Å; V187-L196 WeakPolarHBondContact O-CD1 3.46Å; F190-L196 HydrophobicContact CB-CD1 3.66Å; F190-L196 HydrophobicContact CB-CD2 4.09Å; F190-L196 HydrophobicContact CB-CG 3.7Å; F190-L196 HydrophobicContact CD2-CD2 4.39Å; R191-L196 HydrophobicContact CB-CD1 4.38Å; R191-L196 HydrophobicContact CG-CD1 3.59Å; L196-A210 HydrophobicContact CD2-CB 3.81Å; L196-A210 HydrophobicContact CG-CB 4.33Å; L196-L217 WeakPolarHBondContact O-CD1 3.42Å; L196-L217 WeakPolarHBondContact O-CD2 3.45Å
197C78.3Confident69.1Low3 Ų375.8 Ų75.82%0.0237%0.371CS..EExtended strand (participates in β ladder)trans-93.7111.3163.3-157.10000111.6C202 V209 L217 H220 H225C197-C202 HydrophobicContact CB-CB 4.16Å; C197-V209 HydrophobicContact CB-CB 4.45Å; C197-V209 PolarHBondContact N-O 2.85Å; C197-L217 HydrophobicContact CB-CD1 3.57Å; C197-H220 VanDerWaalsContact SG-CD2 3.56Å; C197-H225 PolarHBondContact SG-CD2 2.73Å; C197-H225 PolarHBondContact SG-NE2 3.22Å
198E75Confident69Low103 Ų10375.8 Ų75.848%0.48138%0.376SS..  trans-95.413.4177.4-55.2-164.412700113.4R191R191-E198 IonicContact CZ-OE1 3.62Å; R191-E198 IonicContact NE-OE1 2.66Å; R191-E198 PolarHBondContact NE-OE1 3.19Å; R191-E198 IonicContact NH2-OE1 3.68Å; R191-E198 PolarHBondContact NH2-OE1 3.03Å
199E70.5Confident69.1Low68 Ų6874.5 Ų74.532%0.31837%0.37SS..SBendtrans-97127-173-74168.7-156.800112.6R201 C202 K221 H225E199-R201 PolarHBondContact O-N 3.02Å; E199-C202 PolarHBondContact O-N 2.94Å; E199-K221 WeakPolarHBondContact OE1-CD 3.5Å; E199-K221 WeakPolarHBondContact OE1-CE 3.48Å; E199-K221 IonicContact OE1-NZ 2.81Å; E199-K221 PolarHBondContact OE1-NZ 2.94Å; E199-H225 PolarHBondContact O-CE1 3.15Å; E199-H225 PolarHBondContact O-NE2 3.38Å; E199-H225 WeakPolarHBondContact OE2-CB 3.46Å; E199-H225 IonicContact OE2-CD2 3.81Å; E199-H225 IonicContact OE2-CG 3.77Å
200G68.7Low69.2Low51 Ų5174.4 Ų74.453%0.52637%0.372SS..G310 helixtrans48.1-136173.200000114.1C202 R203G200-C202 PolarHBondContact O-N 3.4Å; G200-R203 VanDerWaalsContact O-CB 3.3Å; G200-R203 WeakPolarHBondContact O-CB 3.33Å; G200-R203 PolarHBondContact O-N 3.48Å
201R63.7Low69.5Low179 Ų17975.6 Ų75.668%0.67538%0.377SS*.G310 helixtrans-51.8-28.4-176.4-60.5-176.6-64.2-169.63.4114.5E199 R203 D204 E205 E224E199-R201 PolarHBondContact O-N 3.02Å; R201-R203 PolarHBondContact O-N 3.46Å; R201-D204 PolarHBondContact O-N 2.97Å; R201-E205 PolarHBondContact O-N 3.46Å; R201-E224 IonicContact NH2-OE2 3.69Å
202C70.7Confident69.7Low13 Ų1374.3 Ų74.39%0.08838%0.38CS..G310 helixtrans-73-11.2-178.4-62.40000113.6C197 E199 G200 V209 H220 H225C197-C202 HydrophobicContact CB-CB 4.16Å; E199-C202 PolarHBondContact O-N 2.94Å; G200-C202 PolarHBondContact O-N 3.4Å; C202-V209 HydrophobicContact CB-CB 4.28Å; C202-V209 HydrophobicContact CB-CG2 3.75Å; C202-V209 PolarHBondContact O-N 2.76Å; C202-H220 PolarHBondContact SG-CE1 2.85Å; C202-H220 PolarHBondContact SG-NE2 3.39Å; C202-H225 PolarHBondContact SG-CE1 3.38Å; C202-H225 PolarHBondContact SG-NE2 2.98Å
203R66.8Low70.3Confident176 Ų17669.4 Ų69.466%0.66436%0.356SS*.G310 helixtrans-85.3-25.4168.7178.6178.5169.5169.3-2.9113.1G200 R201G200-R203 VanDerWaalsContact O-CB 3.3Å; G200-R203 WeakPolarHBondContact O-CB 3.33Å; G200-R203 PolarHBondContact O-N 3.48Å; R201-R203 PolarHBondContact O-N 3.46Å
204D62.6Low71Confident121 Ų12168.1 Ų68.165%0.64735%0.35SS*.THydrogen-bonded Turntrans-92.1-21.4-174.1-54.4-43.9000112.1R201R201-D204 PolarHBondContact O-N 2.97Å
205E63.5Low71.1Confident114 Ų11474.3 Ų74.353%0.53338%0.377SS..SBendtrans-49.7129.9163.1-78.2-67.115800111.1R201 L207 G208R201-E205 PolarHBondContact O-N 3.46Å; E205-L207 PolarHBondContact O-N 3.36Å; E205-G208 PolarHBondContact O-N 3.47Å
206P59.6Low71.6Confident93 Ų9374 Ų7460%0.60438%0.377SS*.THydrogen-bonded Turntrans-63.2-22.5-164.721.6-33.1000115.2R183R183-P206 VanDerWaalsContact CD-O 3.31Å; R183-P206 WeakPolarHBondContact CD-O 3.3Å
207L57.3Low71.9Confident72 Ų7273.8 Ų73.838%0.37738%0.376SS..THydrogen-bonded Turntrans-105.3-13.3176-61.9176.4000113.7L186 E205 I268L186-L207 HydrophobicContact CD2-CD2 4.3Å; E205-L207 PolarHBondContact O-N 3.36Å; L207-I268 HydrophobicContact CD1-CD1 4.11Å
208G64.3Low72.1Confident24 Ų2479.6 Ų79.625%0.24740%0.398CS..  trans70154.2-168.500000113.7E205 A210E205-G208 PolarHBondContact O-N 3.47Å; G208-A210 PolarHBondContact O-N 3.24Å
209V70.6Confident72.5Confident40 Ų4082.3 Ų82.324%0.24241%0.405CS..EExtended strand (participates in β ladder)trans-89.8107.8177.2-168.60000109.9C197 C202 F211C197-V209 HydrophobicContact CB-CB 4.45Å; C197-V209 PolarHBondContact N-O 2.85Å; C202-V209 HydrophobicContact CB-CB 4.28Å; C202-V209 HydrophobicContact CB-CG2 3.75Å; C202-V209 PolarHBondContact O-N 2.76Å; V209-F211 HydrophobicContact CB-CE2 4.43Å; V209-F211 HydrophobicContact CG1-CE1 4.46Å; V209-F211 HydrophobicContact CG1-CE2 3.53Å; V209-F211 HydrophobicContact CG1-CZ 3.48Å; V209-F211 VanDerWaalsContact CG1-CZ 3.48Å
210A75Confident73.1Confident14 Ų1480.2 Ų80.212%0.11640%0.395CS..EExtended strand (participates in β ladder)trans-107.6144.4178.800000112.2F168 F190 L196 G208F168-A210 HydrophobicContact CE2-CB 3.84Å; F168-A210 HydrophobicContact CZ-CB 4.25Å; F168-A210 WeakPolarHBondContact CZ-O 3.49Å; F190-A210 HydrophobicContact CB-CB 4.18Å; F190-A210 HydrophobicContact CD1-CB 4.41Å; F190-A210 HydrophobicContact CD2-CB 3.8Å; F190-A210 HydrophobicContact CE2-CB 4.19Å; F190-A210 HydrophobicContact CG-CB 3.91Å; L196-A210 HydrophobicContact CD2-CB 3.81Å; L196-A210 HydrophobicContact CG-CB 4.33Å; G208-A210 PolarHBondContact O-N 3.24Å
211F76.1Confident73.8Confident38 Ų3880.9 Ų80.917%0.16738%0.383CS..EExtended strand (participates in β ladder)trans-124148175.2-59.7-85.1000110.5H195 V209 S213 D216 L217 H220H195-F211 HydrophobicContact CB-CB 4.31Å; H195-F211 PolarHBondContact N-O 2.81Å; H195-F211 WeakPolarHBondContact O-CD2 3.29Å; H195-F211 PolarHBondContact O-N 3.01Å; V209-F211 HydrophobicContact CB-CE2 4.43Å; V209-F211 HydrophobicContact CG1-CE1 4.46Å; V209-F211 HydrophobicContact CG1-CE2 3.53Å; V209-F211 HydrophobicContact CG1-CZ 3.48Å; V209-F211 VanDerWaalsContact CG1-CZ 3.48Å; F211-S213 VanDerWaalsContact C-N 3.28Å; F211-D216 HydrophobicContact CB-CB 4.27Å; F211-D216 HydrophobicContact CD1-CB 3.7Å; F211-D216 HydrophobicContact CE1-CB 4.45Å; F211-D216 HydrophobicContact CG-CB 4.2Å; F211-L217 HydrophobicContact CB-CB 4.39Å; F211-L217 HydrophobicContact CD2-CB 3.85Å; F211-L217 HydrophobicContact CD2-CD1 3.9Å; F211-L217 HydrophobicContact CE2-CD1 4.11Å; F211-L217 HydrophobicContact CG-CB 4.32Å; F211-H220 HydrophobicContact CE1-CB 4.11Å; F211-H220 HydrophobicContact CE2-CB 3.65Å; F211-H220 AromaticContact CE2-CD2 3.65Å; F211-H220 AromaticContact CE2-CG 3.62Å; F211-H220 HydrophobicContact CZ-CB 3.32Å; F211-H220 AromaticContact CZ-CD2 3.91Å; F211-H220 AromaticContact CZ-CG 3.41Å; F211-H220 VanDerWaalsContact CZ-CG 3.41Å; F211-H220 AromaticContact CZ-ND1 3.82Å
212D78Confident74.7Confident101 Ų10175.4 Ų75.454%0.5438%0.376SS..SBendtrans-67.3-29.9169.462.1-29.6000112.4F168F168-D212 HydrophobicContact CB-CB 4.42Å; F168-D212 HydrophobicContact CD1-CB 4.06Å
213S79.3Confident75.2Confident28 Ų2878.3 Ų78.320%0.19639%0.394CS..SBendtrans-126.9138.8-167.6150.70000112.7H195 F211 F215 D216 L217H195-S213 VanDerWaalsContact CD2-C 3.4Å; F211-S213 VanDerWaalsContact C-N 3.28Å; S213-F215 PolarHBondContact O-N 3.47Å; S213-F215 WeakPolarHBondContact OG-CB 3.34Å; S213-F215 PolarHBondContact OG-N 2.7Å; S213-D216 WeakPolarHBondContact CB-OD2 3.34Å; S213-D216 PolarHBondContact O-N 2.99Å; S213-D216 PolarHBondContact OG-OD2 3.07Å; S213-L217 PolarHBondContact O-N 2.98Å
214E80.7Confident75.4Confident83 Ų8373.2 Ų73.239%0.38838%0.377SS..Hα-helixtrans-62.8-25.7176-151.6-147.4151.800112H195 R218H195-E214 PolarHBondContact CD2-N 2.88Å; H195-E214 PolarHBondContact NE2-N 2.84Å; E214-R218 VanDerWaalsContact CD-NE 3.3Å; E214-R218 WeakPolarHBondContact O-CB 3.46Å; E214-R218 WeakPolarHBondContact O-CD 3.4Å; E214-R218 WeakPolarHBondContact O-CG 3.39Å; E214-R218 PolarHBondContact O-N 2.98Å; E214-R218 IonicContact OE1-CZ 3.09Å; E214-R218 IonicContact OE1-NE 3.17Å; E214-R218 PolarHBondContact OE1-NE 3.38Å; E214-R218 IonicContact OE1-NH2 2.69Å; E214-R218 PolarHBondContact OE1-NH2 3.4Å; E214-R218 IonicContact OE2-CZ 3.32Å; E214-R218 VanDerWaalsContact OE2-CZ 3.32Å; E214-R218 IonicContact OE2-NE 2.91Å; E214-R218 IonicContact OE2-NH2 2.79Å; E214-R218 PolarHBondContact OE2-NH2 3.19Å
215F81.3Confident76Confident147 Ų14768.2 Ų68.265%0.64535%0.35SS*.Hα-helixtrans-67.7-38.5176.8-72.1-88.1000111.7S213 R218 Y219S213-F215 PolarHBondContact O-N 3.47Å; S213-F215 WeakPolarHBondContact OG-CB 3.34Å; S213-F215 PolarHBondContact OG-N 2.7Å; F215-R218 WeakPolarHBondContact O-CB 3.3Å; F215-R218 PolarHBondContact O-N 3.06Å; F215-Y219 WeakPolarHBondContact O-CB 3.29Å; F215-Y219 PolarHBondContact O-N 3.36Å
216D84.8Confident76.1Confident62 Ų6265.6 Ų65.633%0.33235%0.345SS..Hα-helixtrans-80-33.3-176.3-58.1-69.7000111F211 S213 Y219 H220F211-D216 HydrophobicContact CB-CB 4.27Å; F211-D216 HydrophobicContact CD1-CB 3.7Å; F211-D216 HydrophobicContact CE1-CB 4.45Å; F211-D216 HydrophobicContact CG-CB 4.2Å; S213-D216 WeakPolarHBondContact CB-OD2 3.34Å; S213-D216 PolarHBondContact O-N 2.99Å; S213-D216 PolarHBondContact OG-OD2 3.07Å; D216-Y219 PolarHBondContact O-N 2.94Å; D216-H220 VanDerWaalsContact O-CB 3.28Å; D216-H220 WeakPolarHBondContact O-CB 3.4Å; D216-H220 PolarHBondContact O-N 2.93Å
217L83.2Confident76.1Confident19 Ų1965.5 Ų65.510%0.09935%0.351CS..Hα-helixtrans-59.4-45.2163.7177.861.9000112H195 L196 C197 F211 S213 H220 K221H195-L217 HydrophobicContact CB-CB 3.98Å; H195-L217 HydrophobicContact CB-CD2 3.86Å; L196-L217 WeakPolarHBondContact O-CD1 3.42Å; L196-L217 WeakPolarHBondContact O-CD2 3.45Å; C197-L217 HydrophobicContact CB-CD1 3.57Å; F211-L217 HydrophobicContact CB-CB 4.39Å; F211-L217 HydrophobicContact CD2-CB 3.85Å; F211-L217 HydrophobicContact CD2-CD1 3.9Å; F211-L217 HydrophobicContact CE2-CD1 4.11Å; F211-L217 HydrophobicContact CG-CB 4.32Å; S213-L217 PolarHBondContact O-N 2.98Å; L217-H220 PolarHBondContact O-N 2.99Å; L217-K221 HydrophobicContact CD1-CD 4.42Å; L217-K221 HydrophobicContact CD1-CG 4.39Å; L217-K221 HydrophobicContact CG-CD 4.43Å; L217-K221 WeakPolarHBondContact O-CG 3.5Å; L217-K221 PolarHBondContact O-N 3.37Å
218R81.7Confident75.8Confident126 Ų12667.8 Ų67.848%0.47537%0.372SS..Hα-helixtrans-64.4-39.3176.8-74165.3-180-178.22.3112E214 F215 A222E214-R218 VanDerWaalsContact CD-NE 3.3Å; E214-R218 WeakPolarHBondContact O-CB 3.46Å; E214-R218 WeakPolarHBondContact O-CD 3.4Å; E214-R218 WeakPolarHBondContact O-CG 3.39Å; E214-R218 PolarHBondContact O-N 2.98Å; E214-R218 IonicContact OE1-CZ 3.09Å; E214-R218 IonicContact OE1-NE 3.17Å; E214-R218 PolarHBondContact OE1-NE 3.38Å; E214-R218 IonicContact OE1-NH2 2.69Å; E214-R218 PolarHBondContact OE1-NH2 3.4Å; E214-R218 IonicContact OE2-CZ 3.32Å; E214-R218 VanDerWaalsContact OE2-CZ 3.32Å; E214-R218 IonicContact OE2-NE 2.91Å; E214-R218 IonicContact OE2-NH2 2.79Å; E214-R218 PolarHBondContact OE2-NH2 3.19Å; F215-R218 WeakPolarHBondContact O-CB 3.3Å; F215-R218 PolarHBondContact O-N 3.06Å; R218-A222 WeakPolarHBondContact O-CB 3.26Å; R218-A222 PolarHBondContact O-N 3.32Å
219Y83.9Confident75Confident160 Ų16069.9 Ų69.963%0.62738%0.383SS*.Hα-helixtrans-64.2-48.8175.5178.7-101.5000111.1F215 D216 K221 A222 V223F215-Y219 WeakPolarHBondContact O-CB 3.29Å; F215-Y219 PolarHBondContact O-N 3.36Å; D216-Y219 PolarHBondContact O-N 2.94Å; Y219-K221 PolarHBondContact O-N 2.78Å; Y219-A222 CarbonylContact O-C 3.28Å; Y219-A222 WeakPolarHBondContact O-CA 3.22Å; Y219-A222 WeakPolarHBondContact O-CB 3.33Å; Y219-A222 PolarHBondContact O-N 2.92Å; Y219-V223 HydrophobicContact CD1-CG2 4.36Å; Y219-V223 HydrophobicContact CD2-CG2 4.5Å; Y219-V223 HydrophobicContact CE1-CG2 3.96Å; Y219-V223 HydrophobicContact CE2-CG2 4.11Å; Y219-V223 WeakPolarHBondContact O-CG2 3.05Å; Y219-V223 PolarHBondContact O-N 3.47Å
220H84.3Confident73.4Confident23 Ų2373.9 Ų73.911%0.10640%0.403CS..Hα-helixtrans-56.2-46.2174.8170.274.9000112.3C197 C202 F211 D216 L217 A222 V223 E224 H225C197-H220 VanDerWaalsContact SG-CD2 3.56Å; C202-H220 PolarHBondContact SG-CE1 2.85Å; C202-H220 PolarHBondContact SG-NE2 3.39Å; F211-H220 HydrophobicContact CE1-CB 4.11Å; F211-H220 HydrophobicContact CE2-CB 3.65Å; F211-H220 AromaticContact CE2-CD2 3.65Å; F211-H220 AromaticContact CE2-CG 3.62Å; F211-H220 HydrophobicContact CZ-CB 3.32Å; F211-H220 AromaticContact CZ-CD2 3.91Å; F211-H220 AromaticContact CZ-CG 3.41Å; F211-H220 VanDerWaalsContact CZ-CG 3.41Å; F211-H220 AromaticContact CZ-ND1 3.82Å; D216-H220 VanDerWaalsContact O-CB 3.28Å; D216-H220 WeakPolarHBondContact O-CB 3.4Å; D216-H220 PolarHBondContact O-N 2.93Å; L217-H220 PolarHBondContact O-N 2.99Å; H220-A222 VanDerWaalsContact C-N 3.31Å; H220-A222 PolarHBondContact O-N 3.31Å; H220-V223 PolarHBondContact O-N 3.2Å; H220-V223 VanDerWaalsContact O-N 3.1Å; H220-E224 PolarHBondContact O-N 2.76Å; H220-H225 AromaticContact NE2-NE2 3.44Å; H220-H225 PolarHBondContact NE2-NE2 2.95Å
221K82.4Confident72Confident65 Ų6583.9 Ų83.928%0.28344%0.438SS..Hα-helixtrans-59.9-38.8174-71.6-177.7178.9-156.80112.8E199 L217 Y219 V223 H225 S226E199-K221 WeakPolarHBondContact OE1-CD 3.5Å; E199-K221 WeakPolarHBondContact OE1-CE 3.48Å; E199-K221 IonicContact OE1-NZ 2.81Å; E199-K221 PolarHBondContact OE1-NZ 2.94Å; L217-K221 HydrophobicContact CD1-CD 4.42Å; L217-K221 HydrophobicContact CD1-CG 4.39Å; L217-K221 HydrophobicContact CG-CD 4.43Å; L217-K221 WeakPolarHBondContact O-CG 3.5Å; L217-K221 PolarHBondContact O-N 3.37Å; Y219-K221 PolarHBondContact O-N 2.78Å; K221-V223 VanDerWaalsContact C-N 3.32Å; K221-V223 PolarHBondContact O-N 3.25Å; K221-H225 CarbonylContact O-C 3.56Å; K221-H225 WeakPolarHBondContact O-CA 3.21Å; K221-H225 WeakPolarHBondContact O-CB 3.34Å; K221-H225 PolarHBondContact O-N 2.93Å; K221-H225 VanDerWaalsContact O-N 3.13Å; K221-S226 PolarHBondContact O-N 2.88Å; K221-S226 VanDerWaalsContact O-N 3.14Å
222A81.9Confident70.4Confident64 Ų6486.1 Ų86.153%0.52946%0.458SS..Hα-helixtrans-69.9-24.2175.800000113.9R218 Y219 H220 S226R218-A222 WeakPolarHBondContact O-CB 3.26Å; R218-A222 PolarHBondContact O-N 3.32Å; Y219-A222 CarbonylContact O-C 3.28Å; Y219-A222 WeakPolarHBondContact O-CA 3.22Å; Y219-A222 WeakPolarHBondContact O-CB 3.33Å; Y219-A222 PolarHBondContact O-N 2.92Å; H220-A222 VanDerWaalsContact C-N 3.31Å; H220-A222 PolarHBondContact O-N 3.31Å; A222-S226 WeakPolarHBondContact O-CB 3.46Å; A222-S226 PolarHBondContact O-OG 3.05Å
223V81.2Confident68.8Low75 Ų7592 Ų9246%0.45547%0.473SS..Hα-helixtrans-92.3-52.21791750000112.3Y219 H220 K221 S226Y219-V223 HydrophobicContact CD1-CG2 4.36Å; Y219-V223 HydrophobicContact CD2-CG2 4.5Å; Y219-V223 HydrophobicContact CE1-CG2 3.96Å; Y219-V223 HydrophobicContact CE2-CG2 4.11Å; Y219-V223 WeakPolarHBondContact O-CG2 3.05Å; Y219-V223 PolarHBondContact O-N 3.47Å; H220-V223 PolarHBondContact O-N 3.2Å; H220-V223 VanDerWaalsContact O-N 3.1Å; K221-V223 VanDerWaalsContact C-N 3.32Å; K221-V223 PolarHBondContact O-N 3.25Å; V223-S226 PolarHBondContact O-OG 2.8Å
224E71.4Confident67.2Low68 Ų6896.3 Ų96.332%0.31850%0.498SS..Hα-helixtrans-97.1-20.8-170-64.5-71173.400113.8R201 H220 R265R201-E224 IonicContact NH2-OE2 3.69Å; H220-E224 PolarHBondContact O-N 2.76Å; E224-R265 IonicContact OE1-NH2 3.35Å; E224-R265 PolarHBondContact OE1-NH2 2.79Å
225H76.4Confident65.1Low16 Ų16103.9 Ų103.97%0.07452%0.523CS..SBendtrans-115.3-1.3-177.3-57.4-47.6000114.7C197 E199 C202 H220 K221 A227 C228 S229C197-H225 PolarHBondContact SG-CD2 2.73Å; C197-H225 PolarHBondContact SG-NE2 3.22Å; E199-H225 PolarHBondContact O-CE1 3.15Å; E199-H225 PolarHBondContact O-NE2 3.38Å; E199-H225 WeakPolarHBondContact OE2-CB 3.46Å; E199-H225 IonicContact OE2-CD2 3.81Å; E199-H225 IonicContact OE2-CG 3.77Å; C202-H225 PolarHBondContact SG-CE1 3.38Å; C202-H225 PolarHBondContact SG-NE2 2.98Å; H220-H225 AromaticContact NE2-NE2 3.44Å; H220-H225 PolarHBondContact NE2-NE2 2.95Å; K221-H225 CarbonylContact O-C 3.56Å; K221-H225 WeakPolarHBondContact O-CA 3.21Å; K221-H225 WeakPolarHBondContact O-CB 3.34Å; K221-H225 PolarHBondContact O-N 2.93Å; K221-H225 VanDerWaalsContact O-N 3.13Å; H225-A227 PolarHBondContact O-N 2.73Å; H225-A227 VanDerWaalsContact O-N 3.13Å; H225-C228 PolarHBondContact O-N 2.74Å; H225-S229 PolarHBondContact O-N 3.1Å; H225-S229 VanDerWaalsContact O-N 3.08Å; H225-S229 PolarHBondContact O-OG 2.72Å
226S64.7Low63.4Low60 Ų60104.3 Ų104.342%0.4253%0.531SS..THydrogen-bonded Turntrans-64.1-12.7173.252.80000114.3K221 A222 V223K221-S226 PolarHBondContact O-N 2.88Å; K221-S226 VanDerWaalsContact O-N 3.14Å; A222-S226 WeakPolarHBondContact O-CB 3.46Å; A222-S226 PolarHBondContact O-OG 3.05Å; V223-S226 PolarHBondContact O-OG 2.8Å
227A60Low61.3Low90 Ų90106.4 Ų106.474%0.74455%0.551SS**THydrogen-bonded Turntrans-77.5-27.317100000113.9H225H225-A227 PolarHBondContact O-N 2.73Å; H225-A227 VanDerWaalsContact O-N 3.13Å
228C49.9Very low59.2Low120 Ų120111.2 Ų111.281%0.81158%0.583SS**THydrogen-bonded Turntrans-110.7-14.1-175.5-162.30000113.5H225 D230H225-C228 PolarHBondContact O-N 2.74Å; C228-D230 PolarHBondContact O-N 2.74Å
229S47.5Very low57.4Low69 Ų69110.1 Ų110.148%0.48360%0.601SS.*SBendtrans-67.7121.1164.6-69.10000110H225 R231H225-S229 PolarHBondContact O-N 3.1Å; H225-S229 VanDerWaalsContact O-N 3.08Å; H225-S229 PolarHBondContact O-OG 2.72Å; S229-R231 PolarHBondContact O-N 2.93Å; S229-R231 VanDerWaalsContact O-N 3.07Å
230D38.4Very low55.6Low124 Ų124109.6 Ų109.666%0.66361%0.614SS**  trans-45.1113.6-178.5-178.3-14.7000112C228 S232C228-D230 PolarHBondContact O-N 2.74Å; D230-S232 PolarHBondContact O-N 2.86Å; D230-S232 WeakPolarHBondContact OD1-CB 3.41Å; D230-S232 PolarHBondContact OD1-N 3.13Å; D230-S232 VanDerWaalsContact OD1-N 3.1Å; D230-S232 PolarHBondContact OD1-OG 3.32Å; D230-S232 PolarHBondContact OD2-OG 3.16Å
231R44Very low53.3Low224 Ų224112 Ų11285%0.84565%0.645SS**THydrogen-bonded Turntrans-69.81.9-170-63178.169.6167.42.3113.5S229S229-R231 PolarHBondContact O-N 2.93Å; S229-R231 VanDerWaalsContact O-N 3.07Å
232S43.6Very low51.3Low84 Ų84113.8 Ų113.859%0.58767%0.672SS**THydrogen-bonded Turntrans-79.9-13.2-175.362.60000116.2D230D230-S232 PolarHBondContact O-N 2.86Å; D230-S232 WeakPolarHBondContact OD1-CB 3.41Å; D230-S232 PolarHBondContact OD1-N 3.13Å; D230-S232 VanDerWaalsContact OD1-N 3.1Å; D230-S232 PolarHBondContact OD1-OG 3.32Å; D230-S232 PolarHBondContact OD2-OG 3.16Å
233R45.3Very low49.3Very low224 Ų224117.1 Ų117.185%0.84568%0.681SS**SBendtrans-121-10.5-169.2-64.8-168.469.8126.10.6118.5R235R233-R235 PolarHBondContact O-N 3.23Å
234V45.1Very low47.2Very low120 Ų120119.5 Ų119.573%0.72770%0.698SS**  trans-94.779.5-177.4-1730000111.9L236V234-L236 HydrophobicContact CG1-CD1 4.29Å; V234-L236 HydrophobicContact CG1-CG 3.99Å; V234-L236 PolarHBondContact O-N 3.23Å
235R36.8Very low45.8Very low242 Ų242123.3 Ų123.391%0.91372%0.716SS**  trans-81.784.3163.6-76.3-167.3179.9-159.41.7110.4R233 S237R233-R235 PolarHBondContact O-N 3.23Å; R235-S237 PolarHBondContact O-N 2.68Å; R235-S237 VanDerWaalsContact O-N 3.09Å
236L45.2Very low43.7Very low156 Ų156133.1 Ų133.182%0.81775%0.754SS**  trans-71.995.5159.1-74.8170.4000108.2V234 P238V234-L236 HydrophobicContact CG1-CD1 4.29Å; V234-L236 HydrophobicContact CG1-CG 3.99Å; V234-L236 PolarHBondContact O-N 3.23Å; L236-P238 WeakPolarHBondContact O-CD 3.35Å
237S39.7Very low42.2Very low106 Ų106141.9 Ų141.974%0.74178%0.777SS**PPolyproline II helixtrans-65.8120.2178.750.60000110.9R235R235-S237 PolarHBondContact O-N 2.68Å; R235-S237 VanDerWaalsContact O-N 3.09Å
238P39.3Very low41Very low119 Ų119147.9 Ų147.977%0.77378%0.781SS**PPolyproline II helixtrans-62.2138.8174.4-21.533.8000111.3L236L236-P238 WeakPolarHBondContact O-CD 3.35Å
239A44.3Very low40.3Very low103 Ų103153 Ų15385%0.85179%0.785SS**PPolyproline II helixtrans-67.6143.9169.300000110.2
240V45.6Very low39.7Very low150 Ų150153.3 Ų153.391%0.90980%0.798SS**SBendtrans-80130.1-170.6176.50000111.8
241G37.1Very low39.4Very low74 Ų74158 Ų15876%0.76381%0.807SS**  trans95.186.1148.900000118.1
242A40.6Very low38.9Very low102 Ų102153.6 Ų153.684%0.84380%0.796SS**  trans-149.5146.4151.300000109.4
243D40.2Very low38.4Very low133 Ų133155.2 Ų155.271%0.71180%0.798SS**  trans-86.9128.3-161.6-157.1-40.6000113.7Q245D243-Q245 PolarHBondContact O-N 2.78Å; D243-Q245 VanDerWaalsContact O-N 3.14Å
244P36.5Very low37.7Very low125 Ų125152 Ų15281%0.81280%0.798SS**  trans-85.377.6-178.235.1-36.9000113.5
245Q40.8Very low37.1Very low149 Ų149151 Ų15170%0.69680%0.796SS**  trans-120.6160.8164.5-61.8-16512.300112.2D243D243-Q245 PolarHBondContact O-N 2.78Å; D243-Q245 VanDerWaalsContact O-N 3.14Å
246Y33.7Very low36.8Very low222 Ų222151 Ų15187%0.87180%0.796SS**  trans68.775-175.1-71.5-90.4000117.8
247R33.4Very low36Very low244 Ų244147.1 Ų147.192%0.92179%0.794SS**  trans-118.2113139-94-165.2178-162.62.7109.6
248R35Very low35.5Very low215 Ų215153.7 Ų153.781%0.81180%0.804SS**  trans164.6153.8145-94.1168.4-163.9-128.45.5111
249Y34.2Very low35.1Very low228 Ų228153.5 Ų153.589%0.89481%0.805SS**  trans65.7146.4-176.3-46.4-76.3000113.9
250G34.3Very low34.3Very low75 Ų75157.2 Ų157.277%0.77380%0.803SS**  cis-154.5166.2-0.600000112.5
251R33.8Very low33.5Very low224 Ų224158 Ų15885%0.84580%0.797SS**  trans-74.1145.6-174.8-160.1-169.5-140.4-109.22.7111.8
252Q32.5Very low33.3Very low130 Ų130160 Ų16061%0.60780%0.799SS**  130.9129.3121.6-160.8150.3-20.700118.3
253D32.9Very low33.1Very low118 Ų118163.6 Ų163.663%0.63180%0.8SS**  trans54.5102.3158.4-53.5-13.3000122.3
254D31.3Very low32.8Very low157 Ų157165.7 Ų165.784%0.8481%0.806SS**  52.2109.9122.7-57-5000122.6
255S32Very low32.7Very low99 Ų99170.1 Ų170.169%0.69281%0.806SS**  -178.9171.8112.2-168.30000111.4
256W30.6Very low32.5Very low243 Ų243169 Ų16992%0.9281%0.809SS**  trans67.590.8175.1-52.1101.6000116.7
257G29.2Very low32.5Very low74 Ų74162.9 Ų162.976%0.76380%0.797SS**  trans-91.2129172.700000113.7
258Y27.3Very low32.7Very low243 Ų243156.3 Ų156.395%0.95378%0.779SS**  trans-163.193.1159.6-134.3-84.7000111.3
259S31Very low32.9Very low115 Ų115151 Ų15180%0.80477%0.77SS**  trans-169105.7167.3-158.10000108.2
260F27.9Very low33.1Very low182 Ų182145.6 Ų145.680%0.79876%0.763SS**  94.1144.687.3-166.7-95.9000112.1
261Q29Very low33.4Very low167 Ų167149.2 Ų149.278%0.7876%0.764SS**  trans-75.3135.5-160-67.2158.6-71.900113.4
262S34Very low33.5Very low116 Ų116143.4 Ų143.481%0.81176%0.756SS**  trans-108.1135.3148.9-156.90000106.8E264S262-E264 PolarHBondContact O-N 3.1Å
263M36.5Very low34Very low177 Ų177142.8 Ų142.887%0.87276%0.761SS**  trans-71.3113.1-174.2-68.9174176.500110.3R265M263-R265 PolarHBondContact O-N 2.78Å
264E32.1Very low34.3Very low177 Ų177142.8 Ų142.883%0.82777%0.767SS**  trans-63133.9168-72.6-178.411200109.8S262 V266S262-E264 PolarHBondContact O-N 3.1Å; E264-V266 PolarHBondContact O-N 3.35Å; E264-V266 VanDerWaalsContact O-N 3.08Å
265R35.8Very low34.6Very low218 Ų218139.5 Ų139.582%0.82376%0.762SS**  trans-68.4104.6168.1-67.4174.5175.2176.2-6.9107.1E224 M263 P267E224-R265 IonicContact OE1-NH2 3.35Å; E224-R265 PolarHBondContact OE1-NH2 2.79Å; M263-R265 PolarHBondContact O-N 2.78Å; R265-P267 WeakPolarHBondContact O-CD 3.29Å
266V36.4Very low34.8Very low125 Ų125144.6 Ų144.676%0.75877%0.772SS**  trans-81.3106.4174.5179.70000108.5E264E264-V266 PolarHBondContact O-N 3.35Å; E264-V266 VanDerWaalsContact O-N 3.08Å
267P33Very low34.9Very low94 Ų94139.4 Ų139.461%0.6177%0.767SS**  trans-64.2143.8163.729.3-33.8000108.7R265 V269R265-P267 WeakPolarHBondContact O-CD 3.29Å; P267-V269 VanDerWaalsContact C-N 3.27Å; P267-V269 HydrophobicContact CG-CG2 4.07Å; P267-V269 PolarHBondContact O-N 3.39Å
268I38.2Very low35.3Very low106 Ų106142.1 Ų142.154%0.54476%0.762SS.*  trans-75.784.9177.7-58.7175.7000108.3L207L207-I268 HydrophobicContact CD1-CD1 4.11Å
269V39.7Very low35.7Very low103 Ų103138.8 Ų138.862%0.62476%0.755SS**PPolyproline II helixtrans-79.5130.8174.8-176.80000108.9P267 N271P267-V269 VanDerWaalsContact C-N 3.27Å; P267-V269 HydrophobicContact CG-CG2 4.07Å; P267-V269 PolarHBondContact O-N 3.39Å; V269-N271 PolarHBondContact O-N 3.47Å
270P36.9Very low36.4Very low115 Ų115139.8 Ų139.875%0.74776%0.756SS**PPolyproline II helixtrans-62125.4172.125.8-33.3000109.8P272P270-P272 WeakPolarHBondContact O-CD 3.48Å
271N40.5Very low37.2Very low150 Ų150135.3 Ų135.380%0.80275%0.753SS**PPolyproline II helixtrans-64.6119.4-170.2-17126.1000111.2V269V269-N271 PolarHBondContact O-N 3.47Å
272P36.3Very low38.2Very low103 Ų103133.8 Ų133.867%0.66975%0.75SS**PPolyproline II helixtrans-65.6139.5-175.325.3-34.1000112.1P270P270-P272 WeakPolarHBondContact O-CD 3.48Å
273V42.9Very low38.2Very low116 Ų116136.8 Ų136.870%0.70375%0.749SS**PPolyproline II helixtrans-63.8135178.8-1730000109.6A275V273-A275 PolarHBondContact O-N 2.92Å
274P39.5Very low38.6Very low118 Ų118134 Ų13477%0.76674%0.744SS**  trans-67.2103.8177.526.7-34.3000110.7
275A37.4Very low39.2Very low89 Ų89131.4 Ų131.474%0.73674%0.74SS**PPolyproline II helixtrans-62.1135.1176.800000111.4V273 T277V273-A275 PolarHBondContact O-N 2.92Å; A275-T277 PolarHBondContact O-N 3.16Å
276F35.7Very low39.3Very low205 Ų205128.2 Ų128.290%0.89974%0.739SS**PPolyproline II helixtrans-68.6122177.1-117.9-104.4000110.1
277T34.3Very low39.3Very low135 Ų135129.5 Ų129.583%0.82874%0.741SS**PPolyproline II helixtrans-99.9116.7171.346.50000110.2A275A275-T277 PolarHBondContact O-N 3.16Å
278M36.1Very low39.5Very low130 Ų130128.8 Ų128.864%0.6475%0.752SS**  trans-146.6100.4167.2-139.3-171.983.200112.6
279E36.9Very low39.4Very low174 Ų174134.1 Ų134.181%0.81377%0.765SS**  trans34.9113142.4-56.3-176.9154.600119.2
280T45.7Very low39.3Very low135 Ų135136.8 Ų136.883%0.82877%0.771SS**  trans-147.7133.6141.1-22.90000109.6
281A44.2Very low39.3Very low89 Ų89134.7 Ų134.774%0.73677%0.769SS**  trans-143.696.3-178.400000110.3
282D50.5Low39Very low134 Ų134136.7 Ų136.772%0.71777%0.774SS**  trans-128.197.4175.6-84.4-59.5000110.9
283F32.9Very low39Very low180 Ų180136.3 Ų136.379%0.78978%0.779SS**  43.5161.4128.6-63-65.9000123.1
284P45.7Very low38.6Very low117 Ų117136.6 Ų136.676%0.7678%0.782SS**  cis-133166-20.629.2-8.5000115.5
285T45.2Very low38.5Very low123 Ų123136.3 Ų136.376%0.75578%0.782SS**  trans-67.4157.1167.5-27.70000113.4
286L37Very low38.6Very low151 Ų151136.9 Ų136.979%0.79178%0.781SS**  174.3124.4116.8-90.5166.5000115.3
287D36.6Very low38.7Very low152 Ų152133 Ų13381%0.81378%0.779SS**  trans25.8138.5150.1-67.4-54.3000124.6
