A0A077ZL06_TRITR Loading...

MAP65 ASE1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZL06, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 447 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
1M68.7Low83.9Confident192 Ų192114.6 Ų114.695%0.94657%0.565SS**  0-74.90-148178.2-70.200110A3 E4 D5M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.09Å; M1-A3 VanDerWaalsContact O-N 3.13Å; M1-E4 WeakPolarHBondContact O-CA 3.4Å; M1-E4 WeakPolarHBondContact O-CB 3.28Å; M1-E4 PolarHBondContact O-N 2.98Å; M1-D5 PolarHBondContact O-N 3.5Å
2L79Confident84.2Confident119 Ų119107.3 Ų107.362%0.62354%0.536SS*.Hα-helixtrans-56.7-34.4-176.9-66.1173.8000117R6L2-R6 WeakPolarHBondContact O-CB 3.26Å; L2-R6 WeakPolarHBondContact O-CG 3.4Å; L2-R6 PolarHBondContact O-N 3.03Å; L2-R6 VanDerWaalsContact O-N 3.12Å; L2-R6 PolarHBondContact O-NE 3.35Å
3A82.1Confident84.6Confident76 Ų76105.6 Ų105.663%0.62853%0.529SS*.Hα-helixtrans-70.6-34.6176.100000112.2M1 R7M1-A3 VanDerWaalsContact C-N 3.35Å; M1-A3 PolarHBondContact O-N 3.09Å; M1-A3 VanDerWaalsContact O-N 3.13Å; A3-R7 WeakPolarHBondContact O-CB 3.48Å; A3-R7 PolarHBondContact O-N 3.11Å; A3-R7 VanDerWaalsContact O-N 3.14Å
4E84Confident85Confident96 Ų96107.6 Ų107.645%0.44954%0.536SS..Hα-helixtrans-71.2-44.9176.2-169.161.6-161.800110.1M1 R6 R7 L8M1-E4 WeakPolarHBondContact O-CA 3.4Å; M1-E4 WeakPolarHBondContact O-CB 3.28Å; M1-E4 PolarHBondContact O-N 2.98Å; E4-R6 VanDerWaalsContact C-N 3.34Å; E4-R6 PolarHBondContact O-N 3.05Å; E4-R7 WeakPolarHBondContact O-CB 3.46Å; E4-R7 PolarHBondContact O-N 2.93Å; E4-L8 HydrophobicContact CG-CD1 4.2Å; E4-L8 WeakPolarHBondContact O-CB 3.48Å; E4-L8 VanDerWaalsContact O-CG 3.31Å; E4-L8 WeakPolarHBondContact O-CG 3.03Å; E4-L8 PolarHBondContact O-N 2.9Å
5D84.1Confident85.4Confident82 Ų82102.7 Ų102.744%0.43952%0.516SS..Hα-helixtrans-62.7-39.6178.7-58.6-26.4000112.2M1 L8 L9M1-D5 PolarHBondContact O-N 3.5Å; D5-L8 PolarHBondContact O-N 3.34Å; D5-L9 WeakPolarHBondContact O-CB 3.23Å; D5-L9 PolarHBondContact O-N 2.85Å
6R84.6Confident85.7Confident153 Ų15397.6 Ų97.658%0.57749%0.492SS*.Hα-helixtrans-63.8-45174.1-84.1-174.1-86.8-112.14.2112.1L2 E4 L8 L9 E10L2-R6 WeakPolarHBondContact O-CB 3.26Å; L2-R6 WeakPolarHBondContact O-CG 3.4Å; L2-R6 PolarHBondContact O-N 3.03Å; L2-R6 VanDerWaalsContact O-N 3.12Å; L2-R6 PolarHBondContact O-NE 3.35Å; E4-R6 VanDerWaalsContact C-N 3.34Å; E4-R6 PolarHBondContact O-N 3.05Å; R6-L8 VanDerWaalsContact C-N 3.34Å; R6-L8 PolarHBondContact O-N 3.17Å; R6-L9 PolarHBondContact O-N 3.45Å; R6-E10 WeakPolarHBondContact O-CG 3.36Å; R6-E10 PolarHBondContact O-N 2.97Å
7R87.7Confident86Confident149 Ų149100.1 Ų100.156%0.56250%0.499SS*.Hα-helixtrans-61.7-43176-178-173.7171.2-179.2-1.6111.5A3 E4 L9 E10 L11A3-R7 WeakPolarHBondContact O-CB 3.48Å; A3-R7 PolarHBondContact O-N 3.11Å; A3-R7 VanDerWaalsContact O-N 3.14Å; E4-R7 WeakPolarHBondContact O-CB 3.46Å; E4-R7 PolarHBondContact O-N 2.93Å; R7-L9 VanDerWaalsContact C-N 3.34Å; R7-E10 PolarHBondContact O-N 3.14Å; R7-L11 HydrophobicContact CG-CD1 4.26Å; R7-L11 WeakPolarHBondContact O-CB 3.47Å; R7-L11 VanDerWaalsContact O-CG 3.29Å; R7-L11 WeakPolarHBondContact O-CG 3.37Å; R7-L11 PolarHBondContact O-N 3.37Å
