A0A077Z6J9_TRITR Loading...

Protein MAK16 homolog

AlphaFold DB , UniProt , Accession A0A077Z6J9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 295 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
1M53.6Low82.2Confident245 Ų245103.5 Ų103.5100%1.20754%0.538SS*.  0144.20-64.8174.3178.400109.5
2I65.1Low82.9Confident134 Ų134102.7 Ų102.769%0.68753%0.53SS*.  trans-95.1134.3173.6-57.4175.8000108.1S4 R6I2-S4 PolarHBondContact O-N 2.94Å; I2-R6 HydrophobicContact CG2-CB 4.49Å
3P76.2Confident83.7Confident70 Ų70104.2 Ų104.246%0.45553%0.53SS..  trans-61.1132.8174.3-22.433.3000111.6D5 R6P3-D5 PolarHBondContact O-N 3.4Å; P3-R6 HydrophobicContact CB-CB 4.3Å; P3-R6 WeakPolarHBondContact O-CB 3.44Å; P3-R6 PolarHBondContact O-N 2.84Å
4S83.5Confident84.4Confident103 Ų103100.6 Ų100.672%0.7251%0.51SS*.THydrogen-bonded Turntrans-46.9-38.5-179.449.70000114.1I2 R6I2-S4 PolarHBondContact O-N 2.94Å; S4-R6 VanDerWaalsContact C-N 3.33Å
5D87.6Confident85Confident35 Ų3594.7 Ų94.719%0.18748%0.481CS..THydrogen-bonded Turntrans-85.4-11.7-170.7-50.9-10.3000112P3 C15 R16 N17P3-D5 PolarHBondContact O-N 3.4Å; D5-C15 CarbonylContact O-C 3.58Å; D5-C15 VanDerWaalsContact O-CA 3.3Å; D5-C15 WeakPolarHBondContact O-CA 3.42Å; D5-R16 PolarHBondContact O-N 3.19Å; D5-N17 HydrophobicContact CB-CB 4.16Å; D5-N17 WeakPolarHBondContact OD2-CB 3.41Å; D5-N17 PolarHBondContact OD2-ND2 3.32Å
6R90.4Very high85.5Confident91 Ų9199.9 Ų99.934%0.34349%0.493SS..EExtended strand (participates in β ladder)trans-84.5122.8-176.6177.2176.1160.5-165.4-11.8110.2I2 P3 S4 F14 C25I2-R6 HydrophobicContact CG2-CB 4.49Å; P3-R6 HydrophobicContact CB-CB 4.3Å; P3-R6 WeakPolarHBondContact O-CB 3.44Å; P3-R6 PolarHBondContact O-N 2.84Å; S4-R6 VanDerWaalsContact C-N 3.33Å; R6-F14 WeakPolarHBondContact CA-O 3.32Å; R6-C25 HydrophobicContact CG-CB 4.23Å
7Y90.9Very high86Confident88 Ų8895.8 Ų95.835%0.34547%0.473SS..EExtended strand (participates in β ladder)trans-119.7157.8166.968.7-75.4000111.1V9 F14 R16Y7-V9 HydrophobicContact CD2-CG2 4.43Å; Y7-V9 HydrophobicContact CE2-CG2 4.29Å; Y7-F14 HydrophobicContact CD1-CB 3.76Å; Y7-F14 HydrophobicContact CD2-CB 4.11Å; Y7-F14 HydrophobicContact CE1-CB 3.31Å; Y7-F14 HydrophobicContact CE1-CG 4.46Å; Y7-F14 HydrophobicContact CE2-CB 3.67Å; Y7-F14 HydrophobicContact CE2-CD2 4.3Å; Y7-F14 HydrophobicContact CE2-CG 4.19Å; Y7-F14 HydrophobicContact CG-CB 4.16Å; Y7-F14 AromaticContact CZ-CG 3.97Å; Y7-F14 PolarHBondContact N-O 2.86Å; Y7-F14 PolarHBondContact O-N 3.17Å; Y7-R16 HydrophobicContact CD1-CG 3.53Å; Y7-R16 HydrophobicContact CE1-CG 3.63Å
8L90.9Very high86.3Confident115 Ų11597.2 Ų97.260%0.60248%0.478SS*.EExtended strand (participates in β ladder)trans-113.5131-177.7-56.4178.6000109.1K13L8-K13 HydrophobicContact CD2-CB 4.33Å; L8-K13 HydrophobicContact CD2-CG 3.75Å
9V90.4Very high86.8Confident49 Ų4995.3 Ų95.330%0.29747%0.465SS..EExtended strand (participates in β ladder)trans-112.1153.3155.1-177.20000104.8Y7 T11 Q12 F14 D235Y7-V9 HydrophobicContact CD2-CG2 4.43Å; Y7-V9 HydrophobicContact CE2-CG2 4.29Å; V9-T11 PolarHBondContact O-N 3.45Å; V9-Q12 PolarHBondContact N-O 2.81Å; V9-Q12 VanDerWaalsContact N-O 3.14Å; V9-Q12 PolarHBondContact O-N 3.22Å; V9-F14 HydrophobicContact CB-CD2 4.22Å; V9-F14 HydrophobicContact CB-CE2 4.04Å; V9-F14 HydrophobicContact CG2-CD2 3.84Å; V9-F14 HydrophobicContact CG2-CE2 3.94Å; V9-D235 WeakPolarHBondContact CG1-OD1 3.39Å
10K86.4Confident87.2Confident110 Ų11090.7 Ų90.748%0.47844%0.443SS..THydrogen-bonded Turntrans-40.3-52.6-164.7-64.4-174.9-157.3-176.50114.1Q234 D235K10-Q234 VanDerWaalsContact CE-CB 3.45Å; K10-Q234 WeakPolarHBondContact CE-O 3.39Å; K10-Q234 PolarHBondContact NZ-O 2.83Å; K10-D235 WeakPolarHBondContact CB-OD2 3.31Å; K10-D235 HydrophobicContact CD-CB 4.04Å; K10-D235 VanDerWaalsContact CD-OD2 3.26Å; K10-D235 WeakPolarHBondContact CD-OD2 3.5Å; K10-D235 HydrophobicContact CG-CB 4.49Å; K10-D235 VanDerWaalsContact CG-OD2 3.28Å; K10-D235 WeakPolarHBondContact CG-OD2 3.34Å
11T89.5Confident87.5Confident98 Ų9886.9 Ų86.960%0.60142%0.424SS*.THydrogen-bonded Turntrans-90.5-23.3-169.155.10000113.3V9V9-T11 PolarHBondContact O-N 3.45Å
12Q90.6Very high89.4Confident94 Ų9477.8 Ų77.844%0.43938%0.383SS..EExtended strand (participates in β ladder)trans-141.7142.7-167.4-65.8-168.516.500114.3V9 F14V9-Q12 PolarHBondContact N-O 2.81Å; V9-Q12 VanDerWaalsContact N-O 3.14Å; V9-Q12 PolarHBondContact O-N 3.22Å; Q12-F14 HydrophobicContact CB-CD2 4.26Å; Q12-F14 HydrophobicContact CB-CE2 3.62Å; Q12-F14 HydrophobicContact CB-CZ 3.98Å; Q12-F14 WeakPolarHBondContact O-CD2 3.2Å
13K92.8Very high90.7Very high122 Ų12272.5 Ų72.553%0.5336%0.361SS..EExtended strand (participates in β ladder)trans-95112.2-178.9-60.7165.8-175.4165.90107.7L8 C25L8-K13 HydrophobicContact CD2-CB 4.33Å; L8-K13 HydrophobicContact CD2-CG 3.75Å; K13-C25 HydrophobicContact CB-CB 4.14Å; K13-C25 WeakPolarHBondContact O-CB 3.15Å; K13-C25 PolarHBondContact O-N 3.46Å
14F93.9Very high91.5Very high55 Ų5571.9 Ų71.924%0.24135%0.354CS..EExtended strand (participates in β ladder)trans-106.5163.7-177.8-69.8-84.6000112.1R6 Y7 V9 Q12 G23 L24 C25R6-F14 WeakPolarHBondContact CA-O 3.32Å; Y7-F14 HydrophobicContact CD1-CB 3.76Å; Y7-F14 HydrophobicContact CD2-CB 4.11Å; Y7-F14 HydrophobicContact CE1-CB 3.31Å; Y7-F14 HydrophobicContact CE1-CG 4.46Å; Y7-F14 HydrophobicContact CE2-CB 3.67Å; Y7-F14 HydrophobicContact CE2-CD2 4.3Å; Y7-F14 HydrophobicContact CE2-CG 4.19Å; Y7-F14 HydrophobicContact CG-CB 4.16Å; Y7-F14 AromaticContact CZ-CG 3.97Å; Y7-F14 PolarHBondContact N-O 2.86Å; Y7-F14 PolarHBondContact O-N 3.17Å; V9-F14 HydrophobicContact CB-CD2 4.22Å; V9-F14 HydrophobicContact CB-CE2 4.04Å; V9-F14 HydrophobicContact CG2-CD2 3.84Å; V9-F14 HydrophobicContact CG2-CE2 3.94Å; Q12-F14 HydrophobicContact CB-CD2 4.26Å; Q12-F14 HydrophobicContact CB-CE2 3.62Å; Q12-F14 HydrophobicContact CB-CZ 3.98Å; Q12-F14 WeakPolarHBondContact O-CD2 3.2Å; F14-G23 CarbonylContact C-O 3.56Å; F14-G23 WeakPolarHBondContact CA-O 3.3Å; F14-L24 HydrophobicContact CD1-CD2 3.88Å; F14-L24 HydrophobicContact CE1-CD2 3.68Å; F14-L24 HydrophobicContact CZ-CD2 4.31Å; F14-C25 WeakPolarHBondContact O-CB 3.34Å
15C93.2Very high92Very high11 Ų1168.3 Ų68.37%0.07433%0.329CS..EExtended strand (participates in β ladder)trans-132.7126.5-172.2-176.40000110.9D5 N20 G23 C25D5-C15 CarbonylContact O-C 3.58Å; D5-C15 VanDerWaalsContact O-CA 3.3Å; D5-C15 WeakPolarHBondContact O-CA 3.42Å; C15-N20 WeakPolarHBondContact CB-ND2 3.37Å; C15-N20 PolarHBondContact SG-ND2 2.91Å; C15-N20 VanDerWaalsContact SG-ND2 3.37Å; C15-G23 PolarHBondContact N-O 3.06Å; C15-C25 HydrophobicContact CB-CB 4.02Å
16R92.9Very high92.2Very high179 Ų17969.9 Ų69.968%0.67534%0.34SS*.  trans-85.7-7.5179.3-61.7-178.4177.5174.4-2.5114.1D5 Y7 E18D5-R16 PolarHBondContact O-N 3.19Å; Y7-R16 HydrophobicContact CD1-CG 3.53Å; Y7-R16 HydrophobicContact CE1-CG 3.63Å; R16-E18 PolarHBondContact O-N 3.12Å
17N93.5Very high92.3Very high29 Ų2975.5 Ų75.516%0.15536%0.361CS..  trans-63.7125.3-176.2-163.9-64.7000110.7D5 W19 N20 P31D5-N17 HydrophobicContact CB-CB 4.16Å; D5-N17 WeakPolarHBondContact OD2-CB 3.41Å; D5-N17 PolarHBondContact OD2-ND2 3.32Å; N17-W19 PolarHBondContact O-N 3.39Å; N17-W19 VanDerWaalsContact O-N 3.11Å; N17-W19 WeakPolarHBondContact OD1-CB 3.34Å; N17-W19 VanDerWaalsContact OD1-CD1 3.27Å; N17-W19 PolarHBondContact OD1-N 3.41Å; N17-N20 WeakPolarHBondContact O-CB 3.15Å; N17-N20 PolarHBondContact O-N 3.05Å; N17-P31 HydrophobicContact CB-CG 4.21Å; N17-P31 WeakPolarHBondContact OD1-CG 3.24Å
18E92.7Very high92.4Very high121 Ų12177 Ų7757%0.56537%0.371SS*.THydrogen-bonded Turntrans-56.4-30.5-179.1-53-170.313900112.8R16 N20 R41R16-E18 PolarHBondContact O-N 3.12Å; E18-N20 VanDerWaalsContact C-N 3.29Å; E18-N20 PolarHBondContact O-N 2.75Å; E18-R41 IonicContact OE1-NH2 3.39Å; E18-R41 PolarHBondContact OE1-NH2 3.25Å; E18-R41 IonicContact OE2-CZ 3.64Å; E18-R41 IonicContact OE2-NH1 2.68Å; E18-R41 PolarHBondContact OE2-NH1 3.28Å; E18-R41 IonicContact OE2-NH2 3.41Å; E18-R41 PolarHBondContact OE2-NH2 2.82Å
19W94.6Very high92.6Very high61 Ų6171.5 Ų71.523%0.23134%0.342CS..THydrogen-bonded Turntrans-87.718-179.8-45.8103.3000113.3N17 P31 Y37 T39 Y50 W64N17-W19 PolarHBondContact O-N 3.39Å; N17-W19 VanDerWaalsContact O-N 3.11Å; N17-W19 WeakPolarHBondContact OD1-CB 3.34Å; N17-W19 VanDerWaalsContact OD1-CD1 3.27Å; N17-W19 PolarHBondContact OD1-N 3.41Å; W19-P31 HydrophobicContact CB-CB 3.96Å; W19-P31 HydrophobicContact CB-CG 3.94Å; W19-P31 WeakPolarHBondContact O-CB 3.47Å; W19-P31 WeakPolarHBondContact O-CG 3.24Å; W19-Y37 WeakPolarHBondContact O-CE1 3.44Å; W19-T39 HydrophobicContact CB-CG2 4.19Å; W19-T39 WeakPolarHBondContact O-CG2 3.41Å; W19-Y50 HydrophobicContact CH2-CD1 4.31Å; W19-Y50 HydrophobicContact CH2-CE1 4.05Å; W19-Y50 AromaticContact CZ3-CD1 3.84Å; W19-Y50 HydrophobicContact CZ3-CD1 3.84Å; W19-Y50 AromaticContact CZ3-CD2 3.97Å; W19-Y50 HydrophobicContact CZ3-CD2 3.97Å; W19-Y50 AromaticContact CZ3-CE1 3.99Å; W19-Y50 HydrophobicContact CZ3-CE1 3.99Å; W19-Y50 HydrophobicContact CZ3-CE2 4.14Å; W19-Y50 AromaticContact CZ3-CG 3.79Å; W19-Y50 HydrophobicContact CZ3-CG 3.79Å; W19-W64 HydrophobicContact CB-CH2 3.8Å; W19-W64 HydrophobicContact CB-CZ2 3.53Å; W19-W64 AromaticContact CD2-CE2 3.89Å; W19-W64 HydrophobicContact CD2-CH2 4.48Å; W19-W64 AromaticContact CD2-CZ2 3.84Å; W19-W64 HydrophobicContact CD2-CZ2 3.84Å; W19-W64 AromaticContact CE2-NE1 3.99Å; W19-W64 HydrophobicContact CE3-CD2 4.39Å; W19-W64 HydrophobicContact CE3-CH2 4.46Å; W19-W64 HydrophobicContact CE3-CZ2 4.16Å; W19-W64 HydrophobicContact CG-CH2 4.23Å; W19-W64 AromaticContact CG-CZ2 3.55Å; W19-W64 HydrophobicContact CG-CZ2 3.55Å
20N95.4Very high92.7Very high4 Ų470.1 Ų70.12%0.02133%0.334CS..  trans-89.1125.8172-169.3-44.1000111C15 N17 E18 T22 G23 L24 A29 R98C15-N20 WeakPolarHBondContact CB-ND2 3.37Å; C15-N20 PolarHBondContact SG-ND2 2.91Å; C15-N20 VanDerWaalsContact SG-ND2 3.37Å; N17-N20 WeakPolarHBondContact O-CB 3.15Å; N17-N20 PolarHBondContact O-N 3.05Å; E18-N20 VanDerWaalsContact C-N 3.29Å; E18-N20 PolarHBondContact O-N 2.75Å; N20-T22 VanDerWaalsContact C-N 3.32Å; N20-T22 PolarHBondContact O-N 3.16Å; N20-T22 PolarHBondContact OD1-N 3.04Å; N20-T22 PolarHBondContact OD1-OG1 2.98Å; N20-T22 VanDerWaalsContact OD1-OG1 3.12Å; N20-G23 PolarHBondContact OD1-N 3.43Å; N20-L24 PolarHBondContact ND2-O 2.8Å; N20-A29 PolarHBondContact ND2-O 3.13Å; N20-A29 PolarHBondContact OD1-O 3.11Å; N20-R98 PolarHBondContact O-NH1 3.39Å
21L93.3Very high93.1Very high10 Ų1065 Ų655%0.05231%0.312CS..SBendtrans-59.3-37.1176.8-78.5170.2000114.3Y37 A38 T39 I91 K94 R98L21-Y37 HydrophobicContact CD1-CE1 4.22Å; L21-Y37 HydrophobicContact CD1-CE2 4.42Å; L21-Y37 HydrophobicContact CG-CE1 4.1Å; L21-Y37 WeakPolarHBondContact CG-OH 3.18Å; L21-Y37 PolarHBondContact N-OH 3.31Å; L21-A38 WeakPolarHBondContact CD1-O 3.41Å; L21-A38 WeakPolarHBondContact CG-O 3.21Å; L21-T39 HydrophobicContact CG-CG2 4.43Å; L21-I91 HydrophobicContact CD1-CB 4.47Å; L21-I91 HydrophobicContact CD1-CG1 4.35Å; L21-I91 HydrophobicContact CD1-CG2 4.21Å; L21-K94 HydrophobicContact CB-CB 4.23Å; L21-K94 HydrophobicContact CD1-CB 3.92Å; L21-R98 VanDerWaalsContact C-NH1 3.33Å; L21-R98 PolarHBondContact O-NH1 3.03Å
22T93.4Very high93.1Very high54 Ų5465.8 Ų65.833%0.33131%0.312SS..SBendtrans-117.1-22.9-16564.50000114.7N20 L24 A29 F90 K94N20-T22 VanDerWaalsContact C-N 3.32Å; N20-T22 PolarHBondContact O-N 3.16Å; N20-T22 PolarHBondContact OD1-N 3.04Å; N20-T22 PolarHBondContact OD1-OG1 2.98Å; N20-T22 VanDerWaalsContact OD1-OG1 3.12Å; T22-L24 VanDerWaalsContact C-N 3.28Å; T22-L24 PolarHBondContact OG1-N 3.13Å; T22-L24 VanDerWaalsContact OG1-N 3.11Å; T22-A29 WeakPolarHBondContact OG1-CB 3.45Å; T22-F90 HydrophobicContact CG2-CZ 4.47Å; T22-K94 HydrophobicContact CG2-CD 4.07Å; T22-K94 HydrophobicContact CG2-CG 4.02Å
23G92.5Very high93.2Very high23 Ų2364.3 Ų64.324%0.23731%0.313CS..SBendtrans82.8-8.5-16800000114.8F14 C15 N20F14-G23 CarbonylContact C-O 3.56Å; F14-G23 WeakPolarHBondContact CA-O 3.3Å; C15-G23 PolarHBondContact N-O 3.06Å; N20-G23 PolarHBondContact OD1-N 3.43Å
24L93.6Very high93.3Very high58 Ų5860.4 Ų60.430%0.30430%0.297SS..BIsolated β-bridgetrans-87144.9176.5-64.7175.4000111.9F14 N20 T22 T26 A29F14-L24 HydrophobicContact CD1-CD2 3.88Å; F14-L24 HydrophobicContact CE1-CD2 3.68Å; F14-L24 HydrophobicContact CZ-CD2 4.31Å; N20-L24 PolarHBondContact ND2-O 2.8Å; T22-L24 VanDerWaalsContact C-N 3.28Å; T22-L24 PolarHBondContact OG1-N 3.13Å; T22-L24 VanDerWaalsContact OG1-N 3.11Å; L24-T26 HydrophobicContact CB-CG2 4.37Å; L24-T26 PolarHBondContact O-N 3.44Å; L24-A29 VanDerWaalsContact O-CB 3.29Å; L24-A29 WeakPolarHBondContact O-CB 3.41Å
25C93.5Very high93.2Very high28 Ų2860.8 Ų60.819%0.18931%0.307CS..  trans-95.866.5176.7-164.30000111R6 K13 F14 C15R6-C25 HydrophobicContact CG-CB 4.23Å; K13-C25 HydrophobicContact CB-CB 4.14Å; K13-C25 WeakPolarHBondContact O-CB 3.15Å; K13-C25 PolarHBondContact O-N 3.46Å; F14-C25 WeakPolarHBondContact O-CB 3.34Å; C15-C25 HydrophobicContact CB-CB 4.02Å
26T92.6Very high93.3Very high68 Ų6863.2 Ų63.242%0.41732%0.317SS..  trans-102.7161.5168.373.10000110.5L24 Q28 A29 C30L24-T26 HydrophobicContact CB-CG2 4.37Å; L24-T26 PolarHBondContact O-N 3.44Å; T26-Q28 VanDerWaalsContact C-N 3.27Å; T26-Q28 PolarHBondContact O-N 3.04Å; T26-A29 PolarHBondContact O-N 3.42Å; T26-A29 VanDerWaalsContact O-N 3.13Å; T26-A29 VanDerWaalsContact OG1-CB 3.27Å; T26-A29 WeakPolarHBondContact OG1-CB 3.48Å; T26-A29 PolarHBondContact OG1-N 2.97Å; T26-A29 VanDerWaalsContact OG1-N 3.16Å; T26-C30 WeakPolarHBondContact O-CB 3.28Å; T26-C30 PolarHBondContact O-N 3.11Å
27R92.1Very high93.4Very high208 Ų20854.7 Ų54.779%0.78529%0.285SS*.THydrogen-bonded Turntrans-55.9-41.9176.9-172.7173.5177.8161.1-1.2111.7N34R27-N34 PolarHBondContact O-ND2 3Å
28Q93.1Very high93.6Very high119 Ų11953.3 Ų53.356%0.55628%0.278SS*.THydrogen-bonded Turntrans-72.2-28.5178-66.3176.5-10.300113.9T26 F90T26-Q28 VanDerWaalsContact C-N 3.27Å; T26-Q28 PolarHBondContact O-N 3.04Å; Q28-F90 HydrophobicContact CB-CD1 4.1Å; Q28-F90 HydrophobicContact CB-CE1 3.86Å; Q28-F90 HydrophobicContact CB-CZ 4.24Å
29A93.7Very high93.8Very high0 Ų047.6 Ų47.60%025%0.251CS..THydrogen-bonded Turntrans-91.9-15.2-176.700000114.2N20 T22 L24 T26 Y37N20-A29 PolarHBondContact ND2-O 3.13Å; N20-A29 PolarHBondContact OD1-O 3.11Å; T22-A29 WeakPolarHBondContact OG1-CB 3.45Å; L24-A29 VanDerWaalsContact O-CB 3.29Å; L24-A29 WeakPolarHBondContact O-CB 3.41Å; T26-A29 PolarHBondContact O-N 3.42Å; T26-A29 VanDerWaalsContact O-N 3.13Å; T26-A29 VanDerWaalsContact OG1-CB 3.27Å; T26-A29 WeakPolarHBondContact OG1-CB 3.48Å; T26-A29 PolarHBondContact OG1-N 2.97Å; T26-A29 VanDerWaalsContact OG1-N 3.16Å; A29-Y37 PolarHBondContact O-OH 3.08Å
30C93Very high93.9Very high20 Ų2044.7 Ų44.714%0.13524%0.24CC..  trans-82120.5-176.5-175.20000112.5T26 L32 S33 N34T26-C30 WeakPolarHBondContact O-CB 3.28Å; T26-C30 PolarHBondContact O-N 3.11Å; C30-L32 PolarHBondContact O-N 3.27Å; C30-S33 PolarHBondContact O-N 2.86Å; C30-N34 PolarHBondContact O-ND2 3.17Å
