G4LXM0_SCHMA Loading...

CARD domain-containing protein

AlphaFold DB , UniProt , Accession G4LXM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 92 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
1M46.9Very low77.6Confident241 Ų241131.6 Ų131.6100%1.18773%0.725SS**  0107.20-68173.470.100107.4
2T62.4Low79.2Confident144 Ų144132.1 Ų132.188%0.88371%0.708SS**  trans-82.9115.7169.141.50000106.8S4T2-S4 PolarHBondContact O-N 3.35Å; T2-S4 VanDerWaalsContact O-N 3.17Å
3A76.3Confident80.7Confident101 Ų101121.9 Ų121.984%0.83565%0.654SS**PPolyproline II helixtrans-62.3118.9171.400000107.7L5A3-L5 PolarHBondContact O-N 3Å
4S79.6Confident81.9Confident115 Ų115117.1 Ų117.180%0.80463%0.628SS**PPolyproline II helixtrans-71.2123.7170.9520000108.4T2T2-S4 PolarHBondContact O-N 3.35Å; T2-S4 VanDerWaalsContact O-N 3.17Å
5L79.6Confident83Confident155 Ų155109.9 Ų109.981%0.81259%0.593SS**PPolyproline II helixtrans-60.5148.3169.5-69.3172.2000109.8A3 K7A3-L5 PolarHBondContact O-N 3Å; L5-K7 PolarHBondContact O-N 3.15Å
6P81Confident83.8Confident110 Ų110105.1 Ų105.171%0.71457%0.569SS**PPolyproline II helixtrans-56.9141172.224.6-32.8000109.8I8P6-I8 PolarHBondContact O-N 3.02Å
7K75.7Confident84.5Confident203 Ų203100.9 Ų100.988%0.88355%0.549SS*.PPolyproline II helixtrans-65.4122.4173.7-68.8-179.3-179.4178.90108.2L5L5-K7 PolarHBondContact O-N 3.15Å
8I80.7Confident85.1Confident113 Ų11399.6 Ų99.658%0.57954%0.541SS*.PPolyproline II helixtrans-85.5117.2170.9-60.4172.6000106.7P6 V10P6-I8 PolarHBondContact O-N 3.02Å; I8-V10 PolarHBondContact O-N 3.44Å
9E85.6Confident85.6Confident184 Ų18498.4 Ų98.486%0.8653%0.53SS*.PPolyproline II helixtrans-71.3127.7171.4-68.2-172172.600109.4M11E9-M11 PolarHBondContact O-N 2.89Å
10V90.4Very high86.2Confident16 Ų1693.6 Ų93.610%0.09750%0.504CS..PPolyproline II helixtrans-74.7120.6173.8-178.70000107.7I8 F23 F27 N30 I31 Y48I8-V10 PolarHBondContact O-N 3.44Å; V10-F23 HydrophobicContact CG1-CD2 4.3Å; V10-F23 HydrophobicContact CG1-CE2 4.12Å; V10-F27 HydrophobicContact CG1-CB 4.31Å; V10-F27 HydrophobicContact CG1-CD2 4.39Å; V10-N30 HydrophobicContact CG2-CB 3.67Å; V10-I31 HydrophobicContact CG2-CD1 4.4Å; V10-I31 HydrophobicContact CG2-CG1 3.95Å; V10-Y48 HydrophobicContact CB-CD1 4.05Å; V10-Y48 HydrophobicContact CB-CE1 3.77Å; V10-Y48 HydrophobicContact CG1-CD1 3.94Å; V10-Y48 HydrophobicContact CG1-CE1 4.19Å; V10-Y48 HydrophobicContact CG1-CG 4.2Å; V10-Y48 VanDerWaalsContact O-CE1 3.3Å; V10-Y48 WeakPolarHBondContact O-CE1 3.46Å
11M95Very high86.6Confident66 Ų6694 Ų9433%0.32550%0.499SS..PPolyproline II helixtrans-64153.4175.567.7-176.3-63.300111.3E9 K19 T22 F23E9-M11 PolarHBondContact O-N 2.89Å; M11-K19 HydrophobicContact CE-CB 3.8Å; M11-K19 HydrophobicContact CE-CD 3.56Å; M11-K19 HydrophobicContact CE-CG 3.72Å; M11-T22 HydrophobicContact SD-CG2 3.73Å; M11-F23 HydrophobicContact CG-CB 4.42Å; M11-F23 HydrophobicContact CG-CD2 4.31Å; M11-F23 WeakPolarHBondContact O-CD2 3.28Å; M11-F23 WeakPolarHBondContact O-CE2 3.26Å
12R97.5Very high88.9Confident137 Ų13787 Ų8752%0.51747%0.469SS..PPolyproline II helixtrans-73.9151.1166.4-67.8-159.6-179.4166.21.6111.5Y48 E50R12-Y48 CarbonylContact C-O 3.58Å; R12-Y48 VanDerWaalsContact CA-O 3.25Å; R12-Y48 WeakPolarHBondContact CA-O 3.32Å; R12-E50 HydrophobicContact CB-CG 4.43Å; R12-E50 WeakPolarHBondContact CD-OE2 3.25Å; R12-E50 IonicContact NH1-OE2 2.74Å; R12-E50 PolarHBondContact NH1-OE2 3.01Å
13F98.4Very high90.6Very high0 Ų080.2 Ų80.20%043%0.428CS..BIsolated β-bridgetrans-122.4115.6-178.4-177.3-119.7000111.3G15 S16 K19 F20 F23 Y48 C49 E50 A53 L76 F80F13-G15 VanDerWaalsContact CZ-CA 3.47Å; F13-S16 WeakPolarHBondContact CE2-O 2.79Å; F13-K19 HydrophobicContact CD2-CB 4.3Å; F13-K19 HydrophobicContact CE2-CB 4.42Å; F13-F20 HydrophobicContact CE1-CD2 4.29Å; F13-F20 HydrophobicContact CE2-CB 4.17Å; F13-F20 HydrophobicContact CE2-CD2 4.47Å; F13-F20 HydrophobicContact CZ-CB 4.23Å; F13-F20 AromaticContact CZ-CD2 3.83Å; F13-F20 HydrophobicContact CZ-CD2 3.83Å; F13-F23 HydrophobicContact CB-CB 4.11Å; F13-F23 HydrophobicContact CB-CD1 3.53Å; F13-F23 HydrophobicContact CB-CD2 3.56Å; F13-F23 HydrophobicContact CB-CE1 3.7Å; F13-F23 HydrophobicContact CB-CE2 3.73Å; F13-F23 HydrophobicContact CB-CG 3.44Å; F13-F23 VanDerWaalsContact CB-CG 3.44Å; F13-F23 HydrophobicContact CB-CZ 3.79Å; F13-F23 AromaticContact CD1-CD1 3.71Å; F13-F23 HydrophobicContact CD1-CD1 3.71Å; F13-F23 AromaticContact CD1-CE1 3.87Å; F13-F23 HydrophobicContact CD1-CE1 3.87Å; F13-F23 HydrophobicContact CD1-CG 4.4Å; F13-F23 HydrophobicContact CD2-CB 4.01Å; F13-F23 HydrophobicContact CD2-CD1 4.18Å; F13-F23 HydrophobicContact CD2-CG 4.15Å; F13-F23 HydrophobicContact CG-CB 4.14Å; F13-F23 AromaticContact CG-CD1 3.53Å; F13-F23 HydrophobicContact CG-CD1 3.53Å; F13-F23 HydrophobicContact CG-CD2 4.37Å; F13-F23 AromaticContact CG-CE1 3.96Å; F13-F23 HydrophobicContact CG-CE1 3.96Å; F13-F23 AromaticContact CG-CG 3.75Å; F13-F23 HydrophobicContact CG-CG 3.75Å; F13-Y48 PolarHBondContact N-O 3.12Å; F13-C49 CarbonylContact O-C 3.53Å; F13-C49 WeakPolarHBondContact O-CA 3.44Å; F13-E50 PolarHBondContact O-N 3.47Å; F13-A53 HydrophobicContact CD1-CB 3.46Å; F13-A53 VanDerWaalsContact CD1-CB 3.46Å; F13-A53 HydrophobicContact CE1-CB 3.62Å; F13-A53 HydrophobicContact CG-CB 4.37Å; F13-A53 WeakPolarHBondContact O-CB 3.46Å; F13-L76 HydrophobicContact CD1-CD2 4.35Å; F13-L76 HydrophobicContact CE1-CD2 4.04Å; F13-F80 HydrophobicContact CE1-CB 4.24Å; F13-F80 AromaticContact CE1-CD2 3.92Å; F13-F80 HydrophobicContact CE1-CD2 3.92Å; F13-F80 HydrophobicContact CE1-CG 4.18Å; F13-F80 HydrophobicContact CZ-CB 3.69Å; F13-F80 HydrophobicContact CZ-CD2 4.2Å; F13-F80 AromaticContact CZ-CG 3.98Å; F13-F80 HydrophobicContact CZ-CG 3.98Å
14D98.1Very high91.6Very high54 Ų5476.9 Ų76.929%0.28940%0.396SS..  trans-92.9-7.7-176.552.311000113.4S16 K19 E50D14-S16 WeakPolarHBondContact OD1-CB 3.34Å; D14-S16 PolarHBondContact OD1-N 3.1Å; D14-K19 IonicContact OD1-NZ 3.42Å; D14-K19 IonicContact OD2-NZ 3.97Å; D14-K19 PolarHBondContact OD2-NZ 3.25Å; D14-E50 WeakPolarHBondContact CA-O 3.33Å; D14-E50 HydrophobicContact CB-CG 4.06Å
15G97.5Very high92.3Very high10 Ų1078.2 Ų78.210%0.10339%0.387CS..SBendtrans103.60.8-170.500000114.2F13 P17 F80F13-G15 VanDerWaalsContact CZ-CA 3.47Å; G15-P17 WeakPolarHBondContact O-CD 3.49Å; G15-F80 WeakPolarHBondContact O-CD1 3.48Å
16S96.6Very high93.1Very high32 Ų3271.7 Ų71.722%0.22436%0.357CS..  trans-63.5121.2178.6177.40000112.4F13 D14 L18 K19 F20F13-S16 WeakPolarHBondContact CE2-O 2.79Å; D14-S16 WeakPolarHBondContact OD1-CB 3.34Å; D14-S16 PolarHBondContact OD1-N 3.1Å; S16-L18 PolarHBondContact O-N 3.28Å; S16-K19 PolarHBondContact O-N 3.33Å; S16-F20 PolarHBondContact O-N 3.09Å