288G36.4Very low38.7Very low80 Ų80131.4 Ų131.483%0.82577%0.774SS**  trans-178.178.5167.900000117.6
289R37.8Very low38.6Very low217 Ų217134.4 Ų134.482%0.81979%0.786SS**  trans-61.1163.1170.9-63.9164.891.3169.99.7112.7
290Q36.8Very low38.7Very low160 Ų160129.9 Ų129.975%0.74877%0.774SS**  cis-170.4157.6-11.4-107.2173.3-51.900108.8
291G36Very low38.2Very low70 Ų70134.4 Ų134.472%0.72278%0.776SS**  trans85.3158.416400000116.4
292E34.8Very low37.7Very low193 Ų193137.3 Ų137.390%0.90278%0.778SS**  cis-159.2152.6-7.7-105.3-178.9138.100109.4
293A35.7Very low36.8Very low94 Ų94136.6 Ų136.678%0.77778%0.781SS**  trans63.7151.7168.600000117.4
294T35Very low36.6Very low123 Ų123132.2 Ų132.276%0.75577%0.773SS**  cis-161.5149.1-6.170000109.7
295S37.7Very low35.9Very low111 Ų111138.9 Ų138.978%0.77678%0.783SS**  trans60.2154.9159.959.20000118.2
296S39.6Very low35.2Very low102 Ų102137.5 Ų137.571%0.71378%0.778SS**  cis-173141.2-17.446.60000107.6
297S37.8Very low35.2Very low123 Ų123139.8 Ų139.886%0.8678%0.782SS**  cis-157.4173-7.4-82.20000108.8
298S35Very low35Very low102 Ų102140.3 Ų140.371%0.71378%0.784SS**  trans-133.1151.9-175.155.80000112.3
299E34Very low34.7Very low192 Ų192141.5 Ų141.590%0.89778%0.779SS**  trans-120.3134.8153.2-79.9-148.686.200110.9
300S37.6Very low34.5Very low80 Ų80136.2 Ų136.256%0.55978%0.775SS**  trans-166.7132.5-167.957.10000110.7
301R35.5Very low34.2Very low230 Ų230135.6 Ų135.687%0.86878%0.777SS**  trans-141.9112162.1-57.1-175.9-170.8-138.4-0.3105.7
302L33.1Very low34.1Very low150 Ų150142.7 Ų142.779%0.78578%0.782SS**  63.9146.555-60.2179.3000113.4
303P31.8Very low34Very low118 Ų118142.6 Ų142.677%0.76678%0.775SS**  cis-125.8171.55.931.9-12.3000115.6
304S30.5Very low33.9Very low89 Ų89142.8 Ų142.862%0.62277%0.771SS**  trans-100.5156.6162.7123.50000110.4S306S304-S306 PolarHBondContact OG-OG 3.11Å
305W29Very low34Very low257 Ų257145 Ų14597%0.97378%0.777SS**  trans-127.1134.1149.2-79.5-25.4000110.9
306S31.3Very low34Very low94 Ų94147 Ų14766%0.65778%0.779SS**  trans-148.7125.8175.9-43.40000108.6S304S304-S306 PolarHBondContact OG-OG 3.11Å
307K36.2Very low34.4Very low198 Ų198147.1 Ų147.186%0.86177%0.772SS**  trans179159158.9-103.3148.9-168.7174.60112.1
308L32.5Very low34.1Very low164 Ų164151.6 Ų151.686%0.85978%0.776SS**  trans64.4103.5-173.4-75.266.6000111.8
309S31.8Very low34.1Very low105 Ų105151.9 Ų151.973%0.73478%0.775SS**  cis83.7109.336.3-154.20000114.3
310S32.3Very low34.2Very low105 Ų105147.5 Ų147.573%0.73477%0.772SS**  trans59.7100.8142.8-450000118.9
311N31.9Very low33.9Very low147 Ų147152.4 Ų152.479%0.78679%0.791SS**  -160.8173.495.5-135-16.5000113.9
312R33.4Very low33.7Very low219 Ų219144.5 Ų144.583%0.82678%0.782SS**  trans-73.7153.4174.6-42170.7-167.3-158.2-2.3110.8
313Y33.1Very low33.9Very low191 Ų191145 Ų14575%0.74979%0.785SS**  trans-137.1142.8150.4-99.3-74.7000112.3D317Y313-D317 HydrophobicContact CD1-CB 3.74Å; Y313-D317 HydrophobicContact CE1-CB 3.5Å; Y313-D317 WeakPolarHBondContact CE1-OD2 3.4Å
314S32.8Very low33.9Very low99 Ų99144.8 Ų144.869%0.69279%0.787SS**  trans-100.5166.4171.8-169.70000109.5D316S314-D316 PolarHBondContact O-N 3.03Å
315L37.5Very low34Very low170 Ų170149.3 Ų149.389%0.8980%0.798SS**THydrogen-bonded Turntrans-7319.2-166.8-162.456.8000116.1
316D37.9Very low34.4Very low152 Ų152145.7 Ų145.781%0.81379%0.792SS**THydrogen-bonded Turntrans-133.617.6-170.2-74.8-71.4000114.9S314S314-D316 PolarHBondContact O-N 3.03Å
317D47.3Very low34.4Very low104 Ų104147.8 Ų147.856%0.55680%0.795SS**  trans-119.288.4173.7-103.8-52000111.1Y313Y313-D317 HydrophobicContact CD1-CB 3.74Å; Y313-D317 HydrophobicContact CE1-CB 3.5Å; Y313-D317 WeakPolarHBondContact CE1-OD2 3.4Å
318F32.2Very low34.3Very low218 Ų218145.2 Ų145.296%0.95679%0.791SS**  trans-125.281.4171.9-117.6-72.1000111.9
319P35.6Very low34.5Very low107 Ų107142.8 Ų142.870%0.69579%0.788SS**  trans-100.5128.2170.74.817.5000111
320A34.4Very low34.8Very low101 Ų101143.2 Ų143.284%0.83580%0.798SS**  trans-86.5130.6-174.300000114.1
321L31.3Very low35.1Very low182 Ų182141.5 Ų141.595%0.95380%0.797SS**  trans-149.5152.2161.3-67.5177.6000107.4
322G33.1Very low35.5Very low65 Ų65141.5 Ų141.567%0.6780%0.802SS**  cis155.790.7-1.400000111.1
323D35.6Very low35.9Very low159 Ų159136.2 Ų136.285%0.8580%0.799SS**  trans43.3143.7163-59.7-45.9000122.8
324S31.5Very low36.2Very low115 Ų115131.1 Ų131.180%0.80480%0.797SS**  trans-145.7121.3146.7-83.40000111.7
325Q34.6Very low36.5Very low183 Ų183135.1 Ų135.186%0.85580%0.801SS**SBendtrans65.983.4159.8-57.2-176.6-35.100117.9
326Q35.5Very low36.6Very low181 Ų181132.6 Ų132.685%0.84679%0.793SS**  -158.4108.2106.2-105.3168.225.300113.7
327N32Very low36.6Very low138 Ų138131.6 Ų131.674%0.73879%0.788SS**  trans72.4136.7148.5-55.2-1.9000122.2
328D34.7Very low36.2Very low145 Ų145131.1 Ų131.178%0.77579%0.792SS**  trans78.192148.9-52.9-24.7000123.3
329S36.9Very low36.5Very low113 Ų113126.6 Ų126.679%0.7978%0.783SS**  97.694.1127.8-57.30000123.4
330A37.9Very low36.6Very low113 Ų113131.8 Ų131.893%0.93479%0.789SS**  77.6123.6129.500000124.3
331G38.2Very low36.8Very low70 Ų70135.6 Ų135.672%0.72279%0.787SS**  trans137.67913500000122.9
332T41Very low37.1Very low146 Ų146131.3 Ų131.390%0.89677%0.772SS**  trans40.3151.7139.953.40000124.3
333S40.4Very low37.4Very low109 Ų109137 Ų13776%0.76278%0.781SS**  cis178.4151.7-16.5-1730000112.3
334A40.7Very low37.6Very low84 Ų84134.5 Ų134.569%0.69477%0.773SS**  trans72.2153.5152.400000121.3
335K38.6Very low37.8Very low182 Ų182134.5 Ų134.579%0.79177%0.773SS**  cis-173.5140.7-11.9-111.9-175.7-179.7-177.70114.7
336T39Very low37.9Very low117 Ų117134.5 Ų134.572%0.71877%0.77SS**  trans50.6166.4137.761.70000122.4
337D38.6Very low37.8Very low131 Ų131129.4 Ų129.470%0.70176%0.759SS**  cis-160.5171.47.5-142.4-59.7000114.1
338S39.3Very low37.9Very low94 Ų94130.8 Ų130.866%0.65776%0.761SS**  trans48.6123.6148.3-72.30000121.8
339T37.2Very low37.8Very low124 Ų124130.8 Ų130.876%0.76176%0.756SS**  cis82111.929.7-47.20000116.8
340R38.6Very low37.7Very low215 Ų215134.2 Ų134.281%0.81175%0.752SS**  160.7140.6125.3-90.6177.8172.5-168-3.9117.3
341K37.8Very low37.3Very low182 Ų182135 Ų13579%0.79175%0.745SS**  trans70.8150.4150.8-73.3177.5179.1-172.70118.4
342S37.4Very low36.9Very low92 Ų92136.5 Ų136.564%0.64375%0.751SS**  cis-168.2143.4-0.4380000116.5
343H39.3Very low36.4Very low184 Ų184134 Ų13485%0.85275%0.745SS**  trans70.8155.4143.9-71.8-58.5000122.6
344P40.6Very low35.8Very low107 Ų107138.9 Ų138.970%0.69575%0.748SS**  trans-143-159.1-139.446.6-26.6000117.4
345S35.2Very low35.2Very low114 Ų114139.9 Ų139.980%0.79775%0.746SS**  trans84.7152.7167.982.60000116.4
346K36.5Very low34.9Very low184 Ų184138.2 Ų138.280%0.875%0.751SS**  cis-159.7150.112-159.9-172178.6-167.90112
347A34.6Very low34.6Very low73 Ų73141.9 Ų141.960%0.60376%0.757SS**  trans62163154.900000119.8
348E33.8Very low34.2Very low167 Ų167141.7 Ų141.778%0.7876%0.761SS**  cis-161.7118.2-25.4-99.9159.5102.800103.9
349E32.7Very low33.8Very low146 Ų146146.3 Ų146.368%0.68277%0.769SS**  78.2149.197.1-136.6-157.3104.900118.2
350R34Very low33.6Very low185 Ų185147.8 Ų147.870%0.69877%0.767SS**  trans60.697163.7-88.4172.7160.6108.6-8122.4
351T29.3Very low33.2Very low130 Ų130146.4 Ų146.480%0.79876%0.762SS**  23130.1120.158.20000121.5
352A29.5Very low33Very low101 Ų101145.1 Ų145.184%0.83576%0.761SS**  176.5162.1120.800000114.9
353A30.6Very low32.7Very low93 Ų93147.8 Ų147.877%0.76977%0.768SS**  trans60.994.9148.200000122.2
354Y28Very low32.4Very low211 Ų211144.6 Ų144.683%0.82776%0.761SS**  39.2114114-131-107.9000121.3
355T28.5Very low32.2Very low106 Ų106144.1 Ų144.165%0.6576%0.76SS**  trans44.6132.3146.469.50000122.3
356T33.4Very low32.2Very low147 Ų147145.5 Ų145.590%0.90276%0.759SS**  -154.1159.5123.1130000111.5
357K31Very low32.2Very low193 Ų193142.1 Ų142.184%0.83975%0.753SS**  trans-73.2165171.6-63.8159.4-1781680108.3
358T31.1Very low32.2Very low128 Ų128147.6 Ų147.679%0.78576%0.763SS**  -173161.461.3-53.70000113.1
359K31.5Very low32.2Very low190 Ų190145.2 Ų145.283%0.82676%0.76SS**  trans-41.8147.8176.5-51.7162.3-179.4174.20117.8
360E31.9Very low32.6Very low156 Ų156143.4 Ų143.473%0.72976%0.764SS**  162.3155.7119.4-87.6-152.8122.200110
361R30.3Very low33Very low185 Ų185140 Ų14070%0.69877%0.766SS**  cis-176.7168.5-22.2-174.3172.4168.5-177.3-2.3109.4
362M35Very low33.3Very low156 Ų156138.1 Ų138.177%0.76876%0.764SS**  trans77.3149.6166.1-41.4-173.7-149.500116.3
363N29.9Very low33.9Very low148 Ų148139.1 Ų139.179%0.79176%0.762SS**  cis-156.5150.6-18-135.120.7000114.3
364V33.2Very low34.2Very low116 Ų116139.5 Ų139.570%0.70376%0.758SS**  trans13.3130.1144.6177.80000122
365S37.2Very low34.7Very low98 Ų98135.3 Ų135.369%0.68576%0.755SS**  -177.5120.1119.662.50000115.5
366D35Very low35.1Very low142 Ų142135.1 Ų135.176%0.75976%0.758SS**  58150.3123.6-58.4-51.9000122.3
367V35.1Very low35Very low113 Ų113133.2 Ų133.269%0.68576%0.757SS**  cis-168.4153.5-2.9111.10000113.8
368K35.4Very low35.2Very low188 Ų188128.3 Ų128.382%0.81775%0.752SS**  trans64.2161.7158.9-82.5179.5172.1-179.60121.4
369T33.5Very low35.3Very low117 Ų117127.5 Ų127.572%0.71875%0.752SS**  cis171.9149-32.9-93.40000111.2
370S41Very low35.4Very low109 Ų109124 Ų12476%0.76275%0.746SS**  trans145154.5138.5-920000116.1
371P42.5Very low35.6Very low113 Ų113124.4 Ų124.473%0.73475%0.753SS**  trans-149.2-176.5-134.746-26.4000119.4
372A35.8Very low35.7Very low91 Ų91125.2 Ų125.275%0.75276%0.762SS**  trans70.2169.6140.800000119
373P41.7Very low36Very low122 Ų122123.8 Ų123.879%0.79276%0.764SS**  cis-134.4-169.58.943.6-24.8000118.4
374S36.8Very low36Very low100 Ų100121.7 Ų121.770%0.69977%0.768SS**  trans-59.8166.3-178.651.30000116.7
375T39.4Very low35.8Very low124 Ų124121.8 Ų121.876%0.76177%0.774SS**  -171.117366.744.70000112.6
376S36.1Very low35.5Very low101 Ų101128.9 Ų128.971%0.70679%0.785SS**  cis178.1136-42.958.70000111
377A32.3Very low35.3Very low107 Ų107130.8 Ų130.888%0.88479%0.79SS**  trans67.7159.4168.500000117.3
378A35.1Very low35.1Very low90 Ų90132.3 Ų132.374%0.74480%0.799SS**  cis-151.1153.23.600000113.5
379S31.9Very low34.8Very low112 Ų112130.4 Ų130.478%0.78380%0.798SS**  trans41.3145134.3-136.90000121.2
380V35Very low34.6Very low115 Ų115130.8 Ų130.870%0.69780%0.8SS**  -169.5146.458.11690000112.5
381N35.7Very low34Very low165 Ų165135.5 Ų135.588%0.88281%0.806SS**  trans78.9167.6155.9-76.5-9.9000124.8
382K32.5Very low33.4Very low202 Ų202133.5 Ų133.588%0.87881%0.806SS**  trans-119169.8-158.5-105.7-173.2174.8-177.20113.1
383P41.8Very low33.1Very low126 Ų126138.9 Ų138.982%0.81881%0.813SS**  trans-89.6162.9-174.137.1-36.9000115.1
384A29.4Very low32.5Very low105 Ų105139.6 Ų139.687%0.86881%0.814SS**  trans-155.3151.816300000111.4
385S28.6Very low32.1Very low117 Ų117139 Ų13982%0.81881%0.81SS**  trans-89.6154.1-173-38.50000114.2
386R31.2Very low31.6Very low248 Ų248140.5 Ų140.594%0.93681%0.813SS**  trans-166.9152.2135.2-112.4168.1-178.7-173.6-1.5114.1
387Q30.3Very low31.2Very low182 Ų182140.3 Ų140.385%0.8581%0.812SS**  trans-80.4160.9171.7-57.4151.7-66.700111
388V31.6Very low31.3Very low144 Ų144142.7 Ų142.787%0.87381%0.809SS**  trans-166.3148.51331430000109.1
389D27.6Very low31.1Very low149 Ų149142.4 Ų142.480%0.79781%0.806SS**  trans-75.6-170.7-177.8-89.9-87000116.2
390V31.2Very low31Very low125 Ų125144 Ų14476%0.75881%0.806SS**  trans105.676.5152.3-164.20000117.9
391K26.9Very low30.9Very low208 Ų208144.8 Ų144.890%0.90481%0.805SS**  50.495.5110.1-169178.4-177.5172.80119.5
392G31.2Very low30.7Very low71 Ų71143.7 Ų143.773%0.73280%0.804SS**  trans178107.515700000109.4
393K29Very low30.6Very low204 Ų204138.7 Ų138.789%0.88779%0.794SS**  73138.858.1-152.6-177.5-168.6-173.20112.3
394V29.8Very low30.2Very low136 Ų136141.9 Ų141.982%0.82480%0.795SS**  trans83.4136.2-173.2-173.70000113.4
395S27.4Very low30.1Very low88 Ų88144.3 Ų144.362%0.61579%0.793SS**  cis-174.2170.5-45.954.50000109.5
396L28.3Very low30Very low155 Ų155143.2 Ų143.281%0.81279%0.786SS**  trans73.6150.3164.9-57.6168.3000116
397S28.7Very low30Very low98 Ų98137.5 Ų137.569%0.68578%0.778SS**  cis-171.4178.1-27.1-112.20000111.8
398L33.4Very low30.1Very low157 Ų157134.9 Ų134.982%0.82278%0.777SS**  trans78.6109.9173.6-93.957.9000114.6
399A32.1Very low29.9Very low83 Ų83133.5 Ų133.569%0.68677%0.774SS**  cis67.214132.600000113.3
400N30Very low30.3Very low146 Ų146130.2 Ų130.278%0.78177%0.767SS**  cis-143.5-167.46-138.5-8.1000108.5
401I33.1Very low30.4Very low131 Ų131131.6 Ų131.667%0.67277%0.77SS**  cis-146.2138.923.3-50.5158.9000110.1S403I401-S403 WeakPolarHBondContact CG2-OG 3.47Å
402V31.5Very low31Very low142 Ų142129.8 Ų129.886%0.86177%0.771SS**  trans-131118147.3170.80000107.2
403S29.9Very low31Very low97 Ų97134.3 Ų134.368%0.67877%0.77SS**  trans-120.6110.1-172.8-72.80000113I401I401-S403 WeakPolarHBondContact CG2-OG 3.47Å
404K32.6Very low31.5Very low194 Ų194130.1 Ų130.184%0.84376%0.764SS**  trans-72.6146.8149.7-59.9172.2-178.91760108.4
405N27.1Very low31.7Very low155 Ų155130.7 Ų130.783%0.82976%0.758SS**  trans175.2160.3160.7-96.9-7.9000108.6
406S26.9Very low32.2Very low94 Ų94134.7 Ų134.766%0.65777%0.771SS**  cis-176.1155-31.650.40000107.7
407V31.7Very low32.6Very low129 Ų129132.6 Ų132.678%0.78277%0.767SS**  trans-56.2148.4-178.2-176.90000113.7
408P32.4Very low32.9Very low127 Ų127131.6 Ų131.683%0.82577%0.772SS**  trans-125.6162.9131.937.7-31.6000113.2
409S27.6Very low32.9Very low115 Ų115128.3 Ų128.380%0.80477%0.767SS**  trans-144.1136.2-176.5171.20000109.7
410A34.7Very low33.2Very low79 Ų79134 Ų13465%0.65378%0.777SS**  trans-169.3119.316300000112.6
411D35.2Very low33.2Very low154 Ų154131.3 Ų131.382%0.82478%0.775SS**  trans72.5147.4131.1-48.8-24.5000125.2
412D38Very low33.2Very low171 Ų171130.9 Ų130.991%0.91478%0.778SS**  trans78.1124.8167.6-72.8-32.2000124.3
413F31.1Very low33.1Very low165 Ų165129.4 Ų129.472%0.72477%0.766SS**  trans-100.8-171.7178.3-133.2-128.2000108.6E415F413-E415 HydrophobicContact CE1-CG 3.96Å; F413-E415 HydrophobicContact CZ-CG 4.05Å
414P40.3Very low33.1Very low116 Ų116132.7 Ų132.775%0.75377%0.77SS**  cis-138.9174.714.642.4-22.6000118.8
415E34.2Very low33.4Very low149 Ų149128 Ų12870%0.69676%0.761SS**  trans-75.8170.2167.6-54.9172.299.800113.8F413F413-E415 HydrophobicContact CE1-CG 3.96Å; F413-E415 HydrophobicContact CZ-CG 4.05Å
416L37Very low33.5Very low171 Ų171128 Ų12890%0.89576%0.762SS**  trans-165.6160.6137.7-94.9-172.8000109.9
417P37Very low34Very low112 Ų112128.1 Ų128.173%0.72777%0.769SS**  -142.2173.3-127.742.9-24.5000119.2
418G36Very low34.3Very low76 Ų76126 Ų12678%0.78476%0.764SS**  trans90170.2148.900000118.4
419A32.4Very low34.5Very low88 Ų88127.4 Ų127.473%0.72777%0.765SS**  cis-171.1171.5-14.800000111.4
420K38Very low35Very low202 Ų202128.4 Ų128.488%0.87876%0.761SS**  trans81.8116170.4-53.6170.5-174.6176.80114.4
421A30.7Very low35Very low90 Ų90128.6 Ų128.674%0.74476%0.763SS**  85.9146.567.800000111.7
422V33.8Very low35Very low122 Ų122124.6 Ų124.674%0.73975%0.751SS**  -162.5135.357.3158.50000112.4
423N29.2Very low34.7Very low112 Ų112121.6 Ų121.660%0.59974%0.742SS**  trans47.6128.9142.5-60.834.6000123.2
424E30.1Very low34.5Very low165 Ų165125.1 Ų125.177%0.77175%0.751SS**  98.2156.490.2-75.9171.5162.700113.4
425S37.9Very low34.3Very low95 Ų95127.4 Ų127.466%0.66475%0.749SS**  cis-158.3145.34.228.40000115.5
426N30.4Very low34.2Very low156 Ų156128 Ų12883%0.83475%0.752SS**  trans42.1128.2130.8-47-21.6000125.8
427A37Very low34Very low97 Ų97126.7 Ų126.780%0.80275%0.751SS**  176.4130.8126.200000109.1
428A36.5Very low33.8Very low84 Ų84129.2 Ų129.269%0.69475%0.753SS**  cis97.6135.534.700000113
429D37.9Very low33.6Very low157 Ų157129.6 Ų129.684%0.8474%0.744SS**  cis-157.6176-16.7-79.2-39.4000106.1
430D37.4Very low33.7Very low136 Ų136134 Ų13473%0.72775%0.746SS**  cis-139.2-166.86.7-157.939.4000106.7
431A34.3Very low33.5Very low82 Ų82133.8 Ų133.868%0.67875%0.745SS**  cis73.9159.216.500000117.4
432A36.9Very low33.5Very low71 Ų71138 Ų13859%0.58775%0.747SS**  cis-158.3150-1.500000115.4
433C30.8Very low33.5Very low107 Ų107135.1 Ų135.172%0.72374%0.736SS**  trans54.8172.8135.9-133.70000119.2
434W27.8Very low33.6Very low239 Ų239137 Ų13791%0.90575%0.746SS**  cis-153.9177.648.5-89.171.3000113.8
435K34.3Very low33.7Very low164 Ų164132.2 Ų132.271%0.71374%0.741SS**  trans-96149.6-155.7-55.8166.8176.3167.40118.1
436Q32.3Very low33.6Very low161 Ų161134.5 Ų134.575%0.75275%0.751SS**  59131.3124.2-174.3-179.65.900123.1
437V33Very low34.2Very low144 Ų144132.5 Ų132.587%0.87375%0.747SS**  trans-166.2166.3136.7134.10000110.7
438Q32.4Very low34.5Very low165 Ų165133.5 Ų133.577%0.77175%0.745SS**  trans-113.7166.2-168.1-60.8-179.3-11.400115.9
439S32.2Very low34.2Very low85 Ų85133.5 Ų133.559%0.59475%0.745SS**  trans116.1117.5133.5-83.70000122
440K34.3Very low33.8Very low179 Ų179135.5 Ų135.578%0.77875%0.749SS**  trans75119.2132.1-63.7168.2-174.41690122.7
441K34.3Very low33.6Very low199 Ų199132.8 Ų132.887%0.86575%0.753SS**  trans62.6161.4140.9-66.8-176.5176-178.30116.7
442K30.1Very low33.5Very low177 Ų177134.4 Ų134.477%0.7776%0.759SS**  cis-163.7165.7-20.1-119.6-132149.1-155.90105.7
443A33.8Very low33.4Very low62 Ų62138.3 Ų138.351%0.51277%0.769SS.*  cis-179.2175.3-37.800000107.9
444N32Very low33.4Very low151 Ų151141.9 Ų141.981%0.80777%0.772SS**  trans74.3149.5-177.3-38.8-13000113.1
445G31.6Very low33.7Very low66 Ų66136.6 Ų136.668%0.6877%0.766SS**  cis159.8145.6-13.700000114.7
446V35.6Very low33.5Very low143 Ų143138.5 Ų138.587%0.86778%0.775SS**  trans74.9133159.3-162.50000118.2
447P42.9Very low34Very low114 Ų114136 Ų13674%0.7477%0.772SS**  trans-90.7-157.1172.842.4-39.5000111
448P43.1Very low34.6Very low117 Ų117134.4 Ų134.476%0.7677%0.765SS**  cis-144.8-165.34.942.7-20.3000117.6
449A30.6Very low34.8Very low84 Ų84132.4 Ų132.469%0.69476%0.764SS**  trans95.6141143.700000122.7
450E29.8Very low34.9Very low200 Ų200133.8 Ų133.894%0.93577%0.769SS**  trans62.8143.6152.5-70.7174.1-153.600122.7
451G33.8Very low35Very low79 Ų79134.4 Ų134.481%0.81477%0.774SS**  trans146.9112.6168.900000115.4
452S32.6Very low35Very low115 Ų115127.9 Ų127.980%0.80476%0.764SS**  trans-105.2163.4172.4-71.10000112.2
453I35.2Very low35.3Very low154 Ų154125.3 Ų125.379%0.7977%0.768SS**  159.5113.2127.2-79.8156000115
454K30.4Very low35.4Very low181 Ų181127.5 Ų127.579%0.78778%0.78SS**  trans40148.5135.2-52.4-177.8177.3179.20126.1
455T32.6Very low35.6Very low128 Ų128125 Ų12579%0.78577%0.774SS**  trans68122.9144.639.80000120
456K32.1Very low35.8Very low205 Ų205127.7 Ų127.789%0.89178%0.782SS**  cis92.5150.146.2-87.3-147168.5-175.70115.6
457P42.7Very low35.7Very low108 Ų108125 Ų12570%0.70178%0.775SS**  trans-117.5-138.5-144.945.7-32.7000112.4
458P44.3Very low35.3Very low111 Ų111125.6 Ų125.672%0.72178%0.777SS**  cis-131.8-152.6-21.440.1-20000113.5
459V36.1Very low35Very low123 Ų123126.3 Ų126.375%0.74578%0.778SS**  trans165.5113.4132.7157.20000117.1
460T34.1Very low35.4Very low114 Ų114126.8 Ų126.870%0.69978%0.777SS**  trans16.7144.1146.469.30000127.6
461Q37.5Very low35.8Very low191 Ų191126.2 Ų126.289%0.89377%0.771SS**  161.6139.5100.5-81.9-152.3-0.400117.2
462G34.5Very low35.8Very low63 Ų63128.1 Ų128.165%0.64977%0.767SS**  trans127.997.5130.300000124.4
463S35.8Very low36Very low123 Ų123131.1 Ų131.186%0.8677%0.768SS**  trans66.4165.6144.970.40000120.9
464S36.8Very low35.9Very low108 Ų108131.9 Ų131.976%0.75577%0.769SS**  cis-179.2173.9-27.864.30000109.1
465S36.1Very low36.2Very low98 Ų98133.4 Ų133.469%0.68578%0.775SS**  cis-172.8163.8-3659.40000111.8
466S35.6Very low36Very low122 Ų122131.4 Ų131.485%0.85377%0.766SS**  trans74.4152.9166.780.50000119.2
467A33.6Very low36.2Very low86 Ų86130 Ų13071%0.71177%0.768SS**  cis-165.1167.9-21.200000108.9
468V35Very low35.7Very low128 Ų128133.1 Ų133.178%0.77677%0.77SS**  166.9127.491.7155.90000111.7
469V35.9Very low35.1Very low131 Ų131132.9 Ų132.979%0.79477%0.771SS**  trans51.9150146.5171.90000122.4
470S39.1Very low34.8Very low94 Ų94133.8 Ų133.866%0.65778%0.777SS**  cis-177.8146.2-34.8-66.90000108
471K37.7Very low34.7Very low188 Ų188135.5 Ų135.582%0.81779%0.787SS**  174.2133.186.3-96160.6179.4166.90108.5
472T34.1Very low34.4Very low119 Ų119130.5 Ų130.573%0.7378%0.779SS**  55127.994.4-17.50000114.4
473Q37.3Very low34.1Very low178 Ų178136.2 Ų136.283%0.83279%0.786SS**  cis-142.3149.431-61.7162.36.900109.9
474Q32.9Very low33.9Very low171 Ų171138.7 Ų138.780%0.79979%0.788SS**  cis9295.136.3-154.1-171.935.800115.9
475K35.5Very low33.4Very low212 Ų212138.4 Ų138.492%0.92278%0.782SS**  trans174136.3145-96155.9-173.3175.60109.9
476S30.4Very low33.3Very low86 Ų86141.4 Ų141.460%0.60179%0.79SS**  cis133.676.1-10.6175.50000112.8
477L34.5Very low33Very low175 Ų175138.9 Ų138.992%0.91678%0.783SS**  trans-148.598.9151.2-71.3-178.8000106.3
478K32.3Very low33Very low175 Ų175140.4 Ų140.476%0.76179%0.786SS**  70.178.462.1-68.3-161.8172.3-174.10116.2
479S31.9Very low33.2Very low105 Ų105138.7 Ų138.773%0.73478%0.776SS**  61.3118.8123.665.20000121.3
480T30.3Very low33.6Very low142 Ų142135.9 Ų135.987%0.87176%0.759SS**  -145.9112.6125.926.50000110.1
481V32.4Very low33.6Very low151 Ų151135 Ų13592%0.91574%0.744SS**  trans-98.2125166.8170.70000107.9
482A31.1Very low34.4Very low86 Ų86133.2 Ų133.271%0.71174%0.738SS**  trans-138.562.6-174.500000113.2
483K29.1Very low35.1Very low183 Ų183132.9 Ų132.980%0.79673%0.729SS**  trans39.586.4145.6-170.2-179.7179.8175.10116.3
484L30.7Very low35.5Very low175 Ų175124.8 Ų124.892%0.91669%0.692SS**  trans-99.6115.7158.3-68.5178.8000110.1
485T27.2Very low36.4Very low101 Ų101116.8 Ų116.862%0.6266%0.655SS**  trans-101.1132.8153.649.90000106.6
486N33.1Very low37.2Very low161 Ų161108.8 Ų108.886%0.86163%0.625SS**  trans159.8129.3143.9-81.5-14.8000112
487G29.8Very low38.1Very low69 Ų69104.9 Ų104.971%0.71160%0.597SS**  trans75.1154.2152.800000118.2
488P33.6Very low38.9Very low119 Ų11996.6 Ų96.677%0.77355%0.554SS**PPolyproline II helixtrans-74.713315932.1-31.1000109.3T490P488-T490 PolarHBondContact O-N 3.11Å
489T39.2Very low39Very low91 Ų9189 Ų8956%0.55853%0.525SS*.PPolyproline II helixtrans-63.9127.4178.148.40000111
490T43.6Very low39.1Very low72 Ų7289.5 Ų89.544%0.44253%0.529SS..PPolyproline II helixtrans-72.8159.9177.162.90000112P488 E492 E493 A494P488-T490 PolarHBondContact O-N 3.11Å; T490-E492 PolarHBondContact O-N 3.39Å; T490-E492 VanDerWaalsContact O-N 3.12Å; T490-E493 WeakPolarHBondContact CB-OE2 3.42Å; T490-E493 WeakPolarHBondContact CG2-OE2 3.44Å; T490-E493 PolarHBondContact N-OE2 3.19Å; T490-E493 PolarHBondContact O-N 3.14Å; T490-E493 VanDerWaalsContact OG1-CD 3.26Å; T490-E493 VanDerWaalsContact OG1-CG 3.31Å; T490-E493 WeakPolarHBondContact OG1-CG 3.38Å; T490-E493 PolarHBondContact OG1-OE2 3.09Å; T490-A494 PolarHBondContact O-N 3.12Å
491F39Very low39.1Very low75 Ų7588.2 Ų88.233%0.32953%0.525SS..Hα-helixtrans-54.9-29.9177.8171.5-103.3000113.8F495 R849 F850 F853F491-F495 PolarHBondContact O-N 2.91Å; F491-R849 HydrophobicContact CZ-CG 4.4Å; F491-F850 HydrophobicContact CD2-CD2 4.49Å; F491-F850 HydrophobicContact CE2-CB 4.49Å; F491-F850 AromaticContact CE2-CD2 3.94Å; F491-F850 HydrophobicContact CE2-CD2 3.94Å; F491-F850 HydrophobicContact CZ-CB 4.18Å; F491-F850 HydrophobicContact CZ-CD2 4.06Å; F491-F853 AromaticContact CD2-CD1 3.65Å; F491-F853 HydrophobicContact CD2-CD1 3.65Å; F491-F853 HydrophobicContact CD2-CE1 4.1Å; F491-F853 HydrophobicContact CD2-CG 4.21Å; F491-F853 HydrophobicContact CE2-CB 4.04Å; F491-F853 AromaticContact CE2-CD1 3.92Å; F491-F853 HydrophobicContact CE2-CD1 3.92Å; F491-F853 HydrophobicContact CE2-CG 4.17Å
492E54.9Low39.1Very low151 Ų15185.8 Ų85.871%0.70652%0.515SS*.Hα-helixtrans-78-36.3177.4-61.7-174.3131.700111.8T490 P496T490-E492 PolarHBondContact O-N 3.39Å; T490-E492 VanDerWaalsContact O-N 3.12Å; E492-P496 WeakPolarHBondContact O-CD 3.07Å; E492-P496 VanDerWaalsContact O-CG 3.28Å; E492-P496 WeakPolarHBondContact O-CG 3.24Å
493E49.2Very low39Very low113 Ų11388.7 Ų88.753%0.52852%0.524SS..Hα-helixtrans-75.3-26.3175.3-68.9165.7133.800113.7T490 P496T490-E493 WeakPolarHBondContact CB-OE2 3.42Å; T490-E493 WeakPolarHBondContact CG2-OE2 3.44Å; T490-E493 PolarHBondContact N-OE2 3.19Å; T490-E493 PolarHBondContact O-N 3.14Å; T490-E493 VanDerWaalsContact OG1-CD 3.26Å; T490-E493 VanDerWaalsContact OG1-CG 3.31Å; T490-E493 WeakPolarHBondContact OG1-CG 3.38Å; T490-E493 PolarHBondContact OG1-OE2 3.09Å; E493-P496 VanDerWaalsContact C-CD 3.46Å; E493-P496 WeakPolarHBondContact O-CD 3.4Å; E493-P496 WeakPolarHBondContact O-CG 3.49Å
494A45.9Very low39.1Very low8 Ų887.5 Ų87.57%0.06653%0.525CS..Hα-helixtrans-73.5-40.817500000112.5T490 F853 C869T490-A494 PolarHBondContact O-N 3.12Å; A494-F853 HydrophobicContact CB-CE2 4.32Å; A494-C869 PolarHBondContact O-SG 3.19Å; A494-C869 VanDerWaalsContact O-SG 3.35Å
495F51.4Low39.1Very low2 Ų285 Ų851%0.00952%0.517CS..  trans-118.944.9-178.5-77.7-99.5000116.6F491 A497 L498 R849 F852 F853 L856 L868 C869F491-F495 PolarHBondContact O-N 2.91Å; F495-A497 PolarHBondContact O-N 2.82Å; F495-A497 VanDerWaalsContact O-N 3.11Å; F495-L498 HydrophobicContact CD1-CD1 3.83Å; F495-L498 HydrophobicContact CD1-CG 4.27Å; F495-L498 PolarHBondContact O-N 3.42Å; F495-L498 VanDerWaalsContact O-N 3.08Å; F495-R849 VanDerWaalsContact O-CZ 3.23Å; F495-R849 PolarHBondContact O-NH1 2.88Å; F495-R849 PolarHBondContact O-NH2 3.29Å; F495-F852 HydrophobicContact CE1-CE1 4.34Å; F495-F853 AromaticContact CD2-CD2 3.63Å; F495-F853 HydrophobicContact CD2-CD2 3.63Å; F495-F853 HydrophobicContact CD2-CE2 4.01Å; F495-F853 HydrophobicContact CD2-CG 4.38Å; F495-F853 AromaticContact CE2-CD2 3.23Å; F495-F853 HydrophobicContact CE2-CD2 3.23Å; F495-F853 AromaticContact CE2-CE2 3.58Å; F495-F853 HydrophobicContact CE2-CE2 3.58Å; F495-F853 HydrophobicContact CE2-CG 4.3Å; F495-F853 HydrophobicContact CZ-CD2 4.04Å; F495-L856 HydrophobicContact CE1-CD1 4.2Å; F495-L856 HydrophobicContact CZ-CD1 3.69Å; F495-L868 HydrophobicContact CE1-CD2 4.46Å; F495-L868 HydrophobicContact CZ-CD2 3.98Å; F495-C869 VanDerWaalsContact CE2-SG 3.59Å
496P51.9Low39Very low45 Ų4587.9 Ų87.929%0.29253%0.529SS..G310 helixtrans-58.5-22.6169.4-20.230.6000112.8E492 E493 L498 G499 L873 K876E492-P496 WeakPolarHBondContact O-CD 3.07Å; E492-P496 VanDerWaalsContact O-CG 3.28Å; E492-P496 WeakPolarHBondContact O-CG 3.24Å; E493-P496 VanDerWaalsContact C-CD 3.46Å; E493-P496 WeakPolarHBondContact O-CD 3.4Å; E493-P496 WeakPolarHBondContact O-CG 3.49Å; P496-L498 PolarHBondContact O-N 3.06Å; P496-L498 VanDerWaalsContact O-N 3.07Å; P496-G499 PolarHBondContact O-N 3.22Å; P496-G499 VanDerWaalsContact O-N 3.15Å; P496-L873 HydrophobicContact CB-CD2 3.81Å; P496-L873 HydrophobicContact CG-CD2 3.83Å; P496-K876 PolarHBondContact O-NZ 3.2Å