31P94.2Very high93.9Very high3 Ų347.5 Ų47.52%0.01925%0.25CS..THydrogen-bonded Turntrans-70.3-17.4179.930.2-37.5000113.7N17 W19 Y37 K52 W64N17-P31 HydrophobicContact CB-CG 4.21Å; N17-P31 WeakPolarHBondContact OD1-CG 3.24Å; W19-P31 HydrophobicContact CB-CB 3.96Å; W19-P31 HydrophobicContact CB-CG 3.94Å; W19-P31 WeakPolarHBondContact O-CB 3.47Å; W19-P31 WeakPolarHBondContact O-CG 3.24Å; P31-Y37 HydrophobicContact CB-CD1 4Å; P31-Y37 HydrophobicContact CB-CE1 3.95Å; P31-K52 PolarHBondContact O-NZ 3.19Å; P31-W64 HydrophobicContact CB-CH2 4.29Å; P31-W64 HydrophobicContact CB-CZ2 4.38Å
32L91.3Very high94.1Very high115 Ų11549.8 Ų49.860%0.60226%0.26SS*.THydrogen-bonded Turntrans-81.9-34.6173.8-59.1178.2000111.7C30 N34C30-L32 PolarHBondContact O-N 3.27Å; L32-N34 VanDerWaalsContact C-N 3.32Å; L32-N34 PolarHBondContact O-N 2.84Å
33S92.6Very high94.2Very high63 Ų6350.5 Ų50.544%0.44126%0.26SS..THydrogen-bonded Turntrans-77.4-13.2-177.4-171.60000114.5C30C30-S33 PolarHBondContact O-N 2.86Å
34N93.7Very high94.2Very high40 Ų4059.6 Ų59.621%0.21429%0.293CS..  trans-120.6125.3-176.1-60-73.5000109.4R27 C30 L32 Y37 K52R27-N34 PolarHBondContact O-ND2 3Å; C30-N34 PolarHBondContact O-ND2 3.17Å; L32-N34 VanDerWaalsContact C-N 3.32Å; L32-N34 PolarHBondContact O-N 2.84Å; N34-Y37 HydrophobicContact CB-CD2 3.99Å; N34-K52 PolarHBondContact O-NZ 2.88Å
35S92.9Very high94.2Very high62 Ų6258.5 Ų58.543%0.43430%0.296SS..SBendtrans-70.9-47.1177.548.30000111.3K52S35-K52 VanDerWaalsContact O-CD 3.31Å; S35-K52 WeakPolarHBondContact O-CD 3.3Å; S35-K52 WeakPolarHBondContact O-CE 3.21Å; S35-K52 WeakPolarHBondContact O-CG 3.27Å
36Q93.8Very high94.3Very high63 Ų6359.4 Ų59.429%0.29430%0.301SS..SBendtrans-88.2125.7167.4-169.6-17115.900109.8K52 V54 Y86 W87Q36-K52 WeakPolarHBondContact CA-O 3.39Å; Q36-V54 HydrophobicContact CB-CG2 4.05Å; Q36-Y86 PolarHBondContact NE2-O 3.38Å; Q36-W87 HydrophobicContact CG-CD2 4.39Å; Q36-W87 HydrophobicContact CG-CG 4.34Å; Q36-W87 HydrophobicContact CG-CZ2 4.5Å
37Y96.2Very high94.5Very high0 Ų056.5 Ų56.50%028%0.283CS..EExtended strand (participates in β ladder)trans-155.4168.4179.9-158.6-104.5000111.5W19 L21 A29 P31 N34 T39 K52 W64 W87 I91W19-Y37 WeakPolarHBondContact O-CE1 3.44Å; L21-Y37 HydrophobicContact CD1-CE1 4.22Å; L21-Y37 HydrophobicContact CD1-CE2 4.42Å; L21-Y37 HydrophobicContact CG-CE1 4.1Å; L21-Y37 WeakPolarHBondContact CG-OH 3.18Å; L21-Y37 PolarHBondContact N-OH 3.31Å; A29-Y37 PolarHBondContact O-OH 3.08Å; P31-Y37 HydrophobicContact CB-CD1 4Å; P31-Y37 HydrophobicContact CB-CE1 3.95Å; N34-Y37 HydrophobicContact CB-CD2 3.99Å; Y37-T39 HydrophobicContact CD1-CG2 3.91Å; Y37-T39 HydrophobicContact CE1-CG2 3.55Å; Y37-K52 PolarHBondContact N-O 3.02Å; Y37-K52 PolarHBondContact O-N 3.3Å; Y37-W64 AromaticContact CD1-CH2 3.95Å; Y37-W64 HydrophobicContact CD1-CH2 3.95Å; Y37-W64 HydrophobicContact CD1-CZ3 4.34Å; Y37-W87 PolarHBondContact O-NE1 2.9Å; Y37-I91 HydrophobicContact CD2-CD1 3.83Å; Y37-I91 HydrophobicContact CD2-CG1 4.33Å; Y37-I91 HydrophobicContact CE2-CD1 4.3Å; Y37-I91 HydrophobicContact CE2-CG1 4.33Å
38A97Very high94.8Very high0 Ų049 Ų490%025%0.254CS..EExtended strand (participates in β ladder)trans-148.5152.9168.800000111.2L21 L49 Y50 L84 I91L21-A38 WeakPolarHBondContact CD1-O 3.41Å; L21-A38 WeakPolarHBondContact CG-O 3.21Å; A38-L49 HydrophobicContact CB-CD1 4.48Å; A38-Y50 CarbonylContact C-O 3.54Å; A38-Y50 VanDerWaalsContact CA-O 3.22Å; A38-Y50 WeakPolarHBondContact CA-O 3.47Å; A38-L84 HydrophobicContact CB-CD1 4.07Å; A38-L84 HydrophobicContact CB-CD2 3.73Å; A38-I91 HydrophobicContact CB-CG2 3.72Å
39T96.9Very high95Very high1 Ų143.3 Ų43.31%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-140.5160.7175.761.50000111W19 L21 Y37 Y50 W64W19-T39 HydrophobicContact CB-CG2 4.19Å; W19-T39 WeakPolarHBondContact O-CG2 3.41Å; L21-T39 HydrophobicContact CG-CG2 4.43Å; Y37-T39 HydrophobicContact CD1-CG2 3.91Å; Y37-T39 HydrophobicContact CE1-CG2 3.55Å; T39-Y50 PolarHBondContact N-O 2.91Å; T39-Y50 PolarHBondContact O-N 3.07Å; T39-Y50 VanDerWaalsContact OG1-CB 3.26Å; T39-Y50 WeakPolarHBondContact OG1-CB 3.48Å; T39-W64 HydrophobicContact CG2-CH2 4.02Å; T39-W64 HydrophobicContact CG2-CZ3 4.17Å
40V97.2Very high95.1Very high0 Ų044.3 Ų44.30%023%0.232CC..EExtended strand (participates in β ladder)trans-116.5130.2165.3-176.70000108.2L47 Y48 L49 L69 I80 C95 R98 V99 L102V40-L47 HydrophobicContact CG1-CB 4.39Å; V40-Y48 WeakPolarHBondContact CA-O 3.33Å; V40-L49 HydrophobicContact CG2-CD1 4.05Å; V40-L69 HydrophobicContact CG1-CD1 3.99Å; V40-L69 HydrophobicContact CG2-CD1 4.49Å; V40-I80 HydrophobicContact CG2-CD1 4.08Å; V40-C95 HydrophobicContact CG2-CB 4.21Å; V40-R98 WeakPolarHBondContact O-CD 3.24Å; V40-R98 PolarHBondContact O-NE 3.41Å; V40-V99 HydrophobicContact CB-CG2 4.39Å; V40-V99 HydrophobicContact CG1-CG2 4.06Å; V40-V99 HydrophobicContact CG2-CG2 3.94Å; V40-L102 HydrophobicContact CB-CD1 4.36Å; V40-L102 HydrophobicContact CG1-CD1 3.88Å
41R96.1Very high95.3Very high63 Ų6344 Ų4424%0.23823%0.229CC..EExtended strand (participates in β ladder)trans-130.8141.9-179.4-171.1175.5-175.2150.24.6109.4E18 Y48 Y50E18-R41 IonicContact OE1-NH2 3.39Å; E18-R41 PolarHBondContact OE1-NH2 3.25Å; E18-R41 IonicContact OE2-CZ 3.64Å; E18-R41 IonicContact OE2-NH1 2.68Å; E18-R41 PolarHBondContact OE2-NH1 3.28Å; E18-R41 IonicContact OE2-NH2 3.41Å; E18-R41 PolarHBondContact OE2-NH2 2.82Å; R41-Y48 PolarHBondContact N-O 2.89Å; R41-Y48 PolarHBondContact O-N 3.42Å; R41-Y50 HydrophobicContact CB-CD2 3.87Å; R41-Y50 HydrophobicContact CB-CE2 3.94Å
42E95.7Very high95.3Very high57 Ų5744.7 Ų44.727%0.26623%0.231SC..EExtended strand (participates in β ladder)trans-90.5137172.5-173.7-109.7119.700109.7K44 G45 V46 L47 L102 L106E42-K44 PolarHBondContact OE1-N 3.22Å; E42-G45 PolarHBondContact OE1-N 3.41Å; E42-V46 WeakPolarHBondContact CA-O 3.43Å; E42-L47 HydrophobicContact CB-CD2 3.73Å; E42-L47 HydrophobicContact CG-CD2 3.89Å; E42-L102 HydrophobicContact CB-CD2 4.29Å; E42-L106 HydrophobicContact CG-CD1 4.25Å; E42-L106 HydrophobicContact CG-CD2 4.01Å; E42-L106 HydrophobicContact CG-CG 4.43Å
43E95.9Very high95.5Very high70 Ų7040.6 Ų40.633%0.32721%0.211SC..EExtended strand (participates in β ladder)trans-136.5120.3167.1-71.3-178.5-164.100109.2G45 V46 Y48 Y50 K66E43-G45 PolarHBondContact O-N 3.45Å; E43-V46 PolarHBondContact N-O 2.9Å; E43-V46 PolarHBondContact O-N 2.68Å; E43-Y48 HydrophobicContact CB-CD2 4.19Å; E43-Y48 HydrophobicContact CB-CE2 4.06Å; E43-Y48 HydrophobicContact CG-CD2 4.49Å; E43-Y50 PolarHBondContact OE1-OH 2.9Å; E43-K66 IonicContact OE1-NZ 2.74Å; E43-K66 PolarHBondContact OE1-NZ 2.94Å; E43-K66 IonicContact OE2-NZ 3.75Å; E43-K66 PolarHBondContact OE2-NZ 3.14Å
44K93.8Very high95.5Very high213 Ų21341.1 Ų41.193%0.92621%0.211SC*.THydrogen-bonded Turntrans53.339.1177.1-54.3-177.9178.4-1770112.7E42 V46E42-K44 PolarHBondContact OE1-N 3.22Å; K44-V46 VanDerWaalsContact C-N 3.27Å; K44-V46 PolarHBondContact O-N 2.71Å
45G92.8Very high95.5Very high36 Ų3645.9 Ų45.937%0.37123%0.233SC..THydrogen-bonded Turntrans771.2-177.900000115.7E42 E43E42-G45 PolarHBondContact OE1-N 3.41Å; E43-G45 PolarHBondContact O-N 3.45Å
46V95.5Very high95.5Very high46 Ų4647.2 Ų47.228%0.27923%0.228SC..EExtended strand (participates in β ladder)trans-102.8133.8175.1-179.10000109.7E42 E43 K44 Y48 K68E42-V46 WeakPolarHBondContact CA-O 3.43Å; E43-V46 PolarHBondContact N-O 2.9Å; E43-V46 PolarHBondContact O-N 2.68Å; K44-V46 VanDerWaalsContact C-N 3.27Å; K44-V46 PolarHBondContact O-N 2.71Å; V46-Y48 HydrophobicContact CB-CE2 3.84Å; V46-Y48 HydrophobicContact CG1-CD2 4.26Å; V46-Y48 HydrophobicContact CG1-CE1 4.48Å; V46-Y48 HydrophobicContact CG1-CE2 3.63Å; V46-K68 HydrophobicContact CG1-CD 4.32Å; V46-K68 HydrophobicContact CG1-CG 3.89Å
47L97.1Very high95.4Very high8 Ų847.5 Ų47.54%0.04224%0.237CC..EExtended strand (participates in β ladder)trans-88.5135176.1-56.5-169.6000111.1V40 E42 L69 V99 L102 H103 L106V40-L47 HydrophobicContact CG1-CB 4.39Å; E42-L47 HydrophobicContact CB-CD2 3.73Å; E42-L47 HydrophobicContact CG-CD2 3.89Å; L47-L69 HydrophobicContact CB-CB 4.37Å; L47-L69 HydrophobicContact CB-CD1 4.19Å; L47-L69 PolarHBondContact O-N 3.23Å; L47-V99 HydrophobicContact CD1-CG1 4.39Å; L47-L102 HydrophobicContact CD1-CB 4.19Å; L47-L102 HydrophobicContact CD2-CB 3.87Å; L47-L102 HydrophobicContact CD2-CD1 4.11Å; L47-H103 WeakPolarHBondContact CD1-NE2 3.26Å; L47-L106 HydrophobicContact CD2-CD1 3.99Å; L47-L106 HydrophobicContact CG-CD1 4.5Å
48Y97.7Very high95.2Very high49 Ų4953.4 Ų53.419%0.19227%0.265CS..EExtended strand (participates in β ladder)trans-122.9129.6175.7-68.2-86.4000110.5V40 R41 E43 V46 K66 V67 K68V40-Y48 WeakPolarHBondContact CA-O 3.33Å; R41-Y48 PolarHBondContact N-O 2.89Å; R41-Y48 PolarHBondContact O-N 3.42Å; E43-Y48 HydrophobicContact CB-CD2 4.19Å; E43-Y48 HydrophobicContact CB-CE2 4.06Å; E43-Y48 HydrophobicContact CG-CD2 4.49Å; V46-Y48 HydrophobicContact CB-CE2 3.84Å; V46-Y48 HydrophobicContact CG1-CD2 4.26Å; V46-Y48 HydrophobicContact CG1-CE1 4.48Å; V46-Y48 HydrophobicContact CG1-CE2 3.63Å; Y48-K66 HydrophobicContact CD1-CD 4.02Å; Y48-K66 HydrophobicContact CD1-CG 3.64Å; Y48-K66 HydrophobicContact CE1-CD 4.36Å; Y48-K66 VanDerWaalsContact CE1-CE 3.47Å; Y48-K66 HydrophobicContact CE1-CG 4.35Å; Y48-K66 HydrophobicContact CG-CD 4.38Å; Y48-K66 HydrophobicContact CG-CG 4.1Å; Y48-V67 CarbonylContact C-O 3.55Å; Y48-V67 VanDerWaalsContact CA-O 3.26Å; Y48-V67 WeakPolarHBondContact CA-O 3.45Å; Y48-K68 HydrophobicContact CD1-CB 4.06Å; Y48-K68 HydrophobicContact CE1-CB 3.75Å; Y48-K68 HydrophobicContact CE1-CG 4.11Å
49L97.5Very high95Very high0 Ų058.7 Ų58.70%029%0.288CS..EExtended strand (participates in β ladder)trans-79.3124.3164178.566.6000108.1A38 V40 M51 V67 L69 I80 R83 L84A38-L49 HydrophobicContact CB-CD1 4.48Å; V40-L49 HydrophobicContact CG2-CD1 4.05Å; L49-M51 HydrophobicContact CD2-CG 4.12Å; L49-M51 HydrophobicContact CD2-SD 3.85Å; L49-M51 HydrophobicContact CG-CG 3.91Å; L49-M51 HydrophobicContact CG-SD 4.31Å; L49-V67 PolarHBondContact N-O 3.31Å; L49-V67 PolarHBondContact O-N 2.99Å; L49-L69 HydrophobicContact CB-CD1 4.25Å; L49-L69 HydrophobicContact CB-CD2 4.05Å; L49-L69 HydrophobicContact CB-CG 4.14Å; L49-I80 HydrophobicContact CD1-CG1 4.29Å; L49-I80 HydrophobicContact CD2-CG1 4.23Å; L49-R83 HydrophobicContact CD2-CB 4.05Å; L49-L84 HydrophobicContact CD1-CD1 4.35Å
50Y97Very high94.7Very high21 Ų2163.1 Ų63.18%0.08232%0.316CS..EExtended strand (participates in β ladder)trans-113.2117-179.5-88.9-79.7000109.4W19 A38 T39 R41 E43 W64 E65 K66W19-Y50 HydrophobicContact CH2-CD1 4.31Å; W19-Y50 HydrophobicContact CH2-CE1 4.05Å; W19-Y50 AromaticContact CZ3-CD1 3.84Å; W19-Y50 HydrophobicContact CZ3-CD1 3.84Å; W19-Y50 AromaticContact CZ3-CD2 3.97Å; W19-Y50 HydrophobicContact CZ3-CD2 3.97Å; W19-Y50 AromaticContact CZ3-CE1 3.99Å; W19-Y50 HydrophobicContact CZ3-CE1 3.99Å; W19-Y50 HydrophobicContact CZ3-CE2 4.14Å; W19-Y50 AromaticContact CZ3-CG 3.79Å; W19-Y50 HydrophobicContact CZ3-CG 3.79Å; A38-Y50 CarbonylContact C-O 3.54Å; A38-Y50 VanDerWaalsContact CA-O 3.22Å; A38-Y50 WeakPolarHBondContact CA-O 3.47Å; T39-Y50 PolarHBondContact N-O 2.91Å; T39-Y50 PolarHBondContact O-N 3.07Å; T39-Y50 VanDerWaalsContact OG1-CB 3.26Å; T39-Y50 WeakPolarHBondContact OG1-CB 3.48Å; R41-Y50 HydrophobicContact CB-CD2 3.87Å; R41-Y50 HydrophobicContact CB-CE2 3.94Å; E43-Y50 PolarHBondContact OE1-OH 2.9Å; Y50-W64 HydrophobicContact CD1-CB 3.97Å; Y50-E65 CarbonylContact C-O 3.37Å; Y50-E65 VanDerWaalsContact CA-O 3.24Å; Y50-E65 WeakPolarHBondContact CA-O 3.21Å; Y50-E65 WeakPolarHBondContact CD1-O 3.35Å; Y50-K66 HydrophobicContact CD1-CB 4.13Å; Y50-K66 HydrophobicContact CD1-CG 4.39Å; Y50-K66 HydrophobicContact CE1-CB 3.76Å; Y50-K66 HydrophobicContact CE1-CD 3.98Å; Y50-K66 HydrophobicContact CE1-CG 3.82Å; Y50-K66 HydrophobicContact CE2-CD 4.42Å; Y50-K66 HydrophobicContact CE2-CG 4.23Å; Y50-K66 VanDerWaalsContact OH-CD 3.29Å; Y50-K66 WeakPolarHBondContact OH-CD 3.44Å; Y50-K66 VanDerWaalsContact OH-CE 3.24Å; Y50-K66 WeakPolarHBondContact OH-CE 3.26Å; Y50-K66 PolarHBondContact OH-NZ 3.32Å
51M96.2Very high94.5Very high14 Ų1470.9 Ų70.97%0.06936%0.358CS..EExtended strand (participates in β ladder)trans-114.7137.3-173.4-52.8-172.6-59.200110.7L49 W64 E65 V67 R83 L84 W87L49-M51 HydrophobicContact CD2-CG 4.12Å; L49-M51 HydrophobicContact CD2-SD 3.85Å; L49-M51 HydrophobicContact CG-CG 3.91Å; L49-M51 HydrophobicContact CG-SD 4.31Å; M51-W64 CarbonylContact O-C 3.5Å; M51-W64 WeakPolarHBondContact O-CA 3.4Å; M51-E65 HydrophobicContact CB-CB 4.34Å; M51-E65 HydrophobicContact CE-CB 4.44Å; M51-E65 PolarHBondContact N-O 3.15Å; M51-E65 PolarHBondContact O-N 3.47Å; M51-V67 HydrophobicContact CE-CG2 4.09Å; M51-R83 HydrophobicContact SD-CB 4.04Å; M51-L84 HydrophobicContact CG-CD2 4.29Å; M51-L84 HydrophobicContact SD-CD2 3.94Å; M51-W87 HydrophobicContact CB-CZ2 4.21Å; M51-W87 HydrophobicContact SD-CH2 4.48Å
52K94.9Very high94.4Very high17 Ų1776.8 Ų76.87%0.07438%0.38CS..EExtended strand (participates in β ladder)trans-117.4124.7178.7-173.6-166.8179.4-171.10108.5P31 N34 S35 Q36 Y37 L63 W64P31-K52 PolarHBondContact O-NZ 3.19Å; N34-K52 PolarHBondContact O-NZ 2.88Å; S35-K52 VanDerWaalsContact O-CD 3.31Å; S35-K52 WeakPolarHBondContact O-CD 3.3Å; S35-K52 WeakPolarHBondContact O-CE 3.21Å; S35-K52 WeakPolarHBondContact O-CG 3.27Å; Q36-K52 WeakPolarHBondContact CA-O 3.39Å; Y37-K52 PolarHBondContact N-O 3.02Å; Y37-K52 PolarHBondContact O-N 3.3Å; K52-L63 HydrophobicContact CD-CD1 4.48Å; K52-L63 HydrophobicContact CG-CD1 4.07Å; K52-L63 HydrophobicContact CG-CG 4.13Å; K52-W64 HydrophobicContact CB-CD2 4.36Å; K52-W64 HydrophobicContact CB-CE3 3.82Å; K52-W64 HydrophobicContact CB-CH2 4.25Å; K52-W64 HydrophobicContact CB-CZ3 3.77Å
53V94.5Very high94.2Very high30 Ų3075.8 Ų75.818%0.18238%0.376CS..  trans-114.6143.5-177.7-177.60000109.4E55 R56 W87V53-E55 VanDerWaalsContact C-N 3.26Å; V53-E55 HydrophobicContact CG1-CB 4.24Å; V53-E55 HydrophobicContact CG1-CG 4.2Å; V53-E55 PolarHBondContact O-N 3.03Å; V53-R56 PolarHBondContact O-N 3.49Å; V53-W87 HydrophobicContact CG2-CH2 4.44Å; V53-W87 HydrophobicContact CG2-CZ2 4.17Å
54V93.7Very high94.2Very high73 Ų7374.9 Ų74.944%0.44237%0.37SS..G310 helixtrans-55-42.8-176.3-173.50000111.8Q36 R56 S57Q36-V54 HydrophobicContact CB-CG2 4.05Å; V54-R56 VanDerWaalsContact C-N 3.28Å; V54-R56 PolarHBondContact O-N 2.96Å; V54-S57 WeakPolarHBondContact O-CB 3.49Å; V54-S57 PolarHBondContact O-N 2.9Å; V54-S57 VanDerWaalsContact O-N 3.12Å; V54-S57 PolarHBondContact O-OG 3.27Å
55E93.1Very high94.2Very high141 Ų14167.6 Ų67.666%0.65934%0.339SS*.G310 helixtrans-52.3-41.6180-63166.1-176.600113.1V53 S57 H58V53-E55 VanDerWaalsContact C-N 3.26Å; V53-E55 HydrophobicContact CG1-CB 4.24Å; V53-E55 HydrophobicContact CG1-CG 4.2Å; V53-E55 PolarHBondContact O-N 3.03Å; E55-S57 VanDerWaalsContact C-N 3.29Å; E55-S57 PolarHBondContact O-N 3.47Å; E55-H58 PolarHBondContact O-CE1 3.41Å; E55-H58 PolarHBondContact O-ND1 3.33Å
56R93.7Very high94.3Very high89 Ų8970.2 Ų70.234%0.33634%0.34SS..G310 helixtrans-88.46.9-174.6-56.5-170-166.8154.317.6113.9V53 V54 H58 F59 L63 E65V53-R56 PolarHBondContact O-N 3.49Å; V54-R56 VanDerWaalsContact C-N 3.28Å; V54-R56 PolarHBondContact O-N 2.96Å; R56-H58 PolarHBondContact O-N 3Å; R56-H58 VanDerWaalsContact O-N 3.17Å; R56-F59 PolarHBondContact O-N 3.5Å; R56-L63 WeakPolarHBondContact O-CD1 3.4Å; R56-E65 IonicContact CZ-OE1 3.32Å; R56-E65 VanDerWaalsContact NH1-CD 3.31Å; R56-E65 IonicContact NH1-OE1 2.72Å; R56-E65 PolarHBondContact NH1-OE1 2.84Å; R56-E65 IonicContact NH2-OE1 3.24Å; R56-E65 PolarHBondContact NH2-OE1 3.36Å