17P95Very high93.9Very high35 Ų3566.6 Ų66.623%0.22732%0.324CS..Hα-helixtrans-55.6-37.7178.2-26.935.1000113.1G15 K19 F20 D85 I86 A89G15-P17 WeakPolarHBondContact O-CD 3.49Å; P17-K19 PolarHBondContact O-N 3.33Å; P17-F20 WeakPolarHBondContact O-CB 3.45Å; P17-F20 PolarHBondContact O-N 3.05Å; P17-D85 HydrophobicContact CG-CB 4.5Å; P17-I86 HydrophobicContact CB-CG1 3.85Å; P17-A89 HydrophobicContact CB-CB 4.24Å; P17-A89 HydrophobicContact CG-CB 4.49Å
18L95.1Very high94.8Very high77 Ų7762.6 Ų62.640%0.40331%0.307SS..Hα-helixtrans-62.4-27.1179.3-61.7-178.5000113.5S16 A89 F90S16-L18 PolarHBondContact O-N 3.28Å; L18-A89 HydrophobicContact CD2-CB 3.79Å; L18-A89 HydrophobicContact CG-CB 3.88Å; L18-F90 HydrophobicContact CD2-CB 4.36Å; L18-F90 HydrophobicContact CD2-CD1 4.13Å; L18-F90 HydrophobicContact CD2-CD2 3.37Å; L18-F90 HydrophobicContact CD2-CE1 4.27Å; L18-F90 HydrophobicContact CD2-CE2 3.52Å; L18-F90 HydrophobicContact CD2-CG 3.69Å; L18-F90 HydrophobicContact CD2-CZ 3.98Å
19K96Very high95.4Very high77 Ų7759.7 Ų59.734%0.33530%0.299SS..Hα-helixtrans-95.7-15-178.9-62.8175.2-177.2168.30112.8M11 F13 D14 S16 P17 W21 T22 F23M11-K19 HydrophobicContact CE-CB 3.8Å; M11-K19 HydrophobicContact CE-CD 3.56Å; M11-K19 HydrophobicContact CE-CG 3.72Å; F13-K19 HydrophobicContact CD2-CB 4.3Å; F13-K19 HydrophobicContact CE2-CB 4.42Å; D14-K19 IonicContact OD1-NZ 3.42Å; D14-K19 IonicContact OD2-NZ 3.97Å; D14-K19 PolarHBondContact OD2-NZ 3.25Å; S16-K19 PolarHBondContact O-N 3.33Å; P17-K19 PolarHBondContact O-N 3.33Å; K19-W21 PolarHBondContact O-N 2.7Å; K19-T22 PolarHBondContact O-N 3.16Å; K19-F23 WeakPolarHBondContact O-CB 3.38Å; K19-F23 PolarHBondContact O-N 3.21Å
20F97Very high95.8Very high2 Ų251.7 Ų51.71%0.00926%0.263CS..Hα-helixtrans-53.3-54.4-168.9174.9-98.1000113.4F13 S16 P17 T22 F23 I24 L76 H77 F80F13-F20 HydrophobicContact CE1-CD2 4.29Å; F13-F20 HydrophobicContact CE2-CB 4.17Å; F13-F20 HydrophobicContact CE2-CD2 4.47Å; F13-F20 HydrophobicContact CZ-CB 4.23Å; F13-F20 AromaticContact CZ-CD2 3.83Å; F13-F20 HydrophobicContact CZ-CD2 3.83Å; S16-F20 PolarHBondContact O-N 3.09Å; P17-F20 WeakPolarHBondContact O-CB 3.45Å; P17-F20 PolarHBondContact O-N 3.05Å; F20-T22 PolarHBondContact O-N 3.37Å; F20-F23 PolarHBondContact O-N 2.95Å; F20-I24 HydrophobicContact CD2-CG1 4.11Å; F20-I24 HydrophobicContact CE1-CG1 4.08Å; F20-I24 HydrophobicContact CE2-CD1 4.13Å; F20-I24 HydrophobicContact CE2-CG1 3.61Å; F20-I24 HydrophobicContact CZ-CD1 4.3Å; F20-I24 HydrophobicContact CZ-CG1 3.58Å; F20-I24 PolarHBondContact O-N 2.89Å; F20-L76 HydrophobicContact CE2-CB 4.03Å; F20-L76 VanDerWaalsContact CE2-O 3.23Å; F20-L76 WeakPolarHBondContact CE2-O 2.76Å; F20-H77 HydrophobicContact CZ-CB 4Å; F20-F80 WeakPolarHBondContact CB-O 3.44Å; F20-F80 HydrophobicContact CD2-CB 3.95Å
21W94.9Very high96Very high103 Ų10352 Ų5239%0.3926%0.264SS..Hα-helixtrans-68.3-35.2-176.4-73.6111.1000113K19 F23 K25 H77 I86K19-W21 PolarHBondContact O-N 2.7Å; W21-F23 VanDerWaalsContact C-N 3.35Å; W21-K25 VanDerWaalsContact O-CB 3.31Å; W21-K25 WeakPolarHBondContact O-CB 3.36Å; W21-K25 VanDerWaalsContact O-CG 3.3Å; W21-K25 WeakPolarHBondContact O-CG 3.46Å; W21-K25 PolarHBondContact O-N 2.87Å; W21-K25 VanDerWaalsContact O-N 3.09Å; W21-H77 AromaticContact CH2-NE2 3.74Å; W21-I86 VanDerWaalsContact CD1-CD1 3.41Å
22T94.9Very high96Very high93 Ų9349.3 Ų49.357%0.57125%0.251SS*.Hα-helixtrans-63.7-45.3174.8-56.50000110M11 K19 F20 G26M11-T22 HydrophobicContact SD-CG2 3.73Å; K19-T22 PolarHBondContact O-N 3.16Å; F20-T22 PolarHBondContact O-N 3.37Å; T22-G26 PolarHBondContact O-N 3.25Å
23F97.4Very high95.9Very high1 Ų148 Ų480%0.00426%0.255CS..Hα-helixtrans-61.6-55.8176.4174.9-112.3000112.3V10 M11 F13 K19 F20 W21 K25 G26 F27 L45 L76V10-F23 HydrophobicContact CG1-CD2 4.3Å; V10-F23 HydrophobicContact CG1-CE2 4.12Å; M11-F23 HydrophobicContact CG-CB 4.42Å; M11-F23 HydrophobicContact CG-CD2 4.31Å; M11-F23 WeakPolarHBondContact O-CD2 3.28Å; M11-F23 WeakPolarHBondContact O-CE2 3.26Å; F13-F23 HydrophobicContact CB-CB 4.11Å; F13-F23 HydrophobicContact CB-CD1 3.53Å; F13-F23 HydrophobicContact CB-CD2 3.56Å; F13-F23 HydrophobicContact CB-CE1 3.7Å; F13-F23 HydrophobicContact CB-CE2 3.73Å; F13-F23 HydrophobicContact CB-CG 3.44Å; F13-F23 VanDerWaalsContact CB-CG 3.44Å; F13-F23 HydrophobicContact CB-CZ 3.79Å; F13-F23 AromaticContact CD1-CD1 3.71Å; F13-F23 HydrophobicContact CD1-CD1 3.71Å; F13-F23 AromaticContact CD1-CE1 3.87Å; F13-F23 HydrophobicContact CD1-CE1 3.87Å; F13-F23 HydrophobicContact CD1-CG 4.4Å; F13-F23 HydrophobicContact CD2-CB 4.01Å; F13-F23 HydrophobicContact CD2-CD1 4.18Å; F13-F23 HydrophobicContact CD2-CG 4.15Å; F13-F23 HydrophobicContact CG-CB 4.14Å; F13-F23 AromaticContact CG-CD1 3.53Å; F13-F23 HydrophobicContact CG-CD1 3.53Å; F13-F23 HydrophobicContact CG-CD2 4.37Å; F13-F23 AromaticContact CG-CE1 3.96Å; F13-F23 HydrophobicContact CG-CE1 3.96Å; F13-F23 AromaticContact CG-CG 3.75Å; F13-F23 HydrophobicContact CG-CG 3.75Å; K19-F23 WeakPolarHBondContact O-CB 3.38Å; K19-F23 PolarHBondContact O-N 3.21Å; F20-F23 PolarHBondContact O-N 2.95Å; W21-F23 VanDerWaalsContact C-N 3.35Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 2.92Å; F23-G26 PolarHBondContact O-N 3Å; F23-F27 HydrophobicContact CE2-CB 4.42Å; F23-F27 HydrophobicContact CE2-CD2 4.43Å; F23-F27 HydrophobicContact CZ-CB 4.48Å; F23-F27 HydrophobicContact CZ-CD2 4.27Å; F23-F27 VanDerWaalsContact O-CB 3.26Å; F23-F27 WeakPolarHBondContact O-CB 3.36Å; F23-F27 PolarHBondContact O-N 3.21Å; F23-L45 HydrophobicContact CE1-CD1 3.96Å; F23-L45 HydrophobicContact CZ-CD1 4Å; F23-L76 HydrophobicContact CE1-CD1 4.31Å
24I97.1Very high95.6Very high32 Ų3256.4 Ų56.416%0.16429%0.286CS..Hα-helixtrans-60.1-43-176.2-71.4-65.4000111.8F20 K28 I73 L76F20-I24 HydrophobicContact CD2-CG1 4.11Å; F20-I24 HydrophobicContact CE1-CG1 4.08Å; F20-I24 HydrophobicContact CE2-CD1 4.13Å; F20-I24 HydrophobicContact CE2-CG1 3.61Å; F20-I24 HydrophobicContact CZ-CD1 4.3Å; F20-I24 HydrophobicContact CZ-CG1 3.58Å; F20-I24 PolarHBondContact O-N 2.89Å; I24-K28 WeakPolarHBondContact O-CB 3.28Å; I24-K28 PolarHBondContact O-N 3.31Å; I24-I73 HydrophobicContact CD1-CD1 4.27Å; I24-L76 HydrophobicContact CD1-CD1 4.23Å