8L87Confident86.4Confident92 Ų92101.7 Ų101.748%0.48250%0.502SS..Hα-helixtrans-62.6-41176.4-73.2170.7000111.7E4 D5 R6 L11 A12E4-L8 HydrophobicContact CG-CD1 4.2Å; E4-L8 WeakPolarHBondContact O-CB 3.48Å; E4-L8 VanDerWaalsContact O-CG 3.31Å; E4-L8 WeakPolarHBondContact O-CG 3.03Å; E4-L8 PolarHBondContact O-N 2.9Å; D5-L8 PolarHBondContact O-N 3.34Å; R6-L8 VanDerWaalsContact C-N 3.34Å; R6-L8 PolarHBondContact O-N 3.17Å; L8-L11 PolarHBondContact O-N 2.79Å; L8-A12 WeakPolarHBondContact O-CB 3.46Å; L8-A12 PolarHBondContact O-N 3.46Å
9L87Confident86.6Confident86 Ų8697.3 Ų97.345%0.4548%0.481SS..Hα-helixtrans-64.2-45175.8-178.465.3000112.1D5 R6 R7 A12 L13 V43D5-L9 WeakPolarHBondContact O-CB 3.23Å; D5-L9 PolarHBondContact O-N 2.85Å; R6-L9 PolarHBondContact O-N 3.45Å; R7-L9 VanDerWaalsContact C-N 3.34Å; L9-A12 PolarHBondContact O-N 2.98Å; L9-L13 HydrophobicContact CD1-CD1 4.44Å; L9-L13 HydrophobicContact CD1-CG 4.45Å; L9-L13 HydrophobicContact CG-CD1 4.18Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.12Å; L9-L13 PolarHBondContact O-N 3.34Å; L9-V43 HydrophobicContact CD1-CB 4.31Å; L9-V43 HydrophobicContact CD1-CG1 4.15Å; L9-V43 HydrophobicContact CD1-CG2 4.09Å
10E88.2Confident86.8Confident128 Ų12896.5 Ų96.560%0.59847%0.472SS*.Hα-helixtrans-59.9-46.6175.9-76.2173.3-17800111.4R6 R7 A12 L13 E14R6-E10 WeakPolarHBondContact O-CG 3.36Å; R6-E10 PolarHBondContact O-N 2.97Å; R7-E10 PolarHBondContact O-N 3.14Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-A12 PolarHBondContact O-N 2.92Å; E10-L13 PolarHBondContact O-N 3Å; E10-E14 PolarHBondContact O-N 3.16Å
11L90.5Very high87.1Confident88 Ų8898.5 Ų98.546%0.46148%0.478SS..Hα-helixtrans-61.2-40.3175.6-71.9173000112.4R7 L8 E14 S15R7-L11 HydrophobicContact CG-CD1 4.26Å; R7-L11 WeakPolarHBondContact O-CB 3.47Å; R7-L11 VanDerWaalsContact O-CG 3.29Å; R7-L11 WeakPolarHBondContact O-CG 3.37Å; R7-L11 PolarHBondContact O-N 3.37Å; L8-L11 PolarHBondContact O-N 2.79Å; L11-E14 PolarHBondContact O-N 2.84Å; L11-S15 WeakPolarHBondContact O-CB 3.28Å; L11-S15 PolarHBondContact O-N 3.21Å
12A87.2Confident88.2Confident26 Ų2692.8 Ų92.822%0.21545%0.449CS..Hα-helixtrans-66.8-43177.600000111.6L8 L9 E10 S15 V16 V43L8-A12 WeakPolarHBondContact O-CB 3.46Å; L8-A12 PolarHBondContact O-N 3.46Å; L9-A12 PolarHBondContact O-N 2.98Å; E10-A12 VanDerWaalsContact C-N 3.34Å; E10-A12 PolarHBondContact O-N 2.92Å; A12-S15 WeakPolarHBondContact O-CB 3.47Å; A12-S15 PolarHBondContact O-N 3.04Å; A12-V16 WeakPolarHBondContact O-CB 3.4Å; A12-V16 VanDerWaalsContact O-CG2 3.26Å; A12-V16 WeakPolarHBondContact O-CG2 3.19Å; A12-V16 PolarHBondContact O-N 3.21Å; A12-V43 HydrophobicContact CB-CG1 3.76Å
13L89.2Confident88.9Confident86 Ų8687.2 Ų87.245%0.4542%0.42SS..Hα-helixtrans-64.6-39.8176-72.6172.4000112.2L9 E10 V16 K17 V43L9-L13 HydrophobicContact CD1-CD1 4.44Å; L9-L13 HydrophobicContact CD1-CG 4.45Å; L9-L13 HydrophobicContact CG-CD1 4.18Å; L9-L13 WeakPolarHBondContact O-CB 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.12Å; L9-L13 PolarHBondContact O-N 3.34Å; E10-L13 PolarHBondContact O-N 3Å; L13-V16 PolarHBondContact O-N 3.24Å; L13-K17 WeakPolarHBondContact O-CB 3.4Å; L13-K17 PolarHBondContact O-N 2.63Å; L13-V43 HydrophobicContact CD2-CG1 3.89Å; L13-V43 HydrophobicContact CD2-CG2 3.8Å; L13-V43 HydrophobicContact CG-CG1 4.14Å
14E91.1Very high89.3Confident133 Ų13387.1 Ų87.162%0.62141%0.407SS*.Hα-helixtrans-64.2-44172.8-78.1-178.1173.500112E10 L11 K17 K18E10-E14 PolarHBondContact O-N 3.16Å; L11-E14 PolarHBondContact O-N 2.84Å; E14-K17 PolarHBondContact O-N 3.01Å; E14-K18 WeakPolarHBondContact O-CB 3.5Å; E14-K18 PolarHBondContact O-N 3.01Å