57S90.8Very high94.4Very high70 Ų7069.8 Ų69.849%0.4934%0.338SS..G310 helixtrans-53.8-32.3176.455.10000113.9V54 E55V54-S57 WeakPolarHBondContact O-CB 3.49Å; V54-S57 PolarHBondContact O-N 2.9Å; V54-S57 VanDerWaalsContact O-N 3.12Å; V54-S57 PolarHBondContact O-OG 3.27Å; E55-S57 VanDerWaalsContact C-N 3.29Å; E55-S57 PolarHBondContact O-N 3.47Å
58H91.8Very high94.4Very high124 Ų12475.9 Ų75.957%0.57436%0.364SS*.G310 helixtrans-78.8-12178.666.6-84.3000114.6E55 R56 P60E55-H58 PolarHBondContact O-CE1 3.41Å; E55-H58 PolarHBondContact O-ND1 3.33Å; R56-H58 PolarHBondContact O-N 3Å; R56-H58 VanDerWaalsContact O-N 3.17Å; H58-P60 VanDerWaalsContact O-CD 3.31Å; H58-P60 WeakPolarHBondContact O-CD 3.25Å
59F93.3Very high94.4Very high110 Ų11073.9 Ų73.948%0.48236%0.356SS..  trans-114.682.3177.7-69-44.8000111.3R56 N61 R62 L63R56-F59 PolarHBondContact O-N 3.5Å; F59-N61 PolarHBondContact O-N 2.85Å; F59-N61 VanDerWaalsContact O-N 3.1Å; F59-R62 HydrophobicContact CB-CB 4.25Å; F59-R62 CarbonylContact O-C 3.45Å; F59-R62 PolarHBondContact O-N 2.7Å; F59-L63 PolarHBondContact O-N 2.75Å
60P90.9Very high94.3Very high94 Ų9475.6 Ų75.661%0.6137%0.369SS*.G310 helixtrans-55.4-34.8-177.420.4-32.6000113.4H58 R62 L63H58-P60 VanDerWaalsContact O-CD 3.31Å; H58-P60 WeakPolarHBondContact O-CD 3.25Å; P60-R62 PolarHBondContact O-N 3.14Å; P60-L63 WeakPolarHBondContact O-CB 3.48Å; P60-L63 PolarHBondContact O-N 2.67Å
61N93.3Very high94.2Very high163 Ų16383.2 Ų83.287%0.87240%0.397SS*.G310 helixtrans-69.8-15.5177.9-63.6-9.4000114.3F59F59-N61 PolarHBondContact O-N 2.85Å; F59-N61 VanDerWaalsContact O-N 3.1Å
62R92.3Very high94.2Very high188 Ų18886.8 Ų86.871%0.70942%0.417SS*.G310 helixtrans-128.620.1179.8-62.7-177178.6172.30.1112.1F59 P60 W64F59-R62 HydrophobicContact CB-CB 4.25Å; F59-R62 CarbonylContact O-C 3.45Å; F59-R62 PolarHBondContact O-N 2.7Å; P60-R62 PolarHBondContact O-N 3.14Å; R62-W64 VanDerWaalsContact C-N 3.25Å; R62-W64 PolarHBondContact O-N 2.67Å
63L93.1Very high94.1Very high35 Ų3589.5 Ų89.518%0.18343%0.429CS..  trans-64.7-28.2-172.4-176.862.4000113.5K52 R56 F59 P60K52-L63 HydrophobicContact CD-CD1 4.48Å; K52-L63 HydrophobicContact CG-CD1 4.07Å; K52-L63 HydrophobicContact CG-CG 4.13Å; R56-L63 WeakPolarHBondContact O-CD1 3.4Å; F59-L63 PolarHBondContact O-N 2.75Å; P60-L63 WeakPolarHBondContact O-CB 3.48Å; P60-L63 PolarHBondContact O-N 2.67Å
64W94.6Very high94.3Very high51 Ų5193.4 Ų93.419%0.19345%0.449CS..EExtended strand (participates in β ladder)trans-115.5127.9-176.4-61.296.6000111.6W19 P31 Y37 T39 Y50 M51 K52 R62W19-W64 HydrophobicContact CB-CH2 3.8Å; W19-W64 HydrophobicContact CB-CZ2 3.53Å; W19-W64 AromaticContact CD2-CE2 3.89Å; W19-W64 HydrophobicContact CD2-CH2 4.48Å; W19-W64 AromaticContact CD2-CZ2 3.84Å; W19-W64 HydrophobicContact CD2-CZ2 3.84Å; W19-W64 AromaticContact CE2-NE1 3.99Å; W19-W64 HydrophobicContact CE3-CD2 4.39Å; W19-W64 HydrophobicContact CE3-CH2 4.46Å; W19-W64 HydrophobicContact CE3-CZ2 4.16Å; W19-W64 HydrophobicContact CG-CH2 4.23Å; W19-W64 AromaticContact CG-CZ2 3.55Å; W19-W64 HydrophobicContact CG-CZ2 3.55Å; P31-W64 HydrophobicContact CB-CH2 4.29Å; P31-W64 HydrophobicContact CB-CZ2 4.38Å; Y37-W64 AromaticContact CD1-CH2 3.95Å; Y37-W64 HydrophobicContact CD1-CH2 3.95Å; Y37-W64 HydrophobicContact CD1-CZ3 4.34Å; T39-W64 HydrophobicContact CG2-CH2 4.02Å; T39-W64 HydrophobicContact CG2-CZ3 4.17Å; Y50-W64 HydrophobicContact CD1-CB 3.97Å; M51-W64 CarbonylContact O-C 3.5Å; M51-W64 WeakPolarHBondContact O-CA 3.4Å; K52-W64 HydrophobicContact CB-CD2 4.36Å; K52-W64 HydrophobicContact CB-CE3 3.82Å; K52-W64 HydrophobicContact CB-CH2 4.25Å; K52-W64 HydrophobicContact CB-CZ3 3.77Å; R62-W64 VanDerWaalsContact C-N 3.25Å; R62-W64 PolarHBondContact O-N 2.67Å
65E94.6Very high94.5Very high61 Ų6196.1 Ų96.129%0.28545%0.454SS..EExtended strand (participates in β ladder)trans-77.7149.7159-61.9-169134.900110Y50 M51 R56Y50-E65 CarbonylContact C-O 3.37Å; Y50-E65 VanDerWaalsContact CA-O 3.24Å; Y50-E65 WeakPolarHBondContact CA-O 3.21Å; Y50-E65 WeakPolarHBondContact CD1-O 3.35Å; M51-E65 HydrophobicContact CB-CB 4.34Å; M51-E65 HydrophobicContact CE-CB 4.44Å; M51-E65 PolarHBondContact N-O 3.15Å; M51-E65 PolarHBondContact O-N 3.47Å; R56-E65 IonicContact CZ-OE1 3.32Å; R56-E65 VanDerWaalsContact NH1-CD 3.31Å; R56-E65 IonicContact NH1-OE1 2.72Å; R56-E65 PolarHBondContact NH1-OE1 2.84Å; R56-E65 IonicContact NH2-OE1 3.24Å; R56-E65 PolarHBondContact NH2-OE1 3.36Å
66K95.2Very high94.7Very high90 Ų9089.4 Ų89.439%0.39142%0.423SS..EExtended strand (participates in β ladder)trans-129.5118.3-179.3-178.2-179.9-172.7157.80109.4E43 Y48 Y50E43-K66 IonicContact OE1-NZ 2.74Å; E43-K66 PolarHBondContact OE1-NZ 2.94Å; E43-K66 IonicContact OE2-NZ 3.75Å; E43-K66 PolarHBondContact OE2-NZ 3.14Å; Y48-K66 HydrophobicContact CD1-CD 4.02Å; Y48-K66 HydrophobicContact CD1-CG 3.64Å; Y48-K66 HydrophobicContact CE1-CD 4.36Å; Y48-K66 VanDerWaalsContact CE1-CE 3.47Å; Y48-K66 HydrophobicContact CE1-CG 4.35Å; Y48-K66 HydrophobicContact CG-CD 4.38Å; Y48-K66 HydrophobicContact CG-CG 4.1Å; Y50-K66 HydrophobicContact CD1-CB 4.13Å; Y50-K66 HydrophobicContact CD1-CG 4.39Å; Y50-K66 HydrophobicContact CE1-CB 3.76Å; Y50-K66 HydrophobicContact CE1-CD 3.98Å; Y50-K66 HydrophobicContact CE1-CG 3.82Å; Y50-K66 HydrophobicContact CE2-CD 4.42Å; Y50-K66 HydrophobicContact CE2-CG 4.23Å; Y50-K66 VanDerWaalsContact OH-CD 3.29Å; Y50-K66 WeakPolarHBondContact OH-CD 3.44Å; Y50-K66 VanDerWaalsContact OH-CE 3.24Å; Y50-K66 WeakPolarHBondContact OH-CE 3.26Å; Y50-K66 PolarHBondContact OH-NZ 3.32Å
67V96.9Very high94.8Very high37 Ų3786.2 Ų86.222%0.22441%0.413CS..EExtended strand (participates in β ladder)trans-120.8130.8177.7-168.80000109Y48 L49 M51 R83Y48-V67 CarbonylContact C-O 3.55Å; Y48-V67 VanDerWaalsContact CA-O 3.26Å; Y48-V67 WeakPolarHBondContact CA-O 3.45Å; L49-V67 PolarHBondContact N-O 3.31Å; L49-V67 PolarHBondContact O-N 2.99Å; M51-V67 HydrophobicContact CE-CG2 4.09Å; V67-R83 VanDerWaalsContact CG1-CZ 3.48Å
68K97.3Very high95.1Very high137 Ų13785.7 Ų85.760%0.59641%0.409SS*.EExtended strand (participates in β ladder)trans-74.1129.8175.2-176-178.4175.9-174.50108.9V46 Y48V46-K68 HydrophobicContact CG1-CD 4.32Å; V46-K68 HydrophobicContact CG1-CG 3.89Å; Y48-K68 HydrophobicContact CD1-CB 4.06Å; Y48-K68 HydrophobicContact CE1-CB 3.75Å; Y48-K68 HydrophobicContact CE1-CG 4.11Å
69L97.3Very high95.4Very high6 Ų681.1 Ų81.13%0.03139%0.389CS..PPolyproline II helixtrans-89.6155.7171.7-64.5170.1000110.6V40 L47 L49 A76 E79 I80 V99V40-L69 HydrophobicContact CG1-CD1 3.99Å; V40-L69 HydrophobicContact CG2-CD1 4.49Å; L47-L69 HydrophobicContact CB-CB 4.37Å; L47-L69 HydrophobicContact CB-CD1 4.19Å; L47-L69 PolarHBondContact O-N 3.23Å; L49-L69 HydrophobicContact CB-CD1 4.25Å; L49-L69 HydrophobicContact CB-CD2 4.05Å; L49-L69 HydrophobicContact CB-CG 4.14Å; L69-A76 HydrophobicContact CB-CB 4.07Å; L69-E79 HydrophobicContact CD2-CB 3.96Å; L69-I80 HydrophobicContact CD1-CD1 3.96Å; L69-I80 HydrophobicContact CD1-CG1 4.43Å; L69-I80 HydrophobicContact CD2-CD1 4.31Å; L69-I80 HydrophobicContact CD2-CG1 3.92Å; L69-V99 HydrophobicContact CD1-CG2 4.42Å
70S96.3Very high95.6Very high37 Ų3775.9 Ų75.926%0.25937%0.366SS..PPolyproline II helixtrans-58156.1170.6-166.90000112.8N72 E79S70-N72 VanDerWaalsContact C-N 3.26Å; S70-N72 PolarHBondContact OG-N 3.02Å; S70-E79 WeakPolarHBondContact CB-OE1 3.48Å; S70-E79 PolarHBondContact N-OE1 2.93Å
71R94Very high95.9Very high180 Ų18073.9 Ų73.968%0.67935%0.35SS*.SBendtrans-68.9-25.9167.7-73.1178.1172.5-168.9-7.7111.9H103 E251R71-H103 PolarHBondContact O-CE1 3.18Å; R71-E251 IonicContact CZ-OE1 2.74Å; R71-E251 VanDerWaalsContact CZ-OE1 3.24Å; R71-E251 IonicContact NH1-OE1 2.74Å; R71-E251 PolarHBondContact NH1-OE1 3.27Å; R71-E251 IonicContact NH1-OE2 3.22Å; R71-E251 PolarHBondContact NH1-OE2 3.46Å; R71-E251 IonicContact NH2-OE1 2.65Å; R71-E251 PolarHBondContact NH2-OE1 2.99Å
72N95.7Very high96.1Very high90 Ų9071.8 Ų71.848%0.48134%0.335SS..SBendtrans-84.5128.5-178.4-64.635000109.6S70 D74 K75 A76S70-N72 VanDerWaalsContact C-N 3.26Å; S70-N72 PolarHBondContact OG-N 3.02Å; N72-D74 PolarHBondContact O-N 3.4Å; N72-K75 HydrophobicContact CB-CB 4.21Å; N72-K75 HydrophobicContact CB-CD 4.24Å; N72-K75 HydrophobicContact CB-CG 4.19Å; N72-K75 PolarHBondContact O-N 2.95Å; N72-A76 WeakPolarHBondContact O-CB 3.45Å; N72-A76 PolarHBondContact O-N 2.89Å
73F94.7Very high96.3Very high74 Ų7466.4 Ų66.433%0.32531%0.314SS..Hα-helixtrans-55.1-51.3-175.2172.1-108.7000112.8K75 A76 V77 V99 I100F73-K75 PolarHBondContact O-N 3.2Å; F73-A76 CarbonylContact O-C 3.53Å; F73-A76 WeakPolarHBondContact O-CB 3.32Å; F73-A76 PolarHBondContact O-N 3.36Å; F73-A76 VanDerWaalsContact O-N 3.16Å; F73-V77 HydrophobicContact CD1-CG2 4.48Å; F73-V77 HydrophobicContact CD2-CG2 4.08Å; F73-V77 HydrophobicContact CE1-CG2 4.03Å; F73-V77 HydrophobicContact CE2-CG2 3.56Å; F73-V77 HydrophobicContact CZ-CG2 3.54Å; F73-V77 VanDerWaalsContact O-CG2 3.31Å; F73-V77 WeakPolarHBondContact O-CG2 3.14Å; F73-V77 PolarHBondContact O-N 3.23Å; F73-V99 HydrophobicContact CD2-CG1 3.91Å; F73-V99 HydrophobicContact CE2-CG1 3.94Å; F73-I100 HydrophobicContact CE2-CB 4.42Å; F73-I100 HydrophobicContact CE2-CD1 4.49Å; F73-I100 HydrophobicContact CE2-CG1 3.44Å; F73-I100 VanDerWaalsContact CE2-CG1 3.44Å; F73-I100 HydrophobicContact CZ-CD1 4.13Å; F73-I100 HydrophobicContact CZ-CG1 3.51Å
74D97.1Very high96.4Very high112 Ų11264.8 Ų64.860%0.59931%0.306SS*.Hα-helixtrans-66.9-40.7-173.3-42.7-79.2000111.4N72 V77 S78N72-D74 PolarHBondContact O-N 3.4Å; D74-V77 WeakPolarHBondContact O-CB 3.44Å; D74-V77 PolarHBondContact O-N 3.37Å; D74-V77 VanDerWaalsContact O-N 3.13Å; D74-S78 PolarHBondContact O-N 3.48Å; D74-S78 PolarHBondContact O-OG 2.9Å
75K97.5Very high96.5Very high130 Ų13066.8 Ų66.857%0.56532%0.319SS*.Hα-helixtrans-61.3-45.4173.2-64.7-172.7177.2-177.70110.9N72 F73 V77 S78 E79N72-K75 HydrophobicContact CB-CB 4.21Å; N72-K75 HydrophobicContact CB-CD 4.24Å; N72-K75 HydrophobicContact CB-CG 4.19Å; N72-K75 PolarHBondContact O-N 2.95Å; F73-K75 PolarHBondContact O-N 3.2Å; K75-V77 PolarHBondContact O-N 3.02Å; K75-S78 PolarHBondContact O-N 3.45Å; K75-E79 WeakPolarHBondContact O-CB 3.36Å; K75-E79 VanDerWaalsContact O-CG 3.29Å; K75-E79 WeakPolarHBondContact O-CG 3.42Å; K75-E79 PolarHBondContact O-N 3.3Å
76A97.4Very high96.5Very high0 Ų073 Ų730%034%0.342CS..Hα-helixtrans-64.1-25.4175.800000113.4L69 N72 F73 I80L69-A76 HydrophobicContact CB-CB 4.07Å; N72-A76 WeakPolarHBondContact O-CB 3.45Å; N72-A76 PolarHBondContact O-N 2.89Å; F73-A76 CarbonylContact O-C 3.53Å; F73-A76 WeakPolarHBondContact O-CB 3.32Å; F73-A76 PolarHBondContact O-N 3.36Å; F73-A76 VanDerWaalsContact O-N 3.16Å; A76-I80 WeakPolarHBondContact O-CD1 3.2Å; A76-I80 VanDerWaalsContact O-CG1 3.24Å; A76-I80 WeakPolarHBondContact O-CG1 3.35Å; A76-I80 PolarHBondContact O-N 2.59Å
77V97.3Very high96.4Very high22 Ų2270.2 Ų70.213%0.13333%0.329CS..Hα-helixtrans-77.4-45.4174.7170.90000111.3F73 D74 K75 I80 D81 K96F73-V77 HydrophobicContact CD1-CG2 4.48Å; F73-V77 HydrophobicContact CD2-CG2 4.08Å; F73-V77 HydrophobicContact CE1-CG2 4.03Å; F73-V77 HydrophobicContact CE2-CG2 3.56Å; F73-V77 HydrophobicContact CZ-CG2 3.54Å; F73-V77 VanDerWaalsContact O-CG2 3.31Å; F73-V77 WeakPolarHBondContact O-CG2 3.14Å; F73-V77 PolarHBondContact O-N 3.23Å; D74-V77 WeakPolarHBondContact O-CB 3.44Å; D74-V77 PolarHBondContact O-N 3.37Å; D74-V77 VanDerWaalsContact O-N 3.13Å; K75-V77 PolarHBondContact O-N 3.02Å; V77-I80 WeakPolarHBondContact O-CB 3.36Å; V77-I80 PolarHBondContact O-N 3.25Å; V77-I80 VanDerWaalsContact O-N 3.14Å; V77-D81 PolarHBondContact O-N 2.99Å; V77-D81 VanDerWaalsContact O-N 3.11Å; V77-K96 HydrophobicContact CG1-CD 3.86Å; V77-K96 HydrophobicContact CG1-CG 4.28Å
78S97.5Very high96.4Very high58 Ų5871.6 Ų71.641%0.40634%0.338SS..Hα-helixtrans-61.4-45.8173.9-58.30000111.6D74 K75 I80 D81 E82D74-S78 PolarHBondContact O-N 3.48Å; D74-S78 PolarHBondContact O-OG 2.9Å; K75-S78 PolarHBondContact O-N 3.45Å; S78-I80 PolarHBondContact O-N 3.06Å; S78-D81 PolarHBondContact O-N 2.67Å; S78-E82 WeakPolarHBondContact O-CG 3.28Å; S78-E82 PolarHBondContact O-N 3.38Å
79E97.3Very high96.3Very high29 Ų2973.9 Ų73.914%0.13635%0.348CS..Hα-helixtrans-55.6-20.2173.1-87.4-166.7-98.700114.7L69 S70 K75 R83L69-E79 HydrophobicContact CD2-CB 3.96Å; S70-E79 WeakPolarHBondContact CB-OE1 3.48Å; S70-E79 PolarHBondContact N-OE1 2.93Å; K75-E79 WeakPolarHBondContact O-CB 3.36Å; K75-E79 VanDerWaalsContact O-CG 3.29Å; K75-E79 WeakPolarHBondContact O-CG 3.42Å; K75-E79 PolarHBondContact O-N 3.3Å; E79-R83 WeakPolarHBondContact O-CD 3.43Å; E79-R83 VanDerWaalsContact O-CG 3.32Å; E79-R83 WeakPolarHBondContact O-CG 3.38Å; E79-R83 PolarHBondContact O-NH1 3.21Å; E79-R83 VanDerWaalsContact O-NH1 3.17Å; E79-R83 IonicContact OE2-CZ 3.84Å; E79-R83 VanDerWaalsContact OE2-CZ 3.22Å; E79-R83 IonicContact OE2-NH1 2.64Å; E79-R83 PolarHBondContact OE2-NH1 3.37Å; E79-R83 IonicContact OE2-NH2 3.13Å; E79-R83 PolarHBondContact OE2-NH2 3.37Å
80I97.5Very high96.2Very high0 Ų076.7 Ų76.70%036%0.36CS..Hα-helixtrans-92.1-35.9175-77.1171.7000111.1V40 L49 L69 A76 V77 S78 L84 R92 C95 K96 V99V40-I80 HydrophobicContact CG2-CD1 4.08Å; L49-I80 HydrophobicContact CD1-CG1 4.29Å; L49-I80 HydrophobicContact CD2-CG1 4.23Å; L69-I80 HydrophobicContact CD1-CD1 3.96Å; L69-I80 HydrophobicContact CD1-CG1 4.43Å; L69-I80 HydrophobicContact CD2-CD1 4.31Å; L69-I80 HydrophobicContact CD2-CG1 3.92Å; A76-I80 WeakPolarHBondContact O-CD1 3.2Å; A76-I80 VanDerWaalsContact O-CG1 3.24Å; A76-I80 WeakPolarHBondContact O-CG1 3.35Å; A76-I80 PolarHBondContact O-N 2.59Å; V77-I80 WeakPolarHBondContact O-CB 3.36Å; V77-I80 PolarHBondContact O-N 3.25Å; V77-I80 VanDerWaalsContact O-N 3.14Å; S78-I80 PolarHBondContact O-N 3.06Å; I80-L84 HydrophobicContact CG2-CD1 3.83Å; I80-L84 HydrophobicContact CG2-CG 4.41Å; I80-L84 WeakPolarHBondContact O-CB 3.5Å; I80-L84 VanDerWaalsContact O-CG 3.31Å; I80-L84 WeakPolarHBondContact O-CG 3.48Å; I80-L84 PolarHBondContact O-N 3.49Å; I80-R92 HydrophobicContact CG2-CG 4.49Å; I80-C95 HydrophobicContact CG2-CB 4.01Å; I80-K96 HydrophobicContact CG2-CG 4.37Å; I80-V99 HydrophobicContact CD1-CG2 3.4Å
81D97.3Very high96.2Very high51 Ų5175.2 Ų75.227%0.27335%0.35SS..Hα-helixtrans-66.2-46.6173.3-74.4-37.3000111.6V77 S78 R83 L84 I85 R92 K96V77-D81 PolarHBondContact O-N 2.99Å; V77-D81 VanDerWaalsContact O-N 3.11Å; S78-D81 PolarHBondContact O-N 2.67Å; D81-R83 VanDerWaalsContact C-N 3.32Å; D81-R83 PolarHBondContact O-N 3.05Å; D81-L84 PolarHBondContact O-N 2.88Å; D81-I85 WeakPolarHBondContact O-CG1 3.31Å; D81-I85 PolarHBondContact O-N 2.97Å; D81-R92 WeakPolarHBondContact OD1-CD 3.42Å; D81-K96 VanDerWaalsContact CG-CE 3.44Å; D81-K96 WeakPolarHBondContact OD1-CE 3.34Å; D81-K96 IonicContact OD1-NZ 3.83Å; D81-K96 PolarHBondContact OD1-NZ 2.81Å; D81-K96 VanDerWaalsContact OD2-CE 3.31Å; D81-K96 WeakPolarHBondContact OD2-CE 3.34Å; D81-K96 IonicContact OD2-NZ 2.65Å; D81-K96 PolarHBondContact OD2-NZ 3.49Å