25K95.4Very high95.4Very high142 Ų14254.8 Ų54.862%0.61728%0.279SS*.Hα-helixtrans-67.7-43.4177.2-71.2178.2178.7178.10111.8W21 F23 K28 A29W21-K25 VanDerWaalsContact O-CB 3.31Å; W21-K25 WeakPolarHBondContact O-CB 3.36Å; W21-K25 VanDerWaalsContact O-CG 3.3Å; W21-K25 WeakPolarHBondContact O-CG 3.46Å; W21-K25 PolarHBondContact O-N 2.87Å; W21-K25 VanDerWaalsContact O-N 3.09Å; F23-K25 VanDerWaalsContact C-N 3.34Å; F23-K25 PolarHBondContact O-N 2.92Å; K25-K28 PolarHBondContact O-N 3.06Å; K25-A29 WeakPolarHBondContact O-CB 3.27Å; K25-A29 PolarHBondContact O-N 3.39Å
26G95.7Very high95.3Very high19 Ų1963.4 Ų63.420%0.19632%0.316CS..Hα-helixtrans-62.7-46.4177.600000112.3T22 F23 N30T22-G26 PolarHBondContact O-N 3.25Å; F23-G26 PolarHBondContact O-N 3Å; G26-N30 WeakPolarHBondContact O-CB 3.34Å; G26-N30 PolarHBondContact O-N 3.18Å; G26-N30 PolarHBondContact O-ND2 3.36Å
27F97Very high95.2Very high2 Ų264.8 Ų64.81%0.00932%0.321CS..Hα-helixtrans-60.6-47.6176.6-175.8-90.4000111.3V10 F23 I31 A32 L45 Y48 Y69V10-F27 HydrophobicContact CG1-CB 4.31Å; V10-F27 HydrophobicContact CG1-CD2 4.39Å; F23-F27 HydrophobicContact CE2-CB 4.42Å; F23-F27 HydrophobicContact CE2-CD2 4.43Å; F23-F27 HydrophobicContact CZ-CB 4.48Å; F23-F27 HydrophobicContact CZ-CD2 4.27Å; F23-F27 VanDerWaalsContact O-CB 3.26Å; F23-F27 WeakPolarHBondContact O-CB 3.36Å; F23-F27 PolarHBondContact O-N 3.21Å; F27-I31 HydrophobicContact CD2-CB 4.34Å; F27-I31 HydrophobicContact CD2-CG1 4.3Å; F27-I31 HydrophobicContact CE2-CB 4.15Å; F27-I31 HydrophobicContact CE2-CG1 4.34Å; F27-I31 HydrophobicContact CE2-CG2 4.09Å; F27-I31 HydrophobicContact CZ-CB 4.28Å; F27-I31 HydrophobicContact CZ-CG2 4.01Å; F27-I31 WeakPolarHBondContact O-CA 3.4Å; F27-I31 VanDerWaalsContact O-CB 3.32Å; F27-I31 WeakPolarHBondContact O-CB 3.46Å; F27-I31 PolarHBondContact O-N 3.21Å; F27-A32 HydrophobicContact CD1-CB 4.2Å; F27-A32 HydrophobicContact CE1-CB 4Å; F27-A32 PolarHBondContact O-N 3.45Å; F27-L45 HydrophobicContact CD1-CD1 4Å; F27-L45 HydrophobicContact CD2-CD1 4.16Å; F27-L45 HydrophobicContact CE1-CB 4.19Å; F27-L45 HydrophobicContact CE1-CD1 3.89Å; F27-L45 VanDerWaalsContact CE2-CA 3.49Å; F27-L45 HydrophobicContact CE2-CB 4.08Å; F27-L45 HydrophobicContact CE2-CD1 4.05Å; F27-L45 HydrophobicContact CG-CD1 4.14Å; F27-L45 HydrophobicContact CZ-CB 3.64Å; F27-L45 HydrophobicContact CZ-CD1 3.92Å; F27-L45 HydrophobicContact CZ-CG 4.39Å; F27-Y48 HydrophobicContact CD2-CD2 4.4Å; F27-Y48 HydrophobicContact CE2-CD2 4.2Å; F27-Y69 HydrophobicContact CE1-CE2 4.09Å
28K96.2Very high95.3Very high119 Ų11965.1 Ų65.152%0.51732%0.321SS..Hα-helixtrans-57.8-56.4178.2-176.2-178.2175.7-174.90111.7I24 K25 N30 A32 D33I24-K28 WeakPolarHBondContact O-CB 3.28Å; I24-K28 PolarHBondContact O-N 3.31Å; K25-K28 PolarHBondContact O-N 3.06Å; K28-N30 VanDerWaalsContact C-N 3.34Å; K28-N30 PolarHBondContact O-N 3.03Å; K28-A32 PolarHBondContact O-N 3.38Å; K28-D33 WeakPolarHBondContact CE-OD1 3.36Å; K28-D33 WeakPolarHBondContact CG-OD1 3.23Å; K28-D33 WeakPolarHBondContact O-CB 3.41Å; K28-D33 PolarHBondContact O-N 3.39Å
29A93.5Very high95.3Very high52 Ų5263.6 Ų63.643%0.4332%0.315SS..Hα-helixtrans-68.6-29.7-172.700000114K25K25-A29 WeakPolarHBondContact O-CB 3.27Å; K25-A29 PolarHBondContact O-N 3.39Å
30N93.1Very high95.4Very high17 Ų1764.9 Ų64.99%0.09132%0.322CS..Hα-helixtrans-101.3-22.5-174.9-67.1-75000114V10 G26 K28 R34V10-N30 HydrophobicContact CG2-CB 3.67Å; G26-N30 WeakPolarHBondContact O-CB 3.34Å; G26-N30 PolarHBondContact O-N 3.18Å; G26-N30 PolarHBondContact O-ND2 3.36Å; K28-N30 VanDerWaalsContact C-N 3.34Å; K28-N30 PolarHBondContact O-N 3.03Å; N30-R34 WeakPolarHBondContact O-CD 3.1Å; N30-R34 PolarHBondContact O-NH1 3.26Å
31I94.1Very high95.4Very high23 Ų2366.2 Ų66.212%0.11833%0.328CS..THydrogen-bonded Turntrans-125-65.4-175.6-50.5-66000110.6V10 F27 D33 R34 V35 Y44 Y48V10-I31 HydrophobicContact CG2-CD1 4.4Å; V10-I31 HydrophobicContact CG2-CG1 3.95Å; F27-I31 HydrophobicContact CD2-CB 4.34Å; F27-I31 HydrophobicContact CD2-CG1 4.3Å; F27-I31 HydrophobicContact CE2-CB 4.15Å; F27-I31 HydrophobicContact CE2-CG1 4.34Å; F27-I31 HydrophobicContact CE2-CG2 4.09Å; F27-I31 HydrophobicContact CZ-CB 4.28Å; F27-I31 HydrophobicContact CZ-CG2 4.01Å; F27-I31 WeakPolarHBondContact O-CA 3.4Å; F27-I31 VanDerWaalsContact O-CB 3.32Å; F27-I31 WeakPolarHBondContact O-CB 3.46Å; F27-I31 PolarHBondContact O-N 3.21Å; I31-D33 VanDerWaalsContact C-N 3.33Å; I31-D33 PolarHBondContact O-N 2.96Å; I31-R34 WeakPolarHBondContact O-CA 3.4Å; I31-R34 PolarHBondContact O-N 3.31Å; I31-V35 HydrophobicContact CG2-CG2 4.27Å; I31-V35 WeakPolarHBondContact O-CG2 3.05Å; I31-V35 PolarHBondContact O-N 3.1Å; I31-Y44 HydrophobicContact CG2-CD1 4.47Å; I31-Y44 HydrophobicContact CG2-CD2 3.9Å; I31-Y44 HydrophobicContact CG2-CG 3.8Å; I31-Y48 HydrophobicContact CD1-CE2 4.27Å; I31-Y48 HydrophobicContact CG1-CE2 4.4Å
32A95.5Very high95.5Very high8 Ų861.6 Ų61.67%0.06631%0.311CS..G310 helixtrans-61.8-38.4-167.800000113.4F27 K28 R34 K41 Y69F27-A32 HydrophobicContact CD1-CB 4.2Å; F27-A32 HydrophobicContact CE1-CB 4Å; F27-A32 PolarHBondContact O-N 3.45Å; K28-A32 PolarHBondContact O-N 3.38Å; A32-R34 PolarHBondContact O-N 3.49Å; A32-K41 HydrophobicContact CB-CD 4.46Å; A32-K41 WeakPolarHBondContact O-CE 3.3Å; A32-Y69 WeakPolarHBondContact CB-OH 3.47Å
33D94.9Very high95.7Very high109 Ų10961.4 Ų61.458%0.58331%0.305SS*.G310 helixtrans-73.8-7.1178.1-67.7-15.9000112.9K28 I31K28-D33 WeakPolarHBondContact CE-OD1 3.36Å; K28-D33 WeakPolarHBondContact CG-OD1 3.23Å; K28-D33 WeakPolarHBondContact O-CB 3.41Å; K28-D33 PolarHBondContact O-N 3.39Å; I31-D33 VanDerWaalsContact C-N 3.33Å; I31-D33 PolarHBondContact O-N 2.96Å
34R93.3Very high95.7Very high177 Ų17766.5 Ų66.567%0.66832%0.324SS*.G310 helixtrans-111.5-3.7-179.3-58.3-173.4-176.1156.6-0.6114N30 I31 A32N30-R34 WeakPolarHBondContact O-CD 3.1Å; N30-R34 PolarHBondContact O-NH1 3.26Å; I31-R34 WeakPolarHBondContact O-CA 3.4Å; I31-R34 PolarHBondContact O-N 3.31Å; A32-R34 PolarHBondContact O-N 3.49Å
35V93.9Very high95.8Very high21 Ų2165 Ų6513%0.12732%0.317CS..  trans-117127.5-178.9176.40000107I31 D37 Q40 K41 Y44I31-V35 HydrophobicContact CG2-CG2 4.27Å; I31-V35 WeakPolarHBondContact O-CG2 3.05Å; I31-V35 PolarHBondContact O-N 3.1Å; V35-D37 WeakPolarHBondContact CG1-O 3.47Å; V35-Q40 HydrophobicContact CG1-CB 3.49Å; V35-Q40 VanDerWaalsContact CG1-CB 3.49Å; V35-K41 HydrophobicContact CB-CG 3.96Å; V35-K41 HydrophobicContact CG1-CG 3.86Å; V35-K41 WeakPolarHBondContact O-CE 3.41Å; V35-Y44 HydrophobicContact CG2-CD2 4.36Å; V35-Y44 HydrophobicContact CG2-CE2 4.29Å
36E94.7Very high95.9Very high190 Ų19059.2 Ų59.289%0.88829%0.292SS*.  trans-81.6-43.2179.4-68.1-176.8175.600111.3K41E36-K41 PolarHBondContact O-NZ 3.34Å