15S90.9Very high89.7Confident34 Ų3484.5 Ų84.524%0.23841%0.405CS..Hα-helixtrans-58.1-48.4174.4-175.70000111.1L11 A12 K17 K18 N19 E47L11-S15 WeakPolarHBondContact O-CB 3.28Å; L11-S15 PolarHBondContact O-N 3.21Å; A12-S15 WeakPolarHBondContact O-CB 3.47Å; A12-S15 PolarHBondContact O-N 3.04Å; S15-K17 PolarHBondContact O-N 3.01Å; S15-K18 PolarHBondContact O-N 3.35Å; S15-N19 VanDerWaalsContact O-CB 3.3Å; S15-N19 WeakPolarHBondContact O-CB 3.31Å; S15-N19 PolarHBondContact O-N 3.11Å; S15-N19 PolarHBondContact O-ND2 3.43Å; S15-N19 PolarHBondContact OG-ND2 3.4Å; S15-E47 PolarHBondContact OG-OE1 3.47Å
16V90.2Very high90.1Very high22 Ų2281.4 Ų81.413%0.13339%0.389CS..Hα-helixtrans-58.3-48.3176.4168.60000110.9A12 L13 K18 R20 A46 E47 Y50A12-V16 WeakPolarHBondContact O-CB 3.4Å; A12-V16 VanDerWaalsContact O-CG2 3.26Å; A12-V16 WeakPolarHBondContact O-CG2 3.19Å; A12-V16 PolarHBondContact O-N 3.21Å; L13-V16 PolarHBondContact O-N 3.24Å; V16-K18 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 2.9Å; V16-R20 WeakPolarHBondContact O-CB 3.46Å; V16-R20 PolarHBondContact O-N 3.47Å; V16-A46 HydrophobicContact CG1-CB 4.29Å; V16-A46 HydrophobicContact CG2-CB 4.14Å; V16-E47 HydrophobicContact CG2-CB 3.74Å; V16-E47 HydrophobicContact CG2-CG 4.27Å; V16-Y50 HydrophobicContact CG1-CD2 3.97Å; V16-Y50 HydrophobicContact CG1-CE2 4.04Å
17K90.1Very high90.5Very high140 Ų14074.8 Ų74.861%0.60936%0.364SS*.Hα-helixtrans-62.9-40.5-179.7-173.5179.1-178.91800112.1L13 E14 S15 K21L13-K17 WeakPolarHBondContact O-CB 3.4Å; L13-K17 PolarHBondContact O-N 2.63Å; E14-K17 PolarHBondContact O-N 3.01Å; S15-K17 PolarHBondContact O-N 3.01Å; K17-K21 WeakPolarHBondContact O-CG 3.49Å; K17-K21 PolarHBondContact O-N 2.94Å
18K92.8Very high90.5Very high129 Ų12974.1 Ų74.156%0.56137%0.367SS*.Hα-helixtrans-67.1-54.8176.7-179.1-176.4172.5-175.60111.1E14 S15 V16 R20 K21 E22E14-K18 WeakPolarHBondContact O-CB 3.5Å; E14-K18 PolarHBondContact O-N 3.01Å; S15-K18 PolarHBondContact O-N 3.35Å; V16-K18 VanDerWaalsContact C-N 3.35Å; V16-K18 PolarHBondContact O-N 2.9Å; K18-R20 VanDerWaalsContact C-N 3.28Å; K18-R20 PolarHBondContact O-N 2.83Å; K18-K21 PolarHBondContact O-N 2.74Å; K18-E22 WeakPolarHBondContact CE-OE1 3.39Å; K18-E22 PolarHBondContact O-N 2.98Å
19N91.4Very high90.7Very high17 Ų1773.4 Ų73.49%0.09136%0.362CS..Hα-helixtrans-61.3-38.2-178.6-66.7-15.6000111.1S15 E22 V23 L54S15-N19 VanDerWaalsContact O-CB 3.3Å; S15-N19 WeakPolarHBondContact O-CB 3.31Å; S15-N19 PolarHBondContact O-N 3.11Å; S15-N19 PolarHBondContact O-ND2 3.43Å; S15-N19 PolarHBondContact OG-ND2 3.4Å; N19-E22 PolarHBondContact O-N 2.94Å; N19-V23 VanDerWaalsContact O-CB 3.29Å; N19-V23 WeakPolarHBondContact O-CB 3.47Å; N19-V23 WeakPolarHBondContact O-CG2 3.32Å; N19-V23 PolarHBondContact O-N 3.45Å; N19-L54 HydrophobicContact CB-CD2 4.39Å
20R90.5Very high90.8Very high82 Ų8269.4 Ų69.431%0.30934%0.341SS..Hα-helixtrans-57.6-49.7174.5177.8176.8174.3169.42.7111.9V16 K18 V23 E24 D39 Y50V16-R20 WeakPolarHBondContact O-CB 3.46Å; V16-R20 PolarHBondContact O-N 3.47Å; K18-R20 VanDerWaalsContact C-N 3.28Å; K18-R20 PolarHBondContact O-N 2.83Å; R20-V23 PolarHBondContact O-N 2.82Å; R20-E24 HydrophobicContact CG-CG 4.47Å; R20-E24 WeakPolarHBondContact CG-OE1 3.4Å; R20-E24 IonicContact CZ-OE1 2.9Å; R20-E24 IonicContact NE-OE1 3.49Å; R20-E24 PolarHBondContact NE-OE1 3.45Å; R20-E24 IonicContact NH2-OE1 3.71Å; R20-E24 WeakPolarHBondContact O-CB 3.08Å; R20-E24 WeakPolarHBondContact O-CG 3.33Å; R20-E24 PolarHBondContact O-N 3.17Å; R20-D39 IonicContact NH1-OD1 3.82Å; R20-Y50 HydrophobicContact CB-CD1 4.15Å; R20-Y50 HydrophobicContact CB-CD2 4.4Å; R20-Y50 HydrophobicContact CB-CE1 3.96Å; R20-Y50 HydrophobicContact CB-CE2 4.25Å; R20-Y50 HydrophobicContact CB-CG 4.38Å; R20-Y50 HydrophobicContact CG-CE1 3.9Å