497A48.8Very low38.7Very low3 Ų384.5 Ų84.53%0.02552%0.524CS..G310 helixtrans-46.1-34.6170.700000112.9F495 C872 W909 N910F495-A497 PolarHBondContact O-N 2.82Å; F495-A497 VanDerWaalsContact O-N 3.11Å; A497-C872 HydrophobicContact CB-CB 4.04Å; A497-W909 HydrophobicContact CB-CH2 4.08Å; A497-W909 HydrophobicContact CB-CZ3 4.36Å; A497-N910 PolarHBondContact O-OD1 3.41Å; A497-N910 VanDerWaalsContact O-OD1 3.11Å
498L51.5Low38.6Very low1 Ų187 Ų871%0.00553%0.527CS..G310 helixtrans-112.623.3-172.8-48-179.9000112.6F495 P496 F845 R849 L908 W909F495-L498 HydrophobicContact CD1-CD1 3.83Å; F495-L498 HydrophobicContact CD1-CG 4.27Å; F495-L498 PolarHBondContact O-N 3.42Å; F495-L498 VanDerWaalsContact O-N 3.08Å; P496-L498 PolarHBondContact O-N 3.06Å; P496-L498 VanDerWaalsContact O-N 3.07Å; L498-F845 HydrophobicContact CB-CZ 4.32Å; L498-R849 HydrophobicContact CD1-CG 3.95Å; L498-R849 PolarHBondContact O-NH1 2.61Å; L498-L908 HydrophobicContact CD1-CB 4.37Å; L498-L908 WeakPolarHBondContact CD2-O 3.26Å; L498-W909 HydrophobicContact CD2-CE3 4.26Å
499G34Very low38.5Very low15 Ų1587.3 Ų87.316%0.15553%0.527CS..SBendtrans-128.9147.7-17700000114.6P496 K876 N910P496-G499 PolarHBondContact O-N 3.22Å; P496-G499 VanDerWaalsContact O-N 3.15Å; G499-K876 PolarHBondContact O-NZ 3.45Å; G499-N910 PolarHBondContact N-ND2 3.13Å; G499-N910 PolarHBondContact O-ND2 2.91Å
500S34.6Very low38.2Very low116 Ų11688 Ų8881%0.81154%0.535SS*.  trans35.5109.7162.548.10000118.9
501S30.3Very low37.6Very low115 Ų11590.6 Ų90.680%0.80456%0.556SS**  trans-141.176.7162.8-165.10000111.3
502S32.5Very low37.2Very low101 Ų10190.3 Ų90.371%0.70658%0.575SS**  trans-15246.6178.3510000112.8I504S502-I504 PolarHBondContact O-N 3.35Å
503T28.3Very low36.2Very low147 Ų14792.4 Ų92.490%0.90258%0.576SS**  trans-7369.1171.1-48.80000110.9
504I30.7Very low35.2Very low158 Ų15895.6 Ų95.681%0.8158%0.583SS**PPolyproline II helixtrans-87.3131.7171.7-63.2-176.7000109.2S502S502-I504 PolarHBondContact O-N 3.35Å
505T30.6Very low34.5Very low123 Ų123101.7 Ų101.776%0.75561%0.614SS**PPolyproline II helixtrans-71.4145.9-165.648.90000114.7
506N26.7Very low33.6Very low160 Ų160106.7 Ų106.786%0.85665%0.648SS**PPolyproline II helixtrans-48.7134.9178.3-60.6-82.9000115.5
507A26.4Very low32.7Very low91 Ų91110 Ų11075%0.75267%0.67SS**  trans-144.786.615800000110.6
508P27.8Very low31.8Very low120 Ų120116.6 Ų116.678%0.77971%0.71SS**  trans-87.7127.2-173.932.8-32.7000112.6
509V31.1Very low30.9Very low127 Ų127120.1 Ų120.177%0.7774%0.739SS**  trans-132.190.1179.9-173.60000112.7
510S32.4Very low30.7Very low105 Ų105126.2 Ų126.273%0.73477%0.774SS**  trans62.9145.815271.70000120.1
511S32.1Very low30.7Very low126 Ų126124.3 Ų124.388%0.88177%0.772SS**  cis-168.3138.4-12.3-990000110
512G30.9Very low30.8Very low70 Ų70128.7 Ų128.772%0.72278%0.776SS**  trans155.561.9173.500000115.7
513R32.9Very low30.9Very low194 Ų194130.1 Ų130.173%0.73278%0.783SS**  59.2126.197.1-88-174.9163.5-169.4-2.6114.8
514W28.8Very low31.2Very low180 Ų180128 Ų12868%0.68278%0.781SS**  cis-156.1153.620-73.5109.1000114.9
515I30.8Very low31.4Very low137 Ų137127.9 Ų127.970%0.70378%0.782SS**  trans64.1134135.8-66.6166.7000122
516S31.9Very low31.6Very low106 Ų106130.5 Ų130.574%0.74178%0.783SS**  trans-114.7171.4165.4-35.70000111.4
517P33.4Very low32Very low115 Ų115133 Ų13375%0.74779%0.786SS**  trans-131152.41317.915.1000112
518V30.1Very low32.3Very low142 Ų142131.7 Ų131.786%0.86178%0.781SS**  72.2129.751.3-179.90000110.6
519A32Very low32.4Very low75 Ų75133.7 Ų133.762%0.6279%0.785SS**  cis-156.5147.527.600000117.8
520T31.1Very low32.3Very low143 Ų143132.4 Ų132.488%0.87778%0.781SS**  trans42.3130.6131.764.10000125.7
521G33.6Very low32.5Very low75 Ų75135.1 Ų135.177%0.77378%0.782SS**  trans125147134.800000116.6
522K33.4Very low32.5Very low207 Ų207137.3 Ų137.390%0.978%0.778SS**  cis-153158.1-10.2-93.9179.9179.81720109.2
523P34.9Very low32.4Very low131 Ų131142 Ų14285%0.85179%0.786SS**  trans-104.7151.7-168.238.6-35000117.1
524A34.1Very low32.4Very low104 Ų104137.2 Ų137.286%0.8678%0.783SS**  trans-169.5162.6164.500000109.3
525N34.9Very low32.6Very low154 Ų154137.4 Ų137.482%0.82479%0.788SS**  cis-158167.4-36.5-169.23.6000107.7
526K35.3Very low32.6Very low178 Ų178139.2 Ų139.277%0.77479%0.794SS**  trans-79.3150.1-172.4-54166.1-178.5176.70113.9
527K35.1Very low32.4Very low213 Ų213139.5 Ų139.593%0.92679%0.786SS**  trans145.8156.2132.2-79.3163.3-177.6-177.40114.7
528G32.3Very low32.2Very low63 Ų63143.4 Ų143.465%0.64979%0.791SS**  trans113.197.6173.600000111.9
529L29.9Very low31.9Very low163 Ų163141 Ų14185%0.85378%0.781SS**  51.4118.382.6-76.484.5000113.3
530S28.3Very low31.9Very low99 Ų99143.3 Ų143.369%0.69279%0.787SS**  cis92.5103.128.2-167.70000115.5
531Q36.3Very low31.8Very low163 Ų163141.5 Ų141.576%0.76278%0.776SS**  trans-177130.2152.4-97.5144.584.400105.6
532Q32.3Very low31.6Very low171 Ų171144.4 Ų144.480%0.79977%0.774SS**  cis100.1157.646.8-85.2-167-64.300113
533L29.9Very low31.4Very low168 Ų168142.1 Ų142.188%0.8877%0.766SS**  trans74.3136-175.2-54127.6000114.2
534S32.4Very low31.3Very low95 Ų95143.6 Ų143.666%0.66477%0.767SS**  cis-151.8136.3-14.6-83.70000107.7
535K32.3Very low31.2Very low184 Ų184148.9 Ų148.980%0.877%0.767SS**  47.3112.887.3-87.2-167.7175.7-172.80115.4
536E31.5Very low31.1Very low174 Ų174147.4 Ų147.481%0.81377%0.765SS**  -172.5110.1120.6-75.4-107.6120.700104.4
537I27.6Very low30.9Very low112 Ų112144.4 Ų144.457%0.57476%0.762SS**  62.5100.973.5-54.2169.4000112.7
538F29Very low30.6Very low198 Ų198142.4 Ų142.487%0.86876%0.76SS**  -169.8159112.5-109.2-75.9000111.3
539S24.6Very low30.4Very low92 Ų92142.7 Ų142.764%0.64376%0.763SS**  trans-124154.3-177.955.90000110.8
540T30.6Very low30.4Very low122 Ų122144.4 Ų144.475%0.74877%0.767SS**  trans168.8130.1132.236.60000112.8
541T28.7Very low30.4Very low106 Ų106145.4 Ų145.465%0.6577%0.771SS**  21.2150.4127.161.10000120.7
542D29.5Very low30.2Very low135 Ų135145 Ų14572%0.72278%0.779SS**  cis-171.6176.9-1.5-99.1-10.7000108.8
543E30.2Very low30.2Very low159 Ų159140.9 Ų140.974%0.74377%0.774SS**  trans37.7131.9159.2-54.1-45.874.400122.5
544D33.4Very low29.9Very low162 Ų162138.8 Ų138.887%0.86677%0.768SS**  178.8136.2105-101.5-27.8000112.8
545Y30.8Very low29.9Very low216 Ų216140.3 Ų140.385%0.84778%0.779SS**  trans-140.6132.6176.4-135.4-70.7000108.8
546P33.9Very low29.6Very low122 Ų122136.9 Ų136.979%0.79278%0.778SS**  trans-110.3147.2166.535.2-27.5000112.6
547V30.6Very low29.7Very low116 Ų116133.3 Ų133.370%0.70378%0.778SS**  trans-131.3163.8-179.5-172.30000108.4
548L28.2Very low29.6Very low170 Ų170135 Ų13589%0.8979%0.789SS**  trans77.2139.2175.6-43.5170.6000114.5
549G27.7Very low29.9Very low69 Ų69133.5 Ų133.571%0.71178%0.784SS**  cis136.2135.9-900000113.3
550Q30.3Very low30.2Very low199 Ų199138.7 Ų138.793%0.9380%0.796SS**  trans-163.9147.4164.2-113.5167.922.200112.1
551P28.9Very low30.2Very low120 Ų120136 Ų13678%0.77979%0.792SS**  trans-107154.8-175.739.1-33.1000114.5
552V32.4Very low30.3Very low154 Ų154138.9 Ų138.993%0.93380%0.804SS**  trans-138.5153.2163.5-1760000109
553A31Very low30.6Very low85 Ų85139.1 Ų139.170%0.70281%0.805SS**  trans-103.6147.6-156.800000117.2
554V25.2Very low30.7Very low124 Ų124139.6 Ų139.675%0.75281%0.812SS**  trans36.9118.8137-175.30000119.4
555S31.1Very low30.7Very low128 Ų128135 Ų13590%0.89580%0.802SS**  trans-152128.7132.8-77.60000109.3
556S27.3Very low31Very low112 Ų112129.5 Ų129.578%0.78379%0.791SS**  trans-99.1146.1-169.5-490000112.8
557A32.1Very low31.1Very low98 Ų98125.1 Ų125.181%0.8176%0.763SS**  trans-146.5138.8154.200000108.7
558N26.9Very low31.3Very low149 Ų149124.5 Ų124.580%0.79775%0.751SS**  trans-77.4160.2176.2-59.2-14.7000109.2
559E33.6Very low31.9Very low166 Ų166119.2 Ų119.278%0.77673%0.728SS**  -178.3146.977.6-88.8-178.317100110.9
560F32.5Very low32.5Very low201 Ų201119.2 Ų119.288%0.88271%0.712SS**  trans21.7144.9160.5-56.4-84.7000121.7
561G30.1Very low33.1Very low65 Ų65114.5 Ų114.567%0.6770%0.697SS**  cis162.5149.83.800000109.7
562D31.3Very low33.4Very low167 Ų167115.1 Ų115.189%0.89369%0.692SS**  trans-81.9139.4-161.3-48.8-101.9000115.7
563D35.1Very low33.7Very low139 Ų139114.3 Ų114.374%0.74368%0.677SS**  trans-163.7122.7138.6-130.4-30.1000111.5
564L33.4Very low33.8Very low170 Ų170115.9 Ų115.989%0.8968%0.678SS**  trans-132.636.5172.5-78.6-179.2000112.1V566L564-V566 PolarHBondContact O-N 2.64Å
565G33.1Very low34.2Very low64 Ų64115 Ų11566%0.6667%0.673SS**  trans-75.678168.600000112.7S567G565-S567 PolarHBondContact O-N 2.77Å
566V36.9Very low34.4Very low101 Ų101116.5 Ų116.561%0.61266%0.663SS**  trans-68.5100.3175.4-177.20000110.2L564 V571L564-V566 PolarHBondContact O-N 2.64Å; V566-V571 HydrophobicContact CG1-CG2 3.5Å
567S35.2Very low34.5Very low30 Ų30120.6 Ų120.621%0.2167%0.667CS.*  trans-72.3158.4173.286.30000111.4G565 S569 D570G565-S567 PolarHBondContact O-N 2.77Å; S567-S569 PolarHBondContact O-N 3.29Å; S567-S569 VanDerWaalsContact O-N 3.17Å; S567-S569 WeakPolarHBondContact OG-CB 3.38Å; S567-S569 PolarHBondContact OG-N 3.25Å; S567-S569 VanDerWaalsContact OG-N 3.15Å; S567-D570 WeakPolarHBondContact CB-OD2 3.38Å; S567-D570 PolarHBondContact O-N 2.67Å; S567-D570 PolarHBondContact OG-N 3.24Å; S567-D570 PolarHBondContact OG-OD2 3.29Å
568F35Very low34.5Very low104 Ų104122.3 Ų122.346%0.45667%0.671SS.*THydrogen-bonded Turntrans-66.7-16.9175-161-103.8000111.9
569S41.4Very low34.8Very low58 Ų58124.3 Ų124.341%0.40668%0.675SS.*THydrogen-bonded Turntrans-81.4-18.9177-69.70000114.6S567 K573S567-S569 PolarHBondContact O-N 3.29Å; S567-S569 VanDerWaalsContact O-N 3.17Å; S567-S569 WeakPolarHBondContact OG-CB 3.38Å; S567-S569 PolarHBondContact OG-N 3.25Å; S567-S569 VanDerWaalsContact OG-N 3.15Å; S569-K573 VanDerWaalsContact O-CD 3.26Å; S569-K573 WeakPolarHBondContact O-CD 3.41Å; S569-K573 WeakPolarHBondContact O-CE 3.49Å; S569-K573 WeakPolarHBondContact O-CG 3.14Å; S569-K573 PolarHBondContact O-NZ 2.85Å
570D38.9Very low34.8Very low69 Ų69125.1 Ų125.137%0.36968%0.679SS.*THydrogen-bonded Turntrans-99.9-25.9-171.8-61.1-46.3000113.6S567 L572 K573S567-D570 WeakPolarHBondContact CB-OD2 3.38Å; S567-D570 PolarHBondContact O-N 2.67Å; S567-D570 PolarHBondContact OG-N 3.24Å; S567-D570 PolarHBondContact OG-OD2 3.29Å; D570-L572 PolarHBondContact O-N 3.38Å; D570-K573 PolarHBondContact O-N 3.42Å; D570-K573 IonicContact OD1-NZ 3.15Å
571V43Very low35Very low101 Ų101121 Ų12161%0.61267%0.673SS**THydrogen-bonded Turntrans-56.6-19.4168.5-176.20000112.1V566V566-V571 HydrophobicContact CG1-CG2 3.5Å
572L36.6Very low35.4Very low132 Ų132127.4 Ų127.469%0.69168%0.682SS**THydrogen-bonded Turntrans-99.55.5177.2-63.3175.1000114.4D570D570-L572 PolarHBondContact O-N 3.38Å
573K38.9Very low35.9Very low138 Ų138124.6 Ų124.660%0.667%0.673SS**THydrogen-bonded Turntrans-125.6-13.3-172-67.3174.8-168.1156.70115.6S569 D570 T575S569-K573 VanDerWaalsContact O-CD 3.26Å; S569-K573 WeakPolarHBondContact O-CD 3.41Å; S569-K573 WeakPolarHBondContact O-CE 3.49Å; S569-K573 WeakPolarHBondContact O-CG 3.14Å; S569-K573 PolarHBondContact O-NZ 2.85Å; D570-K573 PolarHBondContact O-N 3.42Å; D570-K573 IonicContact OD1-NZ 3.15Å; K573-T575 PolarHBondContact O-N 3.37Å
574T31.6Very low36.2Very low118 Ų118124.2 Ų124.272%0.72468%0.678SS**  trans-94.463.8-173.758.80000114.2
575T33.4Very low36.3Very low105 Ų105123.4 Ų123.464%0.64468%0.675SS**  trans-130.7125.1163.754.80000110.7K573K573-T575 PolarHBondContact O-N 3.37Å
576K35.4Very low36.3Very low159 Ų159124.6 Ų124.669%0.69167%0.673SS**  trans101.298.5178.5-62.7172.9176.5177.60117E664K576-E664 WeakPolarHBondContact CE-OE1 3.42Å; K576-E664 WeakPolarHBondContact CE-OE2 3.25Å; K576-E664 WeakPolarHBondContact CG-OE1 3.46Å; K576-E664 IonicContact NZ-OE2 2.71Å
577K30.7Very low36.3Very low199 Ų199127.6 Ų127.687%0.86569%0.686SS**  -179.994118.8-174179.4179.5-172.60111.6
578C30.8Very low36.2Very low133 Ų133134.4 Ų134.490%0.89971%0.714SS**  trans-132.7149.5161-66.80000109.2
579E33.5Very low36.2Very low191 Ų191135.7 Ų135.789%0.89373%0.733SS**PPolyproline II helixtrans-85.1142-176.1-70.6167.885.100112.1
580E33.6Very low35.6Very low183 Ų183142 Ų14286%0.85575%0.753SS**PPolyproline II helixtrans-89.8120.9-176.2-167.5-173.2150.900111.7
581P37.6Very low35.3Very low115 Ų115145.3 Ų145.375%0.74778%0.775SS**PPolyproline II helixtrans-81.1133.1-179.731.7-33.7000112.4
582K37.9Very low34.8Very low199 Ų199148.3 Ų148.387%0.86578%0.783SS**PPolyproline II helixtrans-73.4133.3-171.8-154.1166.9-165.9157.20112.9
583P42Very low34.4Very low108 Ų108147 Ų14770%0.70179%0.785SS**PPolyproline II helixtrans-73.2146.1178.729.5-35.1000112.6
584P41.1Very low34.1Very low131 Ų131152.4 Ų152.485%0.85180%0.802SS**PPolyproline II helixtrans-81.7155.5173.133.8-34.4000112.5
585D35.2Very low34.1Very low153 Ų153154.1 Ų154.182%0.81881%0.806SS**PPolyproline II helixtrans-97.4151.4-164.4-144.4-17.4000114.1
586S32.9Very low34.1Very low89 Ų89157.3 Ų157.362%0.62282%0.819SS**  trans30.3131.415768.40000122.7
587D37.8Very low33.8Very low165 Ų165157.8 Ų157.888%0.88282%0.822SS**  -162.2142.1116.3-114.4-22000114.2
588Q32.2Very low34.1Very low172 Ų172155.5 Ų155.580%0.80482%0.824SS**  trans-128.4152.4174.2-89.6-164.9-8.400110.9
589P35.1Very low34.1Very low132 Ų132155.8 Ų155.886%0.85781%0.812SS**  trans-121.2140.4152.135.2-25.2000113.7
590K28.6Very low34.5Very low190 Ų190151.3 Ų151.383%0.82680%0.8SS**  trans-84.4147.1175.6-64.6174.7175.1178.80112.9
591V33.9Very low34.8Very low138 Ų138148.4 Ų148.484%0.83680%0.797SS**  trans-146.893.9144.6-175.60000106.4
592E31.2Very low34.8Very low164 Ų164148.1 Ų148.177%0.76679%0.794SS**  69.410193.5-68-154.9137.300117.1
593S28.4Very low34.7Very low106 Ų106146.6 Ų146.674%0.74180%0.795SS**  67.6105122.7-54.60000121.1
594R34.1Very low34.2Very low251 Ų251147.3 Ų147.395%0.94779%0.793SS**  -161.2142113.1-110.9167.7-177.9175.40.8113.6
595N30.1Very low33.6Very low154 Ų154148.2 Ų148.282%0.82479%0.786SS**  trans-77.1151.1178.1-62.1-23.4000111.9
596N34.5Very low33.5Very low171 Ų171149 Ų14991%0.91479%0.789SS**  -155.6150.7125.3-104.3-26.1000111.3
597K29.4Very low33.5Very low170 Ų170152.8 Ų152.874%0.73980%0.796SS**  trans-116.3124.4-170.9176.4-174.6176.5179.10110.7E599K597-E599 IonicContact NZ-OE2 2.75Å
598V35.5Very low33Very low150 Ų150154.1 Ų154.191%0.90979%0.794SS**  trans-141.8141.9165.4-174.50000108.8
599E32.1Very low33.4Very low139 Ų139151.5 Ų151.565%0.6579%0.793SS**  trans-167.8163.9-167.4-154.4-153.4139.200108.1K597K597-E599 IonicContact NZ-OE2 2.75Å
600P41.1Very low33.2Very low98 Ų98151 Ų15164%0.63679%0.789SS**  -101.4-150.9-50.128.9-8.8000109.8
601P40.1Very low33.4Very low122 Ų122150.5 Ų150.579%0.79279%0.794SS**  -145.716475.139.6-22000116.2
602P37.2Very low33.2Very low108 Ų108149.2 Ų149.270%0.70179%0.792SS**  trans-102149.9172.737.5-32000113.8
603L35.4Very low33.2Very low167 Ų167146 Ų14687%0.87479%0.787SS**  trans-146.8111.5167.8-81-178.2000115
604N32.1Very low33.6Very low124 Ų124149.2 Ų149.266%0.66379%0.791SS**  trans22.5137.8140.1-68.239.7000124.9
605E28.3Very low33.6Very low149 Ų149143.1 Ų143.170%0.69678%0.781SS**  54.3117.8128.7-59.4173115.500121.6
606I33.7Very low33.7Very low171 Ų171139.3 Ų139.388%0.87778%0.779SS**  trans-124.4128.5143.7-62.5179.6000107.5
607Q32.3Very low33.7Very low167 Ų167140.2 Ų140.278%0.7877%0.774SS**  trans-122.1125.2-171.4-171.2175.757.100110.1
608F28.4Very low34Very low193 Ų193142.6 Ų142.685%0.84679%0.785SS**PPolyproline II helixtrans-74.6137.1177.6-78.1-87.3000111.4P610F608-P610 WeakPolarHBondContact O-CD 3.25Å
609P40.4Very low33.7Very low118 Ų118139.8 Ų139.877%0.76678%0.777SS**PPolyproline II helixtrans-86.2128.1-178.332.3-33.4000112.8
610P30.8Very low33.8Very low121 Ų121143 Ų14379%0.78679%0.789SS**PPolyproline II helixtrans-94.6129.5165.134.3-28.8000110.8F608F608-P610 WeakPolarHBondContact O-CD 3.25Å
611L32.8Very low33.1Very low179 Ų179143.1 Ų143.194%0.93779%0.792SS**  trans-133.8132.4164.7-80.3178.9000110.9
612S29.1Very low32.6Very low111 Ų111149.5 Ų149.578%0.77680%0.8SS**  trans-107.6161.9-175.9-175.60000111.9
613S30.5Very low32.1Very low97 Ų97153.6 Ų153.668%0.67881%0.807SS**  trans-28151.7171.261.20000118.6
614Q37.7Very low31.8Very low174 Ų174150.7 Ų150.781%0.81380%0.801SS**  -167.7128.4118.6-84.4-119.63.500113.5
615V33.6Very low31.7Very low122 Ų122150.2 Ų150.274%0.73981%0.807SS**  trans48.1124.3139.1-173.20000120.9
616G33.3Very low31.6Very low75 Ų75151.9 Ų151.977%0.77382%0.815SS**  trans-156.4-10.717500000122.5
617K34.9Very low31.6Very low190 Ų190149 Ų14983%0.82681%0.807SS**  trans22.2110.3170.2-62.2176.9-177.6173.20120.3
618K34.2Very low31.4Very low220 Ų220146 Ų14696%0.95781%0.805SS**  -175.4165119.8-103.8163.8-176175.20112.5
619A30.4Very low31.5Very low91 Ų91143.5 Ų143.575%0.75280%0.8SS**  trans-136.8153.4-165.200000114.3
620K33.7Very low31.1Very low205 Ų205147.6 Ų147.689%0.89180%0.8SS**  trans177.4115.1142.4-93.9156-175.1-173.30106.7
621S27.1Very low31Very low101 Ų101147.9 Ų147.971%0.70680%0.8SS**  74.695.661175.10000114.2
622W28.6Very low31Very low256 Ų256144.6 Ų144.697%0.9779%0.787SS**  -153.3152.7129.2-94.5-25000112.1
623K27.2Very low31.2Very low195 Ų195147.3 Ų147.385%0.84879%0.788SS**  trans-92.5170161.4-50.2173.3176.3-1790106.9
624S28.2Very low31.3Very low106 Ų106150.8 Ų150.874%0.74179%0.793SS**  cis-148.2-156.311.9-39.90000107.3
625S30.6Very low31.1Very low113 Ų113149.9 Ų149.979%0.7979%0.793SS**  cis-166.8157.6-3.728.60000109
626E25.9Very low31Very low185 Ų185148.2 Ų148.286%0.86478%0.784SS**  trans-81.1176.1159.9-56.8179.8105.200110.4
627P34.3Very low31.1Very low110 Ų110155 Ų15571%0.71479%0.786SS**  cis-133.8179.81.443.3-26.5000115.9
628S27Very low31Very low103 Ų103152.6 Ų152.672%0.7278%0.782SS**  trans9129.6153.361.80000121.3
629D31.8Very low31.2Very low141 Ų141148 Ų14875%0.75478%0.778SS**  -157.3175.5106.5-137.1-19000114.4
630R30.4Very low31.3Very low204 Ų204149.2 Ų149.277%0.7778%0.781SS**  trans-57.3147.3-164.2-73.9150.2-169.8-142.2-3.8123.1
631T30.1Very low31.7Very low128 Ų128144.5 Ų144.579%0.78577%0.771SS**  82.4153.3127.8550000124.6
632V32.3Very low31.8Very low110 Ų110146.9 Ų146.967%0.66778%0.775SS**  trans104.6126.8153.5-170.20000117.3
633E33Very low32.1Very low167 Ų167141 Ų14178%0.7877%0.766SS**  trans46123162.9-70.2142.3-150.400119.6
634E32.9Very low32.5Very low171 Ų171136.2 Ų136.280%0.79976%0.758SS**  81.3117.251.9-173.5173.5-158.900114.2
635L34.3Very low32.7Very low154 Ų154138.5 Ų138.581%0.80676%0.762SS**  trans177.9104.7145-99.7162000114.2
636T31.4Very low32.9Very low88 Ų88141 Ų14154%0.5477%0.765SS.*  trans28.4128140.163.60000122.8
637R35.4Very low33.1Very low218 Ų218138.4 Ų138.482%0.82376%0.762SS**  168.5112.1118.5-90.7153-170.4149.16.2110.5
638D33Very low33.1Very low139 Ų139141.8 Ų141.874%0.74377%0.768SS**  83.9103.275.2-72.8-42.9000114.1
639S36.8Very low33.5Very low124 Ų124145.8 Ų145.887%0.86778%0.776SS**  trans-179.3127.9141-80.70000112.8
640S33.6Very low33.5Very low116 Ų116145.5 Ų145.581%0.81178%0.779SS**  trans-160.9-166.5169.4-470000106.2
641P41Very low33.7Very low105 Ų105141.5 Ų141.568%0.68278%0.779SS**  cis-131.8-154.7-20.927-1.9000111.5
642L31Very low33.6Very low151 Ų151147.2 Ų147.279%0.79179%0.786SS**  trans75.2153165.3-40.4177.7000114.5
643V34.4Very low33.7Very low132 Ų132147 Ų14780%0.879%0.79SS**  cis-147.6151.522.6165.30000107.7
644S35.3Very low33.7Very low95 Ų95147.5 Ų147.566%0.66479%0.794SS**  cis-169.8-173.9-21.4-83.10000108
645D33.4Very low33.6Very low155 Ų155147.5 Ų147.583%0.82980%0.798SS**  trans-67.4154.4-173.6-45.9-95.1000116.9
646L33.4Very low33.5Very low165 Ų165143.9 Ų143.986%0.86479%0.79SS**  trans-153.5131.1154.2-124.2160.5000110.3
647V30.7Very low33.5Very low130 Ų130145.4 Ų145.479%0.78880%0.801SS**  trans-114.8130.1178.41730000108.1
648E35.1Very low33.3Very low182 Ų182142.7 Ų142.785%0.8580%0.802SS**  trans-157.9162.4155.9-123.7165.3-139.500113.6
649E34.9Very low33.2Very low187 Ų187144.3 Ų144.387%0.87481%0.805SS**  trans-79.4177.1-146.5-53.2-173.5142.400118.4
650V30.7Very low32.9Very low135 Ų135145 Ų14582%0.81880%0.804SS**  trans-101.7140.3179175.80000111.5
651P35.2Very low32.8Very low119 Ų119145.8 Ų145.877%0.77380%0.799SS**  trans-124.3134.5149.411.59.9000113.8
652R28.6Very low32.1Very low249 Ų249147.9 Ų147.994%0.9480%0.803SS**  trans-72.4135.2169.9-65.2168.3168.6168.4-7.8111.1
653S34.3Very low32.2Very low106 Ų106146.3 Ų146.374%0.74180%0.799SS**  trans-163.5174.315263.90000111.6
654M33.4Very low31.9Very low177 Ų177144.9 Ų144.987%0.87278%0.784SS**  trans69.762.5176.4-54.6-59.2174.300117
655I29.9Very low31.8Very low170 Ų170147.2 Ų147.287%0.87279%0.789SS**  trans-80.7125.3150.8-63.3173.2000108
656A32.4Very low31.8Very low79 Ų79145 Ų14565%0.65378%0.781SS**  trans-148.8118.3166.900000109.6L658A656-L658 PolarHBondContact O-N 2.83Å
657P31.3Very low31.8Very low119 Ų119147.9 Ų147.977%0.77378%0.782SS**PPolyproline II helixtrans-78117.1179.830.4-32.5000110.5
658L31.8Very low32Very low161 Ų161152.8 Ų152.884%0.84379%0.786SS**PPolyproline II helixtrans-88.6120170-70.6177.8000110A656 V660A656-L658 PolarHBondContact O-N 2.83Å; L658-V660 PolarHBondContact O-N 3.05Å
659H29.3Very low31.8Very low173 Ų173153.1 Ų153.180%0.80179%0.788SS**PPolyproline II helixtrans-56.6124.5168.6-81.4-152.6000110.2N661H659-N661 PolarHBondContact O-N 3.15Å
660V31Very low31.7Very low138 Ų138147.4 Ų147.484%0.83678%0.779SS**  trans-86.298.8167.8-178.60000108L658L658-V660 PolarHBondContact O-N 3.05Å
661N30.8Very low31.9Very low134 Ų134149 Ų14972%0.71778%0.783SS**  trans-70.1132.8168.7-75.3-24000109.7H659H659-N661 PolarHBondContact O-N 3.15Å
662I27.2Very low31.9Very low149 Ų149151.1 Ų151.176%0.76479%0.788SS**  trans-68.8132.2174.3-61.3167.4000108.9
663V33.4Very low32.1Very low118 Ų118148.4 Ų148.472%0.71579%0.786SS**  trans-126.3114.7169.5179.10000107.9N665V663-N665 PolarHBondContact O-N 2.97Å
664E27.3Very low32.2Very low101 Ų101151.4 Ų151.447%0.47279%0.793SS.*  trans-78.2111.2174.6-58.7-163.6136.700110.1K576 V666K576-E664 WeakPolarHBondContact CE-OE1 3.42Å; K576-E664 WeakPolarHBondContact CE-OE2 3.25Å; K576-E664 WeakPolarHBondContact CG-OE1 3.46Å; K576-E664 IonicContact NZ-OE2 2.71Å; E664-V666 PolarHBondContact O-N 3.36Å
665N33.1Very low32Very low144 Ų144147 Ų14777%0.7779%0.785SS**  trans-82.3108168.8-86.7-19.3000109.9V663V663-N665 PolarHBondContact O-N 2.97Å
666V35.1Very low32.2Very low109 Ų109146.6 Ų146.666%0.66178%0.784SS**  trans-75.7151.4173.5177.80000110.3E664E664-V666 PolarHBondContact O-N 3.36Å
667Y33.1Very low32Very low226 Ų226151.5 Ų151.589%0.88679%0.794SS**  trans-63.6134.9176.6-134.9-104.4000110.9E669Y667-E669 PolarHBondContact O-N 2.93Å
668W33.3Very low32.3Very low232 Ų232152.4 Ų152.488%0.87980%0.796SS**  trans-90103.5177.3-70.484.7000110.7
669E32.7Very low32.2Very low190 Ų190149.2 Ų149.289%0.88879%0.788SS**  trans-81.1119.2151-69.6-175.2141.400107.4Y667Y667-E669 PolarHBondContact O-N 2.93Å
670G33Very low32.4Very low67 Ų67149.2 Ų149.269%0.69179%0.793SS**  trans-115.493.7-174.800000112
671D34Very low32.4Very low167 Ų167147.3 Ų147.389%0.89378%0.782SS**  trans-87.2104.8166.8-80.9-35.6000110.1E673D671-E673 PolarHBondContact O-N 3.44Å
672D34.4Very low32.5Very low164 Ų164150.3 Ų150.388%0.87779%0.788SS**  trans-79.990.9171.1-88.8-47.8000111
673E33.7Very low32.9Very low193 Ų193149.7 Ų149.790%0.90279%0.791SS**  trans-115.2132.5158.1-83-139.1125.300112.4D671D671-E673 PolarHBondContact O-N 3.44Å
674L36.5Very low32.7Very low168 Ų168154 Ų15488%0.8880%0.795SS**  trans-80138.6-168.2-127.575.8000113.3
675A29.9Very low33Very low86 Ų86156.8 Ų156.871%0.71181%0.813SS**  trans-37.6135.9176.800000116.8
676N32.5Very low32.9Very low161 Ų161159 Ų15986%0.86182%0.815SS**  trans-145103.1146.9-98.4-65.8000110.1
677E29.4Very low32.6Very low182 Ų182158.4 Ų158.485%0.8582%0.822SS**  trans-74.6124.6169.9-70.8-159.9132.900111
678V37.1Very low32.4Very low137 Ų137152.1 Ų152.183%0.8382%0.817SS**  trans-132.298.9151.9-177.40000108
679S29.1Very low32.2Very low95 Ų95147.5 Ų147.566%0.66481%0.814SS**  trans-79.1137179.424.70000111.8
680L33.3Very low32.1Very low172 Ų172143.5 Ų143.590%0.90181%0.807SS**  trans-146.6145.6157.2-113.8170.4000110.2
681T31.2Very low32.1Very low99 Ų99148.6 Ų148.661%0.60781%0.81SS**  trans-125.4144.6-152.266.90000114.1
682K32.7Very low31.9Very low196 Ų196148.2 Ų148.285%0.85281%0.808SS**  trans67.9162.4164.1-59160.3-179173.80112.5
683V35.5Very low31.8Very low136 Ų136143.6 Ų143.682%0.82480%0.8SS**  cis-133.9139.721.8177.20000112.8
684R29.7Very low31.9Very low209 Ų209143.2 Ų143.279%0.78980%0.795SS**  trans-53.9135.1168.1161.9-168.4-176.6139.9-11.4114.4
685N33.5Very low31.7Very low159 Ų159141.8 Ų141.885%0.8578%0.784SS**  trans-161.6164.7133.1-103-24.2000113.9
686K30.8Very low31.8Very low190 Ų190143.5 Ų143.583%0.82678%0.78SS**  trans-105.7161.1-170-61.8179.4174.8-175.40112.9
687A28.9Very low31.7Very low98 Ų98143.2 Ų143.281%0.8177%0.773SS**  trans121.9148.8131.700000117.2
688A29.4Very low31.9Very low93 Ų93137.9 Ų137.977%0.76976%0.76SS**  trans59.7126.5177.400000116.6
689V29.1Very low31.9Very low136 Ų136139.5 Ų139.582%0.82476%0.756SS**  cis95129.530.1175.30000113.8
690S29.9Very low31.9Very low105 Ų105142.5 Ų142.573%0.73477%0.765SS**  trans72.1155.4170.1-75.40000118.6
691K33.1Very low31.9Very low174 Ų174138.3 Ų138.376%0.75776%0.764SS**  cis-175.8148-39.8-122.2178.4-180-179.50108.9
692N30.7Very low32Very low159 Ų159144.9 Ų144.985%0.8578%0.777SS**  trans66.2156.9167.6-45.6-18.8000115.6
693G32Very low32.4Very low68 Ų68140 Ų14070%0.70177%0.765SS**  cis158.2150.2-16.100000114.6
694K35.7Very low32.4Very low184 Ų184139.9 Ų139.980%0.876%0.76SS**  trans75.3130.5168.7-71.7175164.8-79.40117
695E31.5Very low32.8Very low139 Ų139139 Ų13965%0.6576%0.762SS**  87118.364.6-147.6-167.5144.900110
696I32.2Very low32.8Very low121 Ų121140.6 Ų140.662%0.62177%0.765SS**  -177.9136.686.4-95.1-180000111.4
697Q31Very low33Very low155 Ų155134.8 Ų134.872%0.72476%0.759SS**  trans45.5162.9146.6-61.6176.75500123.4
698A33.6Very low33.4Very low71 Ų71140.1 Ų140.159%0.58776%0.764SS**  cis-179.1171.9-32.400000110.2
699K36.3Very low33.5Very low170 Ų170145.3 Ų145.374%0.73976%0.763SS**  trans74.3151.6162.1-58154.3-173.9165.50116.2
700N29.1Very low33.9Very low158 Ų158146.3 Ų146.385%0.84576%0.757SS**  cis-164150.1-16.4-100.6-8.8000108.6
701G33.8Very low34.1Very low85 Ų85147 Ų14788%0.87675%0.748SS**  trans177.8116.8171.500000117.2