37D95.2Very high96Very high62 Ų6263.9 Ų63.933%0.33231%0.309SS..  trans-74.8125.7-175174.654000113.1V35 T39 Q40 K41V35-D37 WeakPolarHBondContact CG1-O 3.47Å; D37-T39 VanDerWaalsContact C-N 3.3Å; D37-T39 PolarHBondContact O-N 2.86Å; D37-T39 PolarHBondContact OD1-N 2.89Å; D37-T39 VanDerWaalsContact OD2-CB 3.28Å; D37-T39 WeakPolarHBondContact OD2-CB 3.3Å; D37-T39 PolarHBondContact OD2-N 2.89Å; D37-Q40 HydrophobicContact CB-CB 4.18Å; D37-Q40 HydrophobicContact CB-CG 4.26Å; D37-Q40 PolarHBondContact O-N 2.9Å; D37-Q40 WeakPolarHBondContact OD2-CB 3.31Å; D37-Q40 VanDerWaalsContact OD2-CG 3.3Å; D37-Q40 WeakPolarHBondContact OD2-CG 3.33Å; D37-Q40 PolarHBondContact OD2-N 3.23Å; D37-K41 WeakPolarHBondContact O-CG 3.34Å; D37-K41 PolarHBondContact O-N 3.06Å
38D96.2Very high96.1Very high42 Ų4266.3 Ų66.323%0.22532%0.318CS..Hα-helixtrans-69.1-29.6-178.9-74.2-19.6000112.2K41 L42 E65D38-K41 PolarHBondContact O-N 3.09Å; D38-K41 IonicContact OD1-NZ 3.35Å; D38-K41 PolarHBondContact OD1-NZ 3.09Å; D38-L42 WeakPolarHBondContact O-CB 3.37Å; D38-L42 PolarHBondContact O-N 3Å; D38-E65 WeakPolarHBondContact CB-O 3.18Å
39T96.4Very high96.2Very high44 Ų4460.8 Ų60.827%0.2730%0.295SS..Hα-helixtrans-64.5-46.3174.4-57.70000110.4D37 K41 L42 M43D37-T39 VanDerWaalsContact C-N 3.3Å; D37-T39 PolarHBondContact O-N 2.86Å; D37-T39 PolarHBondContact OD1-N 2.89Å; D37-T39 VanDerWaalsContact OD2-CB 3.28Å; D37-T39 WeakPolarHBondContact OD2-CB 3.3Å; D37-T39 PolarHBondContact OD2-N 2.89Å; T39-K41 PolarHBondContact O-N 3.26Å; T39-L42 WeakPolarHBondContact O-CB 3.46Å; T39-L42 PolarHBondContact O-N 2.94Å; T39-M43 HydrophobicContact CG2-CE 4.22Å; T39-M43 WeakPolarHBondContact O-CG 3.44Å; T39-M43 PolarHBondContact O-N 3.43Å
40Q96.7Very high96.4Very high105 Ų10561.7 Ų61.749%0.49129%0.29SS..Hα-helixtrans-61.4-42.9174-77.9-179.5-8.900112.2V35 D37 L42 M43 Y44V35-Q40 HydrophobicContact CG1-CB 3.49Å; V35-Q40 VanDerWaalsContact CG1-CB 3.49Å; D37-Q40 HydrophobicContact CB-CB 4.18Å; D37-Q40 HydrophobicContact CB-CG 4.26Å; D37-Q40 PolarHBondContact O-N 2.9Å; D37-Q40 WeakPolarHBondContact OD2-CB 3.31Å; D37-Q40 VanDerWaalsContact OD2-CG 3.3Å; D37-Q40 WeakPolarHBondContact OD2-CG 3.33Å; D37-Q40 PolarHBondContact OD2-N 3.23Å; Q40-L42 VanDerWaalsContact C-N 3.3Å; Q40-L42 PolarHBondContact O-N 3.2Å; Q40-M43 PolarHBondContact O-N 3.08Å; Q40-Y44 VanDerWaalsContact O-CD2 3.23Å; Q40-Y44 WeakPolarHBondContact O-CD2 3.46Å; Q40-Y44 PolarHBondContact O-N 3.35Å
41K97.4Very high96.6Very high30 Ų3063 Ų6313%0.1331%0.308CS..Hα-helixtrans-57.4-44.5174.3-68.5174.7-160.2149.60111.3A32 V35 E36 D37 D38 T39 Y44 L45 Y69A32-K41 HydrophobicContact CB-CD 4.46Å; A32-K41 WeakPolarHBondContact O-CE 3.3Å; V35-K41 HydrophobicContact CB-CG 3.96Å; V35-K41 HydrophobicContact CG1-CG 3.86Å; V35-K41 WeakPolarHBondContact O-CE 3.41Å; E36-K41 PolarHBondContact O-NZ 3.34Å; D37-K41 WeakPolarHBondContact O-CG 3.34Å; D37-K41 PolarHBondContact O-N 3.06Å; D38-K41 PolarHBondContact O-N 3.09Å; D38-K41 IonicContact OD1-NZ 3.35Å; D38-K41 PolarHBondContact OD1-NZ 3.09Å; T39-K41 PolarHBondContact O-N 3.26Å; K41-Y44 PolarHBondContact O-N 3.48Å; K41-L45 WeakPolarHBondContact O-CB 3.47Å; K41-L45 PolarHBondContact O-N 3.41Å; K41-Y69 HydrophobicContact CB-CD1 4.28Å; K41-Y69 HydrophobicContact CB-CD2 3.66Å; K41-Y69 HydrophobicContact CB-CE1 4.39Å; K41-Y69 HydrophobicContact CB-CE2 3.8Å; K41-Y69 HydrophobicContact CB-CG 3.92Å; K41-Y69 HydrophobicContact CD-CD1 3.99Å; K41-Y69 HydrophobicContact CD-CE1 3.8Å; K41-Y69 HydrophobicContact CD-CG 4.47Å
42L98.2Very high96.8Very high6 Ų664.6 Ų64.63%0.03133%0.325CS..Hα-helixtrans-62.3-46.2177176.861.7000111.9D38 T39 Q40 Y44 L45 I46 C60 V61 A72D38-L42 WeakPolarHBondContact O-CB 3.37Å; D38-L42 PolarHBondContact O-N 3Å; T39-L42 WeakPolarHBondContact O-CB 3.46Å; T39-L42 PolarHBondContact O-N 2.94Å; Q40-L42 VanDerWaalsContact C-N 3.3Å; Q40-L42 PolarHBondContact O-N 3.2Å; L42-Y44 VanDerWaalsContact C-N 3.34Å; L42-Y44 PolarHBondContact O-N 2.99Å; L42-L45 WeakPolarHBondContact O-CB 3.34Å; L42-L45 PolarHBondContact O-N 3.48Å; L42-L45 VanDerWaalsContact O-N 3.12Å; L42-I46 HydrophobicContact CD1-CD1 3.86Å; L42-I46 HydrophobicContact CD1-CG1 4.15Å; L42-I46 HydrophobicContact CG-CD1 3.9Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.22Å; L42-C60 HydrophobicContact CD1-CB 4.07Å; L42-C60 HydrophobicContact CD2-CB 4.34Å; L42-V61 HydrophobicContact CD2-CG1 4.11Å; L42-V61 HydrophobicContact CG-CG1 4.46Å; L42-A72 HydrophobicContact CD1-CB 3.65Å
43M97.9Very high97Very high89 Ų8964.2 Ų64.244%0.43832%0.321SS..Hα-helixtrans-61.3-42.4179.2-66.2-57.1141.100112T39 Q40 I46 H47 V61T39-M43 HydrophobicContact CG2-CE 4.22Å; T39-M43 WeakPolarHBondContact O-CG 3.44Å; T39-M43 PolarHBondContact O-N 3.43Å; Q40-M43 PolarHBondContact O-N 3.08Å; M43-I46 PolarHBondContact O-N 2.84Å; M43-H47 WeakPolarHBondContact O-CB 3.29Å; M43-H47 PolarHBondContact O-N 3.21Å; M43-V61 HydrophobicContact CE-CB 4Å; M43-V61 HydrophobicContact CE-CG1 3.47Å; M43-V61 VanDerWaalsContact CE-CG1 3.47Å; M43-V61 HydrophobicContact SD-CG1 4.25Å
44Y97.8Very high97.2Very high107 Ų10762.9 Ų62.942%0.4231%0.31SS..Hα-helixtrans-63.8-42.5172.7-81-64.4000112I31 V35 Q40 K41 L42 I46 H47 Y48I31-Y44 HydrophobicContact CG2-CD1 4.47Å; I31-Y44 HydrophobicContact CG2-CD2 3.9Å; I31-Y44 HydrophobicContact CG2-CG 3.8Å; V35-Y44 HydrophobicContact CG2-CD2 4.36Å; V35-Y44 HydrophobicContact CG2-CE2 4.29Å; Q40-Y44 VanDerWaalsContact O-CD2 3.23Å; Q40-Y44 WeakPolarHBondContact O-CD2 3.46Å; Q40-Y44 PolarHBondContact O-N 3.35Å; K41-Y44 PolarHBondContact O-N 3.48Å; L42-Y44 VanDerWaalsContact C-N 3.34Å; L42-Y44 PolarHBondContact O-N 2.99Å; Y44-I46 VanDerWaalsContact C-N 3.32Å; Y44-I46 PolarHBondContact O-N 2.99Å; Y44-H47 WeakPolarHBondContact O-CB 3.39Å; Y44-H47 PolarHBondContact O-N 3.46Å; Y44-H47 VanDerWaalsContact O-N 3.14Å; Y44-Y48 HydrophobicContact CD1-CE2 4.21Å; Y44-Y48 VanDerWaalsContact O-CD2 3.29Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.26Å; Y44-Y48 PolarHBondContact O-N 3.39Å