21K92Very high90.8Very high139 Ų13970.3 Ų70.360%0.60435%0.345SS*.Hα-helixtrans-62.2-43.4178.1-74.4-175.7175.8-168.20112.4K17 K18 E24 G25K17-K21 WeakPolarHBondContact O-CG 3.49Å; K17-K21 PolarHBondContact O-N 2.94Å; K18-K21 PolarHBondContact O-N 2.74Å; K21-E24 PolarHBondContact O-N 3.27Å; K21-G25 PolarHBondContact O-N 2.82Å
22E92.9Very high90.6Very high72 Ų7268.4 Ų68.434%0.33633%0.334SS..Hα-helixtrans-65.9-39.8177.8-69.8-175-157.900112K18 N19 G25 L26 L54K18-E22 WeakPolarHBondContact CE-OE1 3.39Å; K18-E22 PolarHBondContact O-N 2.98Å; N19-E22 PolarHBondContact O-N 2.94Å; E22-G25 PolarHBondContact O-N 3.1Å; E22-L26 WeakPolarHBondContact O-CB 3.48Å; E22-L26 WeakPolarHBondContact O-CG 3.48Å; E22-L26 PolarHBondContact O-N 3.15Å; E22-L54 HydrophobicContact CB-CD1 3.66Å; E22-L54 HydrophobicContact CB-CD2 4.44Å; E22-L54 WeakPolarHBondContact OE2-CD2 3.46Å
23V93Very high90.5Very high2 Ų273.7 Ų73.71%0.01235%0.353CS..Hα-helixtrans-63.5-50.3174.3167.70000110.4N19 R20 G25 L26 Q27 Y50 A53 L54 L57N19-V23 VanDerWaalsContact O-CB 3.29Å; N19-V23 WeakPolarHBondContact O-CB 3.47Å; N19-V23 WeakPolarHBondContact O-CG2 3.32Å; N19-V23 PolarHBondContact O-N 3.45Å; R20-V23 PolarHBondContact O-N 2.82Å; V23-G25 VanDerWaalsContact C-N 3.29Å; V23-G25 PolarHBondContact O-N 3.33Å; V23-L26 PolarHBondContact O-N 2.66Å; V23-Q27 HydrophobicContact CG1-CG 3.97Å; V23-Q27 VanDerWaalsContact CG1-OE1 3.26Å; V23-Q27 WeakPolarHBondContact O-CB 3.26Å; V23-Q27 VanDerWaalsContact O-CG 3.23Å; V23-Q27 WeakPolarHBondContact O-CG 3.5Å; V23-Q27 PolarHBondContact O-N 3.48Å; V23-Y50 HydrophobicContact CB-CD1 4.37Å; V23-Y50 HydrophobicContact CG1-CD1 4.43Å; V23-Y50 HydrophobicContact CG2-CD1 4.38Å; V23-A53 HydrophobicContact CG1-CB 4.42Å; V23-A53 HydrophobicContact CG2-CB 4.27Å; V23-L54 HydrophobicContact CG2-CB 3.74Å; V23-L54 HydrophobicContact CG2-CD1 4.29Å; V23-L57 HydrophobicContact CB-CD1 4.35Å; V23-L57 HydrophobicContact CG1-CD1 3.88Å; V23-L57 HydrophobicContact CG2-CD1 4.35Å
24E91.3Very high90.2Very high73 Ų7373.1 Ų73.134%0.34135%0.35SS..Hα-helixtrans-55.8-44.7177.7-74.6169.8-177.400111.2R20 K21 H28R20-E24 HydrophobicContact CG-CG 4.47Å; R20-E24 WeakPolarHBondContact CG-OE1 3.4Å; R20-E24 IonicContact CZ-OE1 2.9Å; R20-E24 IonicContact NE-OE1 3.49Å; R20-E24 PolarHBondContact NE-OE1 3.45Å; R20-E24 IonicContact NH2-OE1 3.71Å; R20-E24 WeakPolarHBondContact O-CB 3.08Å; R20-E24 WeakPolarHBondContact O-CG 3.33Å; R20-E24 PolarHBondContact O-N 3.17Å; K21-E24 PolarHBondContact O-N 3.27Å; E24-H28 PolarHBondContact O-CD2 3.12Å; E24-H28 VanDerWaalsContact O-CD2 3.27Å; E24-H28 PolarHBondContact O-N 3.4Å
25G92Very high89.8Confident41 Ų4167.6 Ų67.642%0.42332%0.324SS..Hα-helixtrans-60.5-50.4175.100000113.4K21 E22 V23 H28 E29K21-G25 PolarHBondContact O-N 2.82Å; E22-G25 PolarHBondContact O-N 3.1Å; V23-G25 VanDerWaalsContact C-N 3.29Å; V23-G25 PolarHBondContact O-N 3.33Å; G25-H28 PolarHBondContact O-N 3.26Å; G25-E29 WeakPolarHBondContact O-CB 3.25Å; G25-E29 PolarHBondContact O-N 3.38Å