702R34Very low34.3Very low236 Ų236146.7 Ų146.789%0.89175%0.749SS**  trans-127.1179.6176.9-114.1-166.3157.9-169.6-4.9107.7
703P41.2Very low34.4Very low93 Ų93148.7 Ų148.760%0.60475%0.745SS**  cis-141.9-170.3-36.442.5-24.5000114.6
704D34.4Very low34.7Very low135 Ų135152 Ų15272%0.72274%0.742SS**  trans51.7129.4145.3-62.5-46.1000124.7
705K38.4Very low34.6Very low189 Ų189146.3 Ų146.382%0.82274%0.735SS**  174.8123.6106.9-94.9169.7-175.2173.30118.1
706Q34.2Very low34.7Very low194 Ų194145.2 Ų145.291%0.90774%0.738SS**  trans21.6139.6138.3-59.2177-18.600124.5
707G35.3Very low34.5Very low68 Ų68146.1 Ų146.170%0.70175%0.75SS**  146.7122.6116.100000123.3
708K36.8Very low34.7Very low210 Ų210142.1 Ų142.191%0.91375%0.75SS**  trans72.8159.6148.5-60.3174.3-178.3173.30120.8
709R32.1Very low34.6Very low201 Ų201145.6 Ų145.676%0.75876%0.759SS**  cis-177.9160.9-30.5-176.4169.9173.6178.4-0.2111.4E711R709-E711 IonicContact CZ-OE1 3.74Å; R709-E711 IonicContact NE-OE1 3.44Å; R709-E711 PolarHBondContact NE-OE1 2.92Å; R709-E711 IonicContact NH2-OE1 3.12Å; R709-E711 PolarHBondContact NH2-OE1 2.84Å; R709-E711 VanDerWaalsContact NH2-OE1 3.12Å
710K37.2Very low34.4Very low158 Ų158145 Ų14569%0.68776%0.764SS**  trans104.2125.6166.2-71.7-168.1149.2-80.30115.3
711E34.4Very low34.5Very low119 Ų119141.3 Ų141.356%0.55676%0.755SS**  82.2135.457.3-66160.3-159.300110.7R709R709-E711 IonicContact CZ-OE1 3.74Å; R709-E711 IonicContact NE-OE1 3.44Å; R709-E711 PolarHBondContact NE-OE1 2.92Å; R709-E711 IonicContact NH2-OE1 3.12Å; R709-E711 PolarHBondContact NH2-OE1 2.84Å; R709-E711 VanDerWaalsContact NH2-OE1 3.12Å
712E35.6Very low34.5Very low168 Ų168144.2 Ų144.279%0.78575%0.749SS**  cis-144.6158.431.6-69.6-179.5133.600111.4
713R34.7Very low34.3Very low201 Ų201139.8 Ų139.876%0.75874%0.739SS**  cis92.3138.736.8-157.2-166.7166.8-165.6-12112.7
714E36.7Very low34Very low137 Ų137142 Ų14264%0.6474%0.739SS**  cis-116.3-164.47.9-72.1-76.654.400111.8
715G34.1Very low33.8Very low64 Ų64141.9 Ų141.966%0.6673%0.734SS**  cis116.2151.9-6.500000116.5
716T32.8Very low33.6Very low116 Ų116139 Ų13971%0.71272%0.721SS**  cis-168.9121.3-11.4-54.70000114.1
717T30Very low33.6Very low141 Ų141137.8 Ų137.887%0.86571%0.713SS**  trans62.8159.6155.559.70000125.3
718G34.4Very low33.6Very low70 Ų70142.4 Ų142.472%0.72271%0.714SS**  trans-176.7135.7160.600000114.1
719N32.3Very low33.4Very low144 Ų144139 Ų13977%0.7771%0.706SS**  trans-131.2169.8-168.2-74.1-21.6000114.8
720N31Very low33.4Very low159 Ų159132.7 Ų132.785%0.8570%0.703SS**  trans76.5154.4156.6-62.1-26.3000119
721A31.7Very low33.6Very low80 Ų80131.7 Ų131.766%0.66171%0.712SS**  cis-174.8-165.9-2300000110
722I32.9Very low33.5Very low145 Ų145130 Ų13074%0.74472%0.719SS**  trans90.4108.5148.8-72.9164.4000120
723E30.6Very low33.3Very low144 Ų144129.3 Ų129.367%0.67372%0.721SS**  trans69161.1137.8-68.1-169.9142.400121.2
724K34.1Very low33.4Very low139 Ų139122.5 Ų122.560%0.60471%0.707SS**  cis-158.11410.7-128.8161.3-175.6141.30111.9
725E31.3Very low33.4Very low133 Ų133125.3 Ų125.362%0.62172%0.717SS**  trans60.1168.7140.8-76-176143.200120.7
726K34.3Very low33.4Very low129 Ų129125.8 Ų125.856%0.56172%0.722SS**  cis-161.5141.9-3.7-122160.5-179.1141.10109.9
727K33.1Very low33.7Very low167 Ų167129 Ų12973%0.72673%0.726SS**  trans64.8159.8145.7-66.5170.4-179.3179.80118
728K36Very low34.2Very low166 Ų166131.5 Ų131.572%0.72273%0.725SS**  cis-164.7160.6-15.4-119.4-175.6170.3-160.30112
729N32.4Very low34.2Very low139 Ų139133.5 Ų133.574%0.74373%0.728SS**  trans69.5138.3151.3-60.7-0.3000120.8
730G31.7Very low34.6Very low68 Ų68131.8 Ų131.870%0.70173%0.725SS**  trans-91.2-161.9158.200000112.5
731P40.7Very low34.7Very low136 Ų136133.8 Ų133.888%0.88373%0.726SS**  -150.7-166.277.643.7-25.5000116.9
732A32.5Very low34.8Very low85 Ų85135 Ų13570%0.70274%0.736SS**  trans-43.2-177.1172.900000118.4
733D32.6Very low34.8Very low153 Ų153132.5 Ų132.582%0.81874%0.737SS**  cis-166.817424.4-150.7-24000114.7
734A35.9Very low35.2Very low57 Ų57130.8 Ų130.847%0.47174%0.738SS.*  trans91108.113800000124.4
735K36.4Very low35.2Very low197 Ų197131.5 Ų131.586%0.85775%0.749SS**  trans68.9133.7134-56.4158.6-167.4161.60118.1
736G33.9Very low35.3Very low74 Ų74132.7 Ų132.776%0.76376%0.758SS**  cis175.2-149.33.800000108.5
737K40.8Very low35.6Very low183 Ų183132.7 Ų132.780%0.79677%0.771SS**  cis-163.7136.31.4-55167.1-176.31630110.1
738K38.5Very low35.4Very low194 Ų194131.5 Ų131.584%0.84377%0.773SS**  trans68.6140.6165.1-56.3176.9177.8-176.50118.1
739S34.7Very low35.5Very low112 Ų112132.7 Ų132.778%0.78378%0.778SS**  cis89.6152.19.4-48.30000117.2
740P40.9Very low35.6Very low108 Ų108132.1 Ų132.170%0.70178%0.775SS**  cis-150.7-167.4-30.442-22.2000116.6
741K33.9Very low35.8Very low201 Ų201138.1 Ų138.187%0.87478%0.781SS**  trans69.3127149-75.1176.4-179-1770121.2
742A34.4Very low35.4Very low105 Ų105136 Ų13687%0.86877%0.77SS**  -171.6141.9107.500000113.8
743A32.1Very low35.5Very low93 Ų93140.7 Ų140.777%0.76978%0.778SS**  trans-141.9161.7156.900000105.8
744P39.4Very low35.4Very low107 Ų107138.2 Ų138.270%0.69578%0.778SS**  -163.3-172.580.844.6-23.5000118
745N34.7Very low35.4Very low155 Ų155145 Ų14583%0.82980%0.8SS**  trans86.5136.8144.6-71.2-13.3000123.2
746I32.9Very low35.1Very low157 Ų157144.5 Ų144.581%0.80580%0.798SS**  trans-99.6158.8170.2-42.6162.9000107.9
747P39.6Very low35.1Very low130 Ų130146.9 Ų146.984%0.84480%0.8SS**  -143.8169.1120.137-22.6000115.2
748N30.4Very low34.6Very low142 Ų142147.7 Ų147.776%0.75980%0.803SS**  trans-120144.4-169.8-178.91.1000112
749K37.4Very low34.5Very low190 Ų190150 Ų15083%0.82681%0.807SS**  trans-176.5159.4169-100.9168.1179.7-179.50109.7
750N34.7Very low34.4Very low128 Ų128154.4 Ų154.468%0.68481%0.812SS**  cis166.8137.8-39-109-40000108.7
751K36.5Very low34Very low193 Ų193152.8 Ų152.884%0.83982%0.815SS**  trans67158.3156.3-76-174.5176.7-175.30117.9
752S32.2Very low34.1Very low92 Ų92147.7 Ų147.764%0.64381%0.81SS**  cis-165.6-167.8-9.942.40000111.1
753E33.2Very low34.2Very low184 Ų184149.1 Ų149.186%0.8681%0.808SS**  trans80.4115.7168.7-52.2-179.2150.800114.7
754A31.7Very low34.2Very low101 Ų101151.8 Ų151.884%0.83581%0.81SS**  cis91.7102.75.300000118.7
755E34.3Very low34Very low198 Ų198156.4 Ų156.493%0.92582%0.819SS**  trans-148166.2156.2-129.4-175.117200113.9
756K30.1Very low33.8Very low188 Ų188153.1 Ų153.182%0.81781%0.813SS**  trans-157.7148.8-174.1-107.9170.9-178.9163.80107
757P34.9Very low33.9Very low124 Ų124153.4 Ų153.481%0.80582%0.816SS**  -162155.887.140.1-18.8000120.9
758K30.1Very low33.4Very low199 Ų199156.9 Ų156.987%0.86582%0.817SS**  trans-20.4141.6154.3-51.9167.8-179.51760120
759R36Very low33.7Very low244 Ų244154.6 Ų154.692%0.92182%0.818SS**  trans-172.1160.3140.3-99.6170.4-174.5-163.31.4109.1
760K33.2Very low33.5Very low203 Ų203151.1 Ų151.188%0.88382%0.817SS**  cis179.8135.8-45-115.8-168.9177.7-170.40108.5
761G32.3Very low33.5Very low74 Ų74156 Ų15676%0.76383%0.826SS**  trans108.9136.6172.500000113.8
762A35.6Very low33.4Very low94 Ų94156.3 Ų156.378%0.77783%0.828SS**  cis98.6137.446.800000111.4
763T36.2Very low33.4Very low135 Ų135158.9 Ų158.983%0.82883%0.834SS**  cis-162.61640.28.40000112.8
764N32.4Very low33.5Very low150 Ų150155.9 Ų155.980%0.80283%0.833SS**  trans-47.1143.4-179.9-46.4-27.6000119.2
765K35.2Very low33.5Very low204 Ų204159.7 Ų159.789%0.88783%0.833SS**  trans166.5142.1131.7-90.5160.4-178.1-179.90109.3
766A30.9Very low33.6Very low85 Ų85157.3 Ų157.370%0.70283%0.832SS**  cis105.1145.519.200000114.9
767L35.5Very low33.9Very low164 Ų164151.4 Ų151.486%0.85982%0.824SS**  trans81.3136.3-175.8-51.4168.3000114.5
768K28.6Very low33.7Very low203 Ų203150.4 Ų150.488%0.88383%0.826SS**  cis96.895.625.7-80.6-165.9171.3-178.20116.4
769A35.7Very low34Very low93 Ų93146.6 Ų146.677%0.76983%0.825SS**  trans-156.2136.9143.700000106.4
770S34.9Very low34Very low117 Ų117142.5 Ų142.582%0.81882%0.821SS**  cis73.5140.537.1-61.30000115.5
771R33.1Very low34.4Very low231 Ų231138.5 Ų138.587%0.87282%0.819SS**  cis167.3113.5-21.7170.8-174-160.4-169.17.4106.9
772K35.2Very low34.6Very low200 Ų200141.8 Ų141.887%0.8782%0.819SS**  trans162.6147160.7-93.1156.8-178.9-171.40108.6
773L31.4Very low34.8Very low146 Ų146145.8 Ų145.876%0.76482%0.821SS**  cis115.9109.38.2179.177.4000112.2
774S35.3Very low34.8Very low121 Ų121148.2 Ų148.285%0.84682%0.823SS**  trans-165.9134.6153.551.30000110.2
775Q31.7Very low35Very low181 Ų181146.8 Ų146.885%0.84682%0.82SS**  trans-113.1144-178.8-65.1166.4-90.500112.2
776V38Very low35.1Very low148 Ų148146.2 Ų146.290%0.89782%0.82SS**  trans-149.7144.8154.1-178.30000104.9
777G34.7Very low35.4Very low63 Ų63150.4 Ų150.465%0.64983%0.825SS**  cis134.767.43.200000110.1
778A31.9Very low35Very low103 Ų103145.7 Ų145.785%0.85182%0.816SS**  86.1106.377.700000113.4
779S37Very low35.2Very low119 Ų119142.1 Ų142.183%0.83281%0.811SS**  trans-170124.716155.80000110.1
780D35.2Very low35Very low159 Ų159145.6 Ų145.685%0.8582%0.816SS**  trans-88.9157-175.4-43.7-84.7000113.7
781S40.8Very low34.8Very low119 Ų119147.1 Ų147.183%0.83282%0.815SS**  trans-163.8120142.361.50000110
782D37.1Very low34.8Very low143 Ų143141.1 Ų141.177%0.76582%0.815SS**  trans-73.1157.1-178.5-45.5-98.8000113.3
783E39.8Very low34.6Very low177 Ų177136.8 Ų136.883%0.82781%0.81SS**  167.7157.1116.5-88.9-75.463.500113.5
784E37Very low35.2Very low186 Ų186136.5 Ų136.587%0.86981%0.805SS**  trans65.6129.8169.3-60.2-158.913500120.4
785V36.4Very low35.9Very low121 Ų121135.6 Ų135.673%0.73379%0.786SS**  trans-108.2138.4-173.2170.40000110.4
786H37.9Very low37Very low191 Ų191133.4 Ų133.488%0.88479%0.785SS**  trans-139.8124.7154.7-121.2-76.5000112.1
787H36.3Very low38.3Very low173 Ų173129 Ų12980%0.80175%0.753SS**  trans-63149.8165.7-58-84.6000109.4
788G27Very low39.8Very low65 Ų65132.2 Ų132.267%0.6776%0.755SS**  cis128.395.41100000108.9
789V33.7Very low41.7Very low129 Ų129131.5 Ų131.578%0.78273%0.732SS**  trans-133.9106.7-179.1179.40000107.7N791V789-N791 PolarHBondContact O-N 3.5Å
790D30.4Very low43.4Very low165 Ų165133.9 Ų133.988%0.88273%0.73SS**  trans-78.799-177.5-62.7-60.6000110.8A792D790-A792 PolarHBondContact O-N 2.78Å
791N31.3Very low45.5Very low149 Ų149130.1 Ų130.180%0.79771%0.707SS**PPolyproline II helixtrans-71.8122.8165-77.9-17.6000109.1V789 S793V789-N791 PolarHBondContact O-N 3.5Å; N791-S793 PolarHBondContact O-N 3.08Å
792A32.9Very low47Very low105 Ų105124.6 Ų124.687%0.86867%0.667SS**PPolyproline II helixtrans-59.2131.6178.400000110.9D790 E794D790-A792 PolarHBondContact O-N 2.78Å; A792-E794 PolarHBondContact O-N 3.16Å
793S31.3Very low48.7Very low110 Ų110119.6 Ų119.677%0.76964%0.641SS**PPolyproline II helixtrans-79.8116.2-173.4440000112.1N791 K795N791-S793 PolarHBondContact O-N 3.08Å; S793-K795 PolarHBondContact O-N 3.1Å
794E42.7Very low50.5Low139 Ų139118.6 Ų118.665%0.6563%0.634SS**PPolyproline II helixtrans-59.9120.4157.4-79.9-169.4112.500108.7A792 T796 S939A792-E794 PolarHBondContact O-N 3.16Å; E794-T796 PolarHBondContact O-N 3.32Å; E794-S939 WeakPolarHBondContact OE1-CB 3.12Å; E794-S939 PolarHBondContact OE1-OG 3.42Å
795K51Low52.3Low103 Ų103111.7 Ų111.745%0.44860%0.602SS.*  trans-71.491.1172.9-69.9175.8-179.6171.90108.7S793 Y797 E824S793-K795 PolarHBondContact O-N 3.1Å; K795-Y797 HydrophobicContact CB-CE2 4.29Å; K795-Y797 VanDerWaalsContact O-CD2 3.23Å; K795-Y797 WeakPolarHBondContact O-CD2 3.12Å; K795-Y797 WeakPolarHBondContact O-CE2 3.4Å; K795-Y797 PolarHBondContact O-N 3.01Å; K795-E824 IonicContact NZ-OE1 3.19Å; K795-E824 PolarHBondContact NZ-OE1 3.31Å; K795-E824 IonicContact NZ-OE2 2.7Å; K795-E824 PolarHBondContact NZ-OE2 3.37Å
796T55.4Low54.1Low134 Ų134106.1 Ų106.182%0.82257%0.568SS**  trans-67.2115.4176.243.90000110.7E794E794-T796 PolarHBondContact O-N 3.32Å
797Y64.5Low55.7Low57 Ų57104 Ų10422%0.22456%0.556CS.*  trans-97.7125.9-179.4-63.3-72.9000111.7K795 F801 M802 L816K795-Y797 HydrophobicContact CB-CE2 4.29Å; K795-Y797 VanDerWaalsContact O-CD2 3.23Å; K795-Y797 WeakPolarHBondContact O-CD2 3.12Å; K795-Y797 WeakPolarHBondContact O-CE2 3.4Å; K795-Y797 PolarHBondContact O-N 3.01Å; Y797-F801 AromaticContact CD1-CD1 3.82Å; Y797-F801 HydrophobicContact CD1-CD1 3.82Å; Y797-F801 AromaticContact CD1-CE1 3.6Å; Y797-F801 HydrophobicContact CD1-CE1 3.6Å; Y797-F801 HydrophobicContact CE1-CE1 4.01Å; Y797-F801 HydrophobicContact CG-CD1 4.37Å; Y797-F801 HydrophobicContact CG-CE1 4.44Å; Y797-M802 WeakPolarHBondContact CB-SD 3.49Å; Y797-M802 HydrophobicContact CD2-CE 4.3Å; Y797-M802 HydrophobicContact CD2-SD 4.08Å; Y797-M802 HydrophobicContact CG-SD 3.82Å; Y797-L816 HydrophobicContact CE1-CD1 4.44Å
798D67.4Low57.1Low129 Ų12999.4 Ų99.469%0.6955%0.548SS*.  trans-57.8142.3177.2-82.2-44.2000113.1E800 F801 M802D798-E800 PolarHBondContact O-N 2.93Å; D798-E800 VanDerWaalsContact O-N 3.13Å; D798-F801 HydrophobicContact CB-CB 4.25Å; D798-F801 WeakPolarHBondContact O-CA 3.48Å; D798-F801 WeakPolarHBondContact O-CB 3.43Å; D798-F801 PolarHBondContact O-N 3.09Å; D798-M802 WeakPolarHBondContact O-CG 3.3Å; D798-M802 PolarHBondContact O-N 3.48Å
799K70.4Confident59.1Low89 Ų8999.3 Ų99.339%0.38753%0.532SS..Hα-helixtrans-55-33.9177.9-169.5174.1-167.4162.20113.1N803 V927 S928 V930K799-N803 VanDerWaalsContact O-CB 3.3Å; K799-N803 WeakPolarHBondContact O-CB 3.36Å; K799-N803 PolarHBondContact O-N 3.04Å; K799-N803 PolarHBondContact O-ND2 2.96Å; K799-V927 VanDerWaalsContact CE-O 3.26Å; K799-V927 WeakPolarHBondContact CE-O 3.42Å; K799-S928 WeakPolarHBondContact CE-O 3.47Å; K799-S928 PolarHBondContact NZ-O 2.75Å; K799-V930 HydrophobicContact CB-CG1 4.27Å; K799-V930 HydrophobicContact CD-CB 4.49Å; K799-V930 WeakPolarHBondContact CD-O 3.33Å; K799-V930 VanDerWaalsContact CE-O 3.22Å; K799-V930 WeakPolarHBondContact CE-O 3.2Å; K799-V930 HydrophobicContact CG-CB 4.37Å; K799-V930 HydrophobicContact CG-CG1 4.43Å; K799-V930 PolarHBondContact NZ-O 3.49Å
800E73.8Confident60.9Low168 Ų16895 Ų9579%0.78551%0.507SS*.Hα-helixtrans-70.4-41.6174.1-65.8-161.4168.300112.7D798 N803 K804D798-E800 PolarHBondContact O-N 2.93Å; D798-E800 VanDerWaalsContact O-N 3.13Å; E800-N803 PolarHBondContact O-N 3.49Å; E800-K804 VanDerWaalsContact O-CB 3.25Å; E800-K804 WeakPolarHBondContact O-CB 3.48Å; E800-K804 PolarHBondContact O-N 3.33Å
801F78Confident62.8Low81 Ų8188.6 Ų88.636%0.35547%0.472SS..Hα-helixtrans-63.7-47.2176.3178.4-95.3000110.6Y797 D798 N803 K804 Q805 L816Y797-F801 AromaticContact CD1-CD1 3.82Å; Y797-F801 HydrophobicContact CD1-CD1 3.82Å; Y797-F801 AromaticContact CD1-CE1 3.6Å; Y797-F801 HydrophobicContact CD1-CE1 3.6Å; Y797-F801 HydrophobicContact CE1-CE1 4.01Å; Y797-F801 HydrophobicContact CG-CD1 4.37Å; Y797-F801 HydrophobicContact CG-CE1 4.44Å; D798-F801 HydrophobicContact CB-CB 4.25Å; D798-F801 WeakPolarHBondContact O-CA 3.48Å; D798-F801 WeakPolarHBondContact O-CB 3.43Å; D798-F801 PolarHBondContact O-N 3.09Å; F801-N803 PolarHBondContact O-N 2.91Å; F801-K804 WeakPolarHBondContact O-CB 3.32Å; F801-K804 PolarHBondContact O-N 2.95Å; F801-K804 VanDerWaalsContact O-N 3.09Å; F801-Q805 HydrophobicContact CD1-CG 4.17Å; F801-Q805 HydrophobicContact CE1-CG 3.86Å; F801-Q805 HydrophobicContact CE2-CG 4.35Å; F801-Q805 VanDerWaalsContact CE2-NE2 3.33Å; F801-Q805 HydrophobicContact CZ-CG 3.96Å; F801-Q805 VanDerWaalsContact CZ-NE2 3.26Å; F801-Q805 WeakPolarHBondContact O-CG 3.33Å; F801-Q805 PolarHBondContact O-N 3.11Å; F801-L816 HydrophobicContact CE1-CD2 4.01Å
802M72.4Confident64.7Low2 Ų284.1 Ų84.11%0.0144%0.443CS..Hα-helixtrans-60.5-46.7177.4-63.3-60.5-94.900111.5Y797 D798 K804 Q805 L806 F813 I817 V927 V940 W943Y797-M802 WeakPolarHBondContact CB-SD 3.49Å; Y797-M802 HydrophobicContact CD2-CE 4.3Å; Y797-M802 HydrophobicContact CD2-SD 4.08Å; Y797-M802 HydrophobicContact CG-SD 3.82Å; D798-M802 WeakPolarHBondContact O-CG 3.3Å; D798-M802 PolarHBondContact O-N 3.48Å; M802-K804 VanDerWaalsContact C-N 3.29Å; M802-K804 PolarHBondContact O-N 3.28Å; M802-Q805 PolarHBondContact O-N 3.41Å; M802-L806 WeakPolarHBondContact O-CB 3.36Å; M802-L806 PolarHBondContact O-N 3.03Å; M802-F813 HydrophobicContact CB-CE2 3.97Å; M802-F813 HydrophobicContact CB-CZ 4.24Å; M802-F813 HydrophobicContact CE-CE2 3.7Å; M802-F813 HydrophobicContact CE-CZ 3.77Å; M802-F813 HydrophobicContact CG-CE2 4.45Å; M802-F813 WeakPolarHBondContact O-CE2 3.42Å; M802-F813 HydrophobicContact SD-CE2 3.7Å; M802-F813 HydrophobicContact SD-CZ 4.31Å; M802-I817 HydrophobicContact CE-CD1 4.12Å; M802-I817 HydrophobicContact CE-CG1 4.12Å; M802-V927 HydrophobicContact CB-CG1 4.14Å; M802-V927 HydrophobicContact CB-CG2 4.28Å; M802-V940 HydrophobicContact CE-CG1 3.49Å; M802-V940 VanDerWaalsContact CE-CG1 3.49Å; M802-V940 HydrophobicContact CE-CG2 4.5Å; M802-W943 HydrophobicContact CE-CZ3 4.42Å
803N73.2Confident66.7Low39 Ų3979.1 Ų79.121%0.20940%0.402CS..Hα-helixtrans-54.6-43.4171.7-100.4-89.8000112.7K799 E800 F801 K807 V927K799-N803 VanDerWaalsContact O-CB 3.3Å; K799-N803 WeakPolarHBondContact O-CB 3.36Å; K799-N803 PolarHBondContact O-N 3.04Å; K799-N803 PolarHBondContact O-ND2 2.96Å; E800-N803 PolarHBondContact O-N 3.49Å; F801-N803 PolarHBondContact O-N 2.91Å; N803-K807 VanDerWaalsContact O-CB 3.26Å; N803-K807 WeakPolarHBondContact O-CB 3.4Å; N803-K807 WeakPolarHBondContact O-CD 3.46Å; N803-K807 VanDerWaalsContact O-CG 3.22Å; N803-K807 WeakPolarHBondContact O-CG 3.16Å; N803-K807 PolarHBondContact O-N 3.46Å; N803-K807 PolarHBondContact OD1-NZ 2.79Å; N803-V927 HydrophobicContact CB-CG1 4.49Å; N803-V927 VanDerWaalsContact ND2-CG1 3.3Å; N803-V927 WeakPolarHBondContact ND2-CG1 3.5Å
804K77.5Confident68.8Low156 Ų15674 Ų7468%0.67837%0.366SS*.Hα-helixtrans-69.9-38.7-176.4-173176.6-178.8179.40112.2E800 F801 M802 A808E800-K804 VanDerWaalsContact O-CB 3.25Å; E800-K804 WeakPolarHBondContact O-CB 3.48Å; E800-K804 PolarHBondContact O-N 3.33Å; F801-K804 WeakPolarHBondContact O-CB 3.32Å; F801-K804 PolarHBondContact O-N 2.95Å; F801-K804 VanDerWaalsContact O-N 3.09Å; M802-K804 VanDerWaalsContact C-N 3.29Å; M802-K804 PolarHBondContact O-N 3.28Å; K804-A808 WeakPolarHBondContact O-CB 3.41Å; K804-A808 PolarHBondContact O-N 3.17Å; K804-A808 VanDerWaalsContact O-N 3.15Å
805Q74.4Confident70.3Confident41 Ų4168.9 Ų68.919%0.19234%0.342CS..Hα-helixtrans-69.4-46.7174.9-63.7-64.7-7.600111.4F801 M802 K807 A808 N809 F813 L816F801-Q805 HydrophobicContact CD1-CG 4.17Å; F801-Q805 HydrophobicContact CE1-CG 3.86Å; F801-Q805 HydrophobicContact CE2-CG 4.35Å; F801-Q805 VanDerWaalsContact CE2-NE2 3.33Å; F801-Q805 HydrophobicContact CZ-CG 3.96Å; F801-Q805 VanDerWaalsContact CZ-NE2 3.26Å; F801-Q805 WeakPolarHBondContact O-CG 3.33Å; F801-Q805 PolarHBondContact O-N 3.11Å; M802-Q805 PolarHBondContact O-N 3.41Å; Q805-K807 VanDerWaalsContact C-N 3.32Å; Q805-K807 PolarHBondContact O-N 2.88Å; Q805-A808 WeakPolarHBondContact O-CB 3.47Å; Q805-A808 PolarHBondContact O-N 3.15Å; Q805-N809 PolarHBondContact O-N 2.93Å; Q805-N809 VanDerWaalsContact O-N 3.09Å; Q805-F813 HydrophobicContact CB-CD2 3.69Å; Q805-F813 HydrophobicContact CB-CE2 4.39Å; Q805-L816 HydrophobicContact CB-CD2 4.36Å; Q805-L816 HydrophobicContact CG-CD2 4.01Å
806L73.8Confident71.4Confident4 Ų464.2 Ų64.22%0.02132%0.323CS..Hα-helixtrans-60.2-39.7177.5177.656.5000112.6M802 A808 C810 F813 L923 E924 V927M802-L806 WeakPolarHBondContact O-CB 3.36Å; M802-L806 PolarHBondContact O-N 3.03Å; L806-A808 VanDerWaalsContact C-N 3.33Å; L806-C810 HydrophobicContact CD1-CB 4.2Å; L806-C810 PolarHBondContact O-SG 3.18Å; L806-F813 HydrophobicContact CB-CB 4.37Å; L806-F813 HydrophobicContact CB-CD1 3.88Å; L806-F813 HydrophobicContact CB-CD2 4.05Å; L806-F813 HydrophobicContact CB-CE1 4.1Å; L806-F813 HydrophobicContact CB-CE2 4.26Å; L806-F813 HydrophobicContact CB-CG 3.83Å; L806-F813 HydrophobicContact CB-CZ 4.28Å; L806-F813 HydrophobicContact CD1-CB 4.42Å; L806-F813 HydrophobicContact CD1-CD1 3.65Å; L806-F813 HydrophobicContact CD1-CE1 4.17Å; L806-F813 HydrophobicContact CD1-CG 4.19Å; L806-F813 HydrophobicContact CD2-CD1 4.45Å; L806-F813 HydrophobicContact CD2-CE1 4.17Å; L806-F813 HydrophobicContact CG-CD1 4.19Å; L806-F813 HydrophobicContact CG-CE1 4.38Å; L806-L923 HydrophobicContact CD1-CB 3.93Å; L806-L923 HydrophobicContact CD2-CB 4.19Å; L806-L923 WeakPolarHBondContact CD2-O 3.06Å; L806-E924 HydrophobicContact CD2-CB 4.28Å; L806-E924 HydrophobicContact CD2-CG 3.61Å; L806-E924 HydrophobicContact CG-CG 4.14Å; L806-V927 HydrophobicContact CD2-CB 4.16Å; L806-V927 HydrophobicContact CD2-CG2 3.93Å
807K71.4Confident72.3Confident145 Ų14558.2 Ų58.263%0.6329%0.285SS*.Hα-helixtrans-72.6-21.1174.6-74167.6179.71590113.9N803 Q805N803-K807 VanDerWaalsContact O-CB 3.26Å; N803-K807 WeakPolarHBondContact O-CB 3.4Å; N803-K807 WeakPolarHBondContact O-CD 3.46Å; N803-K807 VanDerWaalsContact O-CG 3.22Å; N803-K807 WeakPolarHBondContact O-CG 3.16Å; N803-K807 PolarHBondContact O-N 3.46Å; N803-K807 PolarHBondContact OD1-NZ 2.79Å; Q805-K807 VanDerWaalsContact C-N 3.32Å; Q805-K807 PolarHBondContact O-N 2.88Å
808A67.5Low72.7Confident77 Ų7757.8 Ų57.864%0.63628%0.284SS*.Hα-helixtrans-80.7-51.6177.300000111.8K804 Q805 L806K804-A808 WeakPolarHBondContact O-CB 3.41Å; K804-A808 PolarHBondContact O-N 3.17Å; K804-A808 VanDerWaalsContact O-N 3.15Å; Q805-A808 WeakPolarHBondContact O-CB 3.47Å; Q805-A808 PolarHBondContact O-N 3.15Å; L806-A808 VanDerWaalsContact C-N 3.33Å
809N68.4Low72.9Confident63 Ų6355.4 Ų55.434%0.33727%0.267SS..  trans-162.3118.1176.5175.5-18.9000110Q805 F811 R812 F813Q805-N809 PolarHBondContact O-N 2.93Å; Q805-N809 VanDerWaalsContact O-N 3.09Å; N809-F811 PolarHBondContact O-N 3.1Å; N809-F811 WeakPolarHBondContact OD1-CB 3.42Å; N809-F811 PolarHBondContact OD1-N 3.29Å; N809-R812 HydrophobicContact CB-CB 3.73Å; N809-R812 PolarHBondContact O-N 3.21Å; N809-R812 PolarHBondContact OD1-N 3.02Å; N809-R812 VanDerWaalsContact OD1-N 3.12Å; N809-F813 PolarHBondContact O-N 3.13Å
810C70.7Confident72.9Confident38 Ų3853 Ų5326%0.25726%0.26SS..Hα-helixtrans-66.4-32.5-176.4-48.80000113.5L806 F813 F814L806-C810 HydrophobicContact CD1-CB 4.2Å; L806-C810 PolarHBondContact O-SG 3.18Å; C810-F813 PolarHBondContact O-N 3Å; C810-F814 WeakPolarHBondContact O-CB 3.4Å; C810-F814 PolarHBondContact O-N 3.46Å
811F70.1Confident72.7Confident32 Ų3250.8 Ų50.814%0.1425%0.254CS..Hα-helixtrans-68.4-43.6172.5179-92.6000110.6N809 F813 F814 M815 L949N809-F811 PolarHBondContact O-N 3.1Å; N809-F811 WeakPolarHBondContact OD1-CB 3.42Å; N809-F811 PolarHBondContact OD1-N 3.29Å; F811-F813 VanDerWaalsContact C-N 3.28Å; F811-F813 PolarHBondContact O-N 2.96Å; F811-F814 PolarHBondContact O-N 3Å; F811-M815 HydrophobicContact CD1-CG 4.06Å; F811-M815 HydrophobicContact CE1-CG 3.66Å; F811-M815 HydrophobicContact CE1-SD 4.38Å; F811-M815 HydrophobicContact CE2-CG 4.46Å; F811-M815 HydrophobicContact CZ-CG 3.88Å; F811-M815 HydrophobicContact CZ-SD 4.03Å; F811-M815 WeakPolarHBondContact O-CG 3.09Å; F811-M815 PolarHBondContact O-N 3.06Å; F811-L949 HydrophobicContact CD2-CB 4.41Å; F811-L949 HydrophobicContact CD2-CD1 3.93Å; F811-L949 HydrophobicContact CE2-CB 4.23Å
812R71.2Confident72.1Confident54 Ų5450.3 Ų50.320%0.20426%0.257CS..Hα-helixtrans-59.8-40.1174.5-168.1172.1169.5111.521.1110.8N809 L816 F823 I828N809-R812 HydrophobicContact CB-CB 3.73Å; N809-R812 PolarHBondContact O-N 3.21Å; N809-R812 PolarHBondContact OD1-N 3.02Å; N809-R812 VanDerWaalsContact OD1-N 3.12Å; R812-L816 PolarHBondContact O-N 3.17Å; R812-F823 HydrophobicContact CG-CE2 3.37Å; R812-F823 HydrophobicContact CG-CZ 3.75Å; R812-F823 VanDerWaalsContact NE-CZ 3.28Å; R812-F823 WeakPolarHBondContact O-CE2 3.11Å; R812-I828 PolarHBondContact NH1-O 3.31Å
813F75.6Confident71.8Confident0 Ų051.2 Ų51.20%026%0.261CS..Hα-helixtrans-66.4-42.4174.7-175.9-110.3000113.6M802 Q805 L806 N809 C810 F811 L816 I817 L923 V927M802-F813 HydrophobicContact CB-CE2 3.97Å; M802-F813 HydrophobicContact CB-CZ 4.24Å; M802-F813 HydrophobicContact CE-CE2 3.7Å; M802-F813 HydrophobicContact CE-CZ 3.77Å; M802-F813 HydrophobicContact CG-CE2 4.45Å; M802-F813 WeakPolarHBondContact O-CE2 3.42Å; M802-F813 HydrophobicContact SD-CE2 3.7Å; M802-F813 HydrophobicContact SD-CZ 4.31Å; Q805-F813 HydrophobicContact CB-CD2 3.69Å; Q805-F813 HydrophobicContact CB-CE2 4.39Å; L806-F813 HydrophobicContact CB-CB 4.37Å; L806-F813 HydrophobicContact CB-CD1 3.88Å; L806-F813 HydrophobicContact CB-CD2 4.05Å; L806-F813 HydrophobicContact CB-CE1 4.1Å; L806-F813 HydrophobicContact CB-CE2 4.26Å; L806-F813 HydrophobicContact CB-CG 3.83Å; L806-F813 HydrophobicContact CB-CZ 4.28Å; L806-F813 HydrophobicContact CD1-CB 4.42Å; L806-F813 HydrophobicContact CD1-CD1 3.65Å; L806-F813 HydrophobicContact CD1-CE1 4.17Å; L806-F813 HydrophobicContact CD1-CG 4.19Å; L806-F813 HydrophobicContact CD2-CD1 4.45Å; L806-F813 HydrophobicContact CD2-CE1 4.17Å; L806-F813 HydrophobicContact CG-CD1 4.19Å; L806-F813 HydrophobicContact CG-CE1 4.38Å; N809-F813 PolarHBondContact O-N 3.13Å; C810-F813 PolarHBondContact O-N 3Å; F811-F813 VanDerWaalsContact C-N 3.28Å; F811-F813 PolarHBondContact O-N 2.96Å; F813-L816 WeakPolarHBondContact O-CB 3.26Å; F813-L816 PolarHBondContact O-N 3.39Å; F813-I817 HydrophobicContact CD1-CD1 4.1Å; F813-I817 HydrophobicContact CE1-CD1 3.5Å; F813-I817 HydrophobicContact CE2-CD1 4.24Å; F813-I817 HydrophobicContact CZ-CD1 3.59Å; F813-I817 HydrophobicContact CZ-CG1 4.39Å; F813-I817 PolarHBondContact O-N 3.48Å; F813-I817 VanDerWaalsContact O-N 3.11Å; F813-L923 HydrophobicContact CD1-CD1 4.38Å; F813-L923 HydrophobicContact CD1-CD2 4.49Å; F813-L923 HydrophobicContact CE1-CB 4.37Å; F813-L923 HydrophobicContact CE1-CD2 4.25Å; F813-V927 HydrophobicContact CE1-CG2 3.77Å; F813-V927 HydrophobicContact CE2-CG2 4.43Å; F813-V927 HydrophobicContact CZ-CG2 3.37Å