82E97.2Very high96.3Very high120 Ų12069.7 Ų69.756%0.56133%0.329SS*.THydrogen-bonded Turntrans-57-41.1178.2-71.9163.4-15700112.7S78 I85S78-E82 WeakPolarHBondContact O-CG 3.28Å; S78-E82 PolarHBondContact O-N 3.38Å; E82-I85 WeakPolarHBondContact O-CD1 3.49Å; E82-I85 VanDerWaalsContact O-CG1 3.3Å; E82-I85 WeakPolarHBondContact O-CG1 3.49Å
83R96.3Very high96.3Very high75 Ų7571.9 Ų71.928%0.28333%0.331SS..THydrogen-bonded Turntrans-89.7-24-175.7-61.3-176.4-166.4120.9-5.7113.1L49 M51 V67 E79 D81 W87L49-R83 HydrophobicContact CD2-CB 4.05Å; M51-R83 HydrophobicContact SD-CB 4.04Å; V67-R83 VanDerWaalsContact CG1-CZ 3.48Å; E79-R83 WeakPolarHBondContact O-CD 3.43Å; E79-R83 VanDerWaalsContact O-CG 3.32Å; E79-R83 WeakPolarHBondContact O-CG 3.38Å; E79-R83 PolarHBondContact O-NH1 3.21Å; E79-R83 VanDerWaalsContact O-NH1 3.17Å; E79-R83 IonicContact OE2-CZ 3.84Å; E79-R83 VanDerWaalsContact OE2-CZ 3.22Å; E79-R83 IonicContact OE2-NH1 2.64Å; E79-R83 PolarHBondContact OE2-NH1 3.37Å; E79-R83 IonicContact OE2-NH2 3.13Å; E79-R83 PolarHBondContact OE2-NH2 3.37Å; D81-R83 VanDerWaalsContact C-N 3.32Å; D81-R83 PolarHBondContact O-N 3.05Å; R83-W87 VanDerWaalsContact O-CZ3 3.3Å; R83-W87 WeakPolarHBondContact O-CZ3 3.38Å
84L96.3Very high96.5Very high0 Ų070.9 Ų70.90%033%0.327CS..  trans-102.124.4179.7-57.4-173.8000113.5A38 L49 M51 I80 D81 Y86 W87 R92 C95A38-L84 HydrophobicContact CB-CD1 4.07Å; A38-L84 HydrophobicContact CB-CD2 3.73Å; L49-L84 HydrophobicContact CD1-CD1 4.35Å; M51-L84 HydrophobicContact CG-CD2 4.29Å; M51-L84 HydrophobicContact SD-CD2 3.94Å; I80-L84 HydrophobicContact CG2-CD1 3.83Å; I80-L84 HydrophobicContact CG2-CG 4.41Å; I80-L84 WeakPolarHBondContact O-CB 3.5Å; I80-L84 VanDerWaalsContact O-CG 3.31Å; I80-L84 WeakPolarHBondContact O-CG 3.48Å; I80-L84 PolarHBondContact O-N 3.49Å; D81-L84 PolarHBondContact O-N 2.88Å; L84-Y86 VanDerWaalsContact C-N 3.29Å; L84-Y86 PolarHBondContact O-N 2.89Å; L84-W87 HydrophobicContact CB-CB 4.08Å; L84-W87 HydrophobicContact CB-CG 4.44Å; L84-W87 HydrophobicContact CD2-CB 4.36Å; L84-W87 HydrophobicContact CD2-CD2 3.72Å; L84-W87 HydrophobicContact CD2-CE3 4.08Å; L84-W87 HydrophobicContact CD2-CG 3.85Å; L84-W87 PolarHBondContact O-N 3.4Å; L84-W87 VanDerWaalsContact O-N 3.11Å; L84-R92 HydrophobicContact CB-CB 4.49Å; L84-R92 HydrophobicContact CB-CG 4.08Å; L84-R92 HydrophobicContact CD1-CG 4.44Å; L84-R92 VanDerWaalsContact O-CZ 3.25Å; L84-R92 PolarHBondContact O-NE 3.31Å; L84-R92 PolarHBondContact O-NH2 3.08Å; L84-C95 HydrophobicContact CD1-CB 4.17Å
85I95.5Very high96.4Very high94 Ų9465.5 Ų65.548%0.48230%0.298SS..THydrogen-bonded Turntrans-49.7-48.4176.5-67.8171.6000111.3D81 E82 R92D81-I85 WeakPolarHBondContact O-CG1 3.31Å; D81-I85 PolarHBondContact O-N 2.97Å; E82-I85 WeakPolarHBondContact O-CD1 3.49Å; E82-I85 VanDerWaalsContact O-CG1 3.3Å; E82-I85 WeakPolarHBondContact O-CG1 3.49Å; I85-R92 PolarHBondContact O-NH2 3.16Å
86Y94.2Very high96.4Very high192 Ų19262 Ų6275%0.75328%0.283SS*.THydrogen-bonded Turntrans-918.8-177-53.9-67.1000114.7Q36 L84Q36-Y86 PolarHBondContact NE2-O 3.38Å; L84-Y86 VanDerWaalsContact C-N 3.29Å; L84-Y86 PolarHBondContact O-N 2.89Å
87W94.7Very high96.4Very high31 Ų3165.6 Ų65.612%0.11730%0.3CS..SBendtrans-97.4149.1178.3-82.2-112.8000111.8Q36 Y37 M51 V53 R83 L84 K89Q36-W87 HydrophobicContact CG-CD2 4.39Å; Q36-W87 HydrophobicContact CG-CG 4.34Å; Q36-W87 HydrophobicContact CG-CZ2 4.5Å; Y37-W87 PolarHBondContact O-NE1 2.9Å; M51-W87 HydrophobicContact CB-CZ2 4.21Å; M51-W87 HydrophobicContact SD-CH2 4.48Å; V53-W87 HydrophobicContact CG2-CH2 4.44Å; V53-W87 HydrophobicContact CG2-CZ2 4.17Å; R83-W87 VanDerWaalsContact O-CZ3 3.3Å; R83-W87 WeakPolarHBondContact O-CZ3 3.38Å; L84-W87 HydrophobicContact CB-CB 4.08Å; L84-W87 HydrophobicContact CB-CG 4.44Å; L84-W87 HydrophobicContact CD2-CB 4.36Å; L84-W87 HydrophobicContact CD2-CD2 3.72Å; L84-W87 HydrophobicContact CD2-CE3 4.08Å; L84-W87 HydrophobicContact CD2-CG 3.85Å; L84-W87 PolarHBondContact O-N 3.4Å; L84-W87 VanDerWaalsContact O-N 3.11Å; W87-K89 PolarHBondContact O-N 2.79Å
88P95.1Very high96.4Very high66 Ų6667.4 Ų67.443%0.42930%0.304SS..  trans-50.3136.6175.5-29.534.6000114F90 I91 R92P88-F90 PolarHBondContact O-N 3.07Å; P88-I91 HydrophobicContact CB-CD1 4.41Å; P88-I91 HydrophobicContact CG-CD1 4.23Å; P88-I91 PolarHBondContact O-N 3.33Å; P88-R92 PolarHBondContact O-N 3.43Å
89K95.6Very high96.3Very high185 Ų18564.6 Ų64.680%0.80429%0.285SS*.Hα-helixtrans-50-37.1-179.4-65.3-176.8180-179.80113.2W87 R92 Y93W87-K89 PolarHBondContact O-N 2.79Å; K89-R92 PolarHBondContact O-N 3.1Å; K89-Y93 WeakPolarHBondContact O-CB 3.46Å; K89-Y93 PolarHBondContact O-N 2.82Å
90F95.6Very high96.3Very high64 Ų6466.7 Ų66.728%0.28130%0.296SS..Hα-helixtrans-56.2-48.9174.3174.7-96.5000112.6T22 Q28 P88 K94T22-F90 HydrophobicContact CG2-CZ 4.47Å; Q28-F90 HydrophobicContact CB-CD1 4.1Å; Q28-F90 HydrophobicContact CB-CE1 3.86Å; Q28-F90 HydrophobicContact CB-CZ 4.24Å; P88-F90 PolarHBondContact O-N 3.07Å; F90-K94 HydrophobicContact CD2-CG 4.32Å; F90-K94 HydrophobicContact CE1-CG 4.25Å; F90-K94 HydrophobicContact CE2-CG 4Å; F90-K94 HydrophobicContact CZ-CG 3.96Å; F90-K94 WeakPolarHBondContact O-CB 3.38Å; F90-K94 WeakPolarHBondContact O-CG 3.37Å; F90-K94 PolarHBondContact O-N 3.01Å
91I96.4Very high96.3Very high7 Ų773.2 Ų73.24%0.03632%0.321CS..Hα-helixtrans-65.1-47.6-179.7-71.7165.7000109.7L21 Y37 A38 P88 Y93 K94 C95L21-I91 HydrophobicContact CD1-CB 4.47Å; L21-I91 HydrophobicContact CD1-CG1 4.35Å; L21-I91 HydrophobicContact CD1-CG2 4.21Å; Y37-I91 HydrophobicContact CD2-CD1 3.83Å; Y37-I91 HydrophobicContact CD2-CG1 4.33Å; Y37-I91 HydrophobicContact CE2-CD1 4.3Å; Y37-I91 HydrophobicContact CE2-CG1 4.33Å; A38-I91 HydrophobicContact CB-CG2 3.72Å; P88-I91 HydrophobicContact CB-CD1 4.41Å; P88-I91 HydrophobicContact CG-CD1 4.23Å; P88-I91 PolarHBondContact O-N 3.33Å; I91-Y93 PolarHBondContact O-N 3.02Å; I91-K94 PolarHBondContact O-N 2.97Å; I91-C95 WeakPolarHBondContact O-CB 3.3Å; I91-C95 PolarHBondContact O-N 2.65Å; I91-C95 PolarHBondContact O-SG 2.83Å; I91-C95 VanDerWaalsContact O-SG 3.33Å
92R96.5Very high96.2Very high63 Ų6372.2 Ų72.224%0.23832%0.315CS..Hα-helixtrans-57.9-47.7179.1-161.1-176-51.7171.15.5112I80 D81 L84 I85 P88 K89 C95 K96I80-R92 HydrophobicContact CG2-CG 4.49Å; D81-R92 WeakPolarHBondContact OD1-CD 3.42Å; L84-R92 HydrophobicContact CB-CB 4.49Å; L84-R92 HydrophobicContact CB-CG 4.08Å; L84-R92 HydrophobicContact CD1-CG 4.44Å; L84-R92 VanDerWaalsContact O-CZ 3.25Å; L84-R92 PolarHBondContact O-NE 3.31Å; L84-R92 PolarHBondContact O-NH2 3.08Å; I85-R92 PolarHBondContact O-NH2 3.16Å; P88-R92 PolarHBondContact O-N 3.43Å; K89-R92 PolarHBondContact O-N 3.1Å; R92-C95 WeakPolarHBondContact O-CB 3.42Å; R92-C95 PolarHBondContact O-N 2.93Å; R92-K96 PolarHBondContact O-N 3.08Å; R92-K96 VanDerWaalsContact O-N 3.12Å
93Y96.5Very high96.2Very high136 Ų13669 Ų6953%0.53330%0.3SS..Hα-helixtrans-62.9-44.3176.7-178.7-102.6000112.6K89 I91 K96 Q97K89-Y93 WeakPolarHBondContact O-CB 3.46Å; K89-Y93 PolarHBondContact O-N 2.82Å; I91-Y93 PolarHBondContact O-N 3.02Å; Y93-K96 PolarHBondContact O-N 2.81Å; Y93-Q97 HydrophobicContact CD1-CG 4.3Å; Y93-Q97 HydrophobicContact CE1-CG 3.92Å; Y93-Q97 PolarHBondContact O-N 2.82Å; Y93-Q97 PolarHBondContact OH-NE2 2.88Å; Y93-Q97 VanDerWaalsContact OH-NE2 3.12Å
94K96.9Very high96.2Very high53 Ų5370 Ų7023%0.2331%0.307CS..Hα-helixtrans-70-30.1177.9-69.6-48.6-169.3-1700113.2L21 T22 F90 I91 R98L21-K94 HydrophobicContact CB-CB 4.23Å; L21-K94 HydrophobicContact CD1-CB 3.92Å; T22-K94 HydrophobicContact CG2-CD 4.07Å; T22-K94 HydrophobicContact CG2-CG 4.02Å; F90-K94 HydrophobicContact CD2-CG 4.32Å; F90-K94 HydrophobicContact CE1-CG 4.25Å; F90-K94 HydrophobicContact CE2-CG 4Å; F90-K94 HydrophobicContact CZ-CG 3.96Å; F90-K94 WeakPolarHBondContact O-CB 3.38Å; F90-K94 WeakPolarHBondContact O-CG 3.37Å; F90-K94 PolarHBondContact O-N 3.01Å; I91-K94 PolarHBondContact O-N 2.97Å; K94-R98 VanDerWaalsContact O-CB 3.28Å; K94-R98 WeakPolarHBondContact O-CB 3.44Å; K94-R98 PolarHBondContact O-N 2.78Å
95C97.1Very high96.2Very high0 Ų072.1 Ų72.10%032%0.321CS..Hα-helixtrans-59.7-51.1167.3-74.20000110.8V40 I80 L84 I91 R92 Q97 R98 V99V40-C95 HydrophobicContact CG2-CB 4.21Å; I80-C95 HydrophobicContact CG2-CB 4.01Å; L84-C95 HydrophobicContact CD1-CB 4.17Å; I91-C95 WeakPolarHBondContact O-CB 3.3Å; I91-C95 PolarHBondContact O-N 2.65Å; I91-C95 PolarHBondContact O-SG 2.83Å; I91-C95 VanDerWaalsContact O-SG 3.33Å; R92-C95 WeakPolarHBondContact O-CB 3.42Å; R92-C95 PolarHBondContact O-N 2.93Å; C95-Q97 PolarHBondContact O-N 3.27Å; C95-R98 WeakPolarHBondContact O-CB 3.36Å; C95-R98 PolarHBondContact O-N 3.43Å; C95-R98 VanDerWaalsContact O-N 3.1Å; C95-V99 WeakPolarHBondContact O-CG2 3.16Å; C95-V99 PolarHBondContact O-N 2.68Å
96K96.9Very high96.2Very high55 Ų5568.6 Ų68.624%0.23930%0.303CS..Hα-helixtrans-58-47.9176.7-67.3-173.4-179-164.10112.8V77 I80 D81 R92 Y93 R98 V99 I100V77-K96 HydrophobicContact CG1-CD 3.86Å; V77-K96 HydrophobicContact CG1-CG 4.28Å; I80-K96 HydrophobicContact CG2-CG 4.37Å; D81-K96 VanDerWaalsContact CG-CE 3.44Å; D81-K96 WeakPolarHBondContact OD1-CE 3.34Å; D81-K96 IonicContact OD1-NZ 3.83Å; D81-K96 PolarHBondContact OD1-NZ 2.81Å; D81-K96 VanDerWaalsContact OD2-CE 3.31Å; D81-K96 WeakPolarHBondContact OD2-CE 3.34Å; D81-K96 IonicContact OD2-NZ 2.65Å; D81-K96 PolarHBondContact OD2-NZ 3.49Å; R92-K96 PolarHBondContact O-N 3.08Å; R92-K96 VanDerWaalsContact O-N 3.12Å; Y93-K96 PolarHBondContact O-N 2.81Å; K96-R98 PolarHBondContact O-N 3.23Å; K96-V99 WeakPolarHBondContact O-CB 3.36Å; K96-V99 PolarHBondContact O-N 3.25Å; K96-I100 WeakPolarHBondContact O-CG1 3.4Å; K96-I100 PolarHBondContact O-N 3.34Å
97Q97.2Very high96.2Very high77 Ų7760.8 Ų60.836%0.3628%0.278SS..Hα-helixtrans-58-37175.5-71.6-163.5-45.600112.4Y93 C95 R101Y93-Q97 HydrophobicContact CD1-CG 4.3Å; Y93-Q97 HydrophobicContact CE1-CG 3.92Å; Y93-Q97 PolarHBondContact O-N 2.82Å; Y93-Q97 PolarHBondContact OH-NE2 2.88Å; Y93-Q97 VanDerWaalsContact OH-NE2 3.12Å; C95-Q97 PolarHBondContact O-N 3.27Å; Q97-R101 PolarHBondContact O-N 3.34Å; Q97-R101 VanDerWaalsContact O-N 3.1Å
98R96.3Very high96.3Very high59 Ų5966.6 Ų66.622%0.22330%0.3CS..Hα-helixtrans-72.8-35.4177.7-169.2172.8179.1112-15.2112.8N20 L21 V40 K94 C95 K96 R101 L102N20-R98 PolarHBondContact O-NH1 3.39Å; L21-R98 VanDerWaalsContact C-NH1 3.33Å; L21-R98 PolarHBondContact O-NH1 3.03Å; V40-R98 WeakPolarHBondContact O-CD 3.24Å; V40-R98 PolarHBondContact O-NE 3.41Å; K94-R98 VanDerWaalsContact O-CB 3.28Å; K94-R98 WeakPolarHBondContact O-CB 3.44Å; K94-R98 PolarHBondContact O-N 2.78Å; C95-R98 WeakPolarHBondContact O-CB 3.36Å; C95-R98 PolarHBondContact O-N 3.43Å; C95-R98 VanDerWaalsContact O-N 3.1Å; K96-R98 PolarHBondContact O-N 3.23Å; R98-R101 PolarHBondContact O-N 3.09Å; R98-L102 HydrophobicContact CG-CD1 4.06Å; R98-L102 HydrophobicContact CG-CG 4.4Å; R98-L102 WeakPolarHBondContact O-CB 3.48Å; R98-L102 VanDerWaalsContact O-CG 3.29Å; R98-L102 WeakPolarHBondContact O-CG 3.48Å; R98-L102 PolarHBondContact O-N 3.05Å
99V96.6Very high96.2Very high0 Ų067.9 Ų67.90%030%0.301CS..Hα-helixtrans-58.8-54.3170.5173.70000110.1V40 L47 L69 F73 I80 C95 K96 R101 L102 H103V40-V99 HydrophobicContact CB-CG2 4.39Å; V40-V99 HydrophobicContact CG1-CG2 4.06Å; V40-V99 HydrophobicContact CG2-CG2 3.94Å; L47-V99 HydrophobicContact CD1-CG1 4.39Å; L69-V99 HydrophobicContact CD1-CG2 4.42Å; F73-V99 HydrophobicContact CD2-CG1 3.91Å; F73-V99 HydrophobicContact CE2-CG1 3.94Å; I80-V99 HydrophobicContact CD1-CG2 3.4Å; C95-V99 WeakPolarHBondContact O-CG2 3.16Å; C95-V99 PolarHBondContact O-N 2.68Å; K96-V99 WeakPolarHBondContact O-CB 3.36Å; K96-V99 PolarHBondContact O-N 3.25Å; V99-R101 PolarHBondContact O-N 3.12Å; V99-L102 PolarHBondContact O-N 3.17Å; V99-H103 PolarHBondContact O-CD2 2.77Å; V99-H103 VanDerWaalsContact O-CD2 3.31Å; V99-H103 PolarHBondContact O-N 2.87Å
100I96.9Very high96.1Very high72 Ų7266.8 Ų66.837%0.36929%0.292SS..Hα-helixtrans-49.8-48.4176.4-63.5167.3000110.2F73 K96 L102 H103 Q104F73-I100 HydrophobicContact CE2-CB 4.42Å; F73-I100 HydrophobicContact CE2-CD1 4.49Å; F73-I100 HydrophobicContact CE2-CG1 3.44Å; F73-I100 VanDerWaalsContact CE2-CG1 3.44Å; F73-I100 HydrophobicContact CZ-CD1 4.13Å; F73-I100 HydrophobicContact CZ-CG1 3.51Å; K96-I100 WeakPolarHBondContact O-CG1 3.4Å; K96-I100 PolarHBondContact O-N 3.34Å; I100-L102 PolarHBondContact O-N 2.72Å; I100-H103 PolarHBondContact O-N 2.98Å; I100-Q104 WeakPolarHBondContact O-CG 3.19Å; I100-Q104 PolarHBondContact O-N 2.87Å
101R96.8Very high96Very high138 Ų13866.6 Ų66.652%0.52129%0.291SS..Hα-helixtrans-67.2-36.8-178.9-170.351.7166.1-165.5-5.3113.6Q97 R98 V99 Q104 V105Q97-R101 PolarHBondContact O-N 3.34Å; Q97-R101 VanDerWaalsContact O-N 3.1Å; R98-R101 PolarHBondContact O-N 3.09Å; V99-R101 PolarHBondContact O-N 3.12Å; R101-Q104 PolarHBondContact O-N 3.37Å; R101-V105 WeakPolarHBondContact O-CB 3.35Å; R101-V105 VanDerWaalsContact O-CG2 3.26Å; R101-V105 WeakPolarHBondContact O-CG2 3.24Å; R101-V105 PolarHBondContact O-N 2.64Å
102L96.5Very high95.9Very high30 Ų3069.7 Ų69.716%0.15731%0.307CS..Hα-helixtrans-71.2-39177.4-71.5170.4000111.7V40 E42 L47 R98 V99 I100 V105 L106V40-L102 HydrophobicContact CB-CD1 4.36Å; V40-L102 HydrophobicContact CG1-CD1 3.88Å; E42-L102 HydrophobicContact CB-CD2 4.29Å; L47-L102 HydrophobicContact CD1-CB 4.19Å; L47-L102 HydrophobicContact CD2-CB 3.87Å; L47-L102 HydrophobicContact CD2-CD1 4.11Å; R98-L102 HydrophobicContact CG-CD1 4.06Å; R98-L102 HydrophobicContact CG-CG 4.4Å; R98-L102 WeakPolarHBondContact O-CB 3.48Å; R98-L102 VanDerWaalsContact O-CG 3.29Å; R98-L102 WeakPolarHBondContact O-CG 3.48Å; R98-L102 PolarHBondContact O-N 3.05Å; V99-L102 PolarHBondContact O-N 3.17Å; I100-L102 PolarHBondContact O-N 2.72Å; L102-V105 PolarHBondContact O-N 2.96Å; L102-L106 WeakPolarHBondContact O-CB 3.05Å; L102-L106 WeakPolarHBondContact O-CG 2.92Å; L102-L106 PolarHBondContact O-N 3.44Å
103H96.1Very high95.6Very high51 Ų5172.8 Ų72.824%0.23633%0.333CS..Hα-helixtrans-60.3-45.9170.6-80.9-93.1000111.7L47 R71 V99 I100 V105 L106 A107L47-H103 WeakPolarHBondContact CD1-NE2 3.26Å; R71-H103 PolarHBondContact O-CE1 3.18Å; V99-H103 PolarHBondContact O-CD2 2.77Å; V99-H103 VanDerWaalsContact O-CD2 3.31Å; V99-H103 PolarHBondContact O-N 2.87Å; I100-H103 PolarHBondContact O-N 2.98Å; H103-V105 VanDerWaalsContact C-N 3.31Å; H103-V105 PolarHBondContact O-N 2.82Å; H103-L106 PolarHBondContact O-N 3Å; H103-A107 WeakPolarHBondContact O-CB 3.48Å; H103-A107 PolarHBondContact O-N 2.81Å
104Q96.6Very high95.4Very high96 Ų9673.4 Ų73.445%0.44934%0.344SS..Hα-helixtrans-58.6-40.5174.1-73.9175.4-4.300112.7I100 R101 R108I100-Q104 WeakPolarHBondContact O-CG 3.19Å; I100-Q104 PolarHBondContact O-N 2.87Å; R101-Q104 PolarHBondContact O-N 3.37Å; Q104-R108 VanDerWaalsContact O-CB 3.24Å; Q104-R108 WeakPolarHBondContact O-CB 3.48Å; Q104-R108 PolarHBondContact O-N 3.09Å