45L98.1Very high97.4Very high0 Ų059.3 Ų59.30%031%0.305CS..Hα-helixtrans-58.9-46.1179.1-173.265.2000110.9F23 F27 K41 L42 H47 Y48 C49 I57 Y69 A72 I73 L76F23-L45 HydrophobicContact CE1-CD1 3.96Å; F23-L45 HydrophobicContact CZ-CD1 4Å; F27-L45 HydrophobicContact CD1-CD1 4Å; F27-L45 HydrophobicContact CD2-CD1 4.16Å; F27-L45 HydrophobicContact CE1-CB 4.19Å; F27-L45 HydrophobicContact CE1-CD1 3.89Å; F27-L45 VanDerWaalsContact CE2-CA 3.49Å; F27-L45 HydrophobicContact CE2-CB 4.08Å; F27-L45 HydrophobicContact CE2-CD1 4.05Å; F27-L45 HydrophobicContact CG-CD1 4.14Å; F27-L45 HydrophobicContact CZ-CB 3.64Å; F27-L45 HydrophobicContact CZ-CD1 3.92Å; F27-L45 HydrophobicContact CZ-CG 4.39Å; K41-L45 WeakPolarHBondContact O-CB 3.47Å; K41-L45 PolarHBondContact O-N 3.41Å; L42-L45 WeakPolarHBondContact O-CB 3.34Å; L42-L45 PolarHBondContact O-N 3.48Å; L42-L45 VanDerWaalsContact O-N 3.12Å; L45-H47 VanDerWaalsContact C-N 3.35Å; L45-H47 PolarHBondContact O-N 3.5Å; L45-Y48 PolarHBondContact O-N 3.31Å; L45-C49 PolarHBondContact O-N 3.46Å; L45-C49 PolarHBondContact O-SG 3Å; L45-I57 HydrophobicContact CD2-CD1 4.05Å; L45-I57 HydrophobicContact CG-CD1 3.8Å; L45-Y69 HydrophobicContact CD2-CD2 4.26Å; L45-Y69 HydrophobicContact CD2-CE2 4.15Å; L45-A72 HydrophobicContact CD2-CB 3.76Å; L45-I73 HydrophobicContact CD1-CD1 4.27Å; L45-I73 HydrophobicContact CD2-CD1 3.75Å; L45-I73 HydrophobicContact CD2-CG1 4.19Å; L45-L76 HydrophobicContact CD1-CD1 3.91Å; L45-L76 HydrophobicContact CD2-CD1 4.06Å; L45-L76 HydrophobicContact CG-CD1 4.19Å
46I98.2Very high97.6Very high21 Ų2158.9 Ų58.911%0.10830%0.303CS..Hα-helixtrans-63.4-39.5175.4-67.2167.2000111.5L42 M43 Y44 Y48 C49 K54 I57 V61L42-I46 HydrophobicContact CD1-CD1 3.86Å; L42-I46 HydrophobicContact CD1-CG1 4.15Å; L42-I46 HydrophobicContact CG-CD1 3.9Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.22Å; M43-I46 PolarHBondContact O-N 2.84Å; Y44-I46 VanDerWaalsContact C-N 3.32Å; Y44-I46 PolarHBondContact O-N 2.99Å; I46-Y48 VanDerWaalsContact C-N 3.34Å; I46-Y48 PolarHBondContact O-N 3.27Å; I46-C49 PolarHBondContact O-N 3.43Å; I46-C49 VanDerWaalsContact O-O 3.14Å; I46-K54 HydrophobicContact CG2-CG 4.34Å; I46-I57 HydrophobicContact CG1-CD1 4.02Å; I46-I57 HydrophobicContact CG1-CG1 4.1Å; I46-V61 HydrophobicContact CD1-CG1 3.25Å
47H98.1Very high97.8Very high117 Ų11749.9 Ų49.954%0.54226%0.261SS..Hα-helixtrans-63.5-38.4178.6179.179.6000113M43 Y44 L45M43-H47 WeakPolarHBondContact O-CB 3.29Å; M43-H47 PolarHBondContact O-N 3.21Å; Y44-H47 WeakPolarHBondContact O-CB 3.39Å; Y44-H47 PolarHBondContact O-N 3.46Å; Y44-H47 VanDerWaalsContact O-N 3.14Å; L45-H47 VanDerWaalsContact C-N 3.35Å; L45-H47 PolarHBondContact O-N 3.5Å
48Y98.1Very high98Very high53 Ų5351.5 Ų51.521%0.20827%0.267CS..Hα-helixtrans-86-13.9179.5-78.9-78.8000113.7V10 R12 F13 F27 I31 Y44 L45 I46V10-Y48 HydrophobicContact CB-CD1 4.05Å; V10-Y48 HydrophobicContact CB-CE1 3.77Å; V10-Y48 HydrophobicContact CG1-CD1 3.94Å; V10-Y48 HydrophobicContact CG1-CE1 4.19Å; V10-Y48 HydrophobicContact CG1-CG 4.2Å; V10-Y48 VanDerWaalsContact O-CE1 3.3Å; V10-Y48 WeakPolarHBondContact O-CE1 3.46Å; R12-Y48 CarbonylContact C-O 3.58Å; R12-Y48 VanDerWaalsContact CA-O 3.25Å; R12-Y48 WeakPolarHBondContact CA-O 3.32Å; F13-Y48 PolarHBondContact N-O 3.12Å; F27-Y48 HydrophobicContact CD2-CD2 4.4Å; F27-Y48 HydrophobicContact CE2-CD2 4.2Å; I31-Y48 HydrophobicContact CD1-CE2 4.27Å; I31-Y48 HydrophobicContact CG1-CE2 4.4Å; Y44-Y48 HydrophobicContact CD1-CE2 4.21Å; Y44-Y48 VanDerWaalsContact O-CD2 3.29Å; Y44-Y48 WeakPolarHBondContact O-CD2 3.26Å; Y44-Y48 PolarHBondContact O-N 3.39Å; L45-Y48 PolarHBondContact O-N 3.31Å; I46-Y48 VanDerWaalsContact C-N 3.34Å; I46-Y48 PolarHBondContact O-N 3.27Å
49C98.5Very high98.1Very high4 Ų454.1 Ų54.13%0.02728%0.277CS..BIsolated β-bridgetrans-83.1148.1169.1-65.80000110.9F13 L45 I46 A53 K54 I57F13-C49 CarbonylContact O-C 3.53Å; F13-C49 WeakPolarHBondContact O-CA 3.44Å; L45-C49 PolarHBondContact O-N 3.46Å; L45-C49 PolarHBondContact O-SG 3Å; I46-C49 PolarHBondContact O-N 3.43Å; I46-C49 VanDerWaalsContact O-O 3.14Å; C49-A53 HydrophobicContact CB-CB 4.14Å; C49-K54 HydrophobicContact CB-CB 4Å; C49-I57 HydrophobicContact CB-CD1 4.2Å
50E98.4Very high98.1Very high70 Ų7052 Ų5233%0.32726%0.264SS..  trans-141.1166172.863.6-170.8-174.100110.4R12 F13 D14 A52 A53 K54R12-E50 HydrophobicContact CB-CG 4.43Å; R12-E50 WeakPolarHBondContact CD-OE2 3.25Å; R12-E50 IonicContact NH1-OE2 2.74Å; R12-E50 PolarHBondContact NH1-OE2 3.01Å; F13-E50 PolarHBondContact O-N 3.47Å; D14-E50 WeakPolarHBondContact CA-O 3.33Å; D14-E50 HydrophobicContact CB-CG 4.06Å; E50-A52 PolarHBondContact O-N 3.18Å; E50-A53 PolarHBondContact O-N 3.31Å; E50-K54 PolarHBondContact O-N 3.06Å
51G98.2Very high98.2Very high46 Ų4650.1 Ų50.147%0.47426%0.26SS..Hα-helixtrans50.8-135.2-179.700000113.3A53 K54 D55G51-A53 PolarHBondContact O-N 3.42Å; G51-K54 PolarHBondContact O-N 3.35Å; G51-D55 PolarHBondContact O-N 3.41Å
52A98Very high98.2Very high56 Ų5655.9 Ų55.946%0.46329%0.291SS..Hα-helixtrans-56.9-36-175.300000113.2E50 A56 F80E50-A52 PolarHBondContact O-N 3.18Å; A52-A56 VanDerWaalsContact O-CB 3.29Å; A52-A56 WeakPolarHBondContact O-CB 3.44Å; A52-A56 PolarHBondContact O-N 3.03Å; A52-A56 VanDerWaalsContact O-N 3.08Å; A52-F80 HydrophobicContact CB-CE1 4.37Å; A52-F80 HydrophobicContact CB-CZ 4.32Å
53A98.6Very high98.1Very high0 Ų058.7 Ų58.70%031%0.306CS..Hα-helixtrans-66-40.1177.300000112.4F13 C49 E50 G51 I57 L76 F80F13-A53 HydrophobicContact CD1-CB 3.46Å; F13-A53 VanDerWaalsContact CD1-CB 3.46Å; F13-A53 HydrophobicContact CE1-CB 3.62Å; F13-A53 HydrophobicContact CG-CB 4.37Å; F13-A53 WeakPolarHBondContact O-CB 3.46Å; C49-A53 HydrophobicContact CB-CB 4.14Å; E50-A53 PolarHBondContact O-N 3.31Å; G51-A53 PolarHBondContact O-N 3.42Å; A53-I57 WeakPolarHBondContact O-CG1 3.32Å; A53-L76 HydrophobicContact CB-CD2 4.17Å; A53-F80 HydrophobicContact CB-CE2 4.16Å; A53-F80 HydrophobicContact CB-CZ 4.47Å
54K98.7Very high98Very high81 Ų8157.9 Ų57.935%0.35231%0.308SS..Hα-helixtrans-68.9-48.1178.4-176.4175.8174.5-176.70111.2I46 C49 E50 G51 A56 I57 E58I46-K54 HydrophobicContact CG2-CG 4.34Å; C49-K54 HydrophobicContact CB-CB 4Å; E50-K54 PolarHBondContact O-N 3.06Å; G51-K54 PolarHBondContact O-N 3.35Å; K54-A56 PolarHBondContact O-N 3.15Å; K54-I57 PolarHBondContact O-N 2.93Å; K54-E58 WeakPolarHBondContact O-CB 3.41Å; K54-E58 PolarHBondContact O-N 3.23Å
55D98.6Very high97.4Very high102 Ų10259.5 Ų59.555%0.54532%0.319SS..Hα-helixtrans-56.9-36.7179-61-12.4000110.9G51 I57G51-D55 PolarHBondContact O-N 3.41Å; D55-I57 VanDerWaalsContact C-N 3.3Å; D55-I57 PolarHBondContact O-N 3.48Å
56A98.5Very high97Very high12 Ų1269.3 Ų69.310%0.09936%0.356CS..Hα-helixtrans-66.3-25.7178.100000114A52 K54 H59 I75 F80A52-A56 VanDerWaalsContact O-CB 3.29Å; A52-A56 WeakPolarHBondContact O-CB 3.44Å; A52-A56 PolarHBondContact O-N 3.03Å; A52-A56 VanDerWaalsContact O-N 3.08Å; K54-A56 PolarHBondContact O-N 3.15Å; A56-H59 PolarHBondContact O-CE1 2.91Å; A56-H59 PolarHBondContact O-ND1 2.81Å; A56-I75 HydrophobicContact CB-CG2 3.92Å; A56-F80 HydrophobicContact CB-CE2 4.13Å; A56-F80 HydrophobicContact CB-CZ 4.3Å