814F75.9Confident71.4Confident2 Ų255.2 Ų55.21%0.00928%0.278CS..Hα-helixtrans-61.1-44.1174.8-175.3-81.8000111.7C810 F811 L816 I817 K818 L919 V944 I947 L949C810-F814 WeakPolarHBondContact O-CB 3.4Å; C810-F814 PolarHBondContact O-N 3.46Å; F811-F814 PolarHBondContact O-N 3Å; F814-L816 PolarHBondContact O-N 2.99Å; F814-I817 PolarHBondContact O-N 3.48Å; F814-K818 HydrophobicContact CE1-CB 4.43Å; F814-K818 HydrophobicContact CE1-CD 3.95Å; F814-K818 HydrophobicContact CZ-CD 4.22Å; F814-K818 PolarHBondContact O-N 3.41Å; F814-L919 HydrophobicContact CD2-CD2 4.19Å; F814-L919 HydrophobicContact CE2-CD2 4.23Å; F814-V944 HydrophobicContact CD2-CG1 4.04Å; F814-V944 HydrophobicContact CD2-CG2 4.36Å; F814-V944 HydrophobicContact CE1-CG1 4.21Å; F814-V944 HydrophobicContact CE2-CG1 3.41Å; F814-V944 VanDerWaalsContact CE2-CG1 3.41Å; F814-V944 HydrophobicContact CE2-CG2 4.38Å; F814-V944 HydrophobicContact CZ-CG1 3.51Å; F814-I947 HydrophobicContact CE2-CG2 4.13Å; F814-I947 HydrophobicContact CZ-CG2 4.24Å; F814-I947 WeakPolarHBondContact CZ-O 3.4Å; F814-L949 HydrophobicContact CB-CD1 3.93Å; F814-L949 HydrophobicContact CD1-CB 4.2Å; F814-L949 HydrophobicContact CD1-CD1 3.7Å; F814-L949 HydrophobicContact CD1-CG 4.08Å; F814-L949 HydrophobicContact CD2-CD1 3.73Å; F814-L949 HydrophobicContact CD2-CG 4.18Å; F814-L949 HydrophobicContact CE1-CB 3.88Å; F814-L949 HydrophobicContact CE1-CD1 4.06Å; F814-L949 HydrophobicContact CE1-CG 3.9Å; F814-L949 HydrophobicContact CE2-CD1 4.07Å; F814-L949 HydrophobicContact CE2-CG 3.98Å; F814-L949 HydrophobicContact CG-CD1 3.52Å; F814-L949 HydrophobicContact CG-CG 4.22Å; F814-L949 HydrophobicContact CZ-CB 4.2Å; F814-L949 HydrophobicContact CZ-CD1 4.23Å; F814-L949 HydrophobicContact CZ-CG 3.84Å
815M74.4Confident70.8Confident32 Ų3253.9 Ų53.916%0.15828%0.283CS..Hα-helixtrans-63.3-38.9175.5-69.9-60.7-65.200112.6F811 I817 Y819 F823 I828F811-M815 HydrophobicContact CD1-CG 4.06Å; F811-M815 HydrophobicContact CE1-CG 3.66Å; F811-M815 HydrophobicContact CE1-SD 4.38Å; F811-M815 HydrophobicContact CE2-CG 4.46Å; F811-M815 HydrophobicContact CZ-CG 3.88Å; F811-M815 HydrophobicContact CZ-SD 4.03Å; F811-M815 WeakPolarHBondContact O-CG 3.09Å; F811-M815 PolarHBondContact O-N 3.06Å; M815-I817 VanDerWaalsContact C-N 3.32Å; M815-I817 PolarHBondContact O-N 2.83Å; M815-Y819 HydrophobicContact CE-CD2 3.72Å; M815-Y819 HydrophobicContact CE-CG 4.35Å; M815-Y819 CarbonylContact O-C 3.41Å; M815-Y819 VanDerWaalsContact O-C 3.28Å; M815-Y819 WeakPolarHBondContact O-CA 3.42Å; M815-Y819 PolarHBondContact O-N 3.2Å; M815-Y819 HydrophobicContact SD-CD2 3.8Å; M815-Y819 HydrophobicContact SD-CE2 4.29Å; M815-F823 HydrophobicContact CB-CD2 4.23Å; M815-I828 HydrophobicContact CB-CD1 4.4Å
816L73.8Confident69.9Low6 Ų654.7 Ų54.73%0.03129%0.292CS..Hα-helixtrans-60.9-39.4174.1171.765.3000112.4Y797 F801 Q805 R812 F813 F814 F823Y797-L816 HydrophobicContact CE1-CD1 4.44Å; F801-L816 HydrophobicContact CE1-CD2 4.01Å; Q805-L816 HydrophobicContact CB-CD2 4.36Å; Q805-L816 HydrophobicContact CG-CD2 4.01Å; R812-L816 PolarHBondContact O-N 3.17Å; F813-L816 WeakPolarHBondContact O-CB 3.26Å; F813-L816 PolarHBondContact O-N 3.39Å; F814-L816 PolarHBondContact O-N 2.99Å; L816-F823 HydrophobicContact CB-CD1 4.33Å; L816-F823 HydrophobicContact CB-CD2 3.84Å; L816-F823 HydrophobicContact CB-CE1 4.24Å; L816-F823 HydrophobicContact CB-CE2 3.72Å; L816-F823 HydrophobicContact CB-CG 4.11Å; L816-F823 HydrophobicContact CB-CZ 3.9Å; L816-F823 HydrophobicContact CD1-CD1 3.62Å; L816-F823 HydrophobicContact CD1-CE1 3.74Å; L816-F823 HydrophobicContact CD1-CG 4.06Å; L816-F823 HydrophobicContact CD1-CZ 4.26Å; L816-F823 HydrophobicContact CG-CE1 4.41Å; L816-F823 HydrophobicContact CG-CZ 4.45Å
817I74Confident69.1Low8 Ų859.7 Ų59.74%0.04132%0.319CS..Hα-helixtrans-73.4-50.4178.5-69.4-179.2000111.2M802 F813 F814 M815 V940 W943 V944M802-I817 HydrophobicContact CE-CD1 4.12Å; M802-I817 HydrophobicContact CE-CG1 4.12Å; F813-I817 HydrophobicContact CD1-CD1 4.1Å; F813-I817 HydrophobicContact CE1-CD1 3.5Å; F813-I817 HydrophobicContact CE2-CD1 4.24Å; F813-I817 HydrophobicContact CZ-CD1 3.59Å; F813-I817 HydrophobicContact CZ-CG1 4.39Å; F813-I817 PolarHBondContact O-N 3.48Å; F813-I817 VanDerWaalsContact O-N 3.11Å; F814-I817 PolarHBondContact O-N 3.48Å; M815-I817 VanDerWaalsContact C-N 3.32Å; M815-I817 PolarHBondContact O-N 2.83Å; I817-V940 HydrophobicContact CB-CG1 4.42Å; I817-V940 HydrophobicContact CD1-CG1 3.78Å; I817-V940 HydrophobicContact CG1-CG1 3.7Å; I817-V940 HydrophobicContact CG2-CG1 4.05Å; I817-V940 WeakPolarHBondContact CG2-O 3.42Å; I817-W943 HydrophobicContact CD1-CE3 4.15Å; I817-W943 HydrophobicContact CD1-CZ3 4.2Å; I817-V944 HydrophobicContact CB-CG2 4.43Å; I817-V944 HydrophobicContact CG2-CB 4.16Å; I817-V944 HydrophobicContact CG2-CG2 3.73Å
818K73.4Confident68.5Low47 Ų4754 Ų5420%0.20430%0.296CS..Hα-helixtrans-84.5-29.7-169.3-162.4176.7-175.8-176.90113.9F814 V944 I947 D959F814-K818 HydrophobicContact CE1-CB 4.43Å; F814-K818 HydrophobicContact CE1-CD 3.95Å; F814-K818 HydrophobicContact CZ-CD 4.22Å; F814-K818 PolarHBondContact O-N 3.41Å; K818-V944 HydrophobicContact CB-CG1 4.19Å; K818-V944 HydrophobicContact CD-CG1 3.93Å; K818-V944 HydrophobicContact CG-CG1 4.27Å; K818-I947 PolarHBondContact NZ-O 2.92Å; K818-D959 IonicContact NZ-OD1 2.56Å; K818-D959 PolarHBondContact NZ-OD1 3.46Å; K818-D959 IonicContact NZ-OD2 2.86Å
819Y71.6Confident67.9Low80 Ų8057.5 Ų57.531%0.31430%0.296SS..  trans-136.459.2-175.3-53.7-72.1000111.5M815 D821 V822 F823M815-Y819 HydrophobicContact CE-CD2 3.72Å; M815-Y819 HydrophobicContact CE-CG 4.35Å; M815-Y819 CarbonylContact O-C 3.41Å; M815-Y819 VanDerWaalsContact O-C 3.28Å; M815-Y819 WeakPolarHBondContact O-CA 3.42Å; M815-Y819 PolarHBondContact O-N 3.2Å; M815-Y819 HydrophobicContact SD-CD2 3.8Å; M815-Y819 HydrophobicContact SD-CE2 4.29Å; Y819-D821 VanDerWaalsContact C-N 3.28Å; Y819-D821 PolarHBondContact O-N 2.78Å; Y819-V822 PolarHBondContact O-N 3.16Å; Y819-V822 VanDerWaalsContact O-N 3.15Å; Y819-F823 PolarHBondContact O-N 2.95Å
820P70.3Confident67.1Low39 Ų3963.3 Ų63.325%0.25332%0.321SS..Hα-helixtrans-57.8-36.7-174.423.4-34.5000113.4F823 E824P820-F823 WeakPolarHBondContact O-CB 3.23Å; P820-F823 PolarHBondContact O-N 3.32Å; P820-E824 PolarHBondContact O-N 3.47Å
821D68.3Low65.9Low121 Ų12164.5 Ų64.565%0.64733%0.329SS*.Hα-helixtrans-67.9-40.4179.6-52.2-43.4000111.8Y819 F823 E824 V825Y819-D821 VanDerWaalsContact C-N 3.28Å; Y819-D821 PolarHBondContact O-N 2.78Å; D821-F823 VanDerWaalsContact C-N 3.27Å; D821-F823 PolarHBondContact O-N 3.4Å; D821-E824 PolarHBondContact O-N 3.22Å; D821-V825 WeakPolarHBondContact O-CG2 3.46Å; D821-V825 PolarHBondContact O-N 3.17Å
822V66.4Low65Low70 Ų7071.3 Ų71.342%0.42436%0.362SS..Hα-helixtrans-65.1-36.4172.8-175.90000110Y819 V825 C826Y819-V822 PolarHBondContact O-N 3.16Å; Y819-V822 VanDerWaalsContact O-N 3.15Å; V822-V825 PolarHBondContact O-N 3.01Å; V822-C826 WeakPolarHBondContact O-CB 3.12Å; V822-C826 PolarHBondContact O-N 3.35Å; V822-C826 PolarHBondContact O-SG 3.5Å
823F66.9Low64.1Low22 Ų2270.9 Ų70.910%0.09637%0.365CS..Hα-helixtrans-68.3-34.2179.6-167.7-88.8000114.2R812 M815 L816 Y819 P820 D821 I828R812-F823 HydrophobicContact CG-CE2 3.37Å; R812-F823 HydrophobicContact CG-CZ 3.75Å; R812-F823 VanDerWaalsContact NE-CZ 3.28Å; R812-F823 WeakPolarHBondContact O-CE2 3.11Å; M815-F823 HydrophobicContact CB-CD2 4.23Å; L816-F823 HydrophobicContact CB-CD1 4.33Å; L816-F823 HydrophobicContact CB-CD2 3.84Å; L816-F823 HydrophobicContact CB-CE1 4.24Å; L816-F823 HydrophobicContact CB-CE2 3.72Å; L816-F823 HydrophobicContact CB-CG 4.11Å; L816-F823 HydrophobicContact CB-CZ 3.9Å; L816-F823 HydrophobicContact CD1-CD1 3.62Å; L816-F823 HydrophobicContact CD1-CE1 3.74Å; L816-F823 HydrophobicContact CD1-CG 4.06Å; L816-F823 HydrophobicContact CD1-CZ 4.26Å; L816-F823 HydrophobicContact CG-CE1 4.41Å; L816-F823 HydrophobicContact CG-CZ 4.45Å; Y819-F823 PolarHBondContact O-N 2.95Å; P820-F823 WeakPolarHBondContact O-CB 3.23Å; P820-F823 PolarHBondContact O-N 3.32Å; D821-F823 VanDerWaalsContact C-N 3.27Å; D821-F823 PolarHBondContact O-N 3.4Å; F823-I828 HydrophobicContact CD2-CD1 3.99Å; F823-I828 HydrophobicContact CE2-CD1 4.44Å
824E63.5Low63Low123 Ų12378.1 Ų78.158%0.57540%0.398SS*.Hα-helixtrans-76.7-26176.4-72.7-174.8170.100112.6K795 P820 D821K795-E824 IonicContact NZ-OE1 3.19Å; K795-E824 PolarHBondContact NZ-OE1 3.31Å; K795-E824 IonicContact NZ-OE2 2.7Å; K795-E824 PolarHBondContact NZ-OE2 3.37Å; P820-E824 PolarHBondContact O-N 3.47Å; D821-E824 PolarHBondContact O-N 3.22Å
825V65.7Low62Low128 Ų12882.2 Ų82.278%0.77642%0.423SS*.Hα-helixtrans-86.4-38.8175.6176.70000112.4D821 V822D821-V825 WeakPolarHBondContact O-CG2 3.46Å; D821-V825 PolarHBondContact O-N 3.17Å; V822-V825 PolarHBondContact O-N 3.01Å
826C55Low61.1Low57 Ų5785.5 Ų85.539%0.38546%0.456SS..  trans-89.1120.8-176.3-670000112.2V822 I828V822-C826 WeakPolarHBondContact O-CB 3.12Å; V822-C826 PolarHBondContact O-N 3.35Å; V822-C826 PolarHBondContact O-SG 3.5Å; C826-I828 HydrophobicContact CB-CD1 4.37Å; C826-I828 HydrophobicContact CB-CG1 3.75Å; C826-I828 WeakPolarHBondContact O-CG1 2.89Å; C826-I828 PolarHBondContact O-N 3.21Å
827D56.7Low60.6Low109 Ų10987.1 Ų87.158%0.58347%0.468SS*.  trans-8167.1175.3-158.1-1.7000110.7K829D827-K829 PolarHBondContact O-N 3.02Å; D827-K829 WeakPolarHBondContact OD1-CD 3.07Å; D827-K829 WeakPolarHBondContact OD1-CE 2.92Å; D827-K829 IonicContact OD1-NZ 2.78Å; D827-K829 PolarHBondContact OD1-NZ 3.34Å; D827-K829 IonicContact OD2-NZ 2.68Å; D827-K829 PolarHBondContact OD2-NZ 2.81Å
828I59.4Low60.6Low27 Ų2791.3 Ų91.314%0.13850%0.498CS..  trans-66.468.9-169.7-43.8-178.6000112.7R812 M815 F823 C826 C831R812-I828 PolarHBondContact NH1-O 3.31Å; M815-I828 HydrophobicContact CB-CD1 4.4Å; F823-I828 HydrophobicContact CD2-CD1 3.99Å; F823-I828 HydrophobicContact CE2-CD1 4.44Å; C826-I828 HydrophobicContact CB-CD1 4.37Å; C826-I828 HydrophobicContact CB-CG1 3.75Å; C826-I828 WeakPolarHBondContact O-CG1 2.89Å; C826-I828 PolarHBondContact O-N 3.21Å; I828-C831 HydrophobicContact CG2-CB 4.25Å; I828-C831 WeakPolarHBondContact CG2-SG 3.35Å
829K54.6Low61Low150 Ų15091.2 Ų91.265%0.65250%0.496SS*.  trans-90.2-34.1-173.6-79.7168.1170152.80113.7D827D827-K829 PolarHBondContact O-N 3.02Å; D827-K829 WeakPolarHBondContact OD1-CD 3.07Å; D827-K829 WeakPolarHBondContact OD1-CE 2.92Å; D827-K829 IonicContact OD1-NZ 2.78Å; D827-K829 PolarHBondContact OD1-NZ 3.34Å; D827-K829 IonicContact OD2-NZ 2.68Å; D827-K829 PolarHBondContact OD2-NZ 2.81Å
830E51.2Low61.5Low184 Ų18490.9 Ų90.986%0.8650%0.495SS*.  trans-134.657.7-171.3-66.7177.5169.700111.5E832E830-E832 VanDerWaalsContact C-N 3.3Å; E830-E832 PolarHBondContact O-N 3.34Å; E830-E832 VanDerWaalsContact O-N 3.13Å
831C46.7Very low62.2Low63 Ų6394 Ų9443%0.42651%0.506SS..  trans-79.480.5162.8-79.20000110I828 V833I828-C831 HydrophobicContact CG2-CB 4.25Å; I828-C831 WeakPolarHBondContact CG2-SG 3.35Å; C831-V833 PolarHBondContact O-N 3.1Å; C831-V833 VanDerWaalsContact O-N 3.16Å
832E50.8Low62.7Low176 Ų17688.9 Ų88.982%0.82248%0.479SS*.  trans-71101.1164.3-67.7-159.4134.300109.2E830 H834E830-E832 VanDerWaalsContact C-N 3.3Å; E830-E832 PolarHBondContact O-N 3.34Å; E830-E832 VanDerWaalsContact O-N 3.13Å; E832-H834 PolarHBondContact O-N 2.9Å
833V53Low63.2Low44 Ų4487.5 Ų87.527%0.26747%0.472SS..  trans-66.1121.7176.21740000109.3C831 V835 S954C831-V833 PolarHBondContact O-N 3.1Å; C831-V833 VanDerWaalsContact O-N 3.16Å; V833-V835 VanDerWaalsContact O-CG2 3.22Å; V833-V835 WeakPolarHBondContact O-CG2 3.42Å; V833-V835 PolarHBondContact O-N 2.73Å; V833-S954 WeakPolarHBondContact CG1-OG 3.36Å
834H51.5Low63.9Low152 Ų15292.1 Ų92.170%0.70449%0.494SS*.  trans-66.5107.6172.3-86.4-109.7000109.8E832 A836E832-H834 PolarHBondContact O-N 2.9Å; H834-A836 PolarHBondContact O-N 2.89Å
835V55.3Low64.8Low88 Ų8886.5 Ų86.553%0.53347%0.468SS..THydrogen-bonded Turntrans-79.6-4-171.6-162.40000113V833 H913V833-V835 VanDerWaalsContact O-CG2 3.22Å; V833-V835 WeakPolarHBondContact O-CG2 3.42Å; V833-V835 PolarHBondContact O-N 2.73Å; V835-H913 VanDerWaalsContact CG1-CE1 3.47Å; V835-H913 WeakPolarHBondContact CG1-CE1 3.32Å
836A55.7Low65.6Low102 Ų10287.5 Ų87.584%0.84346%0.459SS*.THydrogen-bonded Turntrans-97.66.5-167.100000115.6H834H834-A836 PolarHBondContact O-N 2.89Å
837S63.6Low66.9Low40 Ų4089.2 Ų89.228%0.2846%0.463SS..PPolyproline II helixtrans-74.2134.2178.254.60000112.6C953S837-C953 VanDerWaalsContact CB-CB 3.47Å; S837-C953 WeakPolarHBondContact OG-CA 3.13Å; S837-C953 VanDerWaalsContact OG-CB 3.26Å; S837-C953 WeakPolarHBondContact OG-CB 3.45Å; S837-C953 PolarHBondContact OG-O 3.45Å
838S73.4Confident68.2Low96 Ų9686.2 Ų86.267%0.67144%0.444SS*.PPolyproline II helixtrans-68.4151.1167440000112.2R840S838-R840 PolarHBondContact O-N 2.92Å
839Y82.6Confident69.3Low44 Ų4485.9 Ų85.917%0.17344%0.441CS..PPolyproline II helixtrans-60.7131.3168.8178.2-96.9000110.5E841 C907 L908 W909 N910 I912 Q955Y839-E841 HydrophobicContact CD1-CG 4.31Å; Y839-E841 HydrophobicContact CE1-CG 3.95Å; Y839-C907 PolarHBondContact OH-O 3.42Å; Y839-L908 PolarHBondContact OH-O 3.41Å; Y839-W909 WeakPolarHBondContact CE2-O 3.25Å; Y839-N910 HydrophobicContact CD1-CB 4.08Å; Y839-N910 HydrophobicContact CE1-CB 3.99Å; Y839-I912 HydrophobicContact CD2-CG1 4.2Å; Y839-Q955 HydrophobicContact CD2-CG 4.08Å; Y839-Q955 HydrophobicContact CE2-CG 4.11Å
840R81.6Confident70.6Confident74 Ų7483 Ų8328%0.27943%0.429SS..  trans-108111.3-178.7-132.7170.4-177.8-85.42.4108.6S838 P842 Q955 G968 E972S838-R840 PolarHBondContact O-N 2.92Å; R840-P842 WeakPolarHBondContact O-CD 3.28Å; R840-Q955 PolarHBondContact O-NE2 2.66Å; R840-G968 VanDerWaalsContact CZ-CA 3.45Å; R840-G968 VanDerWaalsContact NH2-CA 3.3Å; R840-G968 PolarHBondContact NH2-O 2.92Å; R840-G968 VanDerWaalsContact NH2-O 3.1Å; R840-E972 IonicContact CZ-OE1 3.95Å; R840-E972 IonicContact NE-OE1 3.89Å; R840-E972 PolarHBondContact NE-OE1 3.29Å; R840-E972 IonicContact NH2-OE1 2.84Å; R840-E972 PolarHBondContact NH2-OE1 3.09Å
841E83.5Confident72.2Confident103 Ų10379.5 Ų79.548%0.48141%0.411SS..PPolyproline II helixtrans-60.3126.3-179.2-73-177.8-164.700110.7Y839 F845 Y846Y839-E841 HydrophobicContact CD1-CG 4.31Å; Y839-E841 HydrophobicContact CE1-CG 3.95Å; E841-F845 HydrophobicContact CB-CB 4.15Å; E841-F845 HydrophobicContact CB-CD1 4.36Å; E841-F845 HydrophobicContact CB-CG 4.22Å; E841-F845 HydrophobicContact CG-CD1 3.9Å; E841-F845 HydrophobicContact CG-CE1 4.24Å; E841-F845 HydrophobicContact CG-CG 4.22Å; E841-F845 WeakPolarHBondContact OE2-CD1 3.36Å; E841-Y846 PolarHBondContact OE1-OH 3.5Å; E841-Y846 WeakPolarHBondContact OE2-CE2 3.33Å; E841-Y846 PolarHBondContact OE2-OH 2.9Å
842P80Confident74.1Confident15 Ų1577 Ų7710%0.09739%0.393CS..PPolyproline II helixtrans-63.6159.8175.3-23.934.2000113.3R840 H844 F845R840-P842 WeakPolarHBondContact O-CD 3.28Å; P842-H844 PolarHBondContact O-N 3.32Å; P842-F845 WeakPolarHBondContact O-CB 3.27Å; P842-F845 PolarHBondContact O-N 3.23Å
843S77.4Confident75.7Confident40 Ų4069.9 Ų69.928%0.2836%0.359SS..THydrogen-bonded Turntrans-52.7136.7174.3-103.60000112.3F845 R848 E964S843-F845 PolarHBondContact O-N 3.37Å; S843-R848 WeakPolarHBondContact O-CD 3.28Å; S843-R848 PolarHBondContact O-NH1 2.77Å; S843-R848 VanDerWaalsContact O-NH1 3.15Å; S843-E964 WeakPolarHBondContact CB-OE2 3.46Å; S843-E964 VanDerWaalsContact OG-CD 3.25Å; S843-E964 PolarHBondContact OG-OE1 3.18Å; S843-E964 PolarHBondContact OG-OE2 3.24Å
844H80.9Confident77.3Confident119 Ų11971.1 Ų71.155%0.55136%0.364SS*.THydrogen-bonded Turntrans54.526.7-175.5-56.4-58.2000115.6P842 Y846 L847 R848P842-H844 PolarHBondContact O-N 3.32Å; H844-Y846 VanDerWaalsContact C-N 3.34Å; H844-Y846 PolarHBondContact O-N 3.29Å; H844-Y846 VanDerWaalsContact O-N 3.1Å; H844-L847 HydrophobicContact CB-CB 4.33Å; H844-L847 HydrophobicContact CB-CD1 4.36Å; H844-L847 WeakPolarHBondContact O-CA 3.38Å; H844-L847 PolarHBondContact O-N 3.47Å; H844-R848 PolarHBondContact O-N 2.92Å
845F82.4Confident78.8Confident5 Ų567.5 Ų67.52%0.02235%0.347CS..Hα-helixtrans-37.1-55.1-178.1-179.8-119.6000114.8L498 E841 P842 S843 L847 R848 R849 L908L498-F845 HydrophobicContact CB-CZ 4.32Å; E841-F845 HydrophobicContact CB-CB 4.15Å; E841-F845 HydrophobicContact CB-CD1 4.36Å; E841-F845 HydrophobicContact CB-CG 4.22Å; E841-F845 HydrophobicContact CG-CD1 3.9Å; E841-F845 HydrophobicContact CG-CE1 4.24Å; E841-F845 HydrophobicContact CG-CG 4.22Å; E841-F845 WeakPolarHBondContact OE2-CD1 3.36Å; P842-F845 WeakPolarHBondContact O-CB 3.27Å; P842-F845 PolarHBondContact O-N 3.23Å; S843-F845 PolarHBondContact O-N 3.37Å; F845-L847 PolarHBondContact O-N 3.48Å; F845-R848 PolarHBondContact O-N 2.77Å; F845-R849 WeakPolarHBondContact O-CB 2.95Å; F845-R849 PolarHBondContact O-N 3.11Å; F845-L908 HydrophobicContact CD2-CD2 3.75Å; F845-L908 HydrophobicContact CE2-CB 4.29Å; F845-L908 HydrophobicContact CE2-CD2 3.88Å; F845-L908 WeakPolarHBondContact CE2-O 3.27Å
846Y81.8Confident80.2Confident149 Ų14963.4 Ų63.458%0.58432%0.322SS*.Hα-helixtrans-61.4-39.3-179.6-61.9-90.1000113.6E841 H844 F850E841-Y846 PolarHBondContact OE1-OH 3.5Å; E841-Y846 WeakPolarHBondContact OE2-CE2 3.33Å; E841-Y846 PolarHBondContact OE2-OH 2.9Å; H844-Y846 VanDerWaalsContact C-N 3.34Å; H844-Y846 PolarHBondContact O-N 3.29Å; H844-Y846 VanDerWaalsContact O-N 3.1Å; Y846-F850 WeakPolarHBondContact O-CB 3.32Å; Y846-F850 PolarHBondContact O-N 3.03Å
847L83Confident81.6Confident93 Ų9363.5 Ų63.549%0.48731%0.305SS..Hα-helixtrans-71.7-42.4176.4-65.6175000111.1H844 F845 F850 F851H844-L847 HydrophobicContact CB-CB 4.33Å; H844-L847 HydrophobicContact CB-CD1 4.36Å; H844-L847 WeakPolarHBondContact O-CA 3.38Å; H844-L847 PolarHBondContact O-N 3.47Å; F845-L847 PolarHBondContact O-N 3.48Å; L847-F850 PolarHBondContact O-N 2.56Å; L847-F851 HydrophobicContact CB-CD2 4.49Å; L847-F851 HydrophobicContact CB-CE2 4.45Å; L847-F851 WeakPolarHBondContact O-CD2 3.25Å; L847-F851 PolarHBondContact O-N 3.33Å
848R84.2Confident82.5Confident47 Ų4765.7 Ų65.718%0.17733%0.326CS..Hα-helixtrans-63.8-41.3176.9-74.2177.3166.4176.7-9.5111.7S843 H844 F845 F852 L908 E960 D961S843-R848 WeakPolarHBondContact O-CD 3.28Å; S843-R848 PolarHBondContact O-NH1 2.77Å; S843-R848 VanDerWaalsContact O-NH1 3.15Å; H844-R848 PolarHBondContact O-N 2.92Å; F845-R848 PolarHBondContact O-N 2.77Å; R848-F852 WeakPolarHBondContact O-CB 3.44Å; R848-F852 PolarHBondContact O-N 2.92Å; R848-L908 HydrophobicContact CB-CD2 4.21Å; R848-E960 IonicContact NH2-OE2 2.68Å; R848-E960 PolarHBondContact NH2-OE2 3.06Å; R848-D961 IonicContact CZ-OD1 2.65Å; R848-D961 IonicContact CZ-OD2 2.84Å; R848-D961 IonicContact NH1-OD1 3.11Å; R848-D961 PolarHBondContact NH1-OD1 3.35Å; R848-D961 IonicContact NH1-OD2 2.73Å; R848-D961 PolarHBondContact NH1-OD2 3.3Å; R848-D961 IonicContact NH2-OD1 2.97Å; R848-D961 PolarHBondContact NH2-OD1 2.84Å; R848-D961 IonicContact NH2-OD2 3.26Å
849R82.3Confident82.9Confident20 Ų2064.7 Ų64.78%0.07531%0.311CS..Hα-helixtrans-59.9-43.7170.1172.3178.2163.5-178.1-10.7112.1F491 F495 L498 F845 F852 F853F491-R849 HydrophobicContact CZ-CG 4.4Å; F495-R849 VanDerWaalsContact O-CZ 3.23Å; F495-R849 PolarHBondContact O-NH1 2.88Å; F495-R849 PolarHBondContact O-NH2 3.29Å; L498-R849 HydrophobicContact CD1-CG 3.95Å; L498-R849 PolarHBondContact O-NH1 2.61Å; F845-R849 WeakPolarHBondContact O-CB 2.95Å; F845-R849 PolarHBondContact O-N 3.11Å; R849-F852 PolarHBondContact O-N 3.25Å; R849-F853 PolarHBondContact O-N 2.58Å
850F82Confident82.9Confident88 Ų8863.4 Ų63.439%0.38631%0.307SS..Hα-helixtrans-64.3-48177.7177.5-102000112.3F491 Y846 L847 F852 F853 L854F491-F850 HydrophobicContact CD2-CD2 4.49Å; F491-F850 HydrophobicContact CE2-CB 4.49Å; F491-F850 AromaticContact CE2-CD2 3.94Å; F491-F850 HydrophobicContact CE2-CD2 3.94Å; F491-F850 HydrophobicContact CZ-CB 4.18Å; F491-F850 HydrophobicContact CZ-CD2 4.06Å; Y846-F850 WeakPolarHBondContact O-CB 3.32Å; Y846-F850 PolarHBondContact O-N 3.03Å; L847-F850 PolarHBondContact O-N 2.56Å; F850-F852 PolarHBondContact O-N 3.28Å; F850-F853 PolarHBondContact O-N 2.84Å; F850-L854 HydrophobicContact CD1-CD1 4.02Å; F850-L854 HydrophobicContact CE1-CD1 3.44Å; F850-L854 VanDerWaalsContact CE1-CD1 3.44Å; F850-L854 HydrophobicContact CE1-CG 4.24Å; F850-L854 HydrophobicContact CZ-CD1 3.75Å; F850-L854 HydrophobicContact CZ-CG 4.24Å; F850-L854 PolarHBondContact O-N 2.64Å
851F84.8Confident82.9Confident112 Ų11266.1 Ų66.149%0.49132%0.322SS..Hα-helixtrans-66.8-34.2175.9-72.4-60.9000112.8L847 L854 H855L847-F851 HydrophobicContact CB-CD2 4.49Å; L847-F851 HydrophobicContact CB-CE2 4.45Å; L847-F851 WeakPolarHBondContact O-CD2 3.25Å; L847-F851 PolarHBondContact O-N 3.33Å; F851-L854 HydrophobicContact CD1-CD1 4.27Å; F851-L854 PolarHBondContact O-N 2.96Å; F851-H855 WeakPolarHBondContact O-CB 3.39Å; F851-H855 PolarHBondContact O-N 3.25Å
852F86.7Confident82.8Confident11 Ų1168 Ų685%0.04833%0.331CS..Hα-helixtrans-63.2-41.5171.9177.4-107.9000111.9F495 R848 R849 F850 H855 L856 I901 K904 L905 L908F495-F852 HydrophobicContact CE1-CE1 4.34Å; R848-F852 WeakPolarHBondContact O-CB 3.44Å; R848-F852 PolarHBondContact O-N 2.92Å; R849-F852 PolarHBondContact O-N 3.25Å; F850-F852 PolarHBondContact O-N 3.28Å; F852-H855 WeakPolarHBondContact O-CB 3.39Å; F852-H855 PolarHBondContact O-N 3Å; F852-L856 HydrophobicContact CD1-CD1 4.13Å; F852-L856 HydrophobicContact CE1-CD1 3.6Å; F852-L856 HydrophobicContact CE1-CG 4.37Å; F852-L856 HydrophobicContact CZ-CD1 3.82Å; F852-L856 HydrophobicContact CZ-CD2 4.47Å; F852-L856 HydrophobicContact CZ-CG 4.23Å; F852-L856 WeakPolarHBondContact O-CG 3.42Å; F852-L856 PolarHBondContact O-N 2.91Å; F852-I901 HydrophobicContact CE2-CG2 3.92Å; F852-I901 HydrophobicContact CZ-CG2 3.88Å; F852-K904 HydrophobicContact CD2-CB 3.7Å; F852-K904 HydrophobicContact CD2-CD 4.11Å; F852-K904 HydrophobicContact CE2-CB 3.65Å; F852-K904 HydrophobicContact CE2-CD 4.46Å; F852-L905 HydrophobicContact CE1-CB 4.39Å; F852-L905 HydrophobicContact CE1-CD1 3.85Å; F852-L905 HydrophobicContact CZ-CB 3.81Å; F852-L905 HydrophobicContact CZ-CD1 4.04Å; F852-L908 HydrophobicContact CB-CD1 4.02Å; F852-L908 HydrophobicContact CD1-CD1 4.17Å; F852-L908 HydrophobicContact CG-CD1 4.06Å
853F84.5Confident83Confident25 Ų2572.7 Ų72.711%0.1136%0.355CS..Hα-helixtrans-64.8-42.6173.4179-114.6000112.6F491 A494 F495 R849 F850 H855 L856 Q857 L865F491-F853 AromaticContact CD2-CD1 3.65Å; F491-F853 HydrophobicContact CD2-CD1 3.65Å; F491-F853 HydrophobicContact CD2-CE1 4.1Å; F491-F853 HydrophobicContact CD2-CG 4.21Å; F491-F853 HydrophobicContact CE2-CB 4.04Å; F491-F853 AromaticContact CE2-CD1 3.92Å; F491-F853 HydrophobicContact CE2-CD1 3.92Å; F491-F853 HydrophobicContact CE2-CG 4.17Å; A494-F853 HydrophobicContact CB-CE2 4.32Å; F495-F853 AromaticContact CD2-CD2 3.63Å; F495-F853 HydrophobicContact CD2-CD2 3.63Å; F495-F853 HydrophobicContact CD2-CE2 4.01Å; F495-F853 HydrophobicContact CD2-CG 4.38Å; F495-F853 AromaticContact CE2-CD2 3.23Å; F495-F853 HydrophobicContact CE2-CD2 3.23Å; F495-F853 AromaticContact CE2-CE2 3.58Å; F495-F853 HydrophobicContact CE2-CE2 3.58Å; F495-F853 HydrophobicContact CE2-CG 4.3Å; F495-F853 HydrophobicContact CZ-CD2 4.04Å; R849-F853 PolarHBondContact O-N 2.58Å; F850-F853 PolarHBondContact O-N 2.84Å; F853-H855 VanDerWaalsContact C-N 3.28Å; F853-H855 PolarHBondContact O-N 2.91Å; F853-L856 PolarHBondContact O-N 3.25Å; F853-Q857 WeakPolarHBondContact O-CB 3.34Å; F853-Q857 PolarHBondContact O-N 3.36Å; F853-L865 HydrophobicContact CE2-CD1 4.16Å; F853-L865 HydrophobicContact CE2-CD2 3.89Å; F853-L865 HydrophobicContact CE2-CG 4.31Å; F853-L865 HydrophobicContact CZ-CD2 4.21Å
854L85.2Confident83.4Confident70 Ų7073.5 Ų73.537%0.36636%0.355SS..Hα-helixtrans-62.9-33.7174.6-71.2179.7000112.8F850 F851 A858F850-L854 HydrophobicContact CD1-CD1 4.02Å; F850-L854 HydrophobicContact CE1-CD1 3.44Å; F850-L854 VanDerWaalsContact CE1-CD1 3.44Å; F850-L854 HydrophobicContact CE1-CG 4.24Å; F850-L854 HydrophobicContact CZ-CD1 3.75Å; F850-L854 HydrophobicContact CZ-CG 4.24Å; F850-L854 PolarHBondContact O-N 2.64Å; F851-L854 HydrophobicContact CD1-CD1 4.27Å; F851-L854 PolarHBondContact O-N 2.96Å; L854-A858 WeakPolarHBondContact O-CB 3.39Å; L854-A858 PolarHBondContact O-N 3.18Å; L854-A858 VanDerWaalsContact O-N 3.07Å
855H84.6Confident83.6Confident77 Ų7768.5 Ų68.536%0.35633%0.332SS..Hα-helixtrans-64.5-50174-157.9-70.1000110.3F851 F852 F853 Q857 A858 E859 K904F851-H855 WeakPolarHBondContact O-CB 3.39Å; F851-H855 PolarHBondContact O-N 3.25Å; F852-H855 WeakPolarHBondContact O-CB 3.39Å; F852-H855 PolarHBondContact O-N 3Å; F853-H855 VanDerWaalsContact C-N 3.28Å; F853-H855 PolarHBondContact O-N 2.91Å; H855-Q857 VanDerWaalsContact C-N 3.34Å; H855-Q857 PolarHBondContact O-N 3.22Å; H855-A858 PolarHBondContact O-N 3.09Å; H855-A858 VanDerWaalsContact O-N 3.1Å; H855-E859 VanDerWaalsContact CE1-CD 3.45Å; H855-E859 IonicContact CE1-OE1 3.19Å; H855-E859 PolarHBondContact CE1-OE1 3.3Å; H855-E859 IonicContact CE1-OE2 3.32Å; H855-E859 PolarHBondContact CE1-OE2 3.3Å; H855-E859 VanDerWaalsContact CE1-OE2 3.26Å; H855-E859 IonicContact CG-OE2 2.58Å; H855-E859 IonicContact ND1-OE1 3.97Å; H855-E859 PolarHBondContact ND1-OE1 3.22Å; H855-E859 IonicContact ND1-OE2 3.94Å; H855-E859 PolarHBondContact ND1-OE2 2.73Å; H855-E859 PolarHBondContact O-N 3.13Å; H855-E859 VanDerWaalsContact O-N 3.14Å; H855-K904 PolarHBondContact NE2-NZ 3.12Å
856L84.6Confident83.7Confident1 Ų173.1 Ų73.11%0.00535%0.354CS..Hα-helixtrans-58.8-43.1174.3-70.7175.1000112.3F495 F852 F853 A858 E859 L860 L865 L868 I901F495-L856 HydrophobicContact CE1-CD1 4.2Å; F495-L856 HydrophobicContact CZ-CD1 3.69Å; F852-L856 HydrophobicContact CD1-CD1 4.13Å; F852-L856 HydrophobicContact CE1-CD1 3.6Å; F852-L856 HydrophobicContact CE1-CG 4.37Å; F852-L856 HydrophobicContact CZ-CD1 3.82Å; F852-L856 HydrophobicContact CZ-CD2 4.47Å; F852-L856 HydrophobicContact CZ-CG 4.23Å; F852-L856 WeakPolarHBondContact O-CG 3.42Å; F852-L856 PolarHBondContact O-N 2.91Å; F853-L856 PolarHBondContact O-N 3.25Å; L856-A858 PolarHBondContact O-N 2.84Å; L856-E859 PolarHBondContact O-N 3.07Å; L856-L860 HydrophobicContact CB-CD1 4.37Å; L856-L860 HydrophobicContact CD2-CD1 3.76Å; L856-L860 WeakPolarHBondContact O-CB 3.48Å; L856-L860 WeakPolarHBondContact O-CD1 3.46Å; L856-L860 PolarHBondContact O-N 3.02Å; L856-L865 HydrophobicContact CB-CD1 3.87Å; L856-L868 HydrophobicContact CD1-CD2 4.18Å; L856-L868 HydrophobicContact CD2-CD1 4.17Å; L856-I901 HydrophobicContact CD2-CD1 3.9Å; L856-I901 HydrophobicContact CD2-CG1 4.32Å; L856-I901 HydrophobicContact CD2-CG2 3.78Å
857Q83.8Confident84Confident104 Ų10470.4 Ų70.449%0.48635%0.346SS..Hα-helixtrans-69.7-16178.5-167.3177.19.700113.4F853 H855 L865F853-Q857 WeakPolarHBondContact O-CB 3.34Å; F853-Q857 PolarHBondContact O-N 3.36Å; H855-Q857 VanDerWaalsContact C-N 3.34Å; H855-Q857 PolarHBondContact O-N 3.22Å; Q857-L865 HydrophobicContact CB-CD2 4.19Å; Q857-L865 HydrophobicContact CG-CD2 4.17Å
858A83.7Confident84.2Confident86 Ų8666 Ų6671%0.71132%0.324SS*.Hα-helixtrans-91.4-20.2173.700000113.4L854 H855 L856L854-A858 WeakPolarHBondContact O-CB 3.39Å; L854-A858 PolarHBondContact O-N 3.18Å; L854-A858 VanDerWaalsContact O-N 3.07Å; H855-A858 PolarHBondContact O-N 3.09Å; H855-A858 VanDerWaalsContact O-N 3.1Å; L856-A858 PolarHBondContact O-N 2.84Å