105V96Very high95Very high46 Ų4676.2 Ų76.228%0.27936%0.358SS..Hα-helixtrans-68.5-42.6178.2166.20000111R101 L102 H103 R108 M109R101-V105 WeakPolarHBondContact O-CB 3.35Å; R101-V105 VanDerWaalsContact O-CG2 3.26Å; R101-V105 WeakPolarHBondContact O-CG2 3.24Å; R101-V105 PolarHBondContact O-N 2.64Å; L102-V105 PolarHBondContact O-N 2.96Å; H103-V105 VanDerWaalsContact C-N 3.31Å; H103-V105 PolarHBondContact O-N 2.82Å; V105-R108 PolarHBondContact O-N 3.24Å; V105-M109 HydrophobicContact CG1-CE 3.7Å; V105-M109 HydrophobicContact CG1-CG 4.47Å; V105-M109 HydrophobicContact CG1-SD 4.08Å; V105-M109 WeakPolarHBondContact O-CB 3.44Å; V105-M109 VanDerWaalsContact O-CG 3.29Å; V105-M109 WeakPolarHBondContact O-CG 3.37Å; V105-M109 PolarHBondContact O-N 3.35Å
106L95.3Very high94.4Very high20 Ų2081.7 Ų81.711%0.10540%0.396CS..Hα-helixtrans-65.2-44.2176.8-73.5172.2000112.6E42 L47 L102 H103 R108 M109 R110E42-L106 HydrophobicContact CG-CD1 4.25Å; E42-L106 HydrophobicContact CG-CD2 4.01Å; E42-L106 HydrophobicContact CG-CG 4.43Å; L47-L106 HydrophobicContact CD2-CD1 3.99Å; L47-L106 HydrophobicContact CG-CD1 4.5Å; L102-L106 WeakPolarHBondContact O-CB 3.05Å; L102-L106 WeakPolarHBondContact O-CG 2.92Å; L102-L106 PolarHBondContact O-N 3.44Å; H103-L106 PolarHBondContact O-N 3Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.44Å; L106-M109 HydrophobicContact CD2-SD 4.33Å; L106-M109 PolarHBondContact O-N 3.49Å; L106-R110 WeakPolarHBondContact O-CG 3.26Å; L106-R110 PolarHBondContact O-N 3.28Å
107A94.9Very high93.7Very high28 Ų2887.1 Ų87.123%0.23142%0.415CS..Hα-helixtrans-60-45.3173.700000111H103 M109 R110 K111H103-A107 WeakPolarHBondContact O-CB 3.48Å; H103-A107 PolarHBondContact O-N 2.81Å; A107-M109 PolarHBondContact O-N 3.28Å; A107-R110 PolarHBondContact O-N 3.04Å; A107-K111 WeakPolarHBondContact O-CG 3.28Å; A107-K111 PolarHBondContact O-N 3.24Å
108R96.1Very high93.3Very high153 Ų15393.3 Ų93.358%0.57744%0.441SS*.Hα-helixtrans-61.1-40.8174.4-174.5178.5-64-161-5.5112.5Q104 V105 L106 R110 K111 L112Q104-R108 VanDerWaalsContact O-CB 3.24Å; Q104-R108 WeakPolarHBondContact O-CB 3.48Å; Q104-R108 PolarHBondContact O-N 3.09Å; V105-R108 PolarHBondContact O-N 3.24Å; L106-R108 VanDerWaalsContact C-N 3.34Å; L106-R108 PolarHBondContact O-N 3.44Å; R108-R110 VanDerWaalsContact C-N 3.34Å; R108-R110 PolarHBondContact O-N 3.35Å; R108-K111 PolarHBondContact O-N 3.48Å; R108-L112 HydrophobicContact CG-CD1 3.94Å; R108-L112 HydrophobicContact CG-CG 4.24Å; R108-L112 WeakPolarHBondContact O-CB 3.21Å; R108-L112 WeakPolarHBondContact O-CG 3.34Å; R108-L112 PolarHBondContact O-N 2.86Å
109M93.7Very high92.9Very high92 Ų9296 Ų9645%0.45346%0.464SS..Hα-helixtrans-60.6-42.3176.1-77.1171.2172.100111.6V105 L106 A107 L112 V113V105-M109 HydrophobicContact CG1-CE 3.7Å; V105-M109 HydrophobicContact CG1-CG 4.47Å; V105-M109 HydrophobicContact CG1-SD 4.08Å; V105-M109 WeakPolarHBondContact O-CB 3.44Å; V105-M109 VanDerWaalsContact O-CG 3.29Å; V105-M109 WeakPolarHBondContact O-CG 3.37Å; V105-M109 PolarHBondContact O-N 3.35Å; L106-M109 HydrophobicContact CD2-SD 4.33Å; L106-M109 PolarHBondContact O-N 3.49Å; A107-M109 PolarHBondContact O-N 3.28Å; M109-L112 PolarHBondContact O-N 3.06Å; M109-V113 WeakPolarHBondContact O-CG2 3.32Å; M109-V113 PolarHBondContact O-N 2.99Å
110R93.6Very high92.6Very high163 Ų163103.8 Ų103.862%0.61550%0.504SS*.Hα-helixtrans-60.7-50.7174.3-65.3169.8-172.7173.4-0111.4L106 A107 R108 L112 V113 L114L106-R110 WeakPolarHBondContact O-CG 3.26Å; L106-R110 PolarHBondContact O-N 3.28Å; A107-R110 PolarHBondContact O-N 3.04Å; R108-R110 VanDerWaalsContact C-N 3.34Å; R108-R110 PolarHBondContact O-N 3.35Å; R110-L112 PolarHBondContact O-N 3.09Å; R110-V113 PolarHBondContact O-N 3.1Å; R110-V113 VanDerWaalsContact O-N 3.09Å; R110-L114 WeakPolarHBondContact O-CG 3.46Å; R110-L114 PolarHBondContact O-N 3.39Å; R110-L114 VanDerWaalsContact O-N 3.09Å
111K94.3Very high92.3Very high60 Ų60106.4 Ų106.426%0.26152%0.517SS..Hα-helixtrans-58.5-35.3176.2-64.8-177-169.4-166.30112.5A107 R108 H115 E245 S246 D247A107-K111 WeakPolarHBondContact O-CG 3.28Å; A107-K111 PolarHBondContact O-N 3.24Å; R108-K111 PolarHBondContact O-N 3.48Å; K111-H115 VanDerWaalsContact O-CB 3.24Å; K111-H115 WeakPolarHBondContact O-CB 3.26Å; K111-H115 PolarHBondContact O-N 3.5Å; K111-E245 IonicContact NZ-OE2 3.33Å; K111-E245 PolarHBondContact NZ-OE2 2.98Å; K111-S246 PolarHBondContact NZ-O 2.74Å; K111-D247 WeakPolarHBondContact CE-OD1 3.35Å; K111-D247 WeakPolarHBondContact CE-OD2 3.18Å; K111-D247 VanDerWaalsContact NZ-CG 3.34Å; K111-D247 IonicContact NZ-OD1 2.74Å; K111-D247 PolarHBondContact NZ-OD1 3.2Å; K111-D247 IonicContact NZ-OD2 2.71Å
112L92.4Very high92.1Very high72 Ų72105.2 Ų105.238%0.37753%0.528SS..Hα-helixtrans-74.6-25.6176.5-74174.5000114.5R108 M109 R110 R117R108-L112 HydrophobicContact CG-CD1 3.94Å; R108-L112 HydrophobicContact CG-CG 4.24Å; R108-L112 WeakPolarHBondContact O-CB 3.21Å; R108-L112 WeakPolarHBondContact O-CG 3.34Å; R108-L112 PolarHBondContact O-N 2.86Å; M109-L112 PolarHBondContact O-N 3.06Å; R110-L112 PolarHBondContact O-N 3.09Å; L112-R117 VanDerWaalsContact CD2-CZ 3.4Å
113V91.7Very high91.9Very high128 Ų128109.8 Ų109.878%0.77655%0.551SS**Hα-helixtrans-79-35.2174.31680000111.1M109 R110M109-V113 WeakPolarHBondContact O-CG2 3.32Å; M109-V113 PolarHBondContact O-N 2.99Å; R110-V113 PolarHBondContact O-N 3.1Å; R110-V113 VanDerWaalsContact O-N 3.09Å
114L91.8Very high91.9Very high148 Ų148109.9 Ų109.978%0.77556%0.557SS**Hα-helixtrans-74.8-24.7176.7-66.3170.5000113.4R110R110-L114 WeakPolarHBondContact O-CG 3.46Å; R110-L114 PolarHBondContact O-N 3.39Å; R110-L114 VanDerWaalsContact O-N 3.09Å
115H89Confident91.8Very high113 Ų113112 Ų11252%0.52357%0.565SS.*SBendtrans-92.8113.8-175.317574000112.1K111 R117K111-H115 VanDerWaalsContact O-CB 3.24Å; K111-H115 WeakPolarHBondContact O-CB 3.26Å; K111-H115 PolarHBondContact O-N 3.5Å; H115-R117 PolarHBondContact O-N 2.99Å; H115-R117 VanDerWaalsContact O-N 3.17Å
116S83Confident91.8Very high114 Ų114118.4 Ų118.480%0.79759%0.589SS**  trans-65.5109.617845.10000111.9
117R83.1Confident91.8Very high170 Ų170121.5 Ų121.564%0.64261%0.605SS**PPolyproline II helixtrans-99.6135.6177-71-178.2158.4-156.5-10.7111.1L112 H115 T119L112-R117 VanDerWaalsContact CD2-CZ 3.4Å; H115-R117 PolarHBondContact O-N 2.99Å; H115-R117 VanDerWaalsContact O-N 3.17Å; R117-T119 PolarHBondContact O-N 3.47Å
118K88.2Confident91.9Very high206 Ų206124.5 Ų124.590%0.89661%0.614SS**PPolyproline II helixtrans-55.7130.7165.1-63.7-175.2179.9-176.80108.7
119T87.9Confident91.9Very high115 Ų115125.5 Ų125.571%0.70662%0.618SS**PPolyproline II helixtrans-73.6131.8177.839.60000110.1R117 I121R117-T119 PolarHBondContact O-N 3.47Å; T119-I121 PolarHBondContact O-N 3.34Å; T119-I121 VanDerWaalsContact O-N 3.12Å
120I91Very high92Very high165 Ų165128.3 Ų128.385%0.84662%0.624SS**  trans-78.597.7172-59.2172.5000107.1P122I120-P122 WeakPolarHBondContact O-CD 3.47Å
121I91.2Very high92.1Very high126 Ų126123.8 Ų123.865%0.64661%0.609SS**  trans-84.9118.6177.1-60172.7000108.1T119 I123T119-I121 PolarHBondContact O-N 3.34Å; T119-I121 VanDerWaalsContact O-N 3.12Å; I121-I123 PolarHBondContact O-N 3.1Å; I121-I123 VanDerWaalsContact O-N 3.09Å
122P92.9Very high92.2Very high113 Ų113128.2 Ų128.273%0.73462%0.624SS**  trans-76.597.9178.230.6-33.2000110.5I120I120-P122 WeakPolarHBondContact O-CD 3.47Å
123I92.1Very high92.4Very high126 Ų126132.5 Ų132.565%0.64664%0.636SS**  trans-66.1133.7170.2-58.6175.8000108.5I121 E128I121-I123 PolarHBondContact O-N 3.1Å; I121-I123 VanDerWaalsContact O-N 3.09Å; I123-E128 HydrophobicContact CG2-CB 4.44Å
124S94.9Very high92.7Very high53 Ų53132.6 Ų132.637%0.37162%0.622SS.*  trans-88138.9176.185.10000110.8K126 I127 E128S124-K126 PolarHBondContact O-N 2.97Å; S124-I127 PolarHBondContact O-N 3.2Å; S124-I127 WeakPolarHBondContact OG-CG1 3.36Å; S124-I127 PolarHBondContact OG-N 3.49Å; S124-E128 PolarHBondContact O-N 3.02Å
125K95.4Very high92.8Very high142 Ų142130.9 Ų130.962%0.61761%0.61SS**Hα-helixtrans-58.7-16.9177.4-56.8-161.2177.1-165.30113.6R129K125-R129 WeakPolarHBondContact O-CB 3.29Å; K125-R129 WeakPolarHBondContact O-CD 3.49Å; K125-R129 WeakPolarHBondContact O-CG 3.5Å; K125-R129 PolarHBondContact O-N 3.45Å
126K95.8Very high93.1Very high180 Ų180129.3 Ų129.378%0.78361%0.605SS**Hα-helixtrans-77-33.7171.7-72.9-166.7176.4-169.70113.2S124 R130S124-K126 PolarHBondContact O-N 2.97Å; K126-R130 WeakPolarHBondContact O-CB 3.34Å; K126-R130 PolarHBondContact O-N 3.29Å
127I95.3Very high93.8Very high85 Ų85131.5 Ų131.544%0.43660%0.601SS.*Hα-helixtrans-74.3-50.2173.6-69.3163000108.6S124 R129 R130 E131S124-I127 PolarHBondContact O-N 3.2Å; S124-I127 WeakPolarHBondContact OG-CG1 3.36Å; S124-I127 PolarHBondContact OG-N 3.49Å; I127-R129 VanDerWaalsContact C-N 3.33Å; I127-R129 PolarHBondContact O-N 2.9Å; I127-R130 CarbonylContact O-C 3.52Å; I127-R130 WeakPolarHBondContact O-CA 3.44Å; I127-R130 WeakPolarHBondContact O-CB 3.47Å; I127-R130 PolarHBondContact O-N 2.88Å; I127-E131 HydrophobicContact CG2-CG 3.82Å; I127-E131 WeakPolarHBondContact O-CG 3.4Å; I127-E131 PolarHBondContact O-N 3.25Å
128E95.7Very high94.4Very high90 Ų90126 Ų12642%0.42159%0.591SS.*Hα-helixtrans-48.2-49.9175.3-172.2-168.5167.700113I123 S124 R130 E131 R132I123-E128 HydrophobicContact CG2-CB 4.44Å; S124-E128 PolarHBondContact O-N 3.02Å; E128-R130 PolarHBondContact O-N 3.39Å; E128-E131 PolarHBondContact O-N 2.91Å; E128-R132 WeakPolarHBondContact O-CB 3.47Å; E128-R132 PolarHBondContact O-N 3.32Å
129R96.4Very high94.6Very high174 Ų174121.6 Ų121.666%0.65758%0.577SS**Hα-helixtrans-71.3-7.5174.8-68.9173-177.5-173.4-1.2115.1K125 I127 R133K125-R129 WeakPolarHBondContact O-CB 3.29Å; K125-R129 WeakPolarHBondContact O-CD 3.49Å; K125-R129 WeakPolarHBondContact O-CG 3.5Å; K125-R129 PolarHBondContact O-N 3.45Å; I127-R129 VanDerWaalsContact C-N 3.33Å; I127-R129 PolarHBondContact O-N 2.9Å; R129-R133 PolarHBondContact O-NE 3.47Å; R129-R133 PolarHBondContact O-NH2 3.23Å
130R96.7Very high94.9Very high152 Ų152121.8 Ų121.857%0.57458%0.578SS**Hα-helixtrans-97.5-43.1174.3175.5-176-73.9-180-7.1110.4K126 I127 E128 R134K126-R130 WeakPolarHBondContact O-CB 3.34Å; K126-R130 PolarHBondContact O-N 3.29Å; I127-R130 CarbonylContact O-C 3.52Å; I127-R130 WeakPolarHBondContact O-CA 3.44Å; I127-R130 WeakPolarHBondContact O-CB 3.47Å; I127-R130 PolarHBondContact O-N 2.88Å; E128-R130 PolarHBondContact O-N 3.39Å; R130-R134 WeakPolarHBondContact O-CB 3.48Å; R130-R134 PolarHBondContact O-N 3.36Å
131E95.8Very high95Very high68 Ų68117.6 Ų117.632%0.31857%0.568SS.*Hα-helixtrans-63.5-50.6175.6-54.5-45.9104.900109.6I127 E128 R133 R134 E135I127-E131 HydrophobicContact CG2-CG 3.82Å; I127-E131 WeakPolarHBondContact O-CG 3.4Å; I127-E131 PolarHBondContact O-N 3.25Å; E128-E131 PolarHBondContact O-N 2.91Å; E131-R133 PolarHBondContact O-N 3.13Å; E131-R134 CarbonylContact O-C 3.51Å; E131-R134 WeakPolarHBondContact O-CA 3.44Å; E131-R134 WeakPolarHBondContact O-CB 3.28Å; E131-R134 PolarHBondContact O-N 3.41Å; E131-R134 IonicContact OE1-CZ 3.95Å; E131-R134 IonicContact OE1-NH1 2.67Å; E131-R134 PolarHBondContact OE1-NH1 3.29Å; E131-R134 IonicContact OE1-NH2 2.97Å; E131-R134 PolarHBondContact OE1-NH2 3.08Å; E131-R134 IonicContact OE2-CZ 2.98Å; E131-R134 IonicContact OE2-NH1 3.05Å; E131-R134 PolarHBondContact OE2-NH1 3.2Å; E131-E135 WeakPolarHBondContact O-CG 3.31Å; E131-E135 PolarHBondContact O-N 3.32Å
132R96.4Very high95.1Very high152 Ų152113.8 Ų113.857%0.57456%0.555SS**Hα-helixtrans-52.7-51.4174.8-169.9-176.5-64.7-166.8-0.7112.7E128 R134 E135 D136E128-R132 WeakPolarHBondContact O-CB 3.47Å; E128-R132 PolarHBondContact O-N 3.32Å; R132-R134 PolarHBondContact O-N 2.9Å; R132-R134 VanDerWaalsContact O-N 3.16Å; R132-E135 WeakPolarHBondContact CA-OE2 3.03Å; R132-E135 CarbonylContact O-C 3.58Å; R132-E135 WeakPolarHBondContact O-CA 3.44Å; R132-E135 WeakPolarHBondContact O-CB 3.49Å; R132-E135 PolarHBondContact O-N 2.68Å; R132-E135 VanDerWaalsContact O-N 3.08Å; R132-D136 WeakPolarHBondContact O-CB 3.48Å; R132-D136 PolarHBondContact O-N 2.78Å; R132-D136 VanDerWaalsContact O-OD2 3.05Å
133R96.3Very high95.1Very high163 Ų163113.2 Ų113.262%0.61554%0.541SS*.Hα-helixtrans-67.7-14.1177.6-74.9-174-62.6151.34.4114.6R129 E131 D136 K137R129-R133 PolarHBondContact O-NE 3.47Å; R129-R133 PolarHBondContact O-NH2 3.23Å; E131-R133 PolarHBondContact O-N 3.13Å; R133-D136 WeakPolarHBondContact CA-OD2 3.47Å; R133-K137 WeakPolarHBondContact O-CB 3.47Å; R133-K137 VanDerWaalsContact O-CG 3.31Å; R133-K137 WeakPolarHBondContact O-CG 3.29Å
134R96.8Very high95.1Very high129 Ų129111 Ų11149%0.48753%0.53SS..Hα-helixtrans-86.8-38.8169.5-164.9-172.9-59.7106.1-3.1110.6R130 E131 R132 K137 A138R130-R134 WeakPolarHBondContact O-CB 3.48Å; R130-R134 PolarHBondContact O-N 3.36Å; E131-R134 CarbonylContact O-C 3.51Å; E131-R134 WeakPolarHBondContact O-CA 3.44Å; E131-R134 WeakPolarHBondContact O-CB 3.28Å; E131-R134 PolarHBondContact O-N 3.41Å; E131-R134 IonicContact OE1-CZ 3.95Å; E131-R134 IonicContact OE1-NH1 2.67Å; E131-R134 PolarHBondContact OE1-NH1 3.29Å; E131-R134 IonicContact OE1-NH2 2.97Å; E131-R134 PolarHBondContact OE1-NH2 3.08Å; E131-R134 IonicContact OE2-CZ 2.98Å; E131-R134 IonicContact OE2-NH1 3.05Å; E131-R134 PolarHBondContact OE2-NH1 3.2Å; R132-R134 PolarHBondContact O-N 2.9Å; R132-R134 VanDerWaalsContact O-N 3.16Å; R134-K137 PolarHBondContact O-N 2.95Å; R134-A138 WeakPolarHBondContact O-CB 3.43Å; R134-A138 PolarHBondContact O-N 3.48Å
135E95.1Very high95Very high113 Ų113115 Ų11553%0.52855%0.547SS..Hα-helixtrans-59.3-52.5171.3-66.3153.7-170.700110E131 R132 K137 A138 L139E131-E135 WeakPolarHBondContact O-CG 3.31Å; E131-E135 PolarHBondContact O-N 3.32Å; R132-E135 WeakPolarHBondContact CA-OE2 3.03Å; R132-E135 CarbonylContact O-C 3.58Å; R132-E135 WeakPolarHBondContact O-CA 3.44Å; R132-E135 WeakPolarHBondContact O-CB 3.49Å; R132-E135 PolarHBondContact O-N 2.68Å; R132-E135 VanDerWaalsContact O-N 3.08Å; E135-K137 VanDerWaalsContact C-N 3.33Å; E135-K137 PolarHBondContact O-N 3.14Å; E135-A138 PolarHBondContact O-N 3.03Å; E135-A138 VanDerWaalsContact O-N 3.1Å; E135-L139 WeakPolarHBondContact O-CG 3.4Å; E135-L139 PolarHBondContact O-N 3.06Å
136D96.1Very high94.8Very high79 Ų79114.1 Ų114.142%0.42254%0.543SS..Hα-helixtrans-52.1-49.2175.1-57.7-35.4000111.4R132 R133 V140R132-D136 WeakPolarHBondContact O-CB 3.48Å; R132-D136 PolarHBondContact O-N 2.78Å; R132-D136 VanDerWaalsContact O-OD2 3.05Å; R133-D136 WeakPolarHBondContact CA-OD2 3.47Å; D136-V140 WeakPolarHBondContact O-CG2 3.48Å; D136-V140 PolarHBondContact O-N 2.9Å
137K96.1Very high94.7Very high161 Ų161108.8 Ų108.870%0.753%0.528SS*.Hα-helixtrans-68.5-35.6178.6-78.4-170.9173.9-153.90113.1R133 R134 E135 A141R133-K137 WeakPolarHBondContact O-CB 3.47Å; R133-K137 VanDerWaalsContact O-CG 3.31Å; R133-K137 WeakPolarHBondContact O-CG 3.29Å; R134-K137 PolarHBondContact O-N 2.95Å; E135-K137 VanDerWaalsContact C-N 3.33Å; E135-K137 PolarHBondContact O-N 3.14Å; K137-A141 VanDerWaalsContact O-CB 3.28Å; K137-A141 WeakPolarHBondContact O-CB 3.37Å; K137-A141 PolarHBondContact O-N 3.18Å
138A95.5Very high94.5Very high54 Ų54109 Ų10945%0.44653%0.529SS..Hα-helixtrans-69.6-39177.600000111.5R134 E135 A141 A142R134-A138 WeakPolarHBondContact O-CB 3.43Å; R134-A138 PolarHBondContact O-N 3.48Å; E135-A138 PolarHBondContact O-N 3.03Å; E135-A138 VanDerWaalsContact O-N 3.1Å; A138-A141 PolarHBondContact O-N 3.12Å; A138-A142 WeakPolarHBondContact O-CB 3.47Å; A138-A142 PolarHBondContact O-N 2.97Å