57I98.5Very high96.9Very high0 Ų073.8 Ų73.80%038%0.377CS..Hα-helixtrans-121.9-13.5-172.368.5169.8000115L45 I46 C49 A53 K54 D55 H59 C60 A72 I75 L76L45-I57 HydrophobicContact CD2-CD1 4.05Å; L45-I57 HydrophobicContact CG-CD1 3.8Å; I46-I57 HydrophobicContact CG1-CD1 4.02Å; I46-I57 HydrophobicContact CG1-CG1 4.1Å; C49-I57 HydrophobicContact CB-CD1 4.2Å; A53-I57 WeakPolarHBondContact O-CG1 3.32Å; K54-I57 PolarHBondContact O-N 2.93Å; D55-I57 VanDerWaalsContact C-N 3.3Å; D55-I57 PolarHBondContact O-N 3.48Å; I57-H59 PolarHBondContact O-N 3.37Å; I57-H59 VanDerWaalsContact O-N 3.14Å; I57-C60 WeakPolarHBondContact O-CB 3.5Å; I57-C60 PolarHBondContact O-N 2.77Å; I57-C60 PolarHBondContact O-SG 3.05Å; I57-A72 HydrophobicContact CB-CB 3.98Å; I57-A72 HydrophobicContact CD1-CB 4.47Å; I57-A72 HydrophobicContact CG2-CB 4.11Å; I57-I75 HydrophobicContact CG2-CB 4.19Å; I57-I75 HydrophobicContact CG2-CG2 4.02Å; I57-L76 HydrophobicContact CD1-CD1 4.37Å; I57-L76 HydrophobicContact CG2-CD2 3.73Å; I57-L76 HydrophobicContact CG2-CG 3.82Å
58E98.2Very high96.8Very high97 Ų9768.3 Ų68.345%0.45335%0.351SS..G310 helixtrans-59.2-32.5-17362172.7-168.300112.9K54 C60 V61K54-E58 WeakPolarHBondContact O-CB 3.41Å; K54-E58 PolarHBondContact O-N 3.23Å; E58-C60 PolarHBondContact O-N 2.91Å; E58-V61 WeakPolarHBondContact O-CG1 3.32Å; E58-V61 VanDerWaalsContact O-CG2 3.25Å; E58-V61 WeakPolarHBondContact O-CG2 3.38Å; E58-V61 PolarHBondContact O-N 3.38Å
59H98.2Very high96.8Very high96 Ų9667.5 Ų67.544%0.44435%0.348SS..G310 helixtrans-69.1-14.4177.867-90.3000113.6A56 I57 V61 L62A56-H59 PolarHBondContact O-CE1 2.91Å; A56-H59 PolarHBondContact O-ND1 2.81Å; I57-H59 PolarHBondContact O-N 3.37Å; I57-H59 VanDerWaalsContact O-N 3.14Å; H59-V61 PolarHBondContact O-N 2.92Å; H59-V61 VanDerWaalsContact O-N 3.13Å; H59-L62 WeakPolarHBondContact O-CB 3.49Å; H59-L62 WeakPolarHBondContact O-CG 3.41Å; H59-L62 PolarHBondContact O-N 3.04Å; H59-L62 VanDerWaalsContact O-N 3.1Å
60C98.2Very high96.8Very high0 Ų071.6 Ų71.60%037%0.373CS..G310 helixtrans-64.5-15.9177.7-66.80000112.6L42 I57 E58 L62 L63 G68 A72L42-C60 HydrophobicContact CD1-CB 4.07Å; L42-C60 HydrophobicContact CD2-CB 4.34Å; I57-C60 WeakPolarHBondContact O-CB 3.5Å; I57-C60 PolarHBondContact O-N 2.77Å; I57-C60 PolarHBondContact O-SG 3.05Å; E58-C60 PolarHBondContact O-N 2.91Å; C60-L62 PolarHBondContact O-N 3.23Å; C60-L63 HydrophobicContact CB-CD1 4.28Å; C60-L63 WeakPolarHBondContact O-CB 3.42Å; C60-L63 PolarHBondContact O-N 2.92Å; C60-L63 VanDerWaalsContact O-N 3.13Å; C60-G68 WeakPolarHBondContact O-CA 3.44Å; C60-A72 HydrophobicContact CB-CB 4.13Å
61V97.2Very high96.8Very high65 Ų6572.8 Ų72.839%0.39438%0.377SS..G310 helixtrans-64.1-17.3173.3-56.30000113.4L42 M43 I46 E58 H59 L63L42-V61 HydrophobicContact CD2-CG1 4.11Å; L42-V61 HydrophobicContact CG-CG1 4.46Å; M43-V61 HydrophobicContact CE-CB 4Å; M43-V61 HydrophobicContact CE-CG1 3.47Å; M43-V61 VanDerWaalsContact CE-CG1 3.47Å; M43-V61 HydrophobicContact SD-CG1 4.25Å; I46-V61 HydrophobicContact CD1-CG1 3.25Å; E58-V61 WeakPolarHBondContact O-CG1 3.32Å; E58-V61 VanDerWaalsContact O-CG2 3.25Å; E58-V61 WeakPolarHBondContact O-CG2 3.38Å; E58-V61 PolarHBondContact O-N 3.38Å; H59-V61 PolarHBondContact O-N 2.92Å; H59-V61 VanDerWaalsContact O-N 3.13Å; V61-L63 VanDerWaalsContact C-N 3.32Å
62L97.5Very high96.8Very high151 Ų15170.6 Ų70.679%0.79136%0.355SS*.G310 helixtrans-83.5-11.3177.6-57.1177000112.7H59 C60H59-L62 WeakPolarHBondContact O-CB 3.49Å; H59-L62 WeakPolarHBondContact O-CG 3.41Å; H59-L62 PolarHBondContact O-N 3.04Å; H59-L62 VanDerWaalsContact O-N 3.1Å; C60-L62 PolarHBondContact O-N 3.23Å
63L97.1Very high96.8Very high65 Ų6570.2 Ų70.234%0.3434%0.344SS..SBendtrans-81.7159179.9-60.6175.5000110.8C60 V61 E67 K71C60-L63 HydrophobicContact CB-CD1 4.28Å; C60-L63 WeakPolarHBondContact O-CB 3.42Å; C60-L63 PolarHBondContact O-N 2.92Å; C60-L63 VanDerWaalsContact O-N 3.13Å; V61-L63 VanDerWaalsContact C-N 3.32Å; L63-E67 HydrophobicContact CB-CB 4.28Å; L63-K71 HydrophobicContact CD1-CB 3.66Å; L63-K71 HydrophobicContact CD1-CG 3.73Å
64P94.6Very high96.7Very high73 Ų7372.5 Ų72.547%0.47436%0.36SS..  trans-52.1148.6171.6-25.935.2000112.1R66 E67 G68P64-R66 PolarHBondContact O-N 3.13Å; P64-E67 HydrophobicContact CB-CB 4.45Å; P64-E67 HydrophobicContact CB-CG 4.35Å; P64-E67 WeakPolarHBondContact O-CA 3.25Å; P64-E67 PolarHBondContact O-N 3.1Å; P64-G68 PolarHBondContact O-N 3.01Å
65E85.8Confident96.7Very high140 Ų14069.2 Ų69.265%0.65435%0.347SS*.Hα-helixtrans-48.5-40.3-170-63.1177.4173.800114D38D38-E65 WeakPolarHBondContact CB-O 3.18Å
66R88.9Confident96.7Very high206 Ų20664.4 Ų64.478%0.77732%0.321SS*.Hα-helixtrans-82.8-16.3-178.8-62.1-174.5178.9-173.8-1.3114.2P64 T70P64-R66 PolarHBondContact O-N 3.13Å; R66-T70 PolarHBondContact O-OG1 2.92Å
67E96Very high96.7Very high116 Ų11668.1 Ų68.154%0.54234%0.336SS..Hα-helixtrans-95.8-36.1-175.9-67.6-179.3-139.700111.8L63 P64 Y69 T70 K71L63-E67 HydrophobicContact CB-CB 4.28Å; P64-E67 HydrophobicContact CB-CB 4.45Å; P64-E67 HydrophobicContact CB-CG 4.35Å; P64-E67 WeakPolarHBondContact O-CA 3.25Å; P64-E67 PolarHBondContact O-N 3.1Å; E67-Y69 PolarHBondContact O-N 3.14Å; E67-T70 PolarHBondContact O-N 3.07Å; E67-K71 VanDerWaalsContact O-CB 3.3Å; E67-K71 WeakPolarHBondContact O-CB 3.41Å; E67-K71 PolarHBondContact O-N 2.82Å
68G97.8Very high96.6Very high1 Ų172.9 Ų72.91%0.0136%0.358CS..Hα-helixtrans-55.7-50.8-175.200000113.6C60 P64 K71 A72C60-G68 WeakPolarHBondContact O-CA 3.44Å; P64-G68 PolarHBondContact O-N 3.01Å; G68-K71 PolarHBondContact O-N 3.23Å; G68-A72 WeakPolarHBondContact O-CB 3.46Å; G68-A72 PolarHBondContact O-N 3.12Å
69Y97.8Very high96.5Very high36 Ų3673.1 Ų73.114%0.14136%0.359CS..Hα-helixtrans-64.1-47.9178.7177.2-117.5000112.3F27 A32 K41 L45 E67 K71 A72 I73F27-Y69 HydrophobicContact CE1-CE2 4.09Å; A32-Y69 WeakPolarHBondContact CB-OH 3.47Å; K41-Y69 HydrophobicContact CB-CD1 4.28Å; K41-Y69 HydrophobicContact CB-CD2 3.66Å; K41-Y69 HydrophobicContact CB-CE1 4.39Å; K41-Y69 HydrophobicContact CB-CE2 3.8Å; K41-Y69 HydrophobicContact CB-CG 3.92Å; K41-Y69 HydrophobicContact CD-CD1 3.99Å; K41-Y69 HydrophobicContact CD-CE1 3.8Å; K41-Y69 HydrophobicContact CD-CG 4.47Å; L45-Y69 HydrophobicContact CD2-CD2 4.26Å; L45-Y69 HydrophobicContact CD2-CE2 4.15Å; E67-Y69 PolarHBondContact O-N 3.14Å; Y69-K71 VanDerWaalsContact C-N 3.31Å; Y69-K71 PolarHBondContact O-N 3.4Å; Y69-A72 PolarHBondContact O-N 2.92Å; Y69-I73 HydrophobicContact CD2-CG1 4.2Å; Y69-I73 HydrophobicContact CE1-CG1 4.29Å; Y69-I73 HydrophobicContact CE2-CD1 3.87Å; Y69-I73 HydrophobicContact CE2-CG1 3.68Å; Y69-I73 WeakPolarHBondContact O-CG1 3.41Å; Y69-I73 PolarHBondContact O-N 3.41Å