859E81.2Confident84.3Confident76 Ų7664.4 Ų64.436%0.35532%0.319SS..Hα-helixtrans-106.4-31.5-175.7-70.1175.1141.800113.8H855 L856 L897H855-E859 VanDerWaalsContact CE1-CD 3.45Å; H855-E859 IonicContact CE1-OE1 3.19Å; H855-E859 PolarHBondContact CE1-OE1 3.3Å; H855-E859 IonicContact CE1-OE2 3.32Å; H855-E859 PolarHBondContact CE1-OE2 3.3Å; H855-E859 VanDerWaalsContact CE1-OE2 3.26Å; H855-E859 IonicContact CG-OE2 2.58Å; H855-E859 IonicContact ND1-OE1 3.97Å; H855-E859 PolarHBondContact ND1-OE1 3.22Å; H855-E859 IonicContact ND1-OE2 3.94Å; H855-E859 PolarHBondContact ND1-OE2 2.73Å; H855-E859 PolarHBondContact O-N 3.13Å; H855-E859 VanDerWaalsContact O-N 3.14Å; L856-E859 PolarHBondContact O-N 3.07Å; E859-L897 HydrophobicContact CB-CD1 4.48Å
860L81.9Confident84.6Confident17 Ų1768.6 Ų68.69%0.08934%0.339CS..SBendtrans-104.4150.4-179.7-71.976.7000111.5L856 E864 L865 L868 L893L856-L860 HydrophobicContact CB-CD1 4.37Å; L856-L860 HydrophobicContact CD2-CD1 3.76Å; L856-L860 WeakPolarHBondContact O-CB 3.48Å; L856-L860 WeakPolarHBondContact O-CD1 3.46Å; L856-L860 PolarHBondContact O-N 3.02Å; L860-E864 HydrophobicContact CB-CB 4.18Å; L860-E864 HydrophobicContact CD2-CB 4.18Å; L860-E864 HydrophobicContact CG-CB 4.46Å; L860-L865 HydrophobicContact CB-CB 4.44Å; L860-L868 HydrophobicContact CD2-CB 4.39Å; L860-L868 HydrophobicContact CD2-CD1 3.79Å; L860-L893 HydrophobicContact CD1-CD2 3.75Å; L860-L893 HydrophobicContact CD2-CD2 3.91Å; L860-L893 HydrophobicContact CG-CD2 4.13Å
861Q82Confident84.9Confident131 Ų13165.9 Ų65.961%0.61233%0.327SS*.  trans-71.9158.1167.1-60.8179.374.500111.2D863 E864 L865Q861-D863 VanDerWaalsContact C-N 3.27Å; Q861-D863 PolarHBondContact O-N 3.26Å; Q861-E864 HydrophobicContact CB-CG 4.19Å; Q861-E864 WeakPolarHBondContact CB-OE2 3.26Å; Q861-E864 PolarHBondContact N-OE2 2.92Å; Q861-E864 PolarHBondContact NE2-OE1 2.95Å; Q861-E864 WeakPolarHBondContact O-CB 3.39Å; Q861-E864 PolarHBondContact O-N 2.88Å; Q861-L865 WeakPolarHBondContact O-CB 3.41Å; Q861-L865 PolarHBondContact O-N 2.65Å
862E82.5Confident85Confident142 Ų14260.6 Ų60.666%0.66431%0.305SS*.Hα-helixtrans-62-32.8-174.3-162.6164.6-167.200112.8Q866E862-Q866 VanDerWaalsContact O-CG 3.32Å; E862-Q866 WeakPolarHBondContact O-CG 3.28Å; E862-Q866 PolarHBondContact O-N 2.9Å
863D83.8Confident84.9Confident113 Ų11362.7 Ų62.760%0.60432%0.316SS*.Hα-helixtrans-71.6-35.7173.7-66.9-32.6000113Q861 Q867Q861-D863 VanDerWaalsContact C-N 3.27Å; Q861-D863 PolarHBondContact O-N 3.26Å; D863-Q867 WeakPolarHBondContact O-CG 3.47Å; D863-Q867 PolarHBondContact O-N 3.16Å; D863-Q867 VanDerWaalsContact O-N 3.15Å; D863-Q867 PolarHBondContact O-NE2 2.75Å
864E85.8Confident85.1Confident58 Ų5863.3 Ų63.327%0.27132%0.319SS..Hα-helixtrans-72.6-39.5177.5-64.1163.2171.900110.2L860 Q861 Q867 L868L860-E864 HydrophobicContact CB-CB 4.18Å; L860-E864 HydrophobicContact CD2-CB 4.18Å; L860-E864 HydrophobicContact CG-CB 4.46Å; Q861-E864 HydrophobicContact CB-CG 4.19Å; Q861-E864 WeakPolarHBondContact CB-OE2 3.26Å; Q861-E864 PolarHBondContact N-OE2 2.92Å; Q861-E864 PolarHBondContact NE2-OE1 2.95Å; Q861-E864 WeakPolarHBondContact O-CB 3.39Å; Q861-E864 PolarHBondContact O-N 2.88Å; E864-Q867 PolarHBondContact O-N 3.36Å; E864-L868 WeakPolarHBondContact O-CB 3.5Å; E864-L868 PolarHBondContact O-N 2.95Å
865L85.1Confident85.2Confident14 Ų1460.1 Ų60.17%0.07330%0.302CS..Hα-helixtrans-63.1-41.9174.4-172.363.8000111.5F853 L856 Q857 L860 Q861 L868 C869F853-L865 HydrophobicContact CE2-CD1 4.16Å; F853-L865 HydrophobicContact CE2-CD2 3.89Å; F853-L865 HydrophobicContact CE2-CG 4.31Å; F853-L865 HydrophobicContact CZ-CD2 4.21Å; L856-L865 HydrophobicContact CB-CD1 3.87Å; Q857-L865 HydrophobicContact CB-CD2 4.19Å; Q857-L865 HydrophobicContact CG-CD2 4.17Å; L860-L865 HydrophobicContact CB-CB 4.44Å; Q861-L865 WeakPolarHBondContact O-CB 3.41Å; Q861-L865 PolarHBondContact O-N 2.65Å; L865-L868 PolarHBondContact O-N 3.47Å; L865-C869 PolarHBondContact O-N 2.97Å; L865-C869 PolarHBondContact O-SG 2.72Å
866Q84.6Confident85.2Confident102 Ų10259.2 Ų59.248%0.47730%0.297SS..Hα-helixtrans-62.6-41.5172.7-77.6176.643.900112.3E862 C869 H870E862-Q866 VanDerWaalsContact O-CG 3.32Å; E862-Q866 WeakPolarHBondContact O-CG 3.28Å; E862-Q866 PolarHBondContact O-N 2.9Å; Q866-C869 PolarHBondContact O-N 3.13Å; Q866-H870 WeakPolarHBondContact O-CB 3.41Å; Q866-H870 PolarHBondContact O-N 3.24Å
867Q87.4Confident85.3Confident91 Ų9165.6 Ų65.643%0.42533%0.327SS..Hα-helixtrans-63.5-43.4175-73.716682.600111.8D863 E864 C869 H870 F871 L892D863-Q867 WeakPolarHBondContact O-CG 3.47Å; D863-Q867 PolarHBondContact O-N 3.16Å; D863-Q867 VanDerWaalsContact O-N 3.15Å; D863-Q867 PolarHBondContact O-NE2 2.75Å; E864-Q867 PolarHBondContact O-N 3.36Å; Q867-C869 VanDerWaalsContact C-N 3.35Å; Q867-C869 PolarHBondContact O-N 2.68Å; Q867-H870 WeakPolarHBondContact O-CB 3.49Å; Q867-H870 PolarHBondContact O-N 3.23Å; Q867-F871 HydrophobicContact CB-CE2 4.36Å; Q867-F871 WeakPolarHBondContact O-CD2 3.36Å; Q867-F871 WeakPolarHBondContact O-CG 3.28Å; Q867-F871 PolarHBondContact O-N 2.92Å; Q867-L892 HydrophobicContact CB-CD1 4Å; Q867-L892 HydrophobicContact CB-CD2 4.27Å
868L86.9Confident85.3Confident2 Ų265 Ų651%0.0133%0.327CS..Hα-helixtrans-60.1-43.4175-174.6152.7000111.6F495 L856 L860 E864 L865 F871 C872 L889 L892 L893F495-L868 HydrophobicContact CE1-CD2 4.46Å; F495-L868 HydrophobicContact CZ-CD2 3.98Å; L856-L868 HydrophobicContact CD1-CD2 4.18Å; L856-L868 HydrophobicContact CD2-CD1 4.17Å; L860-L868 HydrophobicContact CD2-CB 4.39Å; L860-L868 HydrophobicContact CD2-CD1 3.79Å; E864-L868 WeakPolarHBondContact O-CB 3.5Å; E864-L868 PolarHBondContact O-N 2.95Å; L865-L868 PolarHBondContact O-N 3.47Å; L868-F871 PolarHBondContact O-N 2.67Å; L868-C872 WeakPolarHBondContact O-CB 3.47Å; L868-C872 PolarHBondContact O-N 3.26Å; L868-C872 PolarHBondContact O-SG 3.13Å; L868-L889 HydrophobicContact CD1-CD1 3.73Å; L868-L889 HydrophobicContact CG-CD1 4.03Å; L868-L892 HydrophobicContact CB-CD1 4.26Å; L868-L893 HydrophobicContact CD1-CD2 4.07Å
869C86.1Confident85.4Confident13 Ų1367.2 Ų67.29%0.08832%0.323CS..Hα-helixtrans-62.6-44.1175.4-64.60000111.7A494 F495 L865 Q866 Q867 C872 L873A494-C869 PolarHBondContact O-SG 3.19Å; A494-C869 VanDerWaalsContact O-SG 3.35Å; F495-C869 VanDerWaalsContact CE2-SG 3.59Å; L865-C869 PolarHBondContact O-N 2.97Å; L865-C869 PolarHBondContact O-SG 2.72Å; Q866-C869 PolarHBondContact O-N 3.13Å; Q867-C869 VanDerWaalsContact C-N 3.35Å; Q867-C869 PolarHBondContact O-N 2.68Å; C869-C872 PolarHBondContact O-N 3.17Å; C869-L873 WeakPolarHBondContact O-CG 3.45Å; C869-L873 PolarHBondContact O-N 3.15Å
870H88.7Confident85.6Confident107 Ų10765.1 Ų65.150%0.49531%0.314SS..Hα-helixtrans-59.1-50.2176.1-176-88.2000111.9Q866 Q867 C872 L873 Q874Q866-H870 WeakPolarHBondContact O-CB 3.41Å; Q866-H870 PolarHBondContact O-N 3.24Å; Q867-H870 WeakPolarHBondContact O-CB 3.49Å; Q867-H870 PolarHBondContact O-N 3.23Å; H870-C872 VanDerWaalsContact C-N 3.31Å; H870-C872 PolarHBondContact O-N 3.47Å; H870-L873 PolarHBondContact O-N 2.97Å; H870-Q874 PolarHBondContact CE1-OE1 2.56Å; H870-Q874 PolarHBondContact ND1-OE1 3.45Å; H870-Q874 WeakPolarHBondContact O-CG 3.2Å; H870-Q874 PolarHBondContact O-N 2.85Å
871F87.9Confident85.9Confident31 Ų3168.1 Ų68.114%0.13633%0.333CS..Hα-helixtrans-62.5-36.6177-68.9-51.4000112.6Q867 L868 Q874 F875 I880 F885 E888 L892Q867-F871 HydrophobicContact CB-CE2 4.36Å; Q867-F871 WeakPolarHBondContact O-CD2 3.36Å; Q867-F871 WeakPolarHBondContact O-CG 3.28Å; Q867-F871 PolarHBondContact O-N 2.92Å; L868-F871 PolarHBondContact O-N 2.67Å; F871-Q874 PolarHBondContact O-N 3.16Å; F871-F875 WeakPolarHBondContact O-CB 3.1Å; F871-F875 PolarHBondContact O-N 3.2Å; F871-I880 HydrophobicContact CD1-CD1 3.85Å; F871-I880 HydrophobicContact CE1-CD1 4.26Å; F871-F885 HydrophobicContact CB-CD2 3.99Å; F871-F885 HydrophobicContact CB-CE2 4.01Å; F871-F885 WeakPolarHBondContact O-CD2 3.18Å; F871-E888 HydrophobicContact CD1-CB 4.3Å; F871-E888 HydrophobicContact CD1-CG 4.32Å; F871-E888 HydrophobicContact CD2-CB 4.04Å; F871-E888 HydrophobicContact CE1-CB 4.09Å; F871-E888 HydrophobicContact CE1-CG 3.8Å; F871-E888 HydrophobicContact CE2-CB 3.81Å; F871-E888 HydrophobicContact CE2-CG 4.29Å; F871-E888 HydrophobicContact CG-CB 4.28Å; F871-E888 HydrophobicContact CZ-CB 3.83Å; F871-E888 HydrophobicContact CZ-CG 3.77Å; F871-E888 WeakPolarHBondContact CZ-OE2 3.46Å; F871-L892 HydrophobicContact CD2-CD1 3.72Å; F871-L892 HydrophobicContact CE2-CD1 3.8Å; F871-L892 HydrophobicContact CE2-CG 4.4Å
872C87.5Confident86.1Confident2 Ų262.6 Ų62.61%0.01431%0.31CS..Hα-helixtrans-66-37.2176-70.30000112.4A497 L868 C869 H870 K876 F885 W909A497-C872 HydrophobicContact CB-CB 4.04Å; L868-C872 WeakPolarHBondContact O-CB 3.47Å; L868-C872 PolarHBondContact O-N 3.26Å; L868-C872 PolarHBondContact O-SG 3.13Å; C869-C872 PolarHBondContact O-N 3.17Å; H870-C872 VanDerWaalsContact C-N 3.31Å; H870-C872 PolarHBondContact O-N 3.47Å; C872-K876 PolarHBondContact O-N 3.07Å; C872-F885 HydrophobicContact CB-CE2 4.47Å; C872-W909 HydrophobicContact CB-CH2 4.02Å; C872-W909 HydrophobicContact CB-CZ3 4.25Å; C872-W909 WeakPolarHBondContact O-CH2 3Å
873L85.8Confident86.3Confident54 Ų5457.1 Ų57.128%0.28329%0.292SS..Hα-helixtrans-65.9-50.4173.4-71.6169000111.3P496 C869 H870 F875 K876 E877P496-L873 HydrophobicContact CB-CD2 3.81Å; P496-L873 HydrophobicContact CG-CD2 3.83Å; C869-L873 WeakPolarHBondContact O-CG 3.45Å; C869-L873 PolarHBondContact O-N 3.15Å; H870-L873 PolarHBondContact O-N 2.97Å; L873-F875 VanDerWaalsContact C-N 3.27Å; L873-F875 PolarHBondContact O-N 3Å; L873-K876 PolarHBondContact O-N 2.87Å; L873-K876 VanDerWaalsContact O-N 3.08Å; L873-E877 PolarHBondContact O-N 3.45Å
874Q87.9Confident86.5Confident38 Ų3855.8 Ų55.818%0.17828%0.284CS..Hα-helixtrans-61-33.5179-69.2-165.2-73.400113.1H870 F871 N878 E879 I880H870-Q874 PolarHBondContact CE1-OE1 2.56Å; H870-Q874 PolarHBondContact ND1-OE1 3.45Å; H870-Q874 WeakPolarHBondContact O-CG 3.2Å; H870-Q874 PolarHBondContact O-N 2.85Å; F871-Q874 PolarHBondContact O-N 3.16Å; Q874-N878 PolarHBondContact O-N 3.09Å; Q874-N878 VanDerWaalsContact O-N 3.12Å; Q874-E879 HydrophobicContact CB-CB 4.22Å; Q874-E879 PolarHBondContact NE2-OE2 3.16Å; Q874-E879 PolarHBondContact O-N 2.89Å; Q874-I880 HydrophobicContact CB-CB 4.3Å; Q874-I880 HydrophobicContact CB-CD1 3.79Å; Q874-I880 HydrophobicContact CB-CG1 3.94Å; Q874-I880 HydrophobicContact CG-CD1 4.37Å; Q874-I880 PolarHBondContact O-N 3.39Å
875F87.9Confident86.7Confident3 Ų353.1 Ų53.11%0.01327%0.272CS..Hα-helixtrans-72.1-40.7172.7-175.4-116.6000112.5F871 L873 E877 N878 A882 F885 W909 Q914 L918F871-F875 WeakPolarHBondContact O-CB 3.1Å; F871-F875 PolarHBondContact O-N 3.2Å; L873-F875 VanDerWaalsContact C-N 3.27Å; L873-F875 PolarHBondContact O-N 3Å; F875-E877 VanDerWaalsContact C-N 3.33Å; F875-E877 PolarHBondContact O-N 2.92Å; F875-N878 PolarHBondContact O-N 2.8Å; F875-N878 VanDerWaalsContact O-N 3.11Å; F875-A882 HydrophobicContact CE2-CB 3.76Å; F875-A882 HydrophobicContact CZ-CB 4.03Å; F875-F885 HydrophobicContact CB-CB 4.25Å; F875-F885 HydrophobicContact CB-CD2 3.67Å; F875-F885 HydrophobicContact CB-CE2 4.18Å; F875-F885 HydrophobicContact CB-CG 3.92Å; F875-F885 HydrophobicContact CD1-CD1 4.33Å; F875-F885 HydrophobicContact CD1-CG 4.4Å; F875-F885 HydrophobicContact CD2-CB 4.11Å; F875-F885 HydrophobicContact CD2-CG 4.37Å; F875-F885 HydrophobicContact CG-CB 4.19Å; F875-F885 HydrophobicContact CG-CD1 4.33Å; F875-F885 HydrophobicContact CG-CD2 4.21Å; F875-F885 AromaticContact CG-CG 3.97Å; F875-F885 HydrophobicContact CG-CG 3.97Å; F875-W909 AromaticContact CD1-CH2 3.86Å; F875-W909 HydrophobicContact CD1-CH2 3.86Å; F875-W909 AromaticContact CD1-CZ2 3.53Å; F875-W909 HydrophobicContact CD1-CZ2 3.53Å; F875-W909 HydrophobicContact CE1-CZ2 4.17Å; F875-Q914 HydrophobicContact CE1-CB 3.78Å; F875-Q914 HydrophobicContact CE1-CG 3.95Å; F875-Q914 HydrophobicContact CZ-CB 4.06Å; F875-Q914 HydrophobicContact CZ-CG 3.99Å; F875-Q914 PolarHBondContact O-NE2 3.38Å; F875-L918 HydrophobicContact CD1-CD1 4.23Å; F875-L918 HydrophobicContact CD1-CD2 4.38Å; F875-L918 HydrophobicContact CD1-CG 4.48Å; F875-L918 HydrophobicContact CE1-CD1 3.55Å; F875-L918 HydrophobicContact CE1-CD2 3.74Å; F875-L918 HydrophobicContact CE1-CG 3.54Å; F875-L918 HydrophobicContact CE2-CD2 4.37Å; F875-L918 HydrophobicContact CZ-CD1 4.25Å; F875-L918 HydrophobicContact CZ-CD2 3.73Å; F875-L918 HydrophobicContact CZ-CG 3.71Å
876K84.8Confident86.8Confident58 Ų5852.6 Ų52.625%0.25227%0.269SS..Hα-helixtrans-60.7-41.9173.8179.7168.9175.9-177.10111.9P496 G499 C872 L873 N878 W909 Q914P496-K876 PolarHBondContact O-NZ 3.2Å; G499-K876 PolarHBondContact O-NZ 3.45Å; C872-K876 PolarHBondContact O-N 3.07Å; L873-K876 PolarHBondContact O-N 2.87Å; L873-K876 VanDerWaalsContact O-N 3.08Å; K876-N878 PolarHBondContact O-N 3.38Å; K876-N878 PolarHBondContact O-ND2 3.26Å; K876-N878 VanDerWaalsContact O-ND2 3.1Å; K876-W909 HydrophobicContact CB-CZ2 4.23Å; K876-Q914 PolarHBondContact O-NE2 3Å
877E86.3Confident86.9Confident136 Ų13651.2 Ų51.264%0.63627%0.271SS*.Hα-helixtrans-75.7-9177.8-65.3-173.4164.700113.2L873 F875 E879L873-E877 PolarHBondContact O-N 3.45Å; F875-E877 VanDerWaalsContact C-N 3.33Å; F875-E877 PolarHBondContact O-N 2.92Å; E877-E879 HydrophobicContact CB-CG 4.44Å
878N82.7Confident86.9Confident91 Ų9150.6 Ų50.649%0.48727%0.268SS..THydrogen-bonded Turntrans66.626.6-177.9-48.6-104.3000114.2Q874 F875 K876 Q914 R917Q874-N878 PolarHBondContact O-N 3.09Å; Q874-N878 VanDerWaalsContact O-N 3.12Å; F875-N878 PolarHBondContact O-N 2.8Å; F875-N878 VanDerWaalsContact O-N 3.11Å; K876-N878 PolarHBondContact O-N 3.38Å; K876-N878 PolarHBondContact O-ND2 3.26Å; K876-N878 VanDerWaalsContact O-ND2 3.1Å; N878-Q914 PolarHBondContact OD1-NE2 3.2Å; N878-R917 PolarHBondContact OD1-NH1 3.43Å; N878-R917 VanDerWaalsContact OD1-NH1 3.14Å
879E87Confident86.9Confident132 Ų13250.6 Ų50.662%0.61727%0.268SS*.SBendtrans-71.5-34.8169.9-62.4-156.9133.200112.3Q874 E877Q874-E879 HydrophobicContact CB-CB 4.22Å; Q874-E879 PolarHBondContact NE2-OE2 3.16Å; Q874-E879 PolarHBondContact O-N 2.89Å; E877-E879 HydrophobicContact CB-CG 4.44Å
880I85.7Confident86.9Confident32 Ų3251.4 Ų51.416%0.16427%0.271CS..SBendtrans-110.5141.9-177-73.7-174.9000109.5F871 Q874 D884 F885F871-I880 HydrophobicContact CD1-CD1 3.85Å; F871-I880 HydrophobicContact CE1-CD1 4.26Å; Q874-I880 HydrophobicContact CB-CB 4.3Å; Q874-I880 HydrophobicContact CB-CD1 3.79Å; Q874-I880 HydrophobicContact CB-CG1 3.94Å; Q874-I880 HydrophobicContact CG-CD1 4.37Å; Q874-I880 PolarHBondContact O-N 3.39Å; I880-D884 HydrophobicContact CG2-CB 3.75Å; I880-F885 HydrophobicContact CG2-CB 3.85Å
881T88.6Confident86.8Confident81 Ų8155.6 Ų55.650%0.49728%0.284SS..  trans-78.7159.9178.683.80000111.6G883 D884 F885T881-G883 PolarHBondContact O-N 2.87Å; T881-G883 VanDerWaalsContact O-N 3.16Å; T881-G883 PolarHBondContact OG1-N 2.92Å; T881-D884 VanDerWaalsContact CB-OD2 3.23Å; T881-D884 WeakPolarHBondContact CB-OD2 3.01Å; T881-D884 VanDerWaalsContact CG2-OD2 3.25Å; T881-D884 WeakPolarHBondContact CG2-OD2 3.34Å; T881-D884 PolarHBondContact N-OD2 3.45Å; T881-D884 PolarHBondContact O-N 3.14Å; T881-D884 VanDerWaalsContact OG1-CG 3.23Å; T881-D884 PolarHBondContact OG1-N 3.34Å; T881-D884 PolarHBondContact OG1-OD2 2.96Å; T881-F885 WeakPolarHBondContact O-CB 3.35Å; T881-F885 PolarHBondContact O-N 2.98Å
882A85.7Confident86.6Confident15 Ų1555.5 Ų55.512%0.12429%0.285CS..Hα-helixtrans-61-23.7176.800000113.4F875 F886 R917 L918 V921F875-A882 HydrophobicContact CE2-CB 3.76Å; F875-A882 HydrophobicContact CZ-CB 4.03Å; A882-F886 VanDerWaalsContact O-CB 3.25Å; A882-F886 WeakPolarHBondContact O-CB 3.45Å; A882-F886 PolarHBondContact O-N 2.87Å; A882-R917 HydrophobicContact CB-CB 3.99Å; A882-L918 HydrophobicContact CB-CD2 4.19Å; A882-V921 HydrophobicContact CB-CG2 3.89Å
883G86Confident86.4Confident27 Ų2756 Ų5628%0.27829%0.287SS..Hα-helixtrans-74.7-48.7174.300000111.8T881 F886 S887T881-G883 PolarHBondContact O-N 2.87Å; T881-G883 VanDerWaalsContact O-N 3.16Å; T881-G883 PolarHBondContact OG1-N 2.92Å; G883-F886 WeakPolarHBondContact O-CB 3.35Å; G883-F886 PolarHBondContact O-N 3.25Å; G883-S887 PolarHBondContact O-N 2.97Å; G883-S887 PolarHBondContact O-OG 2.66Å
884D88.5Confident86Confident85 Ų8555 Ų5546%0.45529%0.29SS..Hα-helixtrans-64.4-47179.7-50.5-51.3000110.9I880 T881 F886 S887 E888I880-D884 HydrophobicContact CG2-CB 3.75Å; T881-D884 VanDerWaalsContact CB-OD2 3.23Å; T881-D884 WeakPolarHBondContact CB-OD2 3.01Å; T881-D884 VanDerWaalsContact CG2-OD2 3.25Å; T881-D884 WeakPolarHBondContact CG2-OD2 3.34Å; T881-D884 PolarHBondContact N-OD2 3.45Å; T881-D884 PolarHBondContact O-N 3.14Å; T881-D884 VanDerWaalsContact OG1-CG 3.23Å; T881-D884 PolarHBondContact OG1-N 3.34Å; T881-D884 PolarHBondContact OG1-OD2 2.96Å; D884-F886 VanDerWaalsContact C-N 3.29Å; D884-F886 PolarHBondContact O-N 2.82Å; D884-S887 PolarHBondContact O-N 3.4Å; D884-S887 VanDerWaalsContact O-N 3.09Å; D884-E888 WeakPolarHBondContact O-CG 3Å; D884-E888 PolarHBondContact O-N 3.31Å
885F89.1Confident85.4Confident1 Ų158.9 Ų58.90%0.00431%0.308CS..Hα-helixtrans-58.2-40.2175.7175.1-95.5000112.3F871 C872 F875 I880 T881 L889 L905 W909 L918F871-F885 HydrophobicContact CB-CD2 3.99Å; F871-F885 HydrophobicContact CB-CE2 4.01Å; F871-F885 WeakPolarHBondContact O-CD2 3.18Å; C872-F885 HydrophobicContact CB-CE2 4.47Å; F875-F885 HydrophobicContact CB-CB 4.25Å; F875-F885 HydrophobicContact CB-CD2 3.67Å; F875-F885 HydrophobicContact CB-CE2 4.18Å; F875-F885 HydrophobicContact CB-CG 3.92Å; F875-F885 HydrophobicContact CD1-CD1 4.33Å; F875-F885 HydrophobicContact CD1-CG 4.4Å; F875-F885 HydrophobicContact CD2-CB 4.11Å; F875-F885 HydrophobicContact CD2-CG 4.37Å; F875-F885 HydrophobicContact CG-CB 4.19Å; F875-F885 HydrophobicContact CG-CD1 4.33Å; F875-F885 HydrophobicContact CG-CD2 4.21Å; F875-F885 AromaticContact CG-CG 3.97Å; F875-F885 HydrophobicContact CG-CG 3.97Å; I880-F885 HydrophobicContact CG2-CB 3.85Å; T881-F885 WeakPolarHBondContact O-CB 3.35Å; T881-F885 PolarHBondContact O-N 2.98Å; F885-L889 HydrophobicContact CE1-CD2 3.82Å; F885-L889 HydrophobicContact CZ-CD2 3.98Å; F885-L889 WeakPolarHBondContact O-CB 3.34Å; F885-L889 PolarHBondContact O-N 3.35Å; F885-L905 HydrophobicContact CE1-CD2 4.4Å; F885-L905 HydrophobicContact CZ-CD2 4.17Å; F885-W909 HydrophobicContact CZ-CZ3 4.35Å; F885-L918 HydrophobicContact CD1-CD2 3.54Å; F885-L918 HydrophobicContact CE1-CD1 4.28Å; F885-L918 HydrophobicContact CE1-CD2 4.01Å
886F88Confident84.6Confident4 Ų468.2 Ų68.22%0.01835%0.348CS..Hα-helixtrans-63.9-42.3175.6-174.6-82.5000111.6A882 G883 D884 L890 F898 F902 V921 Y922 H925A882-F886 VanDerWaalsContact O-CB 3.25Å; A882-F886 WeakPolarHBondContact O-CB 3.45Å; A882-F886 PolarHBondContact O-N 2.87Å; G883-F886 WeakPolarHBondContact O-CB 3.35Å; G883-F886 PolarHBondContact O-N 3.25Å; D884-F886 VanDerWaalsContact C-N 3.29Å; D884-F886 PolarHBondContact O-N 2.82Å; F886-L890 HydrophobicContact CE1-CD2 4.22Å; F886-L890 WeakPolarHBondContact O-CB 3.14Å; F886-L890 PolarHBondContact O-N 2.74Å; F886-F898 AromaticContact CD2-CZ 3.79Å; F886-F898 HydrophobicContact CD2-CZ 3.79Å; F886-F898 HydrophobicContact CE1-CE1 4.48Å; F886-F898 HydrophobicContact CE1-CZ 4.22Å; F886-F898 AromaticContact CE2-CE1 3.73Å; F886-F898 HydrophobicContact CE2-CE1 3.73Å; F886-F898 AromaticContact CE2-CZ 3.39Å; F886-F898 HydrophobicContact CE2-CZ 3.39Å; F886-F898 HydrophobicContact CG-CZ 4.36Å; F886-F898 AromaticContact CZ-CE1 3.67Å; F886-F898 HydrophobicContact CZ-CE1 3.67Å; F886-F898 AromaticContact CZ-CZ 3.62Å; F886-F898 HydrophobicContact CZ-CZ 3.62Å; F886-F902 AromaticContact CD2-CE2 3.89Å; F886-F902 HydrophobicContact CD2-CE2 3.89Å; F886-F902 AromaticContact CD2-CZ 3.95Å; F886-F902 HydrophobicContact CD2-CZ 3.95Å; F886-F902 HydrophobicContact CE2-CE1 4.32Å; F886-F902 HydrophobicContact CE2-CE2 4.15Å; F886-F902 AromaticContact CE2-CZ 3.95Å; F886-F902 HydrophobicContact CE2-CZ 3.95Å; F886-V921 HydrophobicContact CB-CG1 3.66Å; F886-V921 HydrophobicContact CD1-CG1 4.15Å; F886-V921 HydrophobicContact CD2-CG1 3.91Å; F886-V921 HydrophobicContact CG-CG1 3.65Å; F886-Y922 AromaticContact CE2-CD2 3.8Å; F886-Y922 HydrophobicContact CE2-CD2 3.8Å; F886-Y922 HydrophobicContact CE2-CG 4.31Å; F886-Y922 HydrophobicContact CZ-CD2 4.03Å; F886-H925 HydrophobicContact CE1-CB 3.82Å; F886-H925 AromaticContact CE1-CD2 3.71Å; F886-H925 AromaticContact CE1-CG 3.61Å; F886-H925 HydrophobicContact CZ-CB 3.83Å; F886-H925 AromaticContact CZ-CG 3.88Å
887S86.5Confident84.2Confident73 Ų7368.5 Ų68.551%0.5135%0.353SS..Hα-helixtrans-66.9-45.1178.4-63.70000112.9G883 D884 L890 Y891G883-S887 PolarHBondContact O-N 2.97Å; G883-S887 PolarHBondContact O-OG 2.66Å; D884-S887 PolarHBondContact O-N 3.4Å; D884-S887 VanDerWaalsContact O-N 3.09Å; S887-L890 PolarHBondContact O-N 3.25Å; S887-Y891 WeakPolarHBondContact O-CB 3.18Å; S887-Y891 PolarHBondContact O-N 3.46Å
888E87.3Confident84.1Confident78 Ų7862 Ų6236%0.36432%0.322SS..Hα-helixtrans-64.6-42.7176.3-64.9-65.2166.500111.4F871 D884 L890 Y891 L892F871-E888 HydrophobicContact CD1-CB 4.3Å; F871-E888 HydrophobicContact CD1-CG 4.32Å; F871-E888 HydrophobicContact CD2-CB 4.04Å; F871-E888 HydrophobicContact CE1-CB 4.09Å; F871-E888 HydrophobicContact CE1-CG 3.8Å; F871-E888 HydrophobicContact CE2-CB 3.81Å; F871-E888 HydrophobicContact CE2-CG 4.29Å; F871-E888 HydrophobicContact CG-CB 4.28Å; F871-E888 HydrophobicContact CZ-CB 3.83Å; F871-E888 HydrophobicContact CZ-CG 3.77Å; F871-E888 WeakPolarHBondContact CZ-OE2 3.46Å; D884-E888 WeakPolarHBondContact O-CG 3Å; D884-E888 PolarHBondContact O-N 3.31Å; E888-L890 PolarHBondContact O-N 3.33Å; E888-Y891 PolarHBondContact O-N 2.88Å; E888-L892 WeakPolarHBondContact O-CG 3.41Å; E888-L892 PolarHBondContact O-N 2.76Å
889L87.3Confident83.7Confident2 Ų259.9 Ų59.91%0.0131%0.309CS..Hα-helixtrans-67.3-36.1177.8-17465.7000112.5L868 F885 L893 F898 F902 L905L868-L889 HydrophobicContact CD1-CD1 3.73Å; L868-L889 HydrophobicContact CG-CD1 4.03Å; F885-L889 HydrophobicContact CE1-CD2 3.82Å; F885-L889 HydrophobicContact CZ-CD2 3.98Å; F885-L889 WeakPolarHBondContact O-CB 3.34Å; F885-L889 PolarHBondContact O-N 3.35Å; L889-L893 HydrophobicContact CD1-CD1 3.68Å; L889-L893 HydrophobicContact CD1-CG 4.08Å; L889-L893 HydrophobicContact CG-CD1 3.92Å; L889-L893 WeakPolarHBondContact O-CB 3.47Å; L889-L893 WeakPolarHBondContact O-CG 3.49Å; L889-L893 PolarHBondContact O-N 2.9Å; L889-L893 VanDerWaalsContact O-N 3.1Å; L889-F898 HydrophobicContact CB-CE2 4.11Å; L889-F898 HydrophobicContact CD2-CE2 3.93Å; L889-F898 HydrophobicContact CG-CD2 4.16Å; L889-F898 HydrophobicContact CG-CE2 3.84Å; L889-F902 HydrophobicContact CD2-CD2 3.93Å; L889-L905 HydrophobicContact CD2-CD2 3.63Å
890L86.4Confident83.2Confident30 Ų3055.6 Ų55.616%0.15730%0.3CS..Hα-helixtrans-68.3-36.6173.2-177.463.6000111.7F886 S887 E888 G894 E895 F898F886-L890 HydrophobicContact CE1-CD2 4.22Å; F886-L890 WeakPolarHBondContact O-CB 3.14Å; F886-L890 PolarHBondContact O-N 2.74Å; S887-L890 PolarHBondContact O-N 3.25Å; E888-L890 PolarHBondContact O-N 3.33Å; L890-G894 WeakPolarHBondContact O-CA 3.3Å; L890-G894 PolarHBondContact O-N 3Å; L890-E895 HydrophobicContact CD1-CG 4.25Å; L890-F898 HydrophobicContact CB-CD2 4Å; L890-F898 HydrophobicContact CB-CE2 4.04Å; L890-F898 HydrophobicContact CD1-CB 3.82Å; L890-F898 HydrophobicContact CD1-CD1 3.88Å; L890-F898 HydrophobicContact CD1-CD2 3.91Å; L890-F898 HydrophobicContact CD1-CE1 4.47Å; L890-F898 HydrophobicContact CD1-CE2 4.47Å; L890-F898 HydrophobicContact CD1-CG 3.58Å
891Y85.6Confident83.2Confident194 Ų19454.2 Ų54.276%0.76129%0.293SS*.Hα-helixtrans-68.5-43.5175.9-177.1-104.5000112.4S887 E888S887-Y891 WeakPolarHBondContact O-CB 3.18Å; S887-Y891 PolarHBondContact O-N 3.46Å; E888-Y891 PolarHBondContact O-N 2.88Å
892L84.5Confident83.1Confident30 Ų3050.5 Ų50.516%0.15727%0.27CS..Hα-helixtrans-66.7-46177.7-75.2179.9000113.3Q867 L868 F871 E888Q867-L892 HydrophobicContact CB-CD1 4Å; Q867-L892 HydrophobicContact CB-CD2 4.27Å; L868-L892 HydrophobicContact CB-CD1 4.26Å; F871-L892 HydrophobicContact CD2-CD1 3.72Å; F871-L892 HydrophobicContact CE2-CD1 3.8Å; F871-L892 HydrophobicContact CE2-CG 4.4Å; E888-L892 WeakPolarHBondContact O-CG 3.41Å; E888-L892 PolarHBondContact O-N 2.76Å
893L81.9Confident83.1Confident12 Ų1251.7 Ų51.76%0.06327%0.272CS..Hα-helixtrans-85-25.9-173.9-63.3179.2000113.3L860 L868 L889 L897 F898 I901L860-L893 HydrophobicContact CD1-CD2 3.75Å; L860-L893 HydrophobicContact CD2-CD2 3.91Å; L860-L893 HydrophobicContact CG-CD2 4.13Å; L868-L893 HydrophobicContact CD1-CD2 4.07Å; L889-L893 HydrophobicContact CD1-CD1 3.68Å; L889-L893 HydrophobicContact CD1-CG 4.08Å; L889-L893 HydrophobicContact CG-CD1 3.92Å; L889-L893 WeakPolarHBondContact O-CB 3.47Å; L889-L893 WeakPolarHBondContact O-CG 3.49Å; L889-L893 PolarHBondContact O-N 2.9Å; L889-L893 VanDerWaalsContact O-N 3.1Å; L893-L897 HydrophobicContact CB-CB 4.33Å; L893-F898 HydrophobicContact CB-CB 4.25Å; L893-F898 HydrophobicContact CD1-CD2 4.18Å; L893-I901 HydrophobicContact CD1-CB 3.92Å; L893-I901 HydrophobicContact CD1-CD1 3.99Å; L893-I901 HydrophobicContact CD1-CG2 3.65Å; L893-I901 HydrophobicContact CD2-CD1 3.75Å; L893-I901 HydrophobicContact CG-CD1 4.42Å
894G79.2Confident83.1Confident33 Ų3354.6 Ų54.634%0.3428%0.277SS..Hα-helixtrans67155.8-164.400000112.7L890 K896 L897 F898L890-G894 WeakPolarHBondContact O-CA 3.3Å; L890-G894 PolarHBondContact O-N 3Å; G894-K896 VanDerWaalsContact C-N 3.26Å; G894-K896 PolarHBondContact O-N 2.71Å; G894-K896 VanDerWaalsContact O-N 3.1Å; G894-L897 PolarHBondContact O-N 3.05Å; G894-F898 VanDerWaalsContact O-CB 3.23Å; G894-F898 WeakPolarHBondContact O-CB 3.34Å; G894-F898 PolarHBondContact O-N 3.27Å
895E74.1Confident83.1Confident119 Ų11950.6 Ų50.656%0.55626%0.256SS*.Hα-helixtrans-53-39.8-170.3-60.1177.8161.900113.7L890 F899L890-E895 HydrophobicContact CD1-CG 4.25Å; E895-F899 HydrophobicContact CB-CE2 4.49Å; E895-F899 WeakPolarHBondContact O-CD2 3.48Å; E895-F899 PolarHBondContact O-N 3.38Å
896K71.2Confident83.1Confident199 Ų19950.6 Ų50.687%0.86526%0.256SS*.Hα-helixtrans-66.5-48.4-175.5-65.3-167.6175.8-166.40113.5G894G894-K896 VanDerWaalsContact C-N 3.26Å; G894-K896 PolarHBondContact O-N 2.71Å; G894-K896 VanDerWaalsContact O-N 3.1Å