26L92.1Very high89.2Confident17 Ų1774.7 Ų74.79%0.08935%0.351CS..Hα-helixtrans-69.4-32.6-179.9-73169.4000113.3E22 V23 H28 E29 L30 L54 L57 Q58 K61E22-L26 WeakPolarHBondContact O-CB 3.48Å; E22-L26 WeakPolarHBondContact O-CG 3.48Å; E22-L26 PolarHBondContact O-N 3.15Å; V23-L26 PolarHBondContact O-N 2.66Å; L26-H28 VanDerWaalsContact C-N 3.33Å; L26-E29 WeakPolarHBondContact CD2-OE2 3.34Å; L26-E29 PolarHBondContact O-N 3.43Å; L26-L30 VanDerWaalsContact O-CB 3.28Å; L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 2.98Å; L26-L54 HydrophobicContact CD1-CD1 3.59Å; L26-L57 HydrophobicContact CB-CB 3.87Å; L26-L57 HydrophobicContact CB-CD1 4.08Å; L26-L57 HydrophobicContact CB-CD2 4.46Å; L26-L57 HydrophobicContact CB-CG 4.36Å; L26-L57 HydrophobicContact CD1-CB 3.91Å; L26-L57 HydrophobicContact CG-CB 4.49Å; L26-Q58 HydrophobicContact CD1-CG 3.7Å; L26-K61 HydrophobicContact CD2-CD 3.66Å
27Q92.5Very high88.3Confident14 Ų1477.6 Ų77.67%0.06537%0.37CS..Hα-helixtrans-64.4-40.6176.1-73-169-17400110.8V23 Q31 M32 F33 I35 L57V23-Q27 HydrophobicContact CG1-CG 3.97Å; V23-Q27 VanDerWaalsContact CG1-OE1 3.26Å; V23-Q27 WeakPolarHBondContact O-CB 3.26Å; V23-Q27 VanDerWaalsContact O-CG 3.23Å; V23-Q27 WeakPolarHBondContact O-CG 3.5Å; V23-Q27 PolarHBondContact O-N 3.48Å; Q27-Q31 WeakPolarHBondContact O-CA 3.5Å; Q27-Q31 PolarHBondContact O-N 3.34Å; Q27-Q31 VanDerWaalsContact O-N 3.12Å; Q27-M32 WeakPolarHBondContact CA-O 3.36Å; Q27-M32 WeakPolarHBondContact CB-O 3.32Å; Q27-M32 VanDerWaalsContact CG-O 3.23Å; Q27-M32 WeakPolarHBondContact CG-O 3.29Å; Q27-M32 PolarHBondContact O-N 3.14Å; Q27-F33 HydrophobicContact CB-CD1 4.07Å; Q27-F33 HydrophobicContact CB-CE1 4.35Å; Q27-I35 PolarHBondContact NE2-O 2.85Å; Q27-I35 PolarHBondContact OE1-O 2.88Å; Q27-L57 HydrophobicContact CG-CD1 3.6Å; Q27-L57 HydrophobicContact CG-CD2 4.11Å
28H88.8Confident87.6Confident135 Ų13574.4 Ų74.463%0.62536%0.36SS*.Hα-helixtrans-69.5-45.8174-83.3-68.4000112.3E24 G25 L26 L30 Q31E24-H28 PolarHBondContact O-CD2 3.12Å; E24-H28 VanDerWaalsContact O-CD2 3.27Å; E24-H28 PolarHBondContact O-N 3.4Å; G25-H28 PolarHBondContact O-N 3.26Å; L26-H28 VanDerWaalsContact C-N 3.33Å; H28-L30 PolarHBondContact O-N 3.14Å; H28-Q31 PolarHBondContact O-N 3.33Å
29E90.8Very high86.4Confident78 Ų7874.6 Ų74.636%0.36437%0.367SS..Hα-helixtrans-60.9-44.3179.6-175.6179.8-16500112.3G25 L26 K61 V94G25-E29 WeakPolarHBondContact O-CB 3.25Å; G25-E29 PolarHBondContact O-N 3.38Å; L26-E29 WeakPolarHBondContact CD2-OE2 3.34Å; L26-E29 PolarHBondContact O-N 3.43Å; E29-K61 WeakPolarHBondContact OE1-CE 3.49Å; E29-K61 IonicContact OE1-NZ 3.68Å; E29-K61 PolarHBondContact OE1-NZ 3.02Å; E29-K61 IonicContact OE2-NZ 2.66Å; E29-K61 PolarHBondContact OE2-NZ 2.93Å; E29-V94 HydrophobicContact CG-CB 4.12Å; E29-V94 HydrophobicContact CG-CG2 4Å; E29-V94 WeakPolarHBondContact OE1-CG2 3.36Å