70T97.3Very high96.5Very high90 Ų9069.6 Ų69.655%0.55234%0.343SS*.Hα-helixtrans-59.5-43.9179.9-570000111.1R66 E67 I73 S74R66-T70 PolarHBondContact O-OG1 2.92Å; E67-T70 PolarHBondContact O-N 3.07Å; T70-I73 PolarHBondContact O-N 2.87Å; T70-S74 PolarHBondContact O-N 3.04Å; T70-S74 VanDerWaalsContact O-N 3.1Å
71K98.3Very high96.4Very high96 Ų9669.6 Ų69.642%0.41734%0.343SS..Hα-helixtrans-66.7-42.7178.5-174.758.9177.1174.60111.9L63 E67 G68 Y69 I73 S74 I75L63-K71 HydrophobicContact CD1-CB 3.66Å; L63-K71 HydrophobicContact CD1-CG 3.73Å; E67-K71 VanDerWaalsContact O-CB 3.3Å; E67-K71 WeakPolarHBondContact O-CB 3.41Å; E67-K71 PolarHBondContact O-N 2.82Å; G68-K71 PolarHBondContact O-N 3.23Å; Y69-K71 VanDerWaalsContact C-N 3.31Å; Y69-K71 PolarHBondContact O-N 3.4Å; K71-I73 PolarHBondContact O-N 3.35Å; K71-S74 WeakPolarHBondContact O-CB 3.44Å; K71-S74 PolarHBondContact O-N 3.42Å; K71-I75 HydrophobicContact CD-CD1 4.41Å; K71-I75 HydrophobicContact CD-CG1 4.45Å; K71-I75 HydrophobicContact CG-CD1 4.04Å; K71-I75 WeakPolarHBondContact O-CG1 3.12Å; K71-I75 PolarHBondContact O-N 2.95Å
72A98.4Very high96.2Very high0 Ų071.5 Ų71.50%035%0.346CS..Hα-helixtrans-59.3-4517700000111.9L42 L45 I57 C60 G68 Y69 S74 I75 L76L42-A72 HydrophobicContact CD1-CB 3.65Å; L45-A72 HydrophobicContact CD2-CB 3.76Å; I57-A72 HydrophobicContact CB-CB 3.98Å; I57-A72 HydrophobicContact CD1-CB 4.47Å; I57-A72 HydrophobicContact CG2-CB 4.11Å; C60-A72 HydrophobicContact CB-CB 4.13Å; G68-A72 WeakPolarHBondContact O-CB 3.46Å; G68-A72 PolarHBondContact O-N 3.12Å; Y69-A72 PolarHBondContact O-N 2.92Å; A72-S74 PolarHBondContact O-N 3.38Å; A72-I75 PolarHBondContact O-N 3.14Å; A72-L76 WeakPolarHBondContact O-CG 3.47Å; A72-L76 PolarHBondContact O-N 3.42Å
73I98Very high95.9Very high48 Ų4868.7 Ų68.725%0.24634%0.336CS..Hα-helixtrans-61.4-42.8175.6-67.3-66.5000111.7I24 L45 Y69 T70 K71 I75 L76 H77I24-I73 HydrophobicContact CD1-CD1 4.27Å; L45-I73 HydrophobicContact CD1-CD1 4.27Å; L45-I73 HydrophobicContact CD2-CD1 3.75Å; L45-I73 HydrophobicContact CD2-CG1 4.19Å; Y69-I73 HydrophobicContact CD2-CG1 4.2Å; Y69-I73 HydrophobicContact CE1-CG1 4.29Å; Y69-I73 HydrophobicContact CE2-CD1 3.87Å; Y69-I73 HydrophobicContact CE2-CG1 3.68Å; Y69-I73 WeakPolarHBondContact O-CG1 3.41Å; Y69-I73 PolarHBondContact O-N 3.41Å; T70-I73 PolarHBondContact O-N 2.87Å; K71-I73 PolarHBondContact O-N 3.35Å; I73-I75 PolarHBondContact O-N 3.48Å; I73-L76 PolarHBondContact O-N 3.38Å; I73-H77 PolarHBondContact O-N 2.74Å; I73-H77 VanDerWaalsContact O-N 3.09Å
74S98Very high95.7Very high48 Ų4871.8 Ų71.834%0.33635%0.349SS..Hα-helixtrans-58.6-47.9176.2-156.50000111.3T70 K71 A72 L76 H77 E78T70-S74 PolarHBondContact O-N 3.04Å; T70-S74 VanDerWaalsContact O-N 3.1Å; K71-S74 WeakPolarHBondContact O-CB 3.44Å; K71-S74 PolarHBondContact O-N 3.42Å; A72-S74 PolarHBondContact O-N 3.38Å; S74-L76 PolarHBondContact O-N 3.42Å; S74-H77 PolarHBondContact O-N 3.49Å; S74-E78 WeakPolarHBondContact O-CB 3.44Å; S74-E78 VanDerWaalsContact O-CG 3.28Å; S74-E78 WeakPolarHBondContact O-CG 3.29Å; S74-E78 PolarHBondContact O-N 2.9Å; S74-E78 PolarHBondContact OG-OE1 2.99Å
75I98.4Very high95.5Very high12 Ų1270.6 Ų70.66%0.06234%0.338CS..Hα-helixtrans-60.1-46.6179.6-69.4168.1000110.9A56 I57 K71 A72 I73 H77 E78 Q79A56-I75 HydrophobicContact CB-CG2 3.92Å; I57-I75 HydrophobicContact CG2-CB 4.19Å; I57-I75 HydrophobicContact CG2-CG2 4.02Å; K71-I75 HydrophobicContact CD-CD1 4.41Å; K71-I75 HydrophobicContact CD-CG1 4.45Å; K71-I75 HydrophobicContact CG-CD1 4.04Å; K71-I75 WeakPolarHBondContact O-CG1 3.12Å; K71-I75 PolarHBondContact O-N 2.95Å; A72-I75 PolarHBondContact O-N 3.14Å; I73-I75 PolarHBondContact O-N 3.48Å; I75-H77 VanDerWaalsContact C-N 3.31Å; I75-H77 PolarHBondContact O-N 3.5Å; I75-E78 PolarHBondContact O-N 3.47Å; I75-Q79 HydrophobicContact CG2-CG 4.28Å; I75-Q79 WeakPolarHBondContact O-CB 3.37Å; I75-Q79 WeakPolarHBondContact O-CG 3.45Å; I75-Q79 PolarHBondContact O-N 3.22Å
76L98.4Very high95.7Very high0 Ų064.8 Ų64.80%031%0.312CS..Hα-helixtrans-60.7-42.8179.5-66.8177.4000111.6F13 F20 F23 I24 L45 A53 I57 A72 I73 S74 F80 G81F13-L76 HydrophobicContact CD1-CD2 4.35Å; F13-L76 HydrophobicContact CE1-CD2 4.04Å; F20-L76 HydrophobicContact CE2-CB 4.03Å; F20-L76 VanDerWaalsContact CE2-O 3.23Å; F20-L76 WeakPolarHBondContact CE2-O 2.76Å; F23-L76 HydrophobicContact CE1-CD1 4.31Å; I24-L76 HydrophobicContact CD1-CD1 4.23Å; L45-L76 HydrophobicContact CD1-CD1 3.91Å; L45-L76 HydrophobicContact CD2-CD1 4.06Å; L45-L76 HydrophobicContact CG-CD1 4.19Å; A53-L76 HydrophobicContact CB-CD2 4.17Å; I57-L76 HydrophobicContact CD1-CD1 4.37Å; I57-L76 HydrophobicContact CG2-CD2 3.73Å; I57-L76 HydrophobicContact CG2-CG 3.82Å; A72-L76 WeakPolarHBondContact O-CG 3.47Å; A72-L76 PolarHBondContact O-N 3.42Å; I73-L76 PolarHBondContact O-N 3.38Å; S74-L76 PolarHBondContact O-N 3.42Å; L76-F80 HydrophobicContact CD2-CD2 3.97Å; L76-F80 HydrophobicContact CD2-CE2 4.01Å; L76-F80 PolarHBondContact O-N 3.25Å; L76-G81 PolarHBondContact O-N 3.27Å
77H97.3Very high95.8Very high90 Ų9059 Ų5942%0.41730%0.299SS..Hα-helixtrans-66.7-43.1178.1-171-74.9000112.3F20 W21 I73 S74 I75 G81F20-H77 HydrophobicContact CZ-CB 4Å; W21-H77 AromaticContact CH2-NE2 3.74Å; I73-H77 PolarHBondContact O-N 2.74Å; I73-H77 VanDerWaalsContact O-N 3.09Å; S74-H77 PolarHBondContact O-N 3.49Å; I75-H77 VanDerWaalsContact C-N 3.31Å; I75-H77 PolarHBondContact O-N 3.5Å; H77-G81 CarbonylContact O-C 3.53Å; H77-G81 VanDerWaalsContact O-CA 3.27Å; H77-G81 WeakPolarHBondContact O-CA 3.44Å; H77-G81 PolarHBondContact O-N 3.18Å
78E97.1Very high95.6Very high100 Ų10058.7 Ų58.747%0.46730%0.298SS..Hα-helixtrans-67.8-33.6179.4-74.9166.6-148.100112.9S74 I75 K82S74-E78 WeakPolarHBondContact O-CB 3.44Å; S74-E78 VanDerWaalsContact O-CG 3.28Å; S74-E78 WeakPolarHBondContact O-CG 3.29Å; S74-E78 PolarHBondContact O-N 2.9Å; S74-E78 PolarHBondContact OG-OE1 2.99Å; I75-E78 PolarHBondContact O-N 3.47Å; E78-K82 WeakPolarHBondContact O-CE 3.3Å
79Q97Very high95.4Very high102 Ų10259.9 Ų59.948%0.47731%0.308SS..Hα-helixtrans-94.4-34.7-176.6-67.5-168.619.500113.8I75I75-Q79 HydrophobicContact CG2-CG 4.28Å; I75-Q79 WeakPolarHBondContact O-CB 3.37Å; I75-Q79 WeakPolarHBondContact O-CG 3.45Å; I75-Q79 PolarHBondContact O-N 3.22Å