897L76.9Confident83.1Confident65 Ų6551 Ų5134%0.3426%0.259SS..Hα-helixtrans-76.8-33.4179-59178.7000110.7E859 L893 G894 F899 G900 I901E859-L897 HydrophobicContact CB-CD1 4.48Å; L893-L897 HydrophobicContact CB-CB 4.33Å; G894-L897 PolarHBondContact O-N 3.05Å; L897-F899 PolarHBondContact O-N 2.97Å; L897-G900 PolarHBondContact O-N 3.24Å; L897-G900 VanDerWaalsContact O-N 3.16Å; L897-I901 HydrophobicContact CB-CD1 3.84Å; L897-I901 WeakPolarHBondContact O-CB 3.39Å; L897-I901 WeakPolarHBondContact O-CG1 3.29Å; L897-I901 PolarHBondContact O-N 2.85Å
898F83.4Confident83.1Confident0 Ų048 Ų480%024%0.237CC..Hα-helixtrans-52.3-49.2-179.9-175.7-90.1000112.9F886 L889 L890 L893 G894 G900 I901 F902 Y922F886-F898 AromaticContact CD2-CZ 3.79Å; F886-F898 HydrophobicContact CD2-CZ 3.79Å; F886-F898 HydrophobicContact CE1-CE1 4.48Å; F886-F898 HydrophobicContact CE1-CZ 4.22Å; F886-F898 AromaticContact CE2-CE1 3.73Å; F886-F898 HydrophobicContact CE2-CE1 3.73Å; F886-F898 AromaticContact CE2-CZ 3.39Å; F886-F898 HydrophobicContact CE2-CZ 3.39Å; F886-F898 HydrophobicContact CG-CZ 4.36Å; F886-F898 AromaticContact CZ-CE1 3.67Å; F886-F898 HydrophobicContact CZ-CE1 3.67Å; F886-F898 AromaticContact CZ-CZ 3.62Å; F886-F898 HydrophobicContact CZ-CZ 3.62Å; L889-F898 HydrophobicContact CB-CE2 4.11Å; L889-F898 HydrophobicContact CD2-CE2 3.93Å; L889-F898 HydrophobicContact CG-CD2 4.16Å; L889-F898 HydrophobicContact CG-CE2 3.84Å; L890-F898 HydrophobicContact CB-CD2 4Å; L890-F898 HydrophobicContact CB-CE2 4.04Å; L890-F898 HydrophobicContact CD1-CB 3.82Å; L890-F898 HydrophobicContact CD1-CD1 3.88Å; L890-F898 HydrophobicContact CD1-CD2 3.91Å; L890-F898 HydrophobicContact CD1-CE1 4.47Å; L890-F898 HydrophobicContact CD1-CE2 4.47Å; L890-F898 HydrophobicContact CD1-CG 3.58Å; L893-F898 HydrophobicContact CB-CB 4.25Å; L893-F898 HydrophobicContact CD1-CD2 4.18Å; G894-F898 VanDerWaalsContact O-CB 3.23Å; G894-F898 WeakPolarHBondContact O-CB 3.34Å; G894-F898 PolarHBondContact O-N 3.27Å; F898-G900 VanDerWaalsContact C-N 3.3Å; F898-G900 PolarHBondContact O-N 3.42Å; F898-I901 PolarHBondContact O-N 3.4Å; F898-F902 HydrophobicContact CD1-CB 4.12Å; F898-F902 HydrophobicContact CD2-CB 4.45Å; F898-F902 HydrophobicContact CE1-CB 3.78Å; F898-F902 HydrophobicContact CE1-CD1 4.2Å; F898-F902 HydrophobicContact CE1-CD2 4.12Å; F898-F902 AromaticContact CE1-CG 3.78Å; F898-F902 HydrophobicContact CE1-CG 3.78Å; F898-F902 HydrophobicContact CE2-CB 4.17Å; F898-F902 AromaticContact CE2-CD2 3.89Å; F898-F902 HydrophobicContact CE2-CD2 3.89Å; F898-F902 HydrophobicContact CE2-CG 4.23Å; F898-F902 HydrophobicContact CG-CB 4.43Å; F898-F902 HydrophobicContact CZ-CB 3.81Å; F898-F902 HydrophobicContact CZ-CD1 4.27Å; F898-F902 AromaticContact CZ-CD2 3.42Å; F898-F902 HydrophobicContact CZ-CD2 3.42Å; F898-F902 VanDerWaalsContact CZ-CD2 3.42Å; F898-F902 HydrophobicContact CZ-CE2 4Å; F898-F902 AromaticContact CZ-CG 3.56Å; F898-F902 HydrophobicContact CZ-CG 3.56Å; F898-F902 WeakPolarHBondContact O-CB 3.33Å; F898-F902 PolarHBondContact O-N 3.19Å; F898-Y922 HydrophobicContact CE1-CD2 4.42Å
899F75.5Confident83.1Confident45 Ų4544.3 Ų44.320%0.19722%0.22CC..Hα-helixtrans-65.7-29-177.3-67.3-62.3000114.2E895 L897 K903 Y922 L937E895-F899 HydrophobicContact CB-CE2 4.49Å; E895-F899 WeakPolarHBondContact O-CD2 3.48Å; E895-F899 PolarHBondContact O-N 3.38Å; L897-F899 PolarHBondContact O-N 2.97Å; F899-K903 WeakPolarHBondContact O-CG 3.49Å; F899-Y922 AromaticContact CD1-CE2 3.93Å; F899-Y922 HydrophobicContact CD1-CE2 3.93Å; F899-Y922 AromaticContact CE1-CE2 3.85Å; F899-Y922 HydrophobicContact CE1-CE2 3.85Å; F899-L937 HydrophobicContact CD1-CD2 4.49Å; F899-L937 HydrophobicContact CE1-CD2 3.72Å; F899-L937 HydrophobicContact CE1-CG 4.4Å; F899-L937 HydrophobicContact CE2-CG 4.44Å; F899-L937 HydrophobicContact CZ-CD1 4.09Å; F899-L937 HydrophobicContact CZ-CD2 3.73Å; F899-L937 HydrophobicContact CZ-CG 3.9Å
900G76.3Confident82.9Confident42 Ų4245.6 Ų45.643%0.43323%0.227SC..Hα-helixtrans-80.4-37.917500000113.3L897 F898L897-G900 PolarHBondContact O-N 3.24Å; L897-G900 VanDerWaalsContact O-N 3.16Å; F898-G900 VanDerWaalsContact C-N 3.3Å; F898-G900 PolarHBondContact O-N 3.42Å
901I84.3Confident82.8Confident4 Ų446.3 Ų46.32%0.02123%0.231CC..Hα-helixtrans-81.1-46.4-176.4-68.4168.5000111.6F852 L856 L893 L897 F898 K903 K904 L905F852-I901 HydrophobicContact CE2-CG2 3.92Å; F852-I901 HydrophobicContact CZ-CG2 3.88Å; L856-I901 HydrophobicContact CD2-CD1 3.9Å; L856-I901 HydrophobicContact CD2-CG1 4.32Å; L856-I901 HydrophobicContact CD2-CG2 3.78Å; L893-I901 HydrophobicContact CD1-CB 3.92Å; L893-I901 HydrophobicContact CD1-CD1 3.99Å; L893-I901 HydrophobicContact CD1-CG2 3.65Å; L893-I901 HydrophobicContact CD2-CD1 3.75Å; L893-I901 HydrophobicContact CG-CD1 4.42Å; L897-I901 HydrophobicContact CB-CD1 3.84Å; L897-I901 WeakPolarHBondContact O-CB 3.39Å; L897-I901 WeakPolarHBondContact O-CG1 3.29Å; L897-I901 PolarHBondContact O-N 2.85Å; F898-I901 PolarHBondContact O-N 3.4Å; I901-K903 VanDerWaalsContact C-N 3.33Å; I901-K903 PolarHBondContact O-N 2.89Å; I901-K904 PolarHBondContact O-N 3.12Å; I901-K904 VanDerWaalsContact O-N 3.13Å; I901-L905 WeakPolarHBondContact O-CB 3.42Å; I901-L905 PolarHBondContact O-N 3.32Å
902F86.7Confident82.8Confident2 Ų237.5 Ų37.51%0.00920%0.197CC..Hα-helixtrans-60.1-40.6-175-178.9-99000112.2F886 L889 F898 K904 L905 L906 L918 Y922F886-F902 AromaticContact CD2-CE2 3.89Å; F886-F902 HydrophobicContact CD2-CE2 3.89Å; F886-F902 AromaticContact CD2-CZ 3.95Å; F886-F902 HydrophobicContact CD2-CZ 3.95Å; F886-F902 HydrophobicContact CE2-CE1 4.32Å; F886-F902 HydrophobicContact CE2-CE2 4.15Å; F886-F902 AromaticContact CE2-CZ 3.95Å; F886-F902 HydrophobicContact CE2-CZ 3.95Å; L889-F902 HydrophobicContact CD2-CD2 3.93Å; F898-F902 HydrophobicContact CD1-CB 4.12Å; F898-F902 HydrophobicContact CD2-CB 4.45Å; F898-F902 HydrophobicContact CE1-CB 3.78Å; F898-F902 HydrophobicContact CE1-CD1 4.2Å; F898-F902 HydrophobicContact CE1-CD2 4.12Å; F898-F902 AromaticContact CE1-CG 3.78Å; F898-F902 HydrophobicContact CE1-CG 3.78Å; F898-F902 HydrophobicContact CE2-CB 4.17Å; F898-F902 AromaticContact CE2-CD2 3.89Å; F898-F902 HydrophobicContact CE2-CD2 3.89Å; F898-F902 HydrophobicContact CE2-CG 4.23Å; F898-F902 HydrophobicContact CG-CB 4.43Å; F898-F902 HydrophobicContact CZ-CB 3.81Å; F898-F902 HydrophobicContact CZ-CD1 4.27Å; F898-F902 AromaticContact CZ-CD2 3.42Å; F898-F902 HydrophobicContact CZ-CD2 3.42Å; F898-F902 VanDerWaalsContact CZ-CD2 3.42Å; F898-F902 HydrophobicContact CZ-CE2 4Å; F898-F902 AromaticContact CZ-CG 3.56Å; F898-F902 HydrophobicContact CZ-CG 3.56Å; F898-F902 WeakPolarHBondContact O-CB 3.33Å; F898-F902 PolarHBondContact O-N 3.19Å; F902-K904 PolarHBondContact O-N 3.21Å; F902-L905 PolarHBondContact O-N 3.14Å; F902-L906 HydrophobicContact CE1-CD2 4.02Å; F902-L906 HydrophobicContact CZ-CD2 4.46Å; F902-L906 WeakPolarHBondContact O-CB 3.47Å; F902-L906 PolarHBondContact O-N 2.82Å; F902-L918 HydrophobicContact CZ-CB 4.13Å; F902-Y922 AromaticContact CD1-CD2 3.97Å; F902-Y922 HydrophobicContact CD1-CD2 3.97Å; F902-Y922 HydrophobicContact CD1-CE2 4.35Å; F902-Y922 HydrophobicContact CD1-CG 4.26Å; F902-Y922 HydrophobicContact CE1-CD1 4.37Å; F902-Y922 AromaticContact CE1-CD2 3.77Å; F902-Y922 HydrophobicContact CE1-CD2 3.77Å; F902-Y922 AromaticContact CE1-CG 3.66Å; F902-Y922 HydrophobicContact CE1-CG 3.66Å; F902-Y922 HydrophobicContact CZ-CG 4.48Å
903K86.1Confident82.8Confident40 Ų4040.4 Ų40.417%0.17421%0.209CC..Hα-helixtrans-61.3-43.3176.7-63.5-173174-176.90111.5F899 I901 C907 D942 W943 K945 I947F899-K903 WeakPolarHBondContact O-CG 3.49Å; I901-K903 VanDerWaalsContact C-N 3.33Å; I901-K903 PolarHBondContact O-N 2.89Å; K903-C907 PolarHBondContact O-N 2.96Å; K903-C907 PolarHBondContact O-SG 2.88Å; K903-C907 VanDerWaalsContact O-SG 3.36Å; K903-D942 PolarHBondContact NZ-O 3.31Å; K903-W943 VanDerWaalsContact CE-O 3.25Å; K903-W943 WeakPolarHBondContact CE-O 3.43Å; K903-W943 PolarHBondContact NZ-O 3.45Å; K903-K945 PolarHBondContact NZ-O 3.48Å; K903-I947 HydrophobicContact CB-CD1 3.94Å; K903-I947 HydrophobicContact CB-CG1 4.32Å; K903-I947 HydrophobicContact CD-CD1 4.23Å; K903-I947 HydrophobicContact CG-CD1 3.72Å; K903-I947 HydrophobicContact CG-CG1 4.39Å
904K86.1Confident83Confident88 Ų8840.1 Ų40.138%0.38321%0.208SC..Hα-helixtrans-66.9-45.6175.9-65.4174.2-176.1173.70112F852 H855 I901 F902 L906 C907 L908F852-K904 HydrophobicContact CD2-CB 3.7Å; F852-K904 HydrophobicContact CD2-CD 4.11Å; F852-K904 HydrophobicContact CE2-CB 3.65Å; F852-K904 HydrophobicContact CE2-CD 4.46Å; H855-K904 PolarHBondContact NE2-NZ 3.12Å; I901-K904 PolarHBondContact O-N 3.12Å; I901-K904 VanDerWaalsContact O-N 3.13Å; F902-K904 PolarHBondContact O-N 3.21Å; K904-L906 VanDerWaalsContact C-N 3.32Å; K904-L906 PolarHBondContact O-N 2.97Å; K904-C907 PolarHBondContact O-N 2.96Å; K904-L908 WeakPolarHBondContact O-CG 3.16Å; K904-L908 PolarHBondContact O-N 2.85Å
905L88.8Confident83.5Confident2 Ų238.6 Ų38.61%0.0119%0.192CC..Hα-helixtrans-57.2-45.3177-177.366000111.5F852 F885 L889 I901 F902 L908 W909F852-L905 HydrophobicContact CE1-CB 4.39Å; F852-L905 HydrophobicContact CE1-CD1 3.85Å; F852-L905 HydrophobicContact CZ-CB 3.81Å; F852-L905 HydrophobicContact CZ-CD1 4.04Å; F885-L905 HydrophobicContact CE1-CD2 4.4Å; F885-L905 HydrophobicContact CZ-CD2 4.17Å; L889-L905 HydrophobicContact CD2-CD2 3.63Å; I901-L905 WeakPolarHBondContact O-CB 3.42Å; I901-L905 PolarHBondContact O-N 3.32Å; F902-L905 PolarHBondContact O-N 3.14Å; L905-L908 PolarHBondContact O-N 3.44Å; L905-W909 HydrophobicContact CD1-CE3 4.12Å; L905-W909 HydrophobicContact CD1-CZ3 4.15Å; L905-W909 HydrophobicContact CG-CE3 4.18Å; L905-W909 HydrophobicContact CG-CZ3 4.39Å; L905-W909 PolarHBondContact O-N 3.26Å; L905-W909 VanDerWaalsContact O-N 3.14Å
906L89.3Confident84Confident0 Ų036 Ų360%018%0.177CC..Hα-helixtrans-65.7-47-176.9-173.762.9000112.1F902 K904 L908 W909 Q915 L918 L919 I947 V956F902-L906 HydrophobicContact CE1-CD2 4.02Å; F902-L906 HydrophobicContact CZ-CD2 4.46Å; F902-L906 WeakPolarHBondContact O-CB 3.47Å; F902-L906 PolarHBondContact O-N 2.82Å; K904-L906 VanDerWaalsContact C-N 3.32Å; K904-L906 PolarHBondContact O-N 2.97Å; L906-L908 VanDerWaalsContact C-N 3.27Å; L906-L908 PolarHBondContact O-N 3.37Å; L906-W909 WeakPolarHBondContact O-CB 3.25Å; L906-W909 PolarHBondContact O-N 2.88Å; L906-Q915 HydrophobicContact CD1-CB 4.25Å; L906-Q915 HydrophobicContact CD1-CG 4.37Å; L906-Q915 WeakPolarHBondContact O-CG 3.48Å; L906-Q915 PolarHBondContact O-NE2 2.87Å; L906-L918 HydrophobicContact CD1-CB 3.62Å; L906-L918 HydrophobicContact CD1-CD1 4.01Å; L906-L918 HydrophobicContact CD1-CG 4.47Å; L906-L919 HydrophobicContact CD2-CB 4.16Å; L906-L919 HydrophobicContact CD2-CD1 4.15Å; L906-I947 HydrophobicContact CD2-CD1 4.23Å; L906-V956 HydrophobicContact CD2-CG1 3.91Å; L906-V956 HydrophobicContact CG-CB 4.35Å; L906-V956 HydrophobicContact CG-CG1 3.92Å
907C87.8Confident84.7Confident12 Ų1232.6 Ų32.68%0.08116%0.158CC..Hα-helixtrans-68-24.4178.9-63.90000113.4Y839 K903 K904 I957Y839-C907 PolarHBondContact OH-O 3.42Å; K903-C907 PolarHBondContact O-N 2.96Å; K903-C907 PolarHBondContact O-SG 2.88Å; K903-C907 VanDerWaalsContact O-SG 3.36Å; K904-C907 PolarHBondContact O-N 2.96Å; C907-I957 PolarHBondContact SG-O 3.35Å
908L86.9Confident85.2Confident12 Ų1229.5 Ų29.56%0.06314%0.142CC..Hα-helixtrans-86.4-11.4173.9-66.9173.5000113.8L498 Y839 F845 R848 F852 K904 L905 L906 N910L498-L908 HydrophobicContact CD1-CB 4.37Å; L498-L908 WeakPolarHBondContact CD2-O 3.26Å; Y839-L908 PolarHBondContact OH-O 3.41Å; F845-L908 HydrophobicContact CD2-CD2 3.75Å; F845-L908 HydrophobicContact CE2-CB 4.29Å; F845-L908 HydrophobicContact CE2-CD2 3.88Å; F845-L908 WeakPolarHBondContact CE2-O 3.27Å; R848-L908 HydrophobicContact CB-CD2 4.21Å; F852-L908 HydrophobicContact CB-CD1 4.02Å; F852-L908 HydrophobicContact CD1-CD1 4.17Å; F852-L908 HydrophobicContact CG-CD1 4.06Å; K904-L908 WeakPolarHBondContact O-CG 3.16Å; K904-L908 PolarHBondContact O-N 2.85Å; L905-L908 PolarHBondContact O-N 3.44Å; L906-L908 VanDerWaalsContact C-N 3.27Å; L906-L908 PolarHBondContact O-N 3.37Å; L908-N910 PolarHBondContact O-N 3.22Å
909W86.4Confident85.3Confident0 Ų030 Ų300%015%0.145CC..  trans-70.5121.8-173.2-160.5-80.9000112.5A497 L498 Y839 C872 F875 K876 F885 L905 L906 D911 Q915A497-W909 HydrophobicContact CB-CH2 4.08Å; A497-W909 HydrophobicContact CB-CZ3 4.36Å; L498-W909 HydrophobicContact CD2-CE3 4.26Å; Y839-W909 WeakPolarHBondContact CE2-O 3.25Å; C872-W909 HydrophobicContact CB-CH2 4.02Å; C872-W909 HydrophobicContact CB-CZ3 4.25Å; C872-W909 WeakPolarHBondContact O-CH2 3Å; F875-W909 AromaticContact CD1-CH2 3.86Å; F875-W909 HydrophobicContact CD1-CH2 3.86Å; F875-W909 AromaticContact CD1-CZ2 3.53Å; F875-W909 HydrophobicContact CD1-CZ2 3.53Å; F875-W909 HydrophobicContact CE1-CZ2 4.17Å; K876-W909 HydrophobicContact CB-CZ2 4.23Å; F885-W909 HydrophobicContact CZ-CZ3 4.35Å; L905-W909 HydrophobicContact CD1-CE3 4.12Å; L905-W909 HydrophobicContact CD1-CZ3 4.15Å; L905-W909 HydrophobicContact CG-CE3 4.18Å; L905-W909 HydrophobicContact CG-CZ3 4.39Å; L905-W909 PolarHBondContact O-N 3.26Å; L905-W909 VanDerWaalsContact O-N 3.14Å; L906-W909 WeakPolarHBondContact O-CB 3.25Å; L906-W909 PolarHBondContact O-N 2.88Å; W909-D911 VanDerWaalsContact C-N 3.26Å; W909-D911 PolarHBondContact O-N 3.15Å; W909-D911 VanDerWaalsContact O-N 3.09Å; W909-Q915 HydrophobicContact CB-CG 3.89Å; W909-Q915 WeakPolarHBondContact O-CG 3.3Å; W909-Q915 PolarHBondContact O-NE2 3.46Å
910N83.2Confident85.8Confident28 Ų2831.8 Ų31.815%0.1515%0.153CC..SBendtrans-83.217.5-164.276.9-6.6000116.6A497 G499 Y839 L908A497-N910 PolarHBondContact O-OD1 3.41Å; A497-N910 VanDerWaalsContact O-OD1 3.11Å; G499-N910 PolarHBondContact N-ND2 3.13Å; G499-N910 PolarHBondContact O-ND2 2.91Å; Y839-N910 HydrophobicContact CD1-CB 4.08Å; Y839-N910 HydrophobicContact CE1-CB 3.99Å; L908-N910 PolarHBondContact O-N 3.22Å
911D84.4Confident86.3Confident46 Ų4631.1 Ų31.125%0.24614%0.14CC..  trans-133.6116.4172.4170.124.6000110.4W909 H913 Q914 Q915W909-D911 VanDerWaalsContact C-N 3.26Å; W909-D911 PolarHBondContact O-N 3.15Å; W909-D911 VanDerWaalsContact O-N 3.09Å; D911-H913 PolarHBondContact O-N 3.12Å; D911-H913 WeakPolarHBondContact OD1-CB 3.43Å; D911-H913 IonicContact OD1-CD2 3.92Å; D911-H913 PolarHBondContact OD1-N 3.12Å; D911-Q914 HydrophobicContact CB-CB 4.12Å; D911-Q914 HydrophobicContact CB-CG 4.5Å; D911-Q914 PolarHBondContact O-N 2.93Å; D911-Q914 WeakPolarHBondContact OD2-CB 3.31Å; D911-Q914 WeakPolarHBondContact OD2-CG 3.18Å; D911-Q914 PolarHBondContact OD2-N 3.28Å; D911-Q914 VanDerWaalsContact OD2-N 3.08Å; D911-Q915 WeakPolarHBondContact O-CG 3.43Å; D911-Q915 PolarHBondContact O-N 2.67Å
912I85.3Confident86.3Confident9 Ų931 Ų315%0.04614%0.139CC..Hα-helixtrans-57.7-34.1177.6-62.7176.8000111.6Y839 R916 Q955Y839-I912 HydrophobicContact CD2-CG1 4.2Å; I912-R916 HydrophobicContact CG2-CG 4.4Å; I912-R916 VanDerWaalsContact CG2-NE 3.31Å; I912-R916 WeakPolarHBondContact O-CB 3.19Å; I912-R916 WeakPolarHBondContact O-CG 3.13Å; I912-R916 PolarHBondContact O-N 3.43Å; I912-Q955 HydrophobicContact CD1-CB 3.99Å; I912-Q955 HydrophobicContact CD1-CG 4.45Å; I912-Q955 HydrophobicContact CG1-CB 3.96Å; I912-Q955 HydrophobicContact CG1-CG 4.06Å
913H84.5Confident86.1Confident90 Ų9031 Ų3142%0.41714%0.14SC..Hα-helixtrans-71.5-44.7178.4-74.9-77.4000112.2V835 D911 R916 R917V835-H913 VanDerWaalsContact CG1-CE1 3.47Å; V835-H913 WeakPolarHBondContact CG1-CE1 3.32Å; D911-H913 PolarHBondContact O-N 3.12Å; D911-H913 WeakPolarHBondContact OD1-CB 3.43Å; D911-H913 IonicContact OD1-CD2 3.92Å; D911-H913 PolarHBondContact OD1-N 3.12Å; H913-R916 PolarHBondContact O-N 2.98Å; H913-R917 VanDerWaalsContact O-CG 3.28Å; H913-R917 WeakPolarHBondContact O-CG 3.49Å; H913-R917 PolarHBondContact O-N 3.29Å
914Q86.9Confident85.9Confident7 Ų732.1 Ų32.13%0.03315%0.145CC..Hα-helixtrans-64.4-41.7173.4-79.3169.52.200111.7F875 K876 N878 D911 R916 R917 L918F875-Q914 HydrophobicContact CE1-CB 3.78Å; F875-Q914 HydrophobicContact CE1-CG 3.95Å; F875-Q914 HydrophobicContact CZ-CB 4.06Å; F875-Q914 HydrophobicContact CZ-CG 3.99Å; F875-Q914 PolarHBondContact O-NE2 3.38Å; K876-Q914 PolarHBondContact O-NE2 3Å; N878-Q914 PolarHBondContact OD1-NE2 3.2Å; D911-Q914 HydrophobicContact CB-CB 4.12Å; D911-Q914 HydrophobicContact CB-CG 4.5Å; D911-Q914 PolarHBondContact O-N 2.93Å; D911-Q914 WeakPolarHBondContact OD2-CB 3.31Å; D911-Q914 WeakPolarHBondContact OD2-CG 3.18Å; D911-Q914 PolarHBondContact OD2-N 3.28Å; D911-Q914 VanDerWaalsContact OD2-N 3.08Å; Q914-R916 PolarHBondContact O-N 3.35Å; Q914-R917 PolarHBondContact O-N 3.45Å; Q914-L918 WeakPolarHBondContact O-CG 3.22Å; Q914-L918 PolarHBondContact O-N 2.67Å
915Q88.5Confident85.7Confident0 Ų031.1 Ų31.10%014%0.142CC..Hα-helixtrans-53.8-54.3170.7-77.2-171-30.500112.6L906 W909 D911 R917 L918 L919 Q955 V956L906-Q915 HydrophobicContact CD1-CB 4.25Å; L906-Q915 HydrophobicContact CD1-CG 4.37Å; L906-Q915 WeakPolarHBondContact O-CG 3.48Å; L906-Q915 PolarHBondContact O-NE2 2.87Å; W909-Q915 HydrophobicContact CB-CG 3.89Å; W909-Q915 WeakPolarHBondContact O-CG 3.3Å; W909-Q915 PolarHBondContact O-NE2 3.46Å; D911-Q915 WeakPolarHBondContact O-CG 3.43Å; D911-Q915 PolarHBondContact O-N 2.67Å; Q915-R917 VanDerWaalsContact C-N 3.28Å; Q915-R917 PolarHBondContact O-N 3.19Å; Q915-L918 PolarHBondContact O-N 3.03Å; Q915-L919 WeakPolarHBondContact O-CB 3.48Å; Q915-L919 PolarHBondContact O-N 2.88Å; Q915-Q955 VanDerWaalsContact OE1-CG 3.29Å; Q915-V956 HydrophobicContact CB-CB 4.21Å; Q915-V956 HydrophobicContact CB-CG2 3.77Å; Q915-V956 HydrophobicContact CG-CB 4.37Å; Q915-V956 HydrophobicContact CG-CG2 4.47Å; Q915-V956 PolarHBondContact NE2-O 2.91Å
916R85.4Confident85.2Confident64 Ų6431 Ų3124%0.24214%0.141CC..Hα-helixtrans-61.8-34.3-179.5-70.8172.9-169.617912.7112.4I912 H913 Q914 K920 C953 S954I912-R916 HydrophobicContact CG2-CG 4.4Å; I912-R916 VanDerWaalsContact CG2-NE 3.31Å; I912-R916 WeakPolarHBondContact O-CB 3.19Å; I912-R916 WeakPolarHBondContact O-CG 3.13Å; I912-R916 PolarHBondContact O-N 3.43Å; H913-R916 PolarHBondContact O-N 2.98Å; Q914-R916 PolarHBondContact O-N 3.35Å; R916-K920 WeakPolarHBondContact O-CB 3.36Å; R916-K920 PolarHBondContact O-N 2.84Å; R916-K920 VanDerWaalsContact O-N 3.07Å; R916-C953 PolarHBondContact NH2-O 3.45Å; R916-S954 PolarHBondContact NE-O 3.4Å
917R85.6Confident84.7Confident128 Ų12831.1 Ų31.148%0.48314%0.142SC..Hα-helixtrans-66.1-47.8174.5-73.7169.7179.3176.12.6111.7N878 A882 H913 Q914 Q915 K920 V921N878-R917 PolarHBondContact OD1-NH1 3.43Å; N878-R917 VanDerWaalsContact OD1-NH1 3.14Å; A882-R917 HydrophobicContact CB-CB 3.99Å; H913-R917 VanDerWaalsContact O-CG 3.28Å; H913-R917 WeakPolarHBondContact O-CG 3.49Å; H913-R917 PolarHBondContact O-N 3.29Å; Q914-R917 PolarHBondContact O-N 3.45Å; Q915-R917 VanDerWaalsContact C-N 3.28Å; Q915-R917 PolarHBondContact O-N 3.19Å; R917-K920 PolarHBondContact O-N 3.16Å; R917-V921 PolarHBondContact O-N 3.45Å; R917-V921 VanDerWaalsContact O-N 3.15Å
918L87.6Confident84.1Confident1 Ų134.1 Ų34.11%0.00516%0.163CC..Hα-helixtrans-64-44.9177.3-71.2178000112.1F875 A882 F885 F902 L906 Q914 Q915 K920 V921 Y922F875-L918 HydrophobicContact CD1-CD1 4.23Å; F875-L918 HydrophobicContact CD1-CD2 4.38Å; F875-L918 HydrophobicContact CD1-CG 4.48Å; F875-L918 HydrophobicContact CE1-CD1 3.55Å; F875-L918 HydrophobicContact CE1-CD2 3.74Å; F875-L918 HydrophobicContact CE1-CG 3.54Å; F875-L918 HydrophobicContact CE2-CD2 4.37Å; F875-L918 HydrophobicContact CZ-CD1 4.25Å; F875-L918 HydrophobicContact CZ-CD2 3.73Å; F875-L918 HydrophobicContact CZ-CG 3.71Å; A882-L918 HydrophobicContact CB-CD2 4.19Å; F885-L918 HydrophobicContact CD1-CD2 3.54Å; F885-L918 HydrophobicContact CE1-CD1 4.28Å; F885-L918 HydrophobicContact CE1-CD2 4.01Å; F902-L918 HydrophobicContact CZ-CB 4.13Å; L906-L918 HydrophobicContact CD1-CB 3.62Å; L906-L918 HydrophobicContact CD1-CD1 4.01Å; L906-L918 HydrophobicContact CD1-CG 4.47Å; Q914-L918 WeakPolarHBondContact O-CG 3.22Å; Q914-L918 PolarHBondContact O-N 2.67Å; Q915-L918 PolarHBondContact O-N 3.03Å; L918-K920 VanDerWaalsContact C-N 3.28Å; L918-K920 PolarHBondContact O-N 3.21Å; L918-V921 PolarHBondContact O-N 3.33Å; L918-Y922 PolarHBondContact O-N 3.22Å
919L86.3Confident83.3Confident9 Ų934.6 Ų34.65%0.04717%0.167CC..Hα-helixtrans-60.3-39.3176.6-177.360.6000111.6F814 L906 Q915 Y922 L923 L949 V956F814-L919 HydrophobicContact CD2-CD2 4.19Å; F814-L919 HydrophobicContact CE2-CD2 4.23Å; L906-L919 HydrophobicContact CD2-CB 4.16Å; L906-L919 HydrophobicContact CD2-CD1 4.15Å; Q915-L919 WeakPolarHBondContact O-CB 3.48Å; Q915-L919 PolarHBondContact O-N 2.88Å; L919-Y922 HydrophobicContact CD1-CD1 4.28Å; L919-Y922 PolarHBondContact O-N 3.42Å; L919-L923 HydrophobicContact CD1-CD1 4.25Å; L919-L923 HydrophobicContact CD1-CG 4.32Å; L919-L923 HydrophobicContact CG-CD1 4.03Å; L919-L923 VanDerWaalsContact O-CG 3.28Å; L919-L923 WeakPolarHBondContact O-CG 3.42Å; L919-L923 PolarHBondContact O-N 2.96Å; L919-L949 HydrophobicContact CD2-CD1 3.97Å; L919-L949 HydrophobicContact CD2-CD2 3.84Å; L919-L949 HydrophobicContact CD2-CG 4.08Å; L919-V956 HydrophobicContact CB-CG2 4.36Å; L919-V956 HydrophobicContact CD2-CG2 3.89Å
920K84.7Confident82.2Confident84 Ų8436.3 Ų36.337%0.36518%0.178SC..Hα-helixtrans-60.3-49.4174.4177.3179.7172.4-171.90111.4R916 R917 L918 Y922 L923 E924R916-K920 WeakPolarHBondContact O-CB 3.36Å; R916-K920 PolarHBondContact O-N 2.84Å; R916-K920 VanDerWaalsContact O-N 3.07Å; R917-K920 PolarHBondContact O-N 3.16Å; L918-K920 VanDerWaalsContact C-N 3.28Å; L918-K920 PolarHBondContact O-N 3.21Å; K920-Y922 VanDerWaalsContact C-N 3.33Å; K920-Y922 PolarHBondContact O-N 3.26Å; K920-L923 PolarHBondContact O-N 2.84Å; K920-E924 WeakPolarHBondContact CE-OE1 3.41Å; K920-E924 WeakPolarHBondContact CE-OE2 3.48Å; K920-E924 HydrophobicContact CG-CG 4.44Å; K920-E924 IonicContact NZ-OE1 2.77Å; K920-E924 PolarHBondContact NZ-OE1 3.26Å; K920-E924 IonicContact NZ-OE2 2.67Å; K920-E924 WeakPolarHBondContact O-CG 3.3Å; K920-E924 PolarHBondContact O-N 2.86Å
921V86.6Confident80.8Confident27 Ų2738.6 Ų38.616%0.16421%0.208CC..Hα-helixtrans-62.1-42179.9172.50000111.1A882 F886 R917 L918 L923 E924 H925A882-V921 HydrophobicContact CB-CG2 3.89Å; F886-V921 HydrophobicContact CB-CG1 3.66Å; F886-V921 HydrophobicContact CD1-CG1 4.15Å; F886-V921 HydrophobicContact CD2-CG1 3.91Å; F886-V921 HydrophobicContact CG-CG1 3.65Å; R917-V921 PolarHBondContact O-N 3.45Å; R917-V921 VanDerWaalsContact O-N 3.15Å; L918-V921 PolarHBondContact O-N 3.33Å; V921-L923 PolarHBondContact O-N 3.18Å; V921-E924 PolarHBondContact O-N 3.01Å; V921-H925 WeakPolarHBondContact O-CB 3.35Å; V921-H925 PolarHBondContact O-N 3.22Å
922Y85.4Confident79.3Confident3 Ų341.8 Ų41.81%0.01222%0.224CC..Hα-helixtrans-57.9-46.8173.7177.4-111.4000112.3F886 F898 F899 F902 L918 L919 K920 H925 C926 W943F886-Y922 AromaticContact CE2-CD2 3.8Å; F886-Y922 HydrophobicContact CE2-CD2 3.8Å; F886-Y922 HydrophobicContact CE2-CG 4.31Å; F886-Y922 HydrophobicContact CZ-CD2 4.03Å; F898-Y922 HydrophobicContact CE1-CD2 4.42Å; F899-Y922 AromaticContact CD1-CE2 3.93Å; F899-Y922 HydrophobicContact CD1-CE2 3.93Å; F899-Y922 AromaticContact CE1-CE2 3.85Å; F899-Y922 HydrophobicContact CE1-CE2 3.85Å; F902-Y922 AromaticContact CD1-CD2 3.97Å; F902-Y922 HydrophobicContact CD1-CD2 3.97Å; F902-Y922 HydrophobicContact CD1-CE2 4.35Å; F902-Y922 HydrophobicContact CD1-CG 4.26Å; F902-Y922 HydrophobicContact CE1-CD1 4.37Å; F902-Y922 AromaticContact CE1-CD2 3.77Å; F902-Y922 HydrophobicContact CE1-CD2 3.77Å; F902-Y922 AromaticContact CE1-CG 3.66Å; F902-Y922 HydrophobicContact CE1-CG 3.66Å; F902-Y922 HydrophobicContact CZ-CG 4.48Å; L918-Y922 PolarHBondContact O-N 3.22Å; L919-Y922 HydrophobicContact CD1-CD1 4.28Å; L919-Y922 PolarHBondContact O-N 3.42Å; K920-Y922 VanDerWaalsContact C-N 3.33Å; K920-Y922 PolarHBondContact O-N 3.26Å; Y922-H925 WeakPolarHBondContact O-CB 3.21Å; Y922-H925 PolarHBondContact O-N 3.49Å; Y922-C926 PolarHBondContact O-N 3.04Å; Y922-C926 PolarHBondContact O-SG 3.07Å; Y922-W943 WeakPolarHBondContact CE1-O 3.3Å; Y922-W943 PolarHBondContact OH-O 3.32Å
923L83Confident77.5Confident2 Ų246.8 Ų46.81%0.0126%0.257CS..Hα-helixtrans-66.6-36.3176.7-67.8168.2000112.2L806 F813 L919 K920 V921 H925 V927 V944L806-L923 HydrophobicContact CD1-CB 3.93Å; L806-L923 HydrophobicContact CD2-CB 4.19Å; L806-L923 WeakPolarHBondContact CD2-O 3.06Å; F813-L923 HydrophobicContact CD1-CD1 4.38Å; F813-L923 HydrophobicContact CD1-CD2 4.49Å; F813-L923 HydrophobicContact CE1-CB 4.37Å; F813-L923 HydrophobicContact CE1-CD2 4.25Å; L919-L923 HydrophobicContact CD1-CD1 4.25Å; L919-L923 HydrophobicContact CD1-CG 4.32Å; L919-L923 HydrophobicContact CG-CD1 4.03Å; L919-L923 VanDerWaalsContact O-CG 3.28Å; L919-L923 WeakPolarHBondContact O-CG 3.42Å; L919-L923 PolarHBondContact O-N 2.96Å; K920-L923 PolarHBondContact O-N 2.84Å; V921-L923 PolarHBondContact O-N 3.18Å; L923-H925 VanDerWaalsContact C-N 3.34Å; L923-V927 WeakPolarHBondContact O-CB 3.28Å; L923-V927 VanDerWaalsContact O-CG2 3.29Å; L923-V927 WeakPolarHBondContact O-CG2 3.41Å; L923-V927 PolarHBondContact O-N 3.23Å; L923-V944 HydrophobicContact CD2-CG2 4.22Å
924E82.1Confident75.8Confident63 Ų6348 Ų4829%0.29427%0.267SS..Hα-helixtrans-66.6-34.7173.6-74.7-178.9153.400111.6L806 K920 V921 S928L806-E924 HydrophobicContact CD2-CB 4.28Å; L806-E924 HydrophobicContact CD2-CG 3.61Å; L806-E924 HydrophobicContact CG-CG 4.14Å; K920-E924 WeakPolarHBondContact CE-OE1 3.41Å; K920-E924 WeakPolarHBondContact CE-OE2 3.48Å; K920-E924 HydrophobicContact CG-CG 4.44Å; K920-E924 IonicContact NZ-OE1 2.77Å; K920-E924 PolarHBondContact NZ-OE1 3.26Å; K920-E924 IonicContact NZ-OE2 2.67Å; K920-E924 WeakPolarHBondContact O-CG 3.3Å; K920-E924 PolarHBondContact O-N 2.86Å; V921-E924 PolarHBondContact O-N 3.01Å; E924-S928 WeakPolarHBondContact O-CB 3.5Å; E924-S928 PolarHBondContact O-N 3.45Å; E924-S928 VanDerWaalsContact O-N 3.11Å; E924-S928 PolarHBondContact O-OG 3.35Å
925H81.4Confident74Confident67 Ų6754.7 Ų54.731%0.3130%0.303SS..Hα-helixtrans-67.8-53.1171.9-172.1-90.4000111.6F886 V921 Y922 L923 V927 S928 S929F886-H925 HydrophobicContact CE1-CB 3.82Å; F886-H925 AromaticContact CE1-CD2 3.71Å; F886-H925 AromaticContact CE1-CG 3.61Å; F886-H925 HydrophobicContact CZ-CB 3.83Å; F886-H925 AromaticContact CZ-CG 3.88Å; V921-H925 WeakPolarHBondContact O-CB 3.35Å; V921-H925 PolarHBondContact O-N 3.22Å; Y922-H925 WeakPolarHBondContact O-CB 3.21Å; Y922-H925 PolarHBondContact O-N 3.49Å; L923-H925 VanDerWaalsContact C-N 3.34Å; H925-V927 VanDerWaalsContact C-N 3.32Å; H925-V927 PolarHBondContact O-N 2.85Å; H925-S928 CarbonylContact O-C 3.5Å; H925-S928 WeakPolarHBondContact O-CA 3.28Å; H925-S928 VanDerWaalsContact O-CB 3.31Å; H925-S928 WeakPolarHBondContact O-CB 3.43Å; H925-S928 PolarHBondContact O-N 2.93Å; H925-S929 PolarHBondContact O-N 2.98Å; H925-S929 PolarHBondContact O-OG 3.33Å; H925-S929 VanDerWaalsContact O-OG 3.1Å