139L93Very high94.1Very high113 Ų113110.4 Ų110.459%0.59254%0.536SS*.Hα-helixtrans-61.6-44.9174.4-70.7170.7000111.6E135 I144E135-L139 WeakPolarHBondContact O-CG 3.4Å; E135-L139 PolarHBondContact O-N 3.06Å; L139-I144 HydrophobicContact CD2-CD1 4.24Å
140V93.8Very high93.8Very high120 Ų120107.5 Ų107.573%0.72753%0.529SS*.Hα-helixtrans-64.6-44.8175.8173.60000111.6D136D136-V140 WeakPolarHBondContact O-CG2 3.48Å; D136-V140 PolarHBondContact O-N 2.9Å
141A94.4Very high93.3Very high77 Ų77104.2 Ų104.264%0.63652%0.52SS*.Hα-helixtrans-69.4-32-178.600000113.5K137 A138 K143K137-A141 VanDerWaalsContact O-CB 3.28Å; K137-A141 WeakPolarHBondContact O-CB 3.37Å; K137-A141 PolarHBondContact O-N 3.18Å; A138-A141 PolarHBondContact O-N 3.12Å; A141-K143 VanDerWaalsContact C-N 3.3Å; A141-K143 PolarHBondContact O-N 3.46Å
142A92.5Very high92.8Very high46 Ų46105.6 Ų105.638%0.3853%0.53SS..THydrogen-bonded Turntrans-75.8-11.5-174.500000114.6A138 I144A138-A142 WeakPolarHBondContact O-CB 3.47Å; A138-A142 PolarHBondContact O-N 2.97Å; A142-I144 HydrophobicContact CB-CD1 4.34Å; A142-I144 HydrophobicContact CB-CG1 3.71Å; A142-I144 WeakPolarHBondContact O-CA 3.47Å; A142-I144 PolarHBondContact O-N 3.17Å
143K92.5Very high92.2Very high100 Ų10099.9 Ų99.944%0.43551%0.51SS..  trans39.742.2177.4-59.1-180-173.6175.60113.4A141 D145 K146 C147 E195A141-K143 VanDerWaalsContact C-N 3.3Å; A141-K143 PolarHBondContact O-N 3.46Å; K143-D145 VanDerWaalsContact C-N 3.28Å; K143-D145 PolarHBondContact O-N 2.87Å; K143-K146 HydrophobicContact CB-CB 4.48Å; K143-K146 WeakPolarHBondContact O-CB 3.37Å; K143-K146 PolarHBondContact O-N 2.99Å; K143-C147 PolarHBondContact O-N 2.62Å; K143-E195 IonicContact NZ-OE1 2.75Å; K143-E195 PolarHBondContact NZ-OE1 3.07Å
144I92.9Very high91.6Very high81 Ų8196.7 Ų96.742%0.41550%0.502SS..Hα-helixtrans-52.4-41.9-155.1-62.1176.1000113.2L139 A142 K146 C147 I148L139-I144 HydrophobicContact CD2-CD1 4.24Å; A142-I144 HydrophobicContact CB-CD1 4.34Å; A142-I144 HydrophobicContact CB-CG1 3.71Å; A142-I144 WeakPolarHBondContact O-CA 3.47Å; A142-I144 PolarHBondContact O-N 3.17Å; I144-K146 VanDerWaalsContact C-N 3.34Å; I144-K146 PolarHBondContact O-N 3.28Å; I144-C147 PolarHBondContact O-N 3.27Å; I144-I148 HydrophobicContact CG2-CD1 3.75Å; I144-I148 HydrophobicContact CG2-CG1 4.32Å; I144-I148 WeakPolarHBondContact O-CG1 3.29Å; I144-I148 PolarHBondContact O-N 2.9Å
145D92.1Very high90.9Very high135 Ų13596 Ų9672%0.72250%0.5SS*.Hα-helixtrans-61-39.8-179.5-51.5-63000112.7K143 I148 E149K143-D145 VanDerWaalsContact C-N 3.28Å; K143-D145 PolarHBondContact O-N 2.87Å; D145-I148 PolarHBondContact O-N 3.1Å; D145-E149 WeakPolarHBondContact O-CB 3.48Å; D145-E149 PolarHBondContact O-N 2.98Å
146K91.8Very high89.9Confident124 Ų12493.7 Ų93.754%0.53949%0.49SS..Hα-helixtrans-66.9-40.4175.4-72.9-163.7170.4-159.40111.9K143 I144 I148 E149 Q150K143-K146 HydrophobicContact CB-CB 4.48Å; K143-K146 WeakPolarHBondContact O-CB 3.37Å; K143-K146 PolarHBondContact O-N 2.99Å; I144-K146 VanDerWaalsContact C-N 3.34Å; I144-K146 PolarHBondContact O-N 3.28Å; K146-I148 VanDerWaalsContact C-N 3.3Å; K146-I148 PolarHBondContact O-N 3.04Å; K146-E149 PolarHBondContact O-N 3.31Å; K146-Q150 WeakPolarHBondContact O-CB 3.33Å; K146-Q150 WeakPolarHBondContact O-CG 3.37Å; K146-Q150 PolarHBondContact O-N 3.5Å
147C92.8Very high88.8Confident68 Ų6893.9 Ų93.946%0.45950%0.498SS..Hα-helixtrans-66.6-34.5177.2-62.60000111.5K143 I144 E151K143-C147 PolarHBondContact O-N 2.62Å; I144-C147 PolarHBondContact O-N 3.27Å; C147-E151 VanDerWaalsContact O-CB 3.32Å; C147-E151 WeakPolarHBondContact O-CB 3.5Å; C147-E151 PolarHBondContact O-N 2.81Å
148I91.5Very high87.7Confident89 Ų8992 Ų9246%0.45649%0.49SS..Hα-helixtrans-69-43.7172.1-68.4170.4000110.9I144 D145 K146 Q150 E151 L152I144-I148 HydrophobicContact CG2-CD1 3.75Å; I144-I148 HydrophobicContact CG2-CG1 4.32Å; I144-I148 WeakPolarHBondContact O-CG1 3.29Å; I144-I148 PolarHBondContact O-N 2.9Å; D145-I148 PolarHBondContact O-N 3.1Å; K146-I148 VanDerWaalsContact C-N 3.3Å; K146-I148 PolarHBondContact O-N 3.04Å; I148-Q150 PolarHBondContact O-N 3.24Å; I148-E151 PolarHBondContact O-N 3.33Å; I148-L152 HydrophobicContact CG2-CD1 3.82Å; I148-L152 HydrophobicContact CG2-CG 4.26Å; I148-L152 WeakPolarHBondContact O-CB 3.46Å; I148-L152 VanDerWaalsContact O-CG 3.26Å; I148-L152 WeakPolarHBondContact O-CG 3.42Å; I148-L152 PolarHBondContact O-N 3.13Å
149E88.5Confident86.2Confident121 Ų12192 Ų9257%0.56550%0.495SS*.Hα-helixtrans-56.7-50.3175.4-177.6173.3-155.800111.1D145 K146 E151 L152 L153D145-E149 WeakPolarHBondContact O-CB 3.48Å; D145-E149 PolarHBondContact O-N 2.98Å; K146-E149 PolarHBondContact O-N 3.31Å; E149-E151 PolarHBondContact O-N 2.98Å; E149-L152 PolarHBondContact O-N 2.93Å; E149-L153 HydrophobicContact CG-CD1 3.98Å; E149-L153 WeakPolarHBondContact O-CB 3.44Å; E149-L153 VanDerWaalsContact O-CG 3.24Å; E149-L153 WeakPolarHBondContact O-CG 3.46Å; E149-L153 PolarHBondContact O-N 2.97Å
150Q88.5Confident84.5Confident112 Ų11290.6 Ų90.652%0.52349%0.491SS..Hα-helixtrans-60.7-42.2175.4-72.5173-2400112.8K146 I148 L153 E154K146-Q150 WeakPolarHBondContact O-CB 3.33Å; K146-Q150 WeakPolarHBondContact O-CG 3.37Å; K146-Q150 PolarHBondContact O-N 3.5Å; I148-Q150 PolarHBondContact O-N 3.24Å; Q150-L153 PolarHBondContact O-N 3.4Å; Q150-E154 VanDerWaalsContact O-CB 3.3Å; Q150-E154 WeakPolarHBondContact O-CB 3.4Å; Q150-E154 PolarHBondContact O-N 3.45Å
151E87.8Confident82.5Confident83 Ų8387.6 Ų87.639%0.38847%0.473SS..Hα-helixtrans-70.6-32.5-179.8-153.5-101.5162.300112.4C147 I148 E149 R155C147-E151 VanDerWaalsContact O-CB 3.32Å; C147-E151 WeakPolarHBondContact O-CB 3.5Å; C147-E151 PolarHBondContact O-N 2.81Å; I148-E151 PolarHBondContact O-N 3.33Å; E149-E151 PolarHBondContact O-N 2.98Å; E151-R155 VanDerWaalsContact CD-CZ 3.42Å; E151-R155 WeakPolarHBondContact O-CB 3.35Å; E151-R155 WeakPolarHBondContact O-CG 3.21Å; E151-R155 PolarHBondContact O-N 3.32Å; E151-R155 VanDerWaalsContact O-N 3.07Å; E151-R155 IonicContact OE1-CZ 3Å; E151-R155 IonicContact OE1-NE 3.14Å; E151-R155 PolarHBondContact OE1-NE 2.79Å; E151-R155 IonicContact OE1-NH2 2.85Å; E151-R155 PolarHBondContact OE1-NH2 3.11Å; E151-R155 IonicContact OE2-CZ 2.68Å; E151-R155 IonicContact OE2-NE 3.74Å; E151-R155 PolarHBondContact OE2-NE 2.96Å; E151-R155 VanDerWaalsContact OE2-NE 3.14Å; E151-R155 IonicContact OE2-NH1 2.7Å; E151-R155 IonicContact OE2-NH2 3.08Å; E151-R155 PolarHBondContact OE2-NH2 3.12Å
152L84.8Confident80.6Confident98 Ų9896 Ų9651%0.51349%0.489SS..Hα-helixtrans-70.8-43.3172-70.5173.6000112I148 E149 R155 L156I148-L152 HydrophobicContact CG2-CD1 3.82Å; I148-L152 HydrophobicContact CG2-CG 4.26Å; I148-L152 WeakPolarHBondContact O-CB 3.46Å; I148-L152 VanDerWaalsContact O-CG 3.26Å; I148-L152 WeakPolarHBondContact O-CG 3.42Å; I148-L152 PolarHBondContact O-N 3.13Å; E149-L152 PolarHBondContact O-N 2.93Å; L152-R155 PolarHBondContact O-N 3.3Å; L152-L156 VanDerWaalsContact O-CB 3.24Å; L152-L156 WeakPolarHBondContact O-CB 3.29Å; L152-L156 PolarHBondContact O-N 3.16Å
153L84.1Confident78.6Confident31 Ų31102.1 Ų102.116%0.16251%0.507CS..Hα-helixtrans-62.1-43.2174.4-74.3169.4000111.6E149 Q150 L156 S157 V180 E184E149-L153 HydrophobicContact CG-CD1 3.98Å; E149-L153 WeakPolarHBondContact O-CB 3.44Å; E149-L153 VanDerWaalsContact O-CG 3.24Å; E149-L153 WeakPolarHBondContact O-CG 3.46Å; E149-L153 PolarHBondContact O-N 2.97Å; Q150-L153 PolarHBondContact O-N 3.4Å; L153-L156 WeakPolarHBondContact O-CB 3.2Å; L153-L156 PolarHBondContact O-N 3.44Å; L153-S157 VanDerWaalsContact O-CB 3.27Å; L153-S157 WeakPolarHBondContact O-CB 2.96Å; L153-S157 PolarHBondContact O-N 3.41Å; L153-V180 HydrophobicContact CD2-CG1 3.51Å; L153-E184 WeakPolarHBondContact CB-OE2 3.31Å
154E83.7Confident76.2Confident96 Ų96100.8 Ų100.845%0.44950%0.504SS..Hα-helixtrans-66-41.2178.7-156.3-150.9-158.100111.7Q150 L156 K158Q150-E154 VanDerWaalsContact O-CB 3.3Å; Q150-E154 WeakPolarHBondContact O-CB 3.4Å; Q150-E154 PolarHBondContact O-N 3.45Å; E154-L156 VanDerWaalsContact C-N 3.35Å; E154-K158 HydrophobicContact CG-CD 4.19Å; E154-K158 VanDerWaalsContact O-CB 3.26Å; E154-K158 WeakPolarHBondContact O-CB 3.33Å; E154-K158 WeakPolarHBondContact O-CG 3.24Å; E154-K158 PolarHBondContact O-N 3.36Å; E154-K158 VanDerWaalsContact OE1-CE 3.25Å; E154-K158 WeakPolarHBondContact OE1-CE 3.36Å; E154-K158 IonicContact OE1-NZ 2.62Å; E154-K158 PolarHBondContact OE1-NZ 2.96Å; E154-K158 WeakPolarHBondContact OE2-CE 3.46Å; E154-K158 IonicContact OE2-NZ 2.68Å; E154-K158 PolarHBondContact OE2-NZ 3.23Å
155R80.9Confident74.1Confident116 Ų116106.1 Ų106.144%0.43852%0.524SS..Hα-helixtrans-62.4-39.3171.9-75.9172.8-178.9-174.410.7112.7E151 L152 G159 T160E151-R155 VanDerWaalsContact CD-CZ 3.42Å; E151-R155 WeakPolarHBondContact O-CB 3.35Å; E151-R155 WeakPolarHBondContact O-CG 3.21Å; E151-R155 PolarHBondContact O-N 3.32Å; E151-R155 VanDerWaalsContact O-N 3.07Å; E151-R155 IonicContact OE1-CZ 3Å; E151-R155 IonicContact OE1-NE 3.14Å; E151-R155 PolarHBondContact OE1-NE 2.79Å; E151-R155 IonicContact OE1-NH2 2.85Å; E151-R155 PolarHBondContact OE1-NH2 3.11Å; E151-R155 IonicContact OE2-CZ 2.68Å; E151-R155 IonicContact OE2-NE 3.74Å; E151-R155 PolarHBondContact OE2-NE 2.96Å; E151-R155 VanDerWaalsContact OE2-NE 3.14Å; E151-R155 IonicContact OE2-NH1 2.7Å; E151-R155 IonicContact OE2-NH2 3.08Å; E151-R155 PolarHBondContact OE2-NH2 3.12Å; L152-R155 PolarHBondContact O-N 3.3Å; R155-G159 PolarHBondContact O-N 2.91Å; R155-T160 PolarHBondContact O-N 2.9Å; R155-T160 PolarHBondContact O-OG1 2.78Å
156L74.7Confident71.9Confident63 Ų63109.3 Ų109.333%0.3353%0.528SS..Hα-helixtrans-67.7-46.8179.1-175.163.2000110.8L152 L153 E154 G159 I169 F177L152-L156 VanDerWaalsContact O-CB 3.24Å; L152-L156 WeakPolarHBondContact O-CB 3.29Å; L152-L156 PolarHBondContact O-N 3.16Å; L153-L156 WeakPolarHBondContact O-CB 3.2Å; L153-L156 PolarHBondContact O-N 3.44Å; E154-L156 VanDerWaalsContact C-N 3.35Å; L156-G159 PolarHBondContact O-N 3.42Å; L156-G159 VanDerWaalsContact O-N 3.08Å; L156-I169 HydrophobicContact CD1-CD1 3.92Å; L156-F177 HydrophobicContact CD1-CE2 4.19Å; L156-F177 HydrophobicContact CD2-CD2 4.36Å; L156-F177 HydrophobicContact CD2-CE2 3.89Å; L156-F177 HydrophobicContact CG-CE2 4.02Å
157S72.6Confident69.8Low83 Ų83106.2 Ų106.258%0.5853%0.531SS*.Hα-helixtrans-63.6-42.5176.7-179.80000112.6L153 G159L153-S157 VanDerWaalsContact O-CB 3.27Å; L153-S157 WeakPolarHBondContact O-CB 2.96Å; L153-S157 PolarHBondContact O-N 3.41Å; S157-G159 PolarHBondContact O-N 2.81Å
158K72.5Confident68Low123 Ų123110 Ų11054%0.53555%0.547SS..THydrogen-bonded Turntrans-68.1-8.9172.7-72.5171.4178.3173.30113.7E154 T160E154-K158 HydrophobicContact CG-CD 4.19Å; E154-K158 VanDerWaalsContact O-CB 3.26Å; E154-K158 WeakPolarHBondContact O-CB 3.33Å; E154-K158 WeakPolarHBondContact O-CG 3.24Å; E154-K158 PolarHBondContact O-N 3.36Å; E154-K158 VanDerWaalsContact OE1-CE 3.25Å; E154-K158 WeakPolarHBondContact OE1-CE 3.36Å; E154-K158 IonicContact OE1-NZ 2.62Å; E154-K158 PolarHBondContact OE1-NZ 2.96Å; E154-K158 WeakPolarHBondContact OE2-CE 3.46Å; E154-K158 IonicContact OE2-NZ 2.68Å; E154-K158 PolarHBondContact OE2-NZ 3.23Å; K158-T160 HydrophobicContact CB-CG2 3.93Å; K158-T160 WeakPolarHBondContact CB-OG1 3.27Å; K158-T160 PolarHBondContact O-N 2.82Å
159G65.5Low66.3Low54 Ų54109.9 Ų109.956%0.55755%0.546SS*.THydrogen-bonded Turntrans63.812.6-172.200000113.9R155 L156 S157 V161R155-G159 PolarHBondContact O-N 2.91Å; L156-G159 PolarHBondContact O-N 3.42Å; L156-G159 VanDerWaalsContact O-N 3.08Å; S157-G159 PolarHBondContact O-N 2.81Å; G159-V161 PolarHBondContact O-N 3.28Å
160T55.6Low64.9Low82 Ų82114.1 Ų114.150%0.50356%0.559SS.*  trans-84.335.3-170.647.40000113.4R155 K158 W162R155-T160 PolarHBondContact O-N 2.9Å; R155-T160 PolarHBondContact O-OG1 2.78Å; K158-T160 HydrophobicContact CB-CG2 3.93Å; K158-T160 WeakPolarHBondContact CB-OG1 3.27Å; K158-T160 PolarHBondContact O-N 2.82Å; T160-W162 VanDerWaalsContact C-N 3.31Å; T160-W162 PolarHBondContact O-N 2.96Å
161V53.8Low63.7Low58 Ų58111.6 Ų111.635%0.35255%0.549SS..  trans-70.892.3165.9-173.10000108G159 F163 L164G159-V161 PolarHBondContact O-N 3.28Å; V161-F163 HydrophobicContact CG1-CB 4.37Å; V161-F163 PolarHBondContact O-N 3.42Å; V161-L164 HydrophobicContact CB-CB 4.5Å; V161-L164 HydrophobicContact CB-CD1 4.21Å; V161-L164 HydrophobicContact CG1-CD1 3.62Å; V161-L164 PolarHBondContact O-N 2.94Å
162W53.3Low62.5Low253 Ų253118.7 Ų118.796%0.95857%0.574SS**THydrogen-bonded Turntrans-53.6-13.6-175.4-173.777.6000115.2T160T160-W162 VanDerWaalsContact C-N 3.31Å; T160-W162 PolarHBondContact O-N 2.96Å
163F50.3Low61.7Low175 Ų175117.9 Ų117.977%0.76857%0.57SS**THydrogen-bonded Turntrans-85.9-24.3175.4-159.5-109.8000114V161 K165V161-F163 HydrophobicContact CG1-CB 4.37Å; V161-F163 PolarHBondContact O-N 3.42Å; F163-K165 VanDerWaalsContact C-N 3.31Å; F163-K165 PolarHBondContact O-N 3.24Å
164L42.4Very low61Low72 Ų72123.2 Ų123.238%0.37759%0.594SS.*  trans-87.759.6-174.5-94.284.8000113.4V161 G167 I169V161-L164 HydrophobicContact CB-CB 4.5Å; V161-L164 HydrophobicContact CB-CD1 4.21Å; V161-L164 HydrophobicContact CG1-CD1 3.62Å; V161-L164 PolarHBondContact O-N 2.94Å; L164-G167 WeakPolarHBondContact CD2-O 3.47Å; L164-I169 HydrophobicContact CD2-CB 4.3Å; L164-I169 HydrophobicContact CD2-CD1 4.47Å; L164-I169 HydrophobicContact CD2-CG1 3.37Å
165K49.8Very low60.5Low192 Ų192121.2 Ų121.284%0.83559%0.594SS**SBendtrans-85.45.7151.6-150.4178.4-178.8179.70112F163F163-K165 VanDerWaalsContact C-N 3.31Å; F163-K165 PolarHBondContact O-N 3.24Å
166Y45.2Very low60.1Low202 Ų202117.5 Ų117.579%0.79259%0.588SS**SBendtrans-144.9122.1-176.3-66.7-80.9000110.4
167G47.5Very low59.8Low60 Ų60117.9 Ų117.962%0.61959%0.587SS**SBendtrans71.4124.5167.400000114.7L164L164-G167 WeakPolarHBondContact CD2-O 3.47Å
168D55.4Low59.7Low147 Ų147116.3 Ų116.379%0.78658%0.576SS**  trans-51.6149.4177.4-53.6-72.3000112.4Y170D168-Y170 PolarHBondContact O-N 3.39Å
169I55.9Low59.9Low87 Ų87116.3 Ų116.345%0.44658%0.576SS.*  trans-56.9110.7173.9-59.9176.8000107.3L156 L164 N171L156-I169 HydrophobicContact CD1-CD1 3.92Å; L164-I169 HydrophobicContact CD2-CB 4.3Å; L164-I169 HydrophobicContact CD2-CD1 4.47Å; L164-I169 HydrophobicContact CD2-CG1 3.37Å; I169-N171 PolarHBondContact O-N 2.91Å
170Y58.4Low60.2Low209 Ų209117 Ų11782%0.8257%0.569SS**  trans-65.888.9177.1-102.1-96.4000109.2D168 Y172D168-Y170 PolarHBondContact O-N 3.39Å; Y170-Y172 VanDerWaalsContact O-CD1 3.32Å; Y170-Y172 WeakPolarHBondContact O-CD1 3.44Å; Y170-Y172 PolarHBondContact O-N 3.2Å
171N63Low61Low60 Ų60116.2 Ų116.232%0.32156%0.562SS.*  trans-78.776-173.4-162.4-9.1000109.6I169 N173 E174 F177I169-N171 PolarHBondContact O-N 2.91Å; N171-N173 PolarHBondContact O-N 2.74Å; N171-N173 PolarHBondContact OD1-O 3.41Å; N171-E174 PolarHBondContact O-N 3.38Å; N171-E174 WeakPolarHBondContact OD1-CA 3.3Å; N171-E174 PolarHBondContact OD1-N 3.12Å; N171-F177 VanDerWaalsContact ND2-CB 3.34Å; N171-F177 WeakPolarHBondContact ND2-CB 3.37Å; N171-F177 WeakPolarHBondContact ND2-CD1 3.39Å; N171-F177 VanDerWaalsContact ND2-CG 3.34Å; N171-F177 WeakPolarHBondContact ND2-CG 3.49Å; N171-F177 WeakPolarHBondContact OD1-CB 3.41Å