30L90.2Very high85.7Confident2 Ų280.8 Ų80.81%0.0140%0.4CS..Hα-helixtrans-88-6.7-177-63.5171.6000114.1L26 H28 M32 L57 E60 K61 R64 V94L26-L30 VanDerWaalsContact O-CB 3.28Å; L26-L30 WeakPolarHBondContact O-CB 3.29Å; L26-L30 WeakPolarHBondContact O-CG 3.38Å; L26-L30 PolarHBondContact O-N 2.98Å; H28-L30 PolarHBondContact O-N 3.14Å; L30-M32 HydrophobicContact CB-CB 4.12Å; L30-M32 HydrophobicContact CD1-CE 4.4Å; L30-M32 PolarHBondContact O-N 2.8Å; L30-L57 HydrophobicContact CD1-CB 4.12Å; L30-L57 HydrophobicContact CD1-CD2 3.82Å; L30-L57 VanDerWaalsContact CD1-O 3.25Å; L30-L57 WeakPolarHBondContact CD1-O 3.24Å; L30-E60 HydrophobicContact CD1-CB 4.34Å; L30-E60 HydrophobicContact CD1-CG 4.47Å; L30-K61 HydrophobicContact CD1-CB 4.15Å; L30-K61 HydrophobicContact CD2-CB 3.94Å; L30-K61 HydrophobicContact CD2-CG 4.43Å; L30-R64 PolarHBondContact O-NH1 3.38Å; L30-R64 PolarHBondContact O-NH2 3.01Å; L30-V94 HydrophobicContact CD2-CB 4.39Å; L30-V94 HydrophobicContact CD2-CG1 3.56Å
31Q87Confident85.2Confident147 Ų14779.4 Ų79.469%0.68740%0.398SS*.THydrogen-bonded Turntrans50.940.4-167.8-57.91790.500112.1Q27 H28Q27-Q31 WeakPolarHBondContact O-CA 3.5Å; Q27-Q31 PolarHBondContact O-N 3.34Å; Q27-Q31 VanDerWaalsContact O-N 3.12Å; H28-Q31 PolarHBondContact O-N 3.33Å
32M86.1Confident84.9Confident47 Ų4775.7 Ų75.723%0.23239%0.39CS..  trans-128.8104-176.3-175.1171.667.200110.3Q27 L30 L34 L57 E60Q27-M32 WeakPolarHBondContact CA-O 3.36Å; Q27-M32 WeakPolarHBondContact CB-O 3.32Å; Q27-M32 VanDerWaalsContact CG-O 3.23Å; Q27-M32 WeakPolarHBondContact CG-O 3.29Å; Q27-M32 PolarHBondContact O-N 3.14Å; L30-M32 HydrophobicContact CB-CB 4.12Å; L30-M32 HydrophobicContact CD1-CE 4.4Å; L30-M32 PolarHBondContact O-N 2.8Å; M32-L34 HydrophobicContact CE-CD1 4.26Å; M32-L34 HydrophobicContact CE-CG 4.46Å; M32-L34 HydrophobicContact CG-CD2 4.01Å; M32-L34 HydrophobicContact CG-CG 4.32Å; M32-L34 HydrophobicContact SD-CD2 4.28Å; M32-L57 HydrophobicContact CB-CD2 4.23Å; M32-L57 HydrophobicContact CE-CD2 3.41Å; M32-L57 VanDerWaalsContact CE-CD2 3.41Å; M32-L57 HydrophobicContact CE-CG 4.19Å; M32-L57 HydrophobicContact CG-CD2 4.45Å; M32-L57 WeakPolarHBondContact O-CD2 3.38Å; M32-E60 HydrophobicContact CE-CB 3.7Å; M32-E60 HydrophobicContact CE-CG 3.74Å; M32-E60 HydrophobicContact SD-CG 4.24Å
33F85Confident84.6Confident137 Ų13774.3 Ų74.360%0.60139%0.386SS*.  trans-97.3100.1-174.7-60.2-87.5000111.4Q27Q27-F33 HydrophobicContact CB-CD1 4.07Å; Q27-F33 HydrophobicContact CB-CE1 4.35Å
34L82.7Confident84.2Confident74 Ų7480.1 Ų80.139%0.38742%0.416SS..  trans-92.2-34-176.8-62.6-175.1000113.6M32 A53 K56 L57M32-L34 HydrophobicContact CE-CD1 4.26Å; M32-L34 HydrophobicContact CE-CG 4.46Å; M32-L34 HydrophobicContact CG-CD2 4.01Å; M32-L34 HydrophobicContact CG-CG 4.32Å; M32-L34 HydrophobicContact SD-CD2 4.28Å; L34-A53 HydrophobicContact CB-CB 4.32Å; L34-A53 HydrophobicContact CD1-CB 4.34Å; L34-K56 HydrophobicContact CD1-CB 3.66Å; L34-K56 HydrophobicContact CD1-CD 4.1Å; L34-L57 HydrophobicContact CD1-CD1 4.49Å; L34-L57 HydrophobicContact CD1-CD2 4.25Å; L34-L57 HydrophobicContact CD1-CG 3.9Å; L34-L57 HydrophobicContact CG-CD2 4.39Å; L34-L57 HydrophobicContact CG-CG 4.46Å
35I83.7Confident84.1Confident18 Ų1880.6 Ų80.69%0.09242%0.421CS..  trans-127.4140.9-177.9-61.4173.3000109.2Q27 Q49 Y50 A53Q27-I35 PolarHBondContact NE2-O 2.85Å; Q27-I35 PolarHBondContact OE1-O 2.88Å; I35-Q49 HydrophobicContact CD1-CB 4.29Å; I35-Q49 HydrophobicContact CD1-CG 3.62Å; I35-Q49 VanDerWaalsContact CD1-O 3.25Å; I35-Q49 WeakPolarHBondContact CD1-O 3.48Å; I35-Q49 HydrophobicContact CG1-CG 4.15Å; I35-Y50 HydrophobicContact CD1-CD1 4.2Å; I35-Y50 HydrophobicContact CG2-CE1 4.21Å; I35-A53 HydrophobicContact CD1-CB 3.14Å; I35-A53 HydrophobicContact CG1-CB 3.73Å