926C78.6Confident72.3Confident0 Ų059.4 Ų59.40%033%0.332CS..Hα-helixtrans-55.9-44.7179-690000112.1Y922 S928 S929 V930 W943Y922-C926 PolarHBondContact O-N 3.04Å; Y922-C926 PolarHBondContact O-SG 3.07Å; C926-S928 VanDerWaalsContact C-N 3.26Å; C926-S928 PolarHBondContact O-N 3.23Å; C926-S929 VanDerWaalsContact CA-OG 3.29Å; C926-S929 WeakPolarHBondContact CA-OG 3.46Å; C926-S929 PolarHBondContact O-N 2.76Å; C926-S929 PolarHBondContact O-OG 3.37Å; C926-V930 PolarHBondContact O-N 3.36Å; C926-W943 HydrophobicContact CB-CB 4.45Å; C926-W943 HydrophobicContact CB-CD2 3.78Å; C926-W943 HydrophobicContact CB-CE3 3.67Å; C926-W943 HydrophobicContact CB-CG 4.11Å; C926-W943 HydrophobicContact CB-CZ3 4.28Å
927V77.1Confident70.7Confident1 Ų158.2 Ų58.21%0.00633%0.33CS..Hα-helixtrans-66.5-26.1174.5170.30000112.7K799 M802 N803 L806 F813 L923 H925 W943K799-V927 VanDerWaalsContact CE-O 3.26Å; K799-V927 WeakPolarHBondContact CE-O 3.42Å; M802-V927 HydrophobicContact CB-CG1 4.14Å; M802-V927 HydrophobicContact CB-CG2 4.28Å; N803-V927 HydrophobicContact CB-CG1 4.49Å; N803-V927 VanDerWaalsContact ND2-CG1 3.3Å; N803-V927 WeakPolarHBondContact ND2-CG1 3.5Å; L806-V927 HydrophobicContact CD2-CB 4.16Å; L806-V927 HydrophobicContact CD2-CG2 3.93Å; F813-V927 HydrophobicContact CE1-CG2 3.77Å; F813-V927 HydrophobicContact CE2-CG2 4.43Å; F813-V927 HydrophobicContact CZ-CG2 3.37Å; L923-V927 WeakPolarHBondContact O-CB 3.28Å; L923-V927 VanDerWaalsContact O-CG2 3.29Å; L923-V927 WeakPolarHBondContact O-CG2 3.41Å; L923-V927 PolarHBondContact O-N 3.23Å; H925-V927 VanDerWaalsContact C-N 3.32Å; H925-V927 PolarHBondContact O-N 2.85Å; V927-W943 HydrophobicContact CG2-CZ3 4.21Å
928S76.4Confident69.2Low76 Ų7654.3 Ų54.353%0.53133%0.33SS..Hα-helixtrans-77-32.9174-62.30000112.8K799 E924 H925 C926K799-S928 WeakPolarHBondContact CE-O 3.47Å; K799-S928 PolarHBondContact NZ-O 2.75Å; E924-S928 WeakPolarHBondContact O-CB 3.5Å; E924-S928 PolarHBondContact O-N 3.45Å; E924-S928 VanDerWaalsContact O-N 3.11Å; E924-S928 PolarHBondContact O-OG 3.35Å; H925-S928 CarbonylContact O-C 3.5Å; H925-S928 WeakPolarHBondContact O-CA 3.28Å; H925-S928 VanDerWaalsContact O-CB 3.31Å; H925-S928 WeakPolarHBondContact O-CB 3.43Å; H925-S928 PolarHBondContact O-N 2.93Å; C926-S928 VanDerWaalsContact C-N 3.26Å; C926-S928 PolarHBondContact O-N 3.23Å
929S70.7Confident68Low21 Ų2156.2 Ų56.215%0.14734%0.343CS..Hα-helixtrans-75.1-17.1172.738.80000114.7H925 C926 G931 L932 L937H925-S929 PolarHBondContact O-N 2.98Å; H925-S929 PolarHBondContact O-OG 3.33Å; H925-S929 VanDerWaalsContact O-OG 3.1Å; C926-S929 VanDerWaalsContact CA-OG 3.29Å; C926-S929 WeakPolarHBondContact CA-OG 3.46Å; C926-S929 PolarHBondContact O-N 2.76Å; C926-S929 PolarHBondContact O-OG 3.37Å; S929-G931 PolarHBondContact O-N 3.34Å; S929-L932 PolarHBondContact O-N 2.94Å; S929-L937 WeakPolarHBondContact OG-CD1 3.49Å
930V62.3Low67Low37 Ų3757.6 Ų57.622%0.22435%0.351CS..THydrogen-bonded Turntrans-52.7125.8172.41750000110.4K799 C926 W943K799-V930 HydrophobicContact CB-CG1 4.27Å; K799-V930 HydrophobicContact CD-CB 4.49Å; K799-V930 WeakPolarHBondContact CD-O 3.33Å; K799-V930 VanDerWaalsContact CE-O 3.22Å; K799-V930 WeakPolarHBondContact CE-O 3.2Å; K799-V930 HydrophobicContact CG-CB 4.37Å; K799-V930 HydrophobicContact CG-CG1 4.43Å; K799-V930 PolarHBondContact NZ-O 3.49Å; C926-V930 PolarHBondContact O-N 3.36Å; V930-W943 HydrophobicContact CG2-CH2 3.31Å; V930-W943 HydrophobicContact CG2-CZ2 3.71Å; V930-W943 HydrophobicContact CG2-CZ3 4.31Å
931G54.1Low66.1Low76 Ų7656.9 Ų56.978%0.78436%0.357SS*.THydrogen-bonded Turntrans88.410.4-178.900000115.1S929S929-G931 PolarHBondContact O-N 3.34Å
932L53.9Low65.5Low113 Ų11358 Ų5859%0.59236%0.362SS*.  trans-67.2141.1148.7-70.7168.7000108.5S929 D934S929-L932 PolarHBondContact O-N 2.94Å; L932-D934 VanDerWaalsContact C-N 3.28Å; L932-D934 PolarHBondContact O-N 3.06Å
933P47.5Very low65Low114 Ų11458.5 Ų58.574%0.7436%0.364SS*.SBendtrans-76-18.3-176.831.9-36.1000113
934D48.3Very low64.8Low115 Ų11558.6 Ų58.662%0.61537%0.365SS*.SBendtrans-85.3117.9177.1-53.2-62.3000109.3L932 V936L932-D934 VanDerWaalsContact C-N 3.28Å; L932-D934 PolarHBondContact O-N 3.06Å; D934-V936 HydrophobicContact CB-CG2 3.78Å; D934-V936 PolarHBondContact O-N 3.27Å
935N49.1Very low64.6Low147 Ų14761.5 Ų61.579%0.78638%0.377SS*.  trans-71.833.2-175.6-73.2-21.5000114.4L937 G938N935-L937 PolarHBondContact O-N 2.98Å; N935-G938 PolarHBondContact O-N 2.7Å; N935-G938 VanDerWaalsContact O-N 3.17Å
936V51.9Low64.6Low100 Ų10060 Ų6061%0.60638%0.379SS*.THydrogen-bonded Turntrans-56.5-23.8-172.8-174.90000113.4D934D934-V936 HydrophobicContact CB-CG2 3.78Å; D934-V936 PolarHBondContact O-N 3.27Å
937L52.2Low65Low38 Ų3860.1 Ų60.120%0.19938%0.379CS..THydrogen-bonded Turntrans-107.96.4-173.7-101.5153000114.7F899 S929 N935 W943F899-L937 HydrophobicContact CD1-CD2 4.49Å; F899-L937 HydrophobicContact CE1-CD2 3.72Å; F899-L937 HydrophobicContact CE1-CG 4.4Å; F899-L937 HydrophobicContact CE2-CG 4.44Å; F899-L937 HydrophobicContact CZ-CD1 4.09Å; F899-L937 HydrophobicContact CZ-CD2 3.73Å; F899-L937 HydrophobicContact CZ-CG 3.9Å; S929-L937 WeakPolarHBondContact OG-CD1 3.49Å; N935-L937 PolarHBondContact O-N 2.98Å; L937-W943 HydrophobicContact CD2-CG 4.25Å; L937-W943 PolarHBondContact O-NE1 3.36Å; L937-W943 VanDerWaalsContact O-NE1 3.1Å
938G54.4Low65.3Low47 Ų4760 Ų6049%0.48538%0.379SS..  trans65.2-160.5178.500000114.3N935N935-G938 PolarHBondContact O-N 2.7Å; N935-G938 VanDerWaalsContact O-N 3.17Å
939S61.2Low65.7Low40 Ų4057.2 Ų57.228%0.2836%0.358SS..SBendtrans-73.4164.8173-172.70000110.1E794 S941 D942 W943E794-S939 WeakPolarHBondContact OE1-CB 3.12Å; E794-S939 PolarHBondContact OE1-OG 3.42Å; S939-S941 PolarHBondContact O-N 3.45Å; S939-D942 PolarHBondContact N-OD2 2.8Å; S939-D942 PolarHBondContact O-N 3.08Å; S939-W943 PolarHBondContact O-NE1 3Å
940V65.2Low66.4Low38 Ų3856.2 Ų56.223%0.2335%0.351CS..Hα-helixtrans-52.6-32-177.7179.70000112.1M802 I817 W943M802-V940 HydrophobicContact CE-CG1 3.49Å; M802-V940 VanDerWaalsContact CE-CG1 3.49Å; M802-V940 HydrophobicContact CE-CG2 4.5Å; I817-V940 HydrophobicContact CB-CG1 4.42Å; I817-V940 HydrophobicContact CD1-CG1 3.78Å; I817-V940 HydrophobicContact CG1-CG1 3.7Å; I817-V940 HydrophobicContact CG2-CG1 4.05Å; I817-V940 WeakPolarHBondContact CG2-O 3.42Å; V940-W943 HydrophobicContact CB-CH2 4.18Å; V940-W943 HydrophobicContact CB-CZ2 4.28Å; V940-W943 HydrophobicContact CB-CZ3 4.49Å; V940-W943 HydrophobicContact CG1-CE3 4.21Å; V940-W943 HydrophobicContact CG1-CH2 3.91Å; V940-W943 HydrophobicContact CG1-CZ2 4.45Å; V940-W943 HydrophobicContact CG1-CZ3 3.8Å; V940-W943 HydrophobicContact CG2-CH2 3.91Å; V940-W943 HydrophobicContact CG2-CZ2 4.04Å
941S67.6Low67.1Low69 Ų6957.8 Ų57.848%0.48336%0.364SS..Hα-helixtrans-67.8-33.8177.4-50.70000114.1S939 W943 V944 K945S939-S941 PolarHBondContact O-N 3.45Å; S941-W943 PolarHBondContact O-N 3.5Å; S941-V944 PolarHBondContact O-N 3.29Å; S941-V944 VanDerWaalsContact O-N 3.11Å; S941-K945 PolarHBondContact O-N 3.49Å
942D73.6Confident68.2Low52 Ų5256.6 Ų56.628%0.27834%0.338SS..Hα-helixtrans-68.5-24.5-173.9-69.2-62000112.6K903 S939 V944 K945K903-D942 PolarHBondContact NZ-O 3.31Å; S939-D942 PolarHBondContact N-OD2 2.8Å; S939-D942 PolarHBondContact O-N 3.08Å; D942-V944 VanDerWaalsContact C-N 3.28Å; D942-V944 PolarHBondContact O-N 3.48Å; D942-K945 WeakPolarHBondContact OD1-CD 3.5Å; D942-K945 IonicContact OD1-NZ 2.76Å; D942-K945 PolarHBondContact OD1-NZ 2.87Å
943W75.3Confident69.6Low13 Ų1351.3 Ų51.35%0.04931%0.31CS..Hα-helixtrans-60-42.1173.1-43.8-15.9000110.3M802 I817 K903 Y922 C926 V927 V930 L937 S939 V940 S941M802-W943 HydrophobicContact CE-CZ3 4.42Å; I817-W943 HydrophobicContact CD1-CE3 4.15Å; I817-W943 HydrophobicContact CD1-CZ3 4.2Å; K903-W943 VanDerWaalsContact CE-O 3.25Å; K903-W943 WeakPolarHBondContact CE-O 3.43Å; K903-W943 PolarHBondContact NZ-O 3.45Å; Y922-W943 WeakPolarHBondContact CE1-O 3.3Å; Y922-W943 PolarHBondContact OH-O 3.32Å; C926-W943 HydrophobicContact CB-CB 4.45Å; C926-W943 HydrophobicContact CB-CD2 3.78Å; C926-W943 HydrophobicContact CB-CE3 3.67Å; C926-W943 HydrophobicContact CB-CG 4.11Å; C926-W943 HydrophobicContact CB-CZ3 4.28Å; V927-W943 HydrophobicContact CG2-CZ3 4.21Å; V930-W943 HydrophobicContact CG2-CH2 3.31Å; V930-W943 HydrophobicContact CG2-CZ2 3.71Å; V930-W943 HydrophobicContact CG2-CZ3 4.31Å; L937-W943 HydrophobicContact CD2-CG 4.25Å; L937-W943 PolarHBondContact O-NE1 3.36Å; L937-W943 VanDerWaalsContact O-NE1 3.1Å; S939-W943 PolarHBondContact O-NE1 3Å; V940-W943 HydrophobicContact CB-CH2 4.18Å; V940-W943 HydrophobicContact CB-CZ2 4.28Å; V940-W943 HydrophobicContact CB-CZ3 4.49Å; V940-W943 HydrophobicContact CG1-CE3 4.21Å; V940-W943 HydrophobicContact CG1-CH2 3.91Å; V940-W943 HydrophobicContact CG1-CZ2 4.45Å; V940-W943 HydrophobicContact CG1-CZ3 3.8Å; V940-W943 HydrophobicContact CG2-CH2 3.91Å; V940-W943 HydrophobicContact CG2-CZ2 4.04Å; S941-W943 PolarHBondContact O-N 3.5Å
944V77Confident71.2Confident4 Ų446.1 Ų46.12%0.02428%0.276CS..Hα-helixtrans-93.8-24-174.5177.90000113F814 I817 K818 L923 S941 D942 G946 I947F814-V944 HydrophobicContact CD2-CG1 4.04Å; F814-V944 HydrophobicContact CD2-CG2 4.36Å; F814-V944 HydrophobicContact CE1-CG1 4.21Å; F814-V944 HydrophobicContact CE2-CG1 3.41Å; F814-V944 VanDerWaalsContact CE2-CG1 3.41Å; F814-V944 HydrophobicContact CE2-CG2 4.38Å; F814-V944 HydrophobicContact CZ-CG1 3.51Å; I817-V944 HydrophobicContact CB-CG2 4.43Å; I817-V944 HydrophobicContact CG2-CB 4.16Å; I817-V944 HydrophobicContact CG2-CG2 3.73Å; K818-V944 HydrophobicContact CB-CG1 4.19Å; K818-V944 HydrophobicContact CD-CG1 3.93Å; K818-V944 HydrophobicContact CG-CG1 4.27Å; L923-V944 HydrophobicContact CD2-CG2 4.22Å; S941-V944 PolarHBondContact O-N 3.29Å; S941-V944 VanDerWaalsContact O-N 3.11Å; D942-V944 VanDerWaalsContact C-N 3.28Å; D942-V944 PolarHBondContact O-N 3.48Å; V944-G946 PolarHBondContact O-N 3.32Å; V944-I947 PolarHBondContact O-N 2.95Å
945K79.2Confident73Confident124 Ų12440.6 Ų40.654%0.53925%0.247SC..THydrogen-bonded Turntrans-43.1122175.8-175.2175.1176.5-177.90112.6K903 S941 D942K903-K945 PolarHBondContact NZ-O 3.48Å; S941-K945 PolarHBondContact O-N 3.49Å; D942-K945 WeakPolarHBondContact OD1-CD 3.5Å; D942-K945 IonicContact OD1-NZ 2.76Å; D942-K945 PolarHBondContact OD1-NZ 2.87Å
946G81.4Confident74.9Confident35 Ų3533.6 Ų33.636%0.36121%0.21SC..THydrogen-bonded Turntrans96.5-8.7-175.700000115.2V944 D959V944-G946 PolarHBondContact O-N 3.32Å; G946-D959 WeakPolarHBondContact CA-OD2 3.45Å; G946-D959 PolarHBondContact N-OD2 3.28Å; G946-D959 PolarHBondContact O-N 2.84Å; G946-D959 VanDerWaalsContact O-N 3.16Å
947I86.3Confident76.6Confident2 Ų228.9 Ų28.91%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-121.7137.2-179.6-67.4172.9000111.2F814 K818 K903 L906 V944 V956 D959F814-I947 HydrophobicContact CE2-CG2 4.13Å; F814-I947 HydrophobicContact CZ-CG2 4.24Å; F814-I947 WeakPolarHBondContact CZ-O 3.4Å; K818-I947 PolarHBondContact NZ-O 2.92Å; K903-I947 HydrophobicContact CB-CD1 3.94Å; K903-I947 HydrophobicContact CB-CG1 4.32Å; K903-I947 HydrophobicContact CD-CD1 4.23Å; K903-I947 HydrophobicContact CG-CD1 3.72Å; K903-I947 HydrophobicContact CG-CG1 4.39Å; L906-I947 HydrophobicContact CD2-CD1 4.23Å; V944-I947 PolarHBondContact O-N 2.95Å; I947-V956 HydrophobicContact CG2-CG1 3.46Å; I947-V956 VanDerWaalsContact CG2-CG1 3.46Å; I947-D959 VanDerWaalsContact C-OD1 3.27Å; I947-D959 PolarHBondContact N-OD2 3.5Å
948S84.6Confident78.3Confident0 Ų028 Ų280%018%0.178CC..EExtended strand (participates in β ladder)trans-119.1159.8171.864.30000111.9I957 S958 D959 Y962S948-I957 PolarHBondContact N-O 2.77Å; S948-I957 PolarHBondContact O-N 3.19Å; S948-I957 WeakPolarHBondContact OG-CB 3.39Å; S948-I957 PolarHBondContact OG-O 3.4Å; S948-S958 PolarHBondContact OG-O 3.44Å; S948-D959 PolarHBondContact N-OD1 2.86Å; S948-Y962 VanDerWaalsContact CB-CD2 3.4Å; S948-Y962 VanDerWaalsContact OG-CD2 3.24Å; S948-Y962 WeakPolarHBondContact OG-CD2 3.48Å
949L84.9Confident79.8Confident16 Ų1629.2 Ų29.28%0.08417%0.173CC..EExtended strand (participates in β ladder)trans-123.9123.3171.1-81.3179.5000108.3F811 F814 L919 V956F811-L949 HydrophobicContact CD2-CB 4.41Å; F811-L949 HydrophobicContact CD2-CD1 3.93Å; F811-L949 HydrophobicContact CE2-CB 4.23Å; F814-L949 HydrophobicContact CB-CD1 3.93Å; F814-L949 HydrophobicContact CD1-CB 4.2Å; F814-L949 HydrophobicContact CD1-CD1 3.7Å; F814-L949 HydrophobicContact CD1-CG 4.08Å; F814-L949 HydrophobicContact CD2-CD1 3.73Å; F814-L949 HydrophobicContact CD2-CG 4.18Å; F814-L949 HydrophobicContact CE1-CB 3.88Å; F814-L949 HydrophobicContact CE1-CD1 4.06Å; F814-L949 HydrophobicContact CE1-CG 3.9Å; F814-L949 HydrophobicContact CE2-CD1 4.07Å; F814-L949 HydrophobicContact CE2-CG 3.98Å; F814-L949 HydrophobicContact CG-CD1 3.52Å; F814-L949 HydrophobicContact CG-CG 4.22Å; F814-L949 HydrophobicContact CZ-CB 4.2Å; F814-L949 HydrophobicContact CZ-CD1 4.23Å; F814-L949 HydrophobicContact CZ-CG 3.84Å; L919-L949 HydrophobicContact CD2-CD1 3.97Å; L919-L949 HydrophobicContact CD2-CD2 3.84Å; L919-L949 HydrophobicContact CD2-CG 4.08Å; L949-V956 HydrophobicContact CD2-CB 4.44Å; L949-V956 HydrophobicContact CD2-CG2 3.73Å
950C84.4Confident80.9Confident0 Ų031.9 Ų31.90%018%0.181CC..  trans-66.5139.5175.8178.60000111.9Q952 C953 S954 Q955 I957C950-Q952 PolarHBondContact SG-N 3.26Å; C950-Q952 VanDerWaalsContact SG-N 3.39Å; C950-C953 WeakPolarHBondContact CB-SG 3.45Å; C950-S954 WeakPolarHBondContact O-CA 3.49Å; C950-S954 PolarHBondContact O-N 3.18Å; C950-S954 PolarHBondContact O-OG 3.23Å; C950-S954 VanDerWaalsContact O-OG 3.11Å; C950-Q955 PolarHBondContact N-O 3.04Å; C950-I957 HydrophobicContact CB-CD1 3.7Å
951S76.3Confident82Confident70 Ų7030.6 Ų30.649%0.4917%0.173SC..THydrogen-bonded Turntrans-66.2-42.1174.546.10000113.1
952Q77.1Confident82.9Confident52 Ų5229.7 Ų29.724%0.24316%0.16CC..THydrogen-bonded Turntrans-78-58.7-177.7-76.2142-50.600112.5C950 E973C950-Q952 PolarHBondContact SG-N 3.26Å; C950-Q952 VanDerWaalsContact SG-N 3.39Å; Q952-E973 PolarHBondContact NE2-OE1 3.14Å
953C83.7Confident83.5Confident1 Ų133.1 Ų33.11%0.00718%0.178CC..THydrogen-bonded Turntrans-97-13.8-174.173.30000114.8S837 R916 C950 Q955 H965S837-C953 VanDerWaalsContact CB-CB 3.47Å; S837-C953 WeakPolarHBondContact OG-CA 3.13Å; S837-C953 VanDerWaalsContact OG-CB 3.26Å; S837-C953 WeakPolarHBondContact OG-CB 3.45Å; S837-C953 PolarHBondContact OG-O 3.45Å; R916-C953 PolarHBondContact NH2-O 3.45Å; C950-C953 WeakPolarHBondContact CB-SG 3.45Å; C953-Q955 PolarHBondContact O-N 3.13Å; C953-Q955 WeakPolarHBondContact SG-CB 3.15Å; C953-Q955 PolarHBondContact SG-N 3.41Å; C953-Q955 VanDerWaalsContact SG-N 3.36Å; C953-H965 PolarHBondContact SG-NE2 2.81Å
954S80.8Confident84Confident5 Ų537.5 Ų37.54%0.03520%0.199CC..  trans40.440-170.5-40.70000115V833 R916 C950V833-S954 WeakPolarHBondContact CG1-OG 3.36Å; R916-S954 PolarHBondContact NE-O 3.4Å; C950-S954 WeakPolarHBondContact O-CA 3.49Å; C950-S954 PolarHBondContact O-N 3.18Å; C950-S954 PolarHBondContact O-OG 3.23Å; C950-S954 VanDerWaalsContact O-OG 3.11Å
955Q87.9Confident84.5Confident0 Ų037.9 Ų37.90%020%0.2CC..  trans-65.6147.1157.6-174.8174.5-4300108.9Y839 R840 I912 Q915 C950 C953 I957 H965Y839-Q955 HydrophobicContact CD2-CG 4.08Å; Y839-Q955 HydrophobicContact CE2-CG 4.11Å; R840-Q955 PolarHBondContact O-NE2 2.66Å; I912-Q955 HydrophobicContact CD1-CB 3.99Å; I912-Q955 HydrophobicContact CD1-CG 4.45Å; I912-Q955 HydrophobicContact CG1-CB 3.96Å; I912-Q955 HydrophobicContact CG1-CG 4.06Å; Q915-Q955 VanDerWaalsContact OE1-CG 3.29Å; C950-Q955 PolarHBondContact N-O 3.04Å; C953-Q955 PolarHBondContact O-N 3.13Å; C953-Q955 WeakPolarHBondContact SG-CB 3.15Å; C953-Q955 PolarHBondContact SG-N 3.41Å; C953-Q955 VanDerWaalsContact SG-N 3.36Å; Q955-I957 HydrophobicContact CB-CD1 4.25Å; Q955-I957 HydrophobicContact CB-CG1 4.12Å; Q955-I957 HydrophobicContact CG-CG1 3.97Å; Q955-H965 PolarHBondContact OE1-CE1 3.38Å
956V87.2Confident84.8Confident0 Ų033.9 Ų33.90%019%0.185CC..EExtended strand (participates in β ladder)trans-86.5122.7170.2-171.70000108L906 Q915 L919 I947 L949L906-V956 HydrophobicContact CD2-CG1 3.91Å; L906-V956 HydrophobicContact CG-CB 4.35Å; L906-V956 HydrophobicContact CG-CG1 3.92Å; Q915-V956 HydrophobicContact CB-CB 4.21Å; Q915-V956 HydrophobicContact CB-CG2 3.77Å; Q915-V956 HydrophobicContact CG-CB 4.37Å; Q915-V956 HydrophobicContact CG-CG2 4.47Å; Q915-V956 PolarHBondContact NE2-O 2.91Å; L919-V956 HydrophobicContact CB-CG2 4.36Å; L919-V956 HydrophobicContact CD2-CG2 3.89Å; I947-V956 HydrophobicContact CG2-CG1 3.46Å; I947-V956 VanDerWaalsContact CG2-CG1 3.46Å; L949-V956 HydrophobicContact CD2-CB 4.44Å; L949-V956 HydrophobicContact CD2-CG2 3.73Å
957I87.6Confident84.9Confident1 Ų139.5 Ų39.51%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-131.4158.9-169-55.7150.9000107.7C907 S948 C950 Q955 D961 H965C907-I957 PolarHBondContact SG-O 3.35Å; S948-I957 PolarHBondContact N-O 2.77Å; S948-I957 PolarHBondContact O-N 3.19Å; S948-I957 WeakPolarHBondContact OG-CB 3.39Å; S948-I957 PolarHBondContact OG-O 3.4Å; C950-I957 HydrophobicContact CB-CD1 3.7Å; Q955-I957 HydrophobicContact CB-CD1 4.25Å; Q955-I957 HydrophobicContact CB-CG1 4.12Å; Q955-I957 HydrophobicContact CG-CG1 3.97Å; I957-D961 HydrophobicContact CG2-CB 3.68Å; I957-H965 HydrophobicContact CD1-CB 4.08Å; I957-H965 VanDerWaalsContact CD1-CD2 3.46Å; I957-H965 WeakPolarHBondContact CD1-CD2 3.46Å; I957-H965 VanDerWaalsContact CD1-CG 3.47Å; I957-H965 HydrophobicContact CG2-CB 4.49Å
958S88.8Confident84.8Confident20 Ų2039.6 Ų39.614%0.1420%0.197CC..EExtended strand (participates in β ladder)trans-69.9168.9170.878.90000111.2S948 E960 D961S948-S958 PolarHBondContact OG-O 3.44Å; S958-E960 VanDerWaalsContact C-N 3.27Å; S958-E960 PolarHBondContact OG-N 3.19Å; S958-E960 VanDerWaalsContact OG-N 3.1Å; S958-D961 WeakPolarHBondContact CB-OD2 3.13Å; S958-D961 PolarHBondContact OG-N 3.41Å; S958-D961 VanDerWaalsContact OG-N 3.08Å; S958-D961 PolarHBondContact OG-OD2 3Å
959D86.1Confident84.7Confident71 Ų7140.6 Ų40.638%0.3820%0.202SC..SBendtrans-74.1-18.2167.2-72.9-22000112.8K818 G946 I947 S948K818-D959 IonicContact NZ-OD1 2.56Å; K818-D959 PolarHBondContact NZ-OD1 3.46Å; K818-D959 IonicContact NZ-OD2 2.86Å; G946-D959 WeakPolarHBondContact CA-OD2 3.45Å; G946-D959 PolarHBondContact N-OD2 3.28Å; G946-D959 PolarHBondContact O-N 2.84Å; G946-D959 VanDerWaalsContact O-N 3.16Å; I947-D959 VanDerWaalsContact C-OD1 3.27Å; I947-D959 PolarHBondContact N-OD2 3.5Å; S948-D959 PolarHBondContact N-OD1 2.86Å
960E85.1Confident84.3Confident96 Ų9644.5 Ų44.545%0.44922%0.222SC..SBendtrans-77.3-31.3177.1-61.2-175.616700112.7R848 S958R848-E960 IonicContact NH2-OE2 2.68Å; R848-E960 PolarHBondContact NH2-OE2 3.06Å; S958-E960 VanDerWaalsContact C-N 3.27Å; S958-E960 PolarHBondContact OG-N 3.19Å; S958-E960 VanDerWaalsContact OG-N 3.1Å
961D88.1Confident84Confident11 Ų1148.9 Ų48.96%0.05925%0.245CC..SBendtrans-100.8-5.5-171.8-48.8-53.3000114.1R848 I957 S958 D963 E964 H965R848-D961 IonicContact CZ-OD1 2.65Å; R848-D961 IonicContact CZ-OD2 2.84Å; R848-D961 IonicContact NH1-OD1 3.11Å; R848-D961 PolarHBondContact NH1-OD1 3.35Å; R848-D961 IonicContact NH1-OD2 2.73Å; R848-D961 PolarHBondContact NH1-OD2 3.3Å; R848-D961 IonicContact NH2-OD1 2.97Å; R848-D961 PolarHBondContact NH2-OD1 2.84Å; R848-D961 IonicContact NH2-OD2 3.26Å; I957-D961 HydrophobicContact CG2-CB 3.68Å; S958-D961 WeakPolarHBondContact CB-OD2 3.13Å; S958-D961 PolarHBondContact OG-N 3.41Å; S958-D961 VanDerWaalsContact OG-N 3.08Å; S958-D961 PolarHBondContact OG-OD2 3Å; D961-D963 VanDerWaalsContact C-N 3.35Å; D961-D963 PolarHBondContact O-N 2.97Å; D961-E964 PolarHBondContact O-N 3.21Å; D961-H965 WeakPolarHBondContact O-CB 3.42Å; D961-H965 PolarHBondContact O-N 3.45Å
962Y86.4Confident83.5Confident51 Ų5151.2 Ų51.220%0.225%0.248CC..Hα-helixtrans-59.9-43.1-168.2-177.9-108.2000112.8S948 H965 L966S948-Y962 VanDerWaalsContact CB-CD2 3.4Å; S948-Y962 VanDerWaalsContact OG-CD2 3.24Å; S948-Y962 WeakPolarHBondContact OG-CD2 3.48Å; Y962-H965 PolarHBondContact O-N 2.81Å; Y962-L966 HydrophobicContact CD1-CD1 3.87Å; Y962-L966 HydrophobicContact CE1-CD1 3.33Å; Y962-L966 HydrophobicContact CE1-CG 4.27Å; Y962-L966 HydrophobicContact CE2-CD1 4.4Å; Y962-L966 WeakPolarHBondContact O-CB 3.19Å; Y962-L966 PolarHBondContact O-N 3.46Å
963D85.6Confident82.7Confident123 Ų12355.3 Ų55.366%0.65827%0.267SS*.Hα-helixtrans-71.8-37.9-178.5-65.2-22.3000112.3D961 L966 Y967D961-D963 VanDerWaalsContact C-N 3.35Å; D961-D963 PolarHBondContact O-N 2.97Å; D963-L966 PolarHBondContact O-N 3.1Å; D963-Y967 VanDerWaalsContact O-CB 3.32Å; D963-Y967 WeakPolarHBondContact O-CB 3.47Å; D963-Y967 PolarHBondContact O-N 3.14Å
964E86.2Confident80.9Confident106 Ų10665.3 Ų65.350%0.49532%0.32SS..Hα-helixtrans-67.8-37.8174.2-175.3175.5-145.100111.2S843 D961 G968S843-E964 WeakPolarHBondContact CB-OE2 3.46Å; S843-E964 VanDerWaalsContact OG-CD 3.25Å; S843-E964 PolarHBondContact OG-OE1 3.18Å; S843-E964 PolarHBondContact OG-OE2 3.24Å; D961-E964 PolarHBondContact O-N 3.21Å; E964-G968 PolarHBondContact O-N 3.38Å
965H87Confident80.9Confident11 Ų1168.3 Ų68.35%0.05134%0.335CS..Hα-helixtrans-65.9-43174.9-170.4103.7000111.9C953 Q955 I957 D961 Y962 G968 H969C953-H965 PolarHBondContact SG-NE2 2.81Å; Q955-H965 PolarHBondContact OE1-CE1 3.38Å; I957-H965 HydrophobicContact CD1-CB 4.08Å; I957-H965 VanDerWaalsContact CD1-CD2 3.46Å; I957-H965 WeakPolarHBondContact CD1-CD2 3.46Å; I957-H965 VanDerWaalsContact CD1-CG 3.47Å; I957-H965 HydrophobicContact CG2-CB 4.49Å; D961-H965 WeakPolarHBondContact O-CB 3.42Å; D961-H965 PolarHBondContact O-N 3.45Å; Y962-H965 PolarHBondContact O-N 2.81Å; H965-G968 PolarHBondContact O-N 3.03Å; H965-H969 AromaticContact CD2-CD2 3.61Å; H965-H969 AromaticContact CD2-NE2 3.23Å; H965-H969 PolarHBondContact CD2-NE2 3.48Å; H965-H969 AromaticContact NE2-CD2 3.81Å; H965-H969 AromaticContact NE2-CE1 3.89Å; H965-H969 AromaticContact NE2-NE2 2.93Å; H965-H969 PolarHBondContact NE2-NE2 3.07Å; H965-H969 PolarHBondContact O-CD2 3.08Å; H965-H969 VanDerWaalsContact O-CD2 3.23Å; H965-H969 PolarHBondContact O-N 2.81Å
966L85.4Confident80.5Confident41 Ų4171.9 Ų71.922%0.21535%0.352CS..Hα-helixtrans-62.5-47.5173.4-87.9174000112.2Y962 D963 G968 H969 L970Y962-L966 HydrophobicContact CD1-CD1 3.87Å; Y962-L966 HydrophobicContact CE1-CD1 3.33Å; Y962-L966 HydrophobicContact CE1-CG 4.27Å; Y962-L966 HydrophobicContact CE2-CD1 4.4Å; Y962-L966 WeakPolarHBondContact O-CB 3.19Å; Y962-L966 PolarHBondContact O-N 3.46Å; D963-L966 PolarHBondContact O-N 3.1Å; L966-G968 PolarHBondContact O-N 2.95Å; L966-H969 PolarHBondContact O-N 2.79Å; L966-L970 PolarHBondContact O-N 3.29Å
967Y84.3Confident80.2Confident153 Ų15375.9 Ų75.960%0.637%0.372SS*.Hα-helixtrans-57.5-33.6176.7-175.4-118000111.7D963 L970 I971D963-Y967 VanDerWaalsContact O-CB 3.32Å; D963-Y967 WeakPolarHBondContact O-CB 3.47Å; D963-Y967 PolarHBondContact O-N 3.14Å; Y967-L970 PolarHBondContact O-N 2.65Å; Y967-I971 HydrophobicContact CD1-CD1 3.89Å; Y967-I971 HydrophobicContact CE1-CD1 3.58Å; Y967-I971 WeakPolarHBondContact O-CG1 3.36Å; Y967-I971 PolarHBondContact O-N 3.1Å
968G82.6Confident79.7Confident3 Ų380.3 Ų80.33%0.03139%0.393CS..Hα-helixtrans-61.2-39.9171.700000115.7R840 E964 H965 L966 I971 E972R840-G968 VanDerWaalsContact CZ-CA 3.45Å; R840-G968 VanDerWaalsContact NH2-CA 3.3Å; R840-G968 PolarHBondContact NH2-O 2.92Å; R840-G968 VanDerWaalsContact NH2-O 3.1Å; E964-G968 PolarHBondContact O-N 3.38Å; H965-G968 PolarHBondContact O-N 3.03Å; L966-G968 PolarHBondContact O-N 2.95Å; G968-I971 PolarHBondContact O-N 2.95Å; G968-E972 PolarHBondContact O-N 3.22Å
969H82.5Confident79.2Confident21 Ų2184.1 Ų84.110%0.09741%0.409CS..Hα-helixtrans-71.1-36174.7-68.6-69.8000111.9H965 L966 I971 E972 E973H965-H969 AromaticContact CD2-CD2 3.61Å; H965-H969 AromaticContact CD2-NE2 3.23Å; H965-H969 PolarHBondContact CD2-NE2 3.48Å; H965-H969 AromaticContact NE2-CD2 3.81Å; H965-H969 AromaticContact NE2-CE1 3.89Å; H965-H969 AromaticContact NE2-NE2 2.93Å; H965-H969 PolarHBondContact NE2-NE2 3.07Å; H965-H969 PolarHBondContact O-CD2 3.08Å; H965-H969 VanDerWaalsContact O-CD2 3.23Å; H965-H969 PolarHBondContact O-N 2.81Å; L966-H969 PolarHBondContact O-N 2.79Å; H969-I971 PolarHBondContact O-N 2.69Å; H969-E972 CarbonylContact O-C 3.54Å; H969-E972 WeakPolarHBondContact O-CA 3.16Å; H969-E972 PolarHBondContact O-N 3.13Å; H969-E973 PolarHBondContact O-N 3.12Å; H969-E973 VanDerWaalsContact O-N 3.16Å
970L78Confident78.7Confident98 Ų9884.9 Ų84.951%0.51341%0.411SS..Hα-helixtrans-60.7-33.8175.2-64.2174.1000112.1L966 Y967 E972 E973L966-L970 PolarHBondContact O-N 3.29Å; Y967-L970 PolarHBondContact O-N 2.65Å; L970-E972 VanDerWaalsContact C-N 3.3Å; L970-E973 PolarHBondContact O-N 3.44Å
971I77.2Confident78.3Confident93 Ų9384.1 Ų84.148%0.47741%0.409SS..THydrogen-bonded Turntrans-73.8-19.5173.8-65.1163.7000112.5Y967 G968 H969Y967-I971 HydrophobicContact CD1-CD1 3.89Å; Y967-I971 HydrophobicContact CE1-CD1 3.58Å; Y967-I971 WeakPolarHBondContact O-CG1 3.36Å; Y967-I971 PolarHBondContact O-N 3.1Å; G968-I971 PolarHBondContact O-N 2.95Å; H969-I971 PolarHBondContact O-N 2.69Å
972E65.9Low77.5Confident118 Ų11889.8 Ų89.855%0.55144%0.435SS*.THydrogen-bonded Turntrans-93.8-3.8177.6-71.6174.2-136.300113R840 G968 H969 L970R840-E972 IonicContact CZ-OE1 3.95Å; R840-E972 IonicContact NE-OE1 3.89Å; R840-E972 PolarHBondContact NE-OE1 3.29Å; R840-E972 IonicContact NH2-OE1 2.84Å; R840-E972 PolarHBondContact NH2-OE1 3.09Å; G968-E972 PolarHBondContact O-N 3.22Å; H969-E972 CarbonylContact O-C 3.54Å; H969-E972 WeakPolarHBondContact O-CA 3.16Å; H969-E972 PolarHBondContact O-N 3.13Å; L970-E972 VanDerWaalsContact C-N 3.3Å
973E59.4Low76.8Confident138 Ų13893 Ų9365%0.64546%0.455SS*.  trans-99.6-9.1174-71.3180-176.900113.7Q952 H969 L970Q952-E973 PolarHBondContact NE2-OE1 3.14Å; H969-E973 PolarHBondContact O-N 3.12Å; H969-E973 VanDerWaalsContact O-N 3.16Å; L970-E973 PolarHBondContact O-N 3.44Å
974D47.1Very low76Confident211 Ų21190.3 Ų90.3100%1.12844%0.437SS*.  trans-98.40175.7-90.3-22.6000113.5

Retrieved 974 of 974 residues in 845.8 ms (Link to these results)

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