172Y62.6Low61.8Low231 Ų231118.1 Ų118.191%0.90657%0.57SS**THydrogen-bonded Turntrans-58.3-11.4-17652.2-98.2000113.9Y170Y170-Y172 VanDerWaalsContact O-CD1 3.32Å; Y170-Y172 WeakPolarHBondContact O-CD1 3.44Å; Y170-Y172 PolarHBondContact O-N 3.2Å
173N67.9Low62.7Low82 Ų82112.2 Ų112.244%0.43955%0.551SS.*THydrogen-bonded Turntrans-150.781.6164-169.1-10.5000110.5N171 A175 A176 F177N171-N173 PolarHBondContact O-N 2.74Å; N171-N173 PolarHBondContact OD1-O 3.41Å; N173-A175 PolarHBondContact O-N 3.38Å; N173-A175 PolarHBondContact OD1-N 2.8Å; N173-A176 HydrophobicContact CB-CB 3.92Å; N173-A176 WeakPolarHBondContact O-CA 3.2Å; N173-A176 WeakPolarHBondContact O-CB 3.33Å; N173-A176 PolarHBondContact O-N 3.33Å; N173-A176 PolarHBondContact OD1-N 2.76Å; N173-F177 PolarHBondContact O-N 2.88Å
174E69.3Low63.4Low142 Ų142106.1 Ų106.166%0.66453%0.525SS*.Hα-helixtrans-50.4-41.7175.6-175.3176-152.100112.4N171 A176 F177 S178N171-E174 PolarHBondContact O-N 3.38Å; N171-E174 WeakPolarHBondContact OD1-CA 3.3Å; N171-E174 PolarHBondContact OD1-N 3.12Å; E174-A176 PolarHBondContact O-N 3.11Å; E174-A176 VanDerWaalsContact O-N 3.17Å; E174-F177 PolarHBondContact O-N 2.98Å; E174-F177 VanDerWaalsContact O-N 3.12Å; E174-S178 PolarHBondContact O-N 2.89Å; E174-S178 PolarHBondContact O-OG 3.02Å
175A74.3Confident64.3Low54 Ų54104.6 Ų104.645%0.44653%0.527SS..Hα-helixtrans-71.8-2.8176.600000114.8N173 K179N173-A175 PolarHBondContact O-N 3.38Å; N173-A175 PolarHBondContact OD1-N 2.8Å; A175-K179 WeakPolarHBondContact O-CD 3.26Å; A175-K179 WeakPolarHBondContact O-CE 3.3Å; A175-K179 VanDerWaalsContact O-CG 3.3Å; A175-K179 WeakPolarHBondContact O-CG 3.22Å; A175-K179 PolarHBondContact O-NZ 3.45Å
176A71.6Confident64.7Low39 Ų39101.1 Ų101.132%0.32252%0.517SS..Hα-helixtrans-100.1-37.5164.400000111.5N173 E174 K179 V180N173-A176 HydrophobicContact CB-CB 3.92Å; N173-A176 WeakPolarHBondContact O-CA 3.2Å; N173-A176 WeakPolarHBondContact O-CB 3.33Å; N173-A176 PolarHBondContact O-N 3.33Å; N173-A176 PolarHBondContact OD1-N 2.76Å; E174-A176 PolarHBondContact O-N 3.11Å; E174-A176 VanDerWaalsContact O-N 3.17Å; A176-K179 PolarHBondContact O-N 2.95Å; A176-V180 WeakPolarHBondContact O-CG2 3.38Å; A176-V180 PolarHBondContact O-N 3.14Å; A176-V180 VanDerWaalsContact O-N 3.11Å
177F68.1Low65.3Low71 Ų7195.5 Ų95.531%0.31150%0.501SS..Hα-helixtrans-58.9-50.7176.8176.4-98.3000112.4L156 N171 N173 E174 K179 V180 L181L156-F177 HydrophobicContact CD1-CE2 4.19Å; L156-F177 HydrophobicContact CD2-CD2 4.36Å; L156-F177 HydrophobicContact CD2-CE2 3.89Å; L156-F177 HydrophobicContact CG-CE2 4.02Å; N171-F177 VanDerWaalsContact ND2-CB 3.34Å; N171-F177 WeakPolarHBondContact ND2-CB 3.37Å; N171-F177 WeakPolarHBondContact ND2-CD1 3.39Å; N171-F177 VanDerWaalsContact ND2-CG 3.34Å; N171-F177 WeakPolarHBondContact ND2-CG 3.49Å; N171-F177 WeakPolarHBondContact OD1-CB 3.41Å; N173-F177 PolarHBondContact O-N 2.88Å; E174-F177 PolarHBondContact O-N 2.98Å; E174-F177 VanDerWaalsContact O-N 3.12Å; F177-K179 PolarHBondContact O-N 3.33Å; F177-V180 PolarHBondContact O-N 2.91Å; F177-V180 VanDerWaalsContact O-N 3.13Å; F177-L181 HydrophobicContact CD1-CD1 4Å; F177-L181 HydrophobicContact CE1-CD1 3.44Å; F177-L181 VanDerWaalsContact CE1-CD1 3.44Å; F177-L181 HydrophobicContact CE2-CD1 4.3Å; F177-L181 HydrophobicContact CZ-CD1 3.62Å; F177-L181 PolarHBondContact O-N 2.81Å; F177-L181 VanDerWaalsContact O-N 3.16Å
178S70.8Confident65.6Low50 Ų5098.5 Ų98.535%0.3550%0.497SS..Hα-helixtrans-57.2-49174.6-53.20000110.9E174 V180 L181 D182E174-S178 PolarHBondContact O-N 2.89Å; E174-S178 PolarHBondContact O-OG 3.02Å; S178-V180 PolarHBondContact O-N 2.99Å; S178-L181 PolarHBondContact O-N 3.16Å; S178-D182 VanDerWaalsContact C-OD2 3.23Å; S178-D182 WeakPolarHBondContact O-CB 3.38Å; S178-D182 PolarHBondContact O-N 2.91Å
179K76.3Confident65.2Low123 Ų12398.1 Ų98.154%0.53550%0.495SS..Hα-helixtrans-63.5-9.2179.1-66.1-177-168.7126.80115.4A175 A176 F177 K183A175-K179 WeakPolarHBondContact O-CD 3.26Å; A175-K179 WeakPolarHBondContact O-CE 3.3Å; A175-K179 VanDerWaalsContact O-CG 3.3Å; A175-K179 WeakPolarHBondContact O-CG 3.22Å; A175-K179 PolarHBondContact O-NZ 3.45Å; A176-K179 PolarHBondContact O-N 2.95Å; F177-K179 PolarHBondContact O-N 3.33Å; K179-K183 WeakPolarHBondContact O-CD 3.36Å; K179-K183 WeakPolarHBondContact O-CE 3.12Å; K179-K183 WeakPolarHBondContact O-CG 3.02Å
180V73.1Confident64.9Low67 Ų6797.6 Ų97.641%0.40650%0.496SS..Hα-helixtrans-93.3-46170.9170.30000109.7L153 A176 F177 S178 K183 E184L153-V180 HydrophobicContact CD2-CG1 3.51Å; A176-V180 WeakPolarHBondContact O-CG2 3.38Å; A176-V180 PolarHBondContact O-N 3.14Å; A176-V180 VanDerWaalsContact O-N 3.11Å; F177-V180 PolarHBondContact O-N 2.91Å; F177-V180 VanDerWaalsContact O-N 3.13Å; S178-V180 PolarHBondContact O-N 2.99Å; V180-K183 PolarHBondContact O-N 2.79Å; V180-E184 PolarHBondContact O-N 2.79Å
181L71.2Confident64.3Low67 Ų6791.4 Ų91.435%0.35148%0.477SS..Hα-helixtrans-59.4-45.2173-80.6164.5000112.7F177 S178 K183 E184 G185F177-L181 HydrophobicContact CD1-CD1 4Å; F177-L181 HydrophobicContact CE1-CD1 3.44Å; F177-L181 VanDerWaalsContact CE1-CD1 3.44Å; F177-L181 HydrophobicContact CE2-CD1 4.3Å; F177-L181 HydrophobicContact CZ-CD1 3.62Å; F177-L181 PolarHBondContact O-N 2.81Å; F177-L181 VanDerWaalsContact O-N 3.16Å; S178-L181 PolarHBondContact O-N 3.16Å; L181-K183 PolarHBondContact O-N 3.05Å; L181-E184 CarbonylContact O-C 3.53Å; L181-E184 PolarHBondContact O-N 3.05Å; L181-E184 VanDerWaalsContact O-N 3.13Å; L181-G185 PolarHBondContact O-N 3.13Å
182D72.2Confident63.5Low98 Ų9897 Ų9752%0.52450%0.501SS..Hα-helixtrans-60.1-46.2-179.6-58.5-31.4000110.6S178 E184 G185 D186S178-D182 VanDerWaalsContact C-OD2 3.23Å; S178-D182 WeakPolarHBondContact O-CB 3.38Å; S178-D182 PolarHBondContact O-N 2.91Å; D182-E184 VanDerWaalsContact C-N 3.31Å; D182-E184 PolarHBondContact O-N 3.31Å; D182-G185 WeakPolarHBondContact O-CA 3.36Å; D182-G185 PolarHBondContact O-N 3.35Å; D182-D186 PolarHBondContact O-N 3Å; D182-D186 VanDerWaalsContact O-N 3.11Å
183K72Confident62.6Low129 Ų12991.2 Ų91.256%0.56149%0.49SS*.Hα-helixtrans-64.1-34.1175.3-72.6176.8-171.9177.80113.1K179 V180 L181 D186 N187K179-K183 WeakPolarHBondContact O-CD 3.36Å; K179-K183 WeakPolarHBondContact O-CE 3.12Å; K179-K183 WeakPolarHBondContact O-CG 3.02Å; V180-K183 PolarHBondContact O-N 2.79Å; L181-K183 PolarHBondContact O-N 3.05Å; K183-D186 PolarHBondContact O-N 2.79Å; K183-N187 VanDerWaalsContact O-CB 3.28Å; K183-N187 WeakPolarHBondContact O-CB 3.31Å; K183-N187 PolarHBondContact O-N 3.29Å; K183-N187 PolarHBondContact O-ND2 3.23Å
184E65.3Low61.5Low46 Ų4691.1 Ų91.122%0.21549%0.492CS..Hα-helixtrans-76.9-13.2175.7-145.9-154126.100112L153 V180 L181 D182 K188L153-E184 WeakPolarHBondContact CB-OE2 3.31Å; V180-E184 PolarHBondContact O-N 2.79Å; L181-E184 CarbonylContact O-C 3.53Å; L181-E184 PolarHBondContact O-N 3.05Å; L181-E184 VanDerWaalsContact O-N 3.13Å; D182-E184 VanDerWaalsContact C-N 3.31Å; D182-E184 PolarHBondContact O-N 3.31Å; E184-K188 VanDerWaalsContact CD-NZ 3.35Å; E184-K188 WeakPolarHBondContact O-CD 3.24Å; E184-K188 WeakPolarHBondContact O-CG 3.17Å; E184-K188 PolarHBondContact O-NZ 3.41Å; E184-K188 IonicContact OE1-NZ 2.9Å; E184-K188 PolarHBondContact OE1-NZ 3.37Å
185G61.3Low60.5Low40 Ų4089.7 Ų89.741%0.41249%0.485SS..Hα-helixtrans-69.4-62.7159.800000110.1L181 D182 N187 K188L181-G185 PolarHBondContact O-N 3.13Å; D182-G185 WeakPolarHBondContact O-CA 3.36Å; D182-G185 PolarHBondContact O-N 3.35Å; G185-N187 VanDerWaalsContact C-N 3.34Å; G185-N187 PolarHBondContact O-N 3.06Å; G185-K188 PolarHBondContact O-N 3.33Å
186D57Low59Low120 Ų12091.8 Ų91.864%0.64249%0.492SS*.Hα-helixtrans-58.3-38.7-175.4-68.2-24.9000113.7D182 K183 K188D182-D186 PolarHBondContact O-N 3Å; D182-D186 VanDerWaalsContact O-N 3.11Å; K183-D186 PolarHBondContact O-N 2.79Å; D186-K188 VanDerWaalsContact C-N 3.34Å; D186-K188 PolarHBondContact O-N 2.89Å
187N57Low57.6Low84 Ų8494.7 Ų94.745%0.44950%0.502SS..THydrogen-bonded Turntrans-70.6-24.5-176.8-75.6-13.1000113.9K183 G185 D189 V190 D191K183-N187 VanDerWaalsContact O-CB 3.28Å; K183-N187 WeakPolarHBondContact O-CB 3.31Å; K183-N187 PolarHBondContact O-N 3.29Å; K183-N187 PolarHBondContact O-ND2 3.23Å; G185-N187 VanDerWaalsContact C-N 3.34Å; G185-N187 PolarHBondContact O-N 3.06Å; N187-D189 VanDerWaalsContact C-N 3.25Å; N187-D189 PolarHBondContact O-N 3.01Å; N187-V190 PolarHBondContact O-N 2.98Å; N187-D191 PolarHBondContact O-N 3.48Å
188K55.2Low56.4Low122 Ų12297 Ų9753%0.5352%0.518SS..Hα-helixtrans-64.6-31.7-176.8-79.9178.8-179.779.50112.5E184 G185 D186 V190E184-K188 VanDerWaalsContact CD-NZ 3.35Å; E184-K188 WeakPolarHBondContact O-CD 3.24Å; E184-K188 WeakPolarHBondContact O-CG 3.17Å; E184-K188 PolarHBondContact O-NZ 3.41Å; E184-K188 IonicContact OE1-NZ 2.9Å; E184-K188 PolarHBondContact OE1-NZ 3.37Å; G185-K188 PolarHBondContact O-N 3.33Å; D186-K188 VanDerWaalsContact C-N 3.34Å; D186-K188 PolarHBondContact O-N 2.89Å; K188-V190 VanDerWaalsContact C-N 3.27Å; K188-V190 PolarHBondContact O-N 3.11Å
189D45.9Very low55.1Low140 Ų140101.2 Ų101.275%0.74954%0.536SS*.Hα-helixtrans-84.5-0.2177.1-63.4-18.9000112.8N187N187-D189 VanDerWaalsContact C-N 3.25Å; N187-D189 PolarHBondContact O-N 3.01Å
190V49.4Very low53.4Low75 Ų75103.7 Ų103.746%0.45555%0.549SS..Hα-helixtrans-115.2-41.9-176.4-179.60000112.4N187 K188 E192 V193 V194N187-V190 PolarHBondContact O-N 2.98Å; K188-V190 VanDerWaalsContact C-N 3.27Å; K188-V190 PolarHBondContact O-N 3.11Å; V190-E192 PolarHBondContact O-N 2.78Å; V190-V193 PolarHBondContact O-N 3.02Å; V190-V194 HydrophobicContact CG1-CG2 4Å; V190-V194 WeakPolarHBondContact O-CG2 3.24Å; V190-V194 PolarHBondContact O-N 3.3Å
191D47.8Very low51.9Low80 Ų80108.1 Ų108.143%0.42856%0.559SS.*Hα-helixtrans-62.5-28.6-178.4-85.8-29.5000112.6N187 V193 V194 E195N187-D191 PolarHBondContact O-N 3.48Å; D191-V193 PolarHBondContact O-N 3.11Å; D191-V194 PolarHBondContact O-N 2.78Å; D191-E195 PolarHBondContact O-N 2.86Å
192E45.9Very low50.5Low176 Ų176110 Ų11082%0.82257%0.573SS**Hα-helixtrans-65.2-19.1174.9-168.7169.2-134.100113.2V190V190-E192 PolarHBondContact O-N 2.78Å
193V43.2Very low48.7Very low111 Ų111116 Ų11667%0.67359%0.588SS**Hα-helixtrans-102.3-21.6-179.6-170.70000112.4V190 D191V190-V193 PolarHBondContact O-N 3.02Å; D191-V193 PolarHBondContact O-N 3.11Å
194V45Very low47.2Very low80 Ų80120.3 Ų120.349%0.48560%0.602SS.*Hα-helixtrans-94-28-171.7176.40000113.8V190 D191 V196V190-V194 HydrophobicContact CG1-CG2 4Å; V190-V194 WeakPolarHBondContact O-CG2 3.24Å; V190-V194 PolarHBondContact O-N 3.3Å; D191-V194 PolarHBondContact O-N 2.78Å; V194-V196 PolarHBondContact O-N 2.8Å
195E47Very low46.1Very low111 Ų111122.8 Ų122.852%0.51962%0.62SS.*THydrogen-bonded Turntrans-65.9-9.8-179.1-77.5-107.1116.200114.6K143 D191 L199K143-E195 IonicContact NZ-OE1 2.75Å; K143-E195 PolarHBondContact NZ-OE1 3.07Å; D191-E195 PolarHBondContact O-N 2.86Å; E195-L199 WeakPolarHBondContact O-CD1 3.21Å; E195-L199 WeakPolarHBondContact O-CG 3.29Å
196V44.3Very low45Very low99 Ų99128.7 Ų128.760%0.664%0.637SS**THydrogen-bonded Turntrans-84.9-44.6-176.5-170.60000113.4V194 D198 L199V194-V196 PolarHBondContact O-N 2.8Å; V196-D198 PolarHBondContact O-N 3.33Å; V196-L199 PolarHBondContact O-N 2.71Å
197D40.5Very low44.3Very low100 Ų100130.1 Ų130.154%0.53565%0.645SS.*THydrogen-bonded Turntrans-77.2-23.5-168.9-172.650.7000114R201D197-R201 IonicContact OD1-NH2 2.59Å; D197-R201 PolarHBondContact OD1-NH2 3.29Å; D197-R201 IonicContact OD2-CZ 2.67Å; D197-R201 IonicContact OD2-NH1 3.69Å; D197-R201 IonicContact OD2-NH2 2.67Å; D197-R201 PolarHBondContact OD2-NH2 3.43Å
198D43.6Very low43.3Very low120 Ų120135.1 Ų135.164%0.64266%0.663SS**THydrogen-bonded Turntrans-81.4-18174.6-98.3-14.4000113.3V196V196-D198 PolarHBondContact O-N 3.33Å
199L43.1Very low42.3Very low137 Ų137137.9 Ų137.972%0.71768%0.678SS**THydrogen-bonded Turntrans-79-29.2177.3-75.6174.5000112.9E195 V196E195-L199 WeakPolarHBondContact O-CD1 3.21Å; E195-L199 WeakPolarHBondContact O-CG 3.29Å; V196-L199 PolarHBondContact O-N 2.71Å
200E40.5Very low42Very low175 Ų175140.5 Ų140.582%0.81869%0.685SS**THydrogen-bonded Turntrans-86.8-8.2-176.8-163.2153.3-136.700113.4
201R42.1Very low41.3Very low160 Ų160142.6 Ų142.660%0.60470%0.704SS**THydrogen-bonded Turntrans-95-0.2-178.1-149.6168.5-63.7146.56.6115.2D197 R203D197-R201 IonicContact OD1-NH2 2.59Å; D197-R201 PolarHBondContact OD1-NH2 3.29Å; D197-R201 IonicContact OD2-CZ 2.67Å; D197-R201 IonicContact OD2-NH1 3.69Å; D197-R201 IonicContact OD2-NH2 2.67Å; D197-R201 PolarHBondContact OD2-NH2 3.43Å; R201-R203 VanDerWaalsContact C-N 3.27Å; R201-R203 PolarHBondContact O-N 3.42Å
202V41.3Very low40.9Very low108 Ų108141.8 Ų141.866%0.65570%0.704SS**SBendtrans-71.786.9164.7-176.90000108.3Y204V202-Y204 PolarHBondContact O-N 3.38Å; V202-Y204 VanDerWaalsContact O-N 3.07Å
203R36.1Very low40.9Very low224 Ų224141.9 Ų141.985%0.84571%0.705SS**  trans-46.3119.3175-100-176.2171.5170.4-2.6110R201 V205R201-R203 VanDerWaalsContact C-N 3.27Å; R201-R203 PolarHBondContact O-N 3.42Å; R203-V205 HydrophobicContact CB-CG2 4.39Å; R203-V205 PolarHBondContact O-N 3.03Å
204Y40.2Very low41Very low219 Ų219140.1 Ų140.186%0.85970%0.697SS**  trans-67.186.3166.1-79.6-104.3000108.4V202 E206V202-Y204 PolarHBondContact O-N 3.38Å; V202-Y204 VanDerWaalsContact O-N 3.07Å; Y204-E206 VanDerWaalsContact C-N 3.29Å; Y204-E206 PolarHBondContact O-N 2.85Å; Y204-E206 VanDerWaalsContact O-N 3.08Å
205V42Very low40.9Very low97 Ų97142.1 Ų142.159%0.58871%0.705SS**  trans-75.690.2165.7178.90000106.6R203 D207R203-V205 HydrophobicContact CB-CG2 4.39Å; R203-V205 PolarHBondContact O-N 3.03Å; V205-D207 HydrophobicContact CG1-CB 4.1Å; V205-D207 VanDerWaalsContact CG1-OD1 3.3Å; V205-D207 WeakPolarHBondContact CG1-OD1 3.48Å; V205-D207 WeakPolarHBondContact CG1-OD2 3.32Å; V205-D207 PolarHBondContact O-N 2.8Å
206E37.6Very low41.2Very low164 Ų164141.7 Ų141.777%0.76671%0.705SS**  trans-7365166.3-68.7-169.2118.800110.1Y204 F208Y204-E206 VanDerWaalsContact C-N 3.29Å; Y204-E206 PolarHBondContact O-N 2.85Å; Y204-E206 VanDerWaalsContact O-N 3.08Å; E206-F208 PolarHBondContact O-N 2.85Å
207D41.8Very low41.4Very low150 Ų150143.2 Ų143.280%0.80271%0.706SS**THydrogen-bonded Turntrans-70.451.2162.3-76.2-13.1000109.7V205V205-D207 HydrophobicContact CG1-CB 4.1Å; V205-D207 VanDerWaalsContact CG1-OD1 3.3Å; V205-D207 WeakPolarHBondContact CG1-OD1 3.48Å; V205-D207 WeakPolarHBondContact CG1-OD2 3.32Å; V205-D207 PolarHBondContact O-N 2.8Å
208F37.3Very low41.9Very low190 Ų190143.7 Ų143.783%0.83371%0.712SS**THydrogen-bonded Turntrans-133.410.9175.4-154.5-101.4000113.2E206E206-F208 PolarHBondContact O-N 2.85Å
209E34.3Very low41.9Very low180 Ų180145.7 Ų145.784%0.84172%0.715SS**SBendtrans-138.9139.1162.2-110.9150.5-140.100111.9S211E209-S211 PolarHBondContact O-N 2.85Å
210E38.1Very low42.4Very low194 Ų194144.4 Ų144.491%0.90770%0.704SS**  trans61.436.7158-146.8156.7-128.600121.5S212E210-S212 PolarHBondContact O-N 3.01Å
211S36.6Very low42.8Very low120 Ų120142.1 Ų142.184%0.83970%0.697SS**SBendtrans-76.973.4153.8-169.70000111.4E209E209-S211 PolarHBondContact O-N 2.85Å
212S38.7Very low43.4Very low62 Ų62140.1 Ų140.143%0.43470%0.697SS.*  trans41.6113.5157.458.40000119.5E210 S214E210-S212 PolarHBondContact O-N 3.01Å; S212-S214 PolarHBondContact O-N 2.74Å