36K77.9Confident83.9Confident183 Ų18379.2 Ų79.280%0.79641%0.405SS*.  trans-95.9137.8164.1-66.4-175.4179.9-178.80108.8N38K36-N38 PolarHBondContact O-N 3.18Å
37P71.5Confident83.8Confident82 Ų8280.6 Ų80.653%0.53241%0.411SS..  trans-54.7116.4174.9-20.130.1000109.6
38N75Confident83.7Confident73 Ų7384.3 Ų84.339%0.3943%0.429SS..  trans-125.9109.1177.3-173.35.3000109K36 N40 L41K36-N38 PolarHBondContact O-N 3.18Å; N38-N40 PolarHBondContact O-N 3.46Å; N38-N40 WeakPolarHBondContact OD1-CB 3.47Å; N38-N40 PolarHBondContact OD1-N 3.01Å; N38-L41 HydrophobicContact CB-CD1 4.08Å; N38-L41 HydrophobicContact CB-CG 4.42Å
39D68.6Low83.8Confident133 Ų13381.3 Ų81.371%0.71142%0.415SS*.THydrogen-bonded Turntrans-78.7-3.2-177.2-62-32.2000112.6R20R20-D39 IonicContact NH1-OD1 3.82Å
40N76.7Confident83.8Confident148 Ų14878.1 Ų78.179%0.79140%0.4SS*.THydrogen-bonded Turntrans-93.13.9-177.6-61.9-21.7000114.3N38N38-N40 PolarHBondContact O-N 3.46Å; N38-N40 WeakPolarHBondContact OD1-CB 3.47Å; N38-N40 PolarHBondContact OD1-N 3.01Å
41L78.5Confident83.9Confident52 Ų5283.1 Ų83.127%0.27242%0.418SS..SBendtrans-81.7142.4-179.9-72.3162.9000111N38 D45 A46N38-L41 HydrophobicContact CB-CD1 4.08Å; N38-L41 HydrophobicContact CB-CG 4.42Å; L41-D45 HydrophobicContact CB-CB 4.43Å; L41-D45 HydrophobicContact CD2-CB 4.11Å; L41-A46 HydrophobicContact CB-CB 4.04Å
42S86.1Confident84.1Confident61 Ų6179.2 Ų79.243%0.42740%0.402SS..  trans-55.2148.2166.5178.30000109.5I44 D45 A46S42-I44 PolarHBondContact O-N 3.46Å; S42-I44 VanDerWaalsContact O-N 3.14Å; S42-D45 VanDerWaalsContact CB-OD2 3.3Å; S42-D45 WeakPolarHBondContact CB-OD2 3.4Å; S42-D45 PolarHBondContact O-N 3.36Å; S42-A46 WeakPolarHBondContact O-CB 3.38Å; S42-A46 PolarHBondContact O-N 2.9Å
43V86.1Confident84.5Confident43 Ų4377.2 Ų77.226%0.26139%0.393SS..Hα-helixtrans-54.8-37.1179.6179.60000111.4L9 A12 L13 E47L9-V43 HydrophobicContact CD1-CB 4.31Å; L9-V43 HydrophobicContact CD1-CG1 4.15Å; L9-V43 HydrophobicContact CD1-CG2 4.09Å; A12-V43 HydrophobicContact CB-CG1 3.76Å; L13-V43 HydrophobicContact CD2-CG1 3.89Å; L13-V43 HydrophobicContact CD2-CG2 3.8Å; L13-V43 HydrophobicContact CG-CG1 4.14Å; V43-E47 WeakPolarHBondContact O-CB 3.48Å; V43-E47 PolarHBondContact O-N 3.19Å
44I85.3Confident84.8Confident125 Ų12571.4 Ų71.464%0.64137%0.368SS*.Hα-helixtrans-66.6-49.1176.9-60.1174.7000110.6S42 A46 E47 E48S42-I44 PolarHBondContact O-N 3.46Å; S42-I44 VanDerWaalsContact O-N 3.14Å; I44-A46 VanDerWaalsContact C-N 3.33Å; I44-A46 PolarHBondContact O-N 3.3Å; I44-E47 PolarHBondContact O-N 3.31Å; I44-E48 PolarHBondContact O-N 3.28Å
45D89Confident85.4Confident83 Ų8369.6 Ų69.644%0.44436%0.362SS..Hα-helixtrans-64.9-38.7-179.6-60.7-29.6000111.4L41 S42 Q49L41-D45 HydrophobicContact CB-CB 4.43Å; L41-D45 HydrophobicContact CD2-CB 4.11Å; S42-D45 VanDerWaalsContact CB-OD2 3.3Å; S42-D45 WeakPolarHBondContact CB-OD2 3.4Å; S42-D45 PolarHBondContact O-N 3.36Å; D45-Q49 VanDerWaalsContact O-CB 3.25Å; D45-Q49 WeakPolarHBondContact O-CB 3.41Å; D45-Q49 PolarHBondContact O-N 2.98Å
46A89Confident85.8Confident11 Ų1174.8 Ų74.89%0.09138%0.383CS..Hα-helixtrans-64-45.1175.900000111.1V16 L41 S42 I44 Q49 Y50V16-A46 HydrophobicContact CG1-CB 4.29Å; V16-A46 HydrophobicContact CG2-CB 4.14Å; L41-A46 HydrophobicContact CB-CB 4.04Å; S42-A46 WeakPolarHBondContact O-CB 3.38Å; S42-A46 PolarHBondContact O-N 2.9Å; I44-A46 VanDerWaalsContact C-N 3.33Å; I44-A46 PolarHBondContact O-N 3.3Å; A46-Q49 PolarHBondContact O-N 3.39Å; A46-Y50 HydrophobicContact CB-CD2 4.5Å; A46-Y50 HydrophobicContact CB-CE2 4.44Å; A46-Y50 WeakPolarHBondContact O-CD2 3.46Å; A46-Y50 PolarHBondContact O-N 3.13Å