80F97Very high95Very high22 Ų2265.4 Ų65.410%0.09633%0.333CS..Hα-helixtrans-126.2-7.8-170.2-47.4-70.7000113.9F13 G15 F20 A52 A53 A56 L76F13-F80 HydrophobicContact CE1-CB 4.24Å; F13-F80 AromaticContact CE1-CD2 3.92Å; F13-F80 HydrophobicContact CE1-CD2 3.92Å; F13-F80 HydrophobicContact CE1-CG 4.18Å; F13-F80 HydrophobicContact CZ-CB 3.69Å; F13-F80 HydrophobicContact CZ-CD2 4.2Å; F13-F80 AromaticContact CZ-CG 3.98Å; F13-F80 HydrophobicContact CZ-CG 3.98Å; G15-F80 WeakPolarHBondContact O-CD1 3.48Å; F20-F80 WeakPolarHBondContact CB-O 3.44Å; F20-F80 HydrophobicContact CD2-CB 3.95Å; A52-F80 HydrophobicContact CB-CE1 4.37Å; A52-F80 HydrophobicContact CB-CZ 4.32Å; A53-F80 HydrophobicContact CB-CE2 4.16Å; A53-F80 HydrophobicContact CB-CZ 4.47Å; A56-F80 HydrophobicContact CB-CE2 4.13Å; A56-F80 HydrophobicContact CB-CZ 4.3Å; L76-F80 HydrophobicContact CD2-CD2 3.97Å; L76-F80 HydrophobicContact CD2-CE2 4.01Å; L76-F80 PolarHBondContact O-N 3.25Å
81G95.7Very high94.7Very high0 Ų068 Ų680%034%0.342CS..  trans-103.74.5-173.400000115.9L76 H77L76-G81 PolarHBondContact O-N 3.27Å; H77-G81 CarbonylContact O-C 3.53Å; H77-G81 VanDerWaalsContact O-CA 3.27Å; H77-G81 WeakPolarHBondContact O-CA 3.44Å; H77-G81 PolarHBondContact O-N 3.18Å
82K94.6Very high94Very high106 Ų10671.5 Ų71.546%0.46137%0.372SS..  trans-67.5128.8-177.8-58.9-172.6-163.5170.70110.2E78 H84 D85 I86E78-K82 WeakPolarHBondContact O-CE 3.3Å; K82-H84 PolarHBondContact O-N 3.26Å; K82-H84 VanDerWaalsContact O-N 3.15Å; K82-D85 HydrophobicContact CB-CB 4.39Å; K82-D85 WeakPolarHBondContact CB-OD2 3.28Å; K82-D85 WeakPolarHBondContact CD-OD2 3.37Å; K82-D85 PolarHBondContact O-N 3.17Å; K82-D85 VanDerWaalsContact O-N 3.16Å; K82-I86 WeakPolarHBondContact O-CG1 3.3Å; K82-I86 PolarHBondContact O-N 2.91Å
83P91.5Very high93.8Very high91 Ų9175.1 Ų75.159%0.59139%0.391SS*.Hα-helixtrans-55.1-35.7179-28.735.6000113.8I86 V87P83-I86 PolarHBondContact O-N 3.49Å; P83-V87 VanDerWaalsContact O-CG2 3.32Å; P83-V87 WeakPolarHBondContact O-CG2 3.37Å; P83-V87 PolarHBondContact O-N 3.22Å
84H91.6Very high93.6Very high130 Ų13076.5 Ų76.560%0.60240%0.398SS*.Hα-helixtrans-60-52.4177.4179.1-86.2000111.9K82 I86 V87 E88K82-H84 PolarHBondContact O-N 3.26Å; K82-H84 VanDerWaalsContact O-N 3.15Å; H84-I86 PolarHBondContact O-N 3.47Å; H84-V87 PolarHBondContact O-N 3.42Å; H84-V87 VanDerWaalsContact O-N 3.1Å; H84-E88 IonicContact CE1-OE2 2.89Å; H84-E88 PolarHBondContact CE1-OE2 3.03Å; H84-E88 IonicContact ND1-OE2 3.75Å; H84-E88 PolarHBondContact O-N 3.49Å
85D90.5Very high93.4Very high48 Ų4878.1 Ų78.126%0.25740%0.402SS..Hα-helixtrans-64.3-32.4-177.3-53.3-12.1000111.4P17 K82 A89P17-D85 HydrophobicContact CG-CB 4.5Å; K82-D85 HydrophobicContact CB-CB 4.39Å; K82-D85 WeakPolarHBondContact CB-OD2 3.28Å; K82-D85 WeakPolarHBondContact CD-OD2 3.37Å; K82-D85 PolarHBondContact O-N 3.17Å; K82-D85 VanDerWaalsContact O-N 3.16Å; D85-A89 VanDerWaalsContact O-CB 3.26Å; D85-A89 WeakPolarHBondContact O-CB 3.33Å; D85-A89 PolarHBondContact O-N 3.13Å
86I90.1Very high93.1Very high18 Ų1882 Ų829%0.09242%0.422CS..Hα-helixtrans-67.8-46.5174.9-62172.9000110.4P17 W21 K82 P83 H84 E88 A89 F90P17-I86 HydrophobicContact CB-CG1 3.85Å; W21-I86 VanDerWaalsContact CD1-CD1 3.41Å; K82-I86 WeakPolarHBondContact O-CG1 3.3Å; K82-I86 PolarHBondContact O-N 2.91Å; P83-I86 PolarHBondContact O-N 3.49Å; H84-I86 PolarHBondContact O-N 3.47Å; I86-E88 VanDerWaalsContact C-N 3.35Å; I86-A89 PolarHBondContact O-N 3.22Å; I86-F90 HydrophobicContact CG2-CD2 3.95Å; I86-F90 HydrophobicContact CG2-CE2 3.93Å; I86-F90 VanDerWaalsContact O-CD2 3.28Å; I86-F90 WeakPolarHBondContact O-CD2 3.49Å; I86-F90 PolarHBondContact O-N 3.5Å
87V91.9Very high92.7Very high86 Ų8687.1 Ų87.152%0.52145%0.448SS..Hα-helixtrans-61.7-44.7176.71710000110.6P83 H84 A89 F90 L91P83-V87 VanDerWaalsContact O-CG2 3.32Å; P83-V87 WeakPolarHBondContact O-CG2 3.37Å; P83-V87 PolarHBondContact O-N 3.22Å; H84-V87 PolarHBondContact O-N 3.42Å; H84-V87 VanDerWaalsContact O-N 3.1Å; V87-A89 PolarHBondContact O-N 2.93Å; V87-F90 WeakPolarHBondContact O-CB 3.42Å; V87-F90 PolarHBondContact O-N 3.39Å; V87-F90 VanDerWaalsContact O-N 3.12Å; V87-L91 HydrophobicContact CG1-CD1 4.01Å; V87-L91 WeakPolarHBondContact O-CG 3.23Å; V87-L91 PolarHBondContact O-N 3.43Å
88E91.8Very high92.4Very high108 Ų10886.9 Ų86.951%0.50545%0.45SS..Hα-helixtrans-60.9-43.4177.5-172.4174.6178.300112H84 I86 F90 L91 T92H84-E88 IonicContact CE1-OE2 2.89Å; H84-E88 PolarHBondContact CE1-OE2 3.03Å; H84-E88 IonicContact ND1-OE2 3.75Å; H84-E88 PolarHBondContact O-N 3.49Å; I86-E88 VanDerWaalsContact C-N 3.35Å; E88-F90 VanDerWaalsContact C-N 3.25Å; E88-F90 PolarHBondContact O-N 3.26Å; E88-L91 PolarHBondContact O-N 2.77Å; E88-L91 VanDerWaalsContact O-N 3.09Å; E88-T92 PolarHBondContact O-N 3.33Å; E88-T92 PolarHBondContact O-OG1 2.97Å
89A92.1Very high92.1Very high27 Ų2786 Ų8622%0.22345%0.449CS..Hα-helixtrans-66.1-24.3175.300000113.6P17 L18 D85 I86 V87 L91P17-A89 HydrophobicContact CB-CB 4.24Å; P17-A89 HydrophobicContact CG-CB 4.49Å; L18-A89 HydrophobicContact CD2-CB 3.79Å; L18-A89 HydrophobicContact CG-CB 3.88Å; D85-A89 VanDerWaalsContact O-CB 3.26Å; D85-A89 WeakPolarHBondContact O-CB 3.33Å; D85-A89 PolarHBondContact O-N 3.13Å; I86-A89 PolarHBondContact O-N 3.22Å; V87-A89 PolarHBondContact O-N 2.93Å; A89-L91 VanDerWaalsContact C-N 3.34Å
90F89.8Confident91.7Very high151 Ų15184.8 Ų84.866%0.66245%0.447SS*.Hα-helixtrans-77-22.6173.3-96.5-73000112.9L18 I86 V87 E88L18-F90 HydrophobicContact CD2-CB 4.36Å; L18-F90 HydrophobicContact CD2-CD1 4.13Å; L18-F90 HydrophobicContact CD2-CD2 3.37Å; L18-F90 HydrophobicContact CD2-CE1 4.27Å; L18-F90 HydrophobicContact CD2-CE2 3.52Å; L18-F90 HydrophobicContact CD2-CG 3.69Å; L18-F90 HydrophobicContact CD2-CZ 3.98Å; I86-F90 HydrophobicContact CG2-CD2 3.95Å; I86-F90 HydrophobicContact CG2-CE2 3.93Å; I86-F90 VanDerWaalsContact O-CD2 3.28Å; I86-F90 WeakPolarHBondContact O-CD2 3.49Å; I86-F90 PolarHBondContact O-N 3.5Å; V87-F90 WeakPolarHBondContact O-CB 3.42Å; V87-F90 PolarHBondContact O-N 3.39Å; V87-F90 VanDerWaalsContact O-N 3.12Å; E88-F90 VanDerWaalsContact C-N 3.25Å; E88-F90 PolarHBondContact O-N 3.26Å
91L92.3Very high91.3Very high145 Ų14590 Ų9076%0.75948%0.476SS*.Hα-helixtrans-96-6.3-175.4-66173.7000113.6V87 E88 A89V87-L91 HydrophobicContact CG1-CD1 4.01Å; V87-L91 WeakPolarHBondContact O-CG 3.23Å; V87-L91 PolarHBondContact O-N 3.43Å; E88-L91 PolarHBondContact O-N 2.77Å; E88-L91 VanDerWaalsContact O-N 3.09Å; A89-L91 VanDerWaalsContact C-N 3.34Å
92T83.8Confident90.9Very high170 Ų17098.2 Ų98.2100%1.04352%0.52SS*.  trans-112.50-177.1-47.60000110.6E88E88-T92 PolarHBondContact O-N 3.33Å; E88-T92 PolarHBondContact O-OG1 2.97Å

Retrieved 92 of 92 residues in 56.8 ms (Link to these results)

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