213E46.1Very low43.4Very low179 Ų179141.8 Ų141.884%0.83670%0.696SS**THydrogen-bonded Turntrans-65.90.9172.7-63.6-171.5106.800115.2
214S44Very low43.9Very low73 Ų73138.9 Ų138.951%0.5169%0.69SS.*THydrogen-bonded Turntrans-69.7-37.7-176.852.60000114.8S212 I216S212-S214 PolarHBondContact O-N 2.74Å; S214-I216 VanDerWaalsContact C-N 3.3Å; S214-I216 PolarHBondContact O-N 3.17Å
215D43.7Very low44.3Very low122 Ų122131.9 Ų131.965%0.65268%0.677SS**THydrogen-bonded Turntrans-89.1-2.9-164.3-72.628.1000112.7E217D215-E217 VanDerWaalsContact C-N 3.32Å; D215-E217 PolarHBondContact O-N 2.74Å
216I53.6Low44.7Very low102 Ų102131.3 Ų131.352%0.52368%0.678SS.*THydrogen-bonded Turntrans-87.3-2.4-175.1-33.4-179.3000111.6S214 K220S214-I216 VanDerWaalsContact C-N 3.3Å; S214-I216 PolarHBondContact O-N 3.17Å; I216-K220 WeakPolarHBondContact O-CD 3.45Å; I216-K220 WeakPolarHBondContact O-CE 3.26Å; I216-K220 WeakPolarHBondContact O-CG 3.34Å; I216-K220 PolarHBondContact O-NZ 2.81Å
217E48Very low45.1Very low132 Ų132132.4 Ų132.462%0.61768%0.676SS**THydrogen-bonded Turntrans-92.3-50.8-178.4-54.3-134.3112.900111.8D215 F219 K220D215-E217 VanDerWaalsContact C-N 3.32Å; D215-E217 PolarHBondContact O-N 2.74Å; E217-F219 PolarHBondContact O-N 2.65Å; E217-F219 VanDerWaalsContact O-N 3.1Å; E217-K220 WeakPolarHBondContact O-CB 3.3Å; E217-K220 PolarHBondContact O-N 3.45Å
218V51.2Low45.2Very low110 Ų110132 Ų13267%0.66767%0.673SS**Hα-helixtrans-57.1-32.1-177.4-175.10000112.9
219F44.5Very low45.3Very low162 Ų162131.3 Ų131.371%0.71167%0.67SS**Hα-helixtrans-79-16.6-178.5-140.9-87.6000114.3E217E217-F219 PolarHBondContact O-N 2.65Å; E217-F219 VanDerWaalsContact O-N 3.1Å
220K52.6Low45.5Very low109 Ų109127.7 Ų127.747%0.47467%0.665SS.*Hα-helixtrans-73.5-42.9-178.6-69.4169.3-175.8127.50111.8I216 E217 F223 F224I216-K220 WeakPolarHBondContact O-CD 3.45Å; I216-K220 WeakPolarHBondContact O-CE 3.26Å; I216-K220 WeakPolarHBondContact O-CG 3.34Å; I216-K220 PolarHBondContact O-NZ 2.81Å; E217-K220 WeakPolarHBondContact O-CB 3.3Å; E217-K220 PolarHBondContact O-N 3.45Å; K220-F223 PolarHBondContact O-N 3.28Å; K220-F224 PolarHBondContact O-N 2.74Å; K220-F224 VanDerWaalsContact O-N 3.08Å
221D49.5Very low45.3Very low127 Ų127124 Ų12468%0.67966%0.656SS**Hα-helixtrans-72.7-37.3-171.8-68.1-13.2000112.6F223 F224 A225D221-F223 VanDerWaalsContact C-N 3.33Å; D221-F223 PolarHBondContact O-N 2.79Å; D221-F224 PolarHBondContact O-N 3.44Å; D221-A225 PolarHBondContact O-N 2.99Å
222I53.5Low45.2Very low118 Ų118127.9 Ų127.961%0.60566%0.658SS**Hα-helixtrans-64.6-38.7174.3-60.1173.6000110.8S226I222-S226 PolarHBondContact O-OG 3.23Å
223F42.5Very low45.3Very low144 Ų144129.4 Ų129.463%0.63267%0.666SS**Hα-helixtrans-71.4-34.8179.2-167.7-102.2000112.7K220 D221 S226K220-F223 PolarHBondContact O-N 3.28Å; D221-F223 VanDerWaalsContact C-N 3.33Å; D221-F223 PolarHBondContact O-N 2.79Å; F223-S226 PolarHBondContact O-OG 2.99Å
224F46.9Very low44.9Very low162 Ų162127.6 Ų127.671%0.71166%0.658SS**Hα-helixtrans-70.2-40.1178.2-168-106.1000112.7K220 D221K220-F224 PolarHBondContact O-N 2.74Å; K220-F224 VanDerWaalsContact O-N 3.08Å; D221-F224 PolarHBondContact O-N 3.44Å
225A48.6Very low44.6Very low72 Ų72127.5 Ų127.560%0.59565%0.651SS**Hα-helixtrans-66.2-39.4-177.200000113.6D221 Y227D221-A225 PolarHBondContact O-N 2.99Å; A225-Y227 PolarHBondContact O-N 2.79Å
226S48.7Very low44.5Very low85 Ų85127.4 Ų127.459%0.59465%0.651SS**Hα-helixtrans-72.2-25.5-175.956.10000114.3I222 F223 L228I222-S226 PolarHBondContact O-OG 3.23Å; F223-S226 PolarHBondContact O-OG 2.99Å; S226-L228 PolarHBondContact O-N 2.89Å
227Y47Very low43.7Very low187 Ų187128.2 Ų128.273%0.73366%0.66SS**THydrogen-bonded Turntrans-73.8-6.7-173.3-167.9-102.3000114.4A225A225-Y227 PolarHBondContact O-N 2.79Å
228L44.7Very low43.2Very low142 Ų142127.7 Ų127.774%0.74367%0.668SS**THydrogen-bonded Turntrans-95.1-16-169.3-134.977.9000115.9S226S226-L228 PolarHBondContact O-N 2.89Å
229F38.9Very low42.5Very low175 Ų175132.3 Ų132.377%0.76868%0.679SS**SBendtrans-104.6-31.7-155.5-169.4-112.2000117.6T231F229-T231 PolarHBondContact O-OG1 2.84Å; F229-T231 VanDerWaalsContact O-OG1 3.13Å
230S37.4Very low42.2Very low105 Ų105132.6 Ų132.673%0.73469%0.687SS**  trans-141.1100.1-172.4-64.70000111.1
231T33.8Very low41.5Very low116 Ų116131.7 Ų131.771%0.71270%0.699SS**  cis76.475.135.478.10000117.3F229F229-T231 PolarHBondContact O-OG1 2.84Å; F229-T231 VanDerWaalsContact O-OG1 3.13Å
232F34.4Very low40.8Very low202 Ų202131.1 Ų131.189%0.88671%0.705SS**  trans91.9151.7138.8-93.7-117.8000121.4
233P41.8Very low40.1Very low94 Ų94130 Ų13061%0.6171%0.708SS**  trans-127.2170.8-14743.8-29.7000115.7
234Q38.4Very low39.9Very low140 Ų140128.5 Ų128.565%0.65471%0.711SS**  trans-145.954.9-161.1-71.2-75-57.200120.8K10K10-Q234 VanDerWaalsContact CE-CB 3.45Å; K10-Q234 WeakPolarHBondContact CE-O 3.39Å; K10-Q234 PolarHBondContact NZ-O 2.83Å
235D37.1Very low39.6Very low71 Ų71127.6 Ų127.638%0.3871%0.709SS.*  trans62.5172.9153.4-7213.3000120.3V9 K10V9-D235 WeakPolarHBondContact CG1-OD1 3.39Å; K10-D235 WeakPolarHBondContact CB-OD2 3.31Å; K10-D235 HydrophobicContact CD-CB 4.04Å; K10-D235 VanDerWaalsContact CD-OD2 3.26Å; K10-D235 WeakPolarHBondContact CD-OD2 3.5Å; K10-D235 HydrophobicContact CG-CB 4.49Å; K10-D235 VanDerWaalsContact CG-OD2 3.28Å; K10-D235 WeakPolarHBondContact CG-OD2 3.34Å
236L41Very low39.3Very low121 Ų121128.7 Ų128.763%0.63471%0.712SS**  cis-151.8162.3-12.4-116.3163.3000112.6
237T37Very low38.8Very low118 Ų118129.1 Ų129.172%0.72471%0.708SS**  trans-58.8169.4-171.250.50000122
238P37.3Very low38.7Very low121 Ų121126 Ų12679%0.78671%0.713SS**  trans-104.1-172.1-172.242.9-37.8000116.7
239K37.8Very low38.4Very low207 Ų207124.9 Ų124.990%0.972%0.717SS**  trans-103.8172.1176.7-78.2-177.7177.1175.70114.3
240I38Very low38.9Very low169 Ų169120.2 Ų120.287%0.86772%0.719SS**  trans-142.7142.4-165-62.5157.8000112.7
241A37.3Very low38.9Very low89 Ų89122 Ų12274%0.73672%0.715SS**  trans-144.4134.415000000107.1
242S34.7Very low39.5Very low116 Ų116124.5 Ų124.581%0.81172%0.724SS**  72.1126.661.2-153.60000111.6
243S38.4Very low39.8Very low94 Ų94123 Ų12366%0.65772%0.72SS**  cis-155.1157.935.655.10000117.2
244T38.3Very low39.9Very low112 Ų112124.2 Ų124.269%0.68773%0.728SS**  trans48.4116.2142.255.10000122.1
245E41.8Very low40Very low143 Ų143126.3 Ų126.367%0.66874%0.738SS**  79.3142.978.1-61.2-25.214400115.2K111K111-E245 IonicContact NZ-OE2 3.33Å; K111-E245 PolarHBondContact NZ-OE2 2.98Å
246S42.4Very low39.7Very low95 Ų95128.4 Ų128.466%0.66476%0.758SS**  cis-96.7-151.93.6-56.40000112.1K111K111-S246 PolarHBondContact NZ-O 2.74Å
247D38.5Very low39.8Very low95 Ų95132.6 Ų132.651%0.50877%0.771SS.*  cis85.4118.5-9.4-58.6119.1000123.2K111K111-D247 WeakPolarHBondContact CE-OD1 3.35Å; K111-D247 WeakPolarHBondContact CE-OD2 3.18Å; K111-D247 VanDerWaalsContact NZ-CG 3.34Å; K111-D247 IonicContact NZ-OD1 2.74Å; K111-D247 PolarHBondContact NZ-OD1 3.2Å; K111-D247 IonicContact NZ-OD2 2.71Å
248S44.9Very low39.6Very low122 Ų122132.4 Ų132.485%0.85378%0.775SS**  trans-158.2162.2149-173.20000108.9
249S38Very low40.1Very low118 Ų118137.9 Ų137.983%0.82578%0.78SS**  trans-152.8151-161.2600000117.1
250G47.9Very low40.6Very low77 Ų77139.4 Ų139.479%0.79478%0.78SS**  trans-135.9151.6160.700000111.1
251E37.7Very low40.7Very low141 Ų141143.1 Ų143.166%0.65978%0.783SS**  trans-108.9158.7179.2-61.6-161.895.900111.5R71R71-E251 IonicContact CZ-OE1 2.74Å; R71-E251 VanDerWaalsContact CZ-OE1 3.24Å; R71-E251 IonicContact NH1-OE1 2.74Å; R71-E251 PolarHBondContact NH1-OE1 3.27Å; R71-E251 IonicContact NH1-OE2 3.22Å; R71-E251 PolarHBondContact NH1-OE2 3.46Å; R71-E251 IonicContact NH2-OE1 2.65Å; R71-E251 PolarHBondContact NH2-OE1 2.99Å
252D46.3Very low41.4Very low169 Ų169151 Ų15190%0.90479%0.793SS**  trans-160.1145.4148.1-109-35.1000111.6
253E42.5Very low41.6Very low170 Ų170156 Ų15679%0.79480%0.8SS**  trans-110.7144.8173.6-91.6-155.3175.500111.8
254P43.6Very low42Very low121 Ų121155 Ų15579%0.78681%0.805SS**  trans-106.4128.2159.634.4-27.1000112.5
255Q38.9Very low42.9Very low183 Ų183159.4 Ų159.486%0.85582%0.815SS**  trans-69.5154.5-179.6-67.2-177.4-5.700114.2
256S32.6Very low43.5Very low115 Ų115158.3 Ų158.380%0.80482%0.82SS**  trans-71.5135.3176.9610000114
257K42.4Very low44Very low210 Ų210159.4 Ų159.491%0.91383%0.825SS**  trans-131.4138.3150.4-71.4-172.9179.6171.60110.9
258S33.1Very low44.6Very low114 Ų114164.9 Ų164.980%0.79784%0.844SS**  trans-95.6149.1-170.659.60000112.4
259R46.9Very low45.1Very low236 Ų236168.3 Ų168.389%0.89184%0.844SS**  trans-157.4117.6153.3-114160.2-169.4-156.40.8114.9
260R47.7Very low45.6Very low238 Ų238167.3 Ų167.390%0.89884%0.835SS**  trans47.9112.5147.4-66.3-178170.1178.6-4.6120
261R40.2Very low45.7Very low247 Ų247173.5 Ų173.593%0.93284%0.839SS**  trans-59.3143.9158.5-64.9170.2166.5172.8-5.7111.9
262R51.7Low46.3Very low254 Ų254174.3 Ų174.396%0.95884%0.841SS**  trans-128149144.9-83.5-172.3165.6179.5-4.9109
263K40.1Very low46.6Very low221 Ų221174.3 Ų174.396%0.96184%0.84SS**  trans-82.4135.5-174.2-68.4176.7177.6175.90110.6
264G47.1Very low47.1Very low73 Ų73175.4 Ų175.475%0.75384%0.843SS**  trans-139.1146.1167.300000110.1
265K55.9Low47.7Very low206 Ų206178.4 Ų178.490%0.89684%0.844SS**PPolyproline II helixtrans-72.6143.3179.6-73.2175.7176.21740110.6
266P55.5Low49Very low119 Ų119178.9 Ų178.977%0.77384%0.843SS**PPolyproline II helixtrans-77.4129.2178.230.6-33.4000111.5
267P53Low50.7Low119 Ų119178.7 Ų178.777%0.77384%0.839SS**PPolyproline II helixtrans-71.9141.4168.429.5-33000110.7K269P267-K269 PolarHBondContact O-N 3.3Å
268K50.4Low51.5Low210 Ų210176 Ų17691%0.91383%0.829SS**PPolyproline II helixtrans-68.4124.2175.6-63.4176.9-1781760109.3
269K56.3Low53.6Low194 Ų194175.6 Ų175.684%0.84382%0.822SS**PPolyproline II helixtrans-82.7128.2177-66.6-173.3177-173.80111.1P267P267-K269 PolarHBondContact O-N 3.3Å
270P48.6Very low54.9Low97 Ų97170.8 Ų170.863%0.6381%0.809SS**PPolyproline II helixtrans-70.714617129.8-34000111.3F272P270-F272 HydrophobicContact CB-CD2 3.99Å; P270-F272 HydrophobicContact CB-CE2 3.83Å; P270-F272 HydrophobicContact CG-CD2 3.97Å; P270-F272 HydrophobicContact CG-CE2 3.91Å; P270-F272 PolarHBondContact O-N 2.74Å
271K49.3Very low56.3Low206 Ų206164.9 Ų164.990%0.89679%0.794SS**  trans-88.771.4-176.8-65.6178.9-178.61740111.9L273K271-L273 PolarHBondContact O-N 3.3Å
272F49.6Very low58.1Low159 Ų159162 Ų16270%0.69779%0.791SS**  trans-77.8108.8172.7-77.7-75.7000111.6P270 F274P270-F272 HydrophobicContact CB-CD2 3.99Å; P270-F272 HydrophobicContact CB-CE2 3.83Å; P270-F272 HydrophobicContact CG-CD2 3.97Å; P270-F272 HydrophobicContact CG-CE2 3.91Å; P270-F272 PolarHBondContact O-N 2.74Å; F272-F274 HydrophobicContact CB-CE2 4.31Å; F272-F274 PolarHBondContact O-N 2.69Å
273L54.2Low59.3Low169 Ų169159 Ų15989%0.88578%0.781SS**  trans-77.692.7173.4-75.7168000110K271 K275K271-L273 PolarHBondContact O-N 3.3Å; L273-K275 PolarHBondContact O-N 3.39Å
274F51.2Low61Low192 Ų192158 Ų15884%0.84278%0.78SS**  trans-65.793.1171.8-76.1-85.8000111.2F272 K276F272-F274 HydrophobicContact CB-CE2 4.31Å; F272-F274 PolarHBondContact O-N 2.69Å; F274-K276 PolarHBondContact O-N 3.12Å
275K56.4Low62.3Low185 Ų185163.1 Ų163.180%0.80479%0.785SS**PPolyproline II helixtrans-61.4128154.9-72.3-176.3176.8-179.10107.4L273L273-K275 PolarHBondContact O-N 3.39Å
276K66.2Low62.8Low192 Ų192158.2 Ų158.284%0.83578%0.783SS**PPolyproline II helixtrans-73.4144.6174.4-64.3-176.9179.3-1760109.3F274F274-K276 PolarHBondContact O-N 3.12Å
277P68.1Low63.6Low112 Ų112158.9 Ų158.973%0.72778%0.784SS**PPolyproline II helixtrans-64.9142.5173.828.2-34.1000110.7
278H60.8Low64.3Low152 Ų152158.5 Ų158.570%0.70478%0.781SS**PPolyproline II helixtrans-79.7148.2162.2-163.9-111.8000108.4E280H278-E280 IonicContact CE1-OE1 2.79Å; H278-E280 PolarHBondContact CE1-OE1 3.07Å; H278-E280 IonicContact CG-OE1 2.8Å; H278-E280 IonicContact ND1-OE1 3.21Å; H278-E280 PolarHBondContact ND1-OE1 3.24Å
279V75.6Confident64.8Low106 Ų106153.9 Ų153.964%0.64278%0.776SS**  trans-132.8106.6172.8178.20000105.8I281V279-I281 HydrophobicContact CG1-CG1 4.24Å
280E74.6Confident65Low136 Ų136151.1 Ų151.164%0.63678%0.775SS**  trans-64.3139.9162.5-70.794.9-119.900108.8H278H278-E280 IonicContact CE1-OE1 2.79Å; H278-E280 PolarHBondContact CE1-OE1 3.07Å; H278-E280 IonicContact CG-OE1 2.8Å; H278-E280 IonicContact ND1-OE1 3.21Å; H278-E280 PolarHBondContact ND1-OE1 3.24Å
281I76.6Confident65.6Low113 Ų113151.5 Ų151.558%0.57978%0.78SS**  trans-125.1106.6170.5-60176.1000105.2V279 Y283V279-I281 HydrophobicContact CG1-CG1 4.24Å; I281-Y283 HydrophobicContact CB-CE2 4.18Å; I281-Y283 HydrophobicContact CG2-CD2 4.22Å; I281-Y283 HydrophobicContact CG2-CE1 4.46Å; I281-Y283 HydrophobicContact CG2-CE2 3.77Å; I281-Y283 WeakPolarHBondContact O-CD2 3.31Å
282E78.8Confident65.9Low186 Ų186152.6 Ų152.687%0.86978%0.779SS**  trans-74.9139.1168.2-66.9173.5172.400108.1
283Y77.6Confident66.3Low192 Ų192151.6 Ų151.675%0.75379%0.786SS**  trans-114.8121.9176-69.3-97.2000107.5I281 E285I281-Y283 HydrophobicContact CB-CE2 4.18Å; I281-Y283 HydrophobicContact CG2-CD2 4.22Å; I281-Y283 HydrophobicContact CG2-CE1 4.46Å; I281-Y283 HydrophobicContact CG2-CE2 3.77Å; I281-Y283 WeakPolarHBondContact O-CD2 3.31Å; Y283-E285 PolarHBondContact O-N 2.81Å
284E74.5Confident66.6Low201 Ų201149 Ų14994%0.93978%0.777SS**  trans-74116.8171.2-65.8-179.4161.100109.2
285E75.3Confident66.5Low180 Ų180150 Ų15084%0.84180%0.798SS**  trans-82.2120.8171.2-66.6-168.2157.200109.7Y283 V287Y283-E285 PolarHBondContact O-N 2.81Å; E285-V287 PolarHBondContact O-N 2.89Å
286A66.6Low67Low103 Ų103148.3 Ų148.385%0.85180%0.798SS**  trans-70.997178.800000110.9
287V72.1Confident67.1Low132 Ų132145.9 Ų145.980%0.880%0.796SS**  trans-62.6131.4173.3-80.30000111.3E285E285-V287 PolarHBondContact O-N 2.89Å
288P66.6Low67Low111 Ų111147.8 Ų147.872%0.72180%0.8SS**  trans-71.5141.4-179.729.2-34.7000111.8T290P288-T290 PolarHBondContact O-N 3.1Å
289S61.5Low67.4Low114 Ų114147.6 Ų147.680%0.79781%0.805SS**  trans-69112.3-179.146.10000112.4S291S289-S291 PolarHBondContact O-N 3Å; S289-S291 VanDerWaalsContact O-N 3.14Å
290T60.5Low66.9Low136 Ų136150.2 Ų150.283%0.83482%0.816SS**  trans-86.871.6175.943.90000111.7P288 R292P288-T290 PolarHBondContact O-N 3.1Å; T290-R292 PolarHBondContact O-N 3.17Å; T290-R292 VanDerWaalsContact O-N 3.15Å
291S62.3Low66.3Low105 Ų105151.1 Ų151.173%0.73483%0.828SS**  trans-62.1114.7166.638.30000110.1S289 V293S289-S291 PolarHBondContact O-N 3Å; S289-S291 VanDerWaalsContact O-N 3.14Å; S291-V293 PolarHBondContact O-N 2.74Å
292R54Low65.6Low228 Ų228153.9 Ų153.986%0.8685%0.845SS**  trans-59125.7172.5-84178.3165.3148.6-6.5110.1T290 T294T290-R292 PolarHBondContact O-N 3.17Å; T290-R292 VanDerWaalsContact O-N 3.15Å; R292-T294 HydrophobicContact CB-CG2 4.45Å
293V59.1Low64.6Low139 Ų139151.4 Ų151.484%0.84284%0.843SS**  trans-97120.3153.4179.20000106.6S291S291-V293 PolarHBondContact O-N 2.74Å
294T60.1Low63.5Low115 Ų115148 Ų14871%0.70685%0.851SS**  trans-133.493.4174.9480000109.7R292R292-T294 HydrophobicContact CB-CG2 4.45Å
295V49.8Very low62.5Low212 Ų212143.2 Ų143.2100%1.28584%0.843SS**  trans-137.50151.9-1780000105.5

Retrieved 295 of 295 residues in 257.4 ms (Link to these results)

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