47E88.8Confident86.6Confident46 Ų4666 Ų6622%0.21535%0.345CS..Hα-helixtrans-58-51.4176.5-163.4-71151.500110.3S15 V16 V43 I44 Q49 Y50 R51S15-E47 PolarHBondContact OG-OE1 3.47Å; V16-E47 HydrophobicContact CG2-CB 3.74Å; V16-E47 HydrophobicContact CG2-CG 4.27Å; V43-E47 WeakPolarHBondContact O-CB 3.48Å; V43-E47 PolarHBondContact O-N 3.19Å; I44-E47 PolarHBondContact O-N 3.31Å; E47-Q49 VanDerWaalsContact C-N 3.33Å; E47-Q49 PolarHBondContact O-N 2.96Å; E47-Y50 PolarHBondContact O-N 2.96Å; E47-R51 WeakPolarHBondContact O-CB 3.48Å; E47-R51 PolarHBondContact O-N 3.2Å; E47-R51 IonicContact OE2-NE 2.66Å; E47-R51 PolarHBondContact OE2-NE 3.4Å
48E90.2Very high87.7Confident93 Ų9365.2 Ų65.244%0.43534%0.335SS..Hα-helixtrans-61.5-42.9-179.4176.6166.1-156.900111.6I44 N52I44-E48 PolarHBondContact O-N 3.28Å; E48-N52 WeakPolarHBondContact CG-ND2 3.18Å; E48-N52 VanDerWaalsContact O-CB 3.26Å; E48-N52 WeakPolarHBondContact O-CB 3.37Å; E48-N52 PolarHBondContact O-N 3.43Å; E48-N52 PolarHBondContact O-ND2 3.08Å
49Q91.4Very high88.6Confident72 Ų7269 Ų6934%0.33634%0.343SS..Hα-helixtrans-62.1-54.2179.8-155.8-168.643.500111I35 D45 A46 E47 R51 N52 A53I35-Q49 HydrophobicContact CD1-CB 4.29Å; I35-Q49 HydrophobicContact CD1-CG 3.62Å; I35-Q49 VanDerWaalsContact CD1-O 3.25Å; I35-Q49 WeakPolarHBondContact CD1-O 3.48Å; I35-Q49 HydrophobicContact CG1-CG 4.15Å; D45-Q49 VanDerWaalsContact O-CB 3.25Å; D45-Q49 WeakPolarHBondContact O-CB 3.41Å; D45-Q49 PolarHBondContact O-N 2.98Å; A46-Q49 PolarHBondContact O-N 3.39Å; E47-Q49 VanDerWaalsContact C-N 3.33Å; E47-Q49 PolarHBondContact O-N 2.96Å; Q49-R51 PolarHBondContact O-N 2.93Å; Q49-N52 PolarHBondContact O-N 3.44Å; Q49-A53 PolarHBondContact O-N 3.16Å
50Y91.6Very high89.8Confident11 Ų1164.2 Ų64.24%0.04332%0.317CS..Hα-helixtrans-65-37.8-179.7-71.4-64000112V16 R20 V23 I35 A46 E47 A53 L54V16-Y50 HydrophobicContact CG1-CD2 3.97Å; V16-Y50 HydrophobicContact CG1-CE2 4.04Å; R20-Y50 HydrophobicContact CB-CD1 4.15Å; R20-Y50 HydrophobicContact CB-CD2 4.4Å; R20-Y50 HydrophobicContact CB-CE1 3.96Å; R20-Y50 HydrophobicContact CB-CE2 4.25Å; R20-Y50 HydrophobicContact CB-CG 4.38Å; R20-Y50 HydrophobicContact CG-CE1 3.9Å; V23-Y50 HydrophobicContact CB-CD1 4.37Å; V23-Y50 HydrophobicContact CG1-CD1 4.43Å; V23-Y50 HydrophobicContact CG2-CD1 4.38Å; I35-Y50 HydrophobicContact CD1-CD1 4.2Å; I35-Y50 HydrophobicContact CG2-CE1 4.21Å; A46-Y50 HydrophobicContact CB-CD2 4.5Å; A46-Y50 HydrophobicContact CB-CE2 4.44Å; A46-Y50 WeakPolarHBondContact O-CD2 3.46Å; A46-Y50 PolarHBondContact O-N 3.13Å; E47-Y50 PolarHBondContact O-N 2.96Å; Y50-A53 PolarHBondContact O-N 3.33Å; Y50-L54 WeakPolarHBondContact O-CB 3.37Å; Y50-L54 PolarHBondContact O-N 2.98Å
51R91.1Very high90.6Very high107 Ų10760 Ų6040%0.40429%0.291SS..Hα-helixtrans-62.2-45175.5-175.9-1795968.73111.7E47 Q49 C55E47-R51 WeakPolarHBondContact O-CB 3.48Å; E47-R51 PolarHBondContact O-N 3.2Å; E47-R51 IonicContact OE2-NE 2.66Å; E47-R51 PolarHBondContact OE2-NE 3.4Å; Q49-R51 PolarHBondContact O-N 2.93Å; R51-C55 WeakPolarHBondContact O-CB 3.33Å; R51-C55 PolarHBondContact O-N 3.19Å
52N92.5Very high91.4Very high64 Ų6463.5 Ų63.534%0.34230%0.301SS..Hα-helixtrans-67.1-41.5178.9-74.8-25.7000112.1E48 Q49 C55 K56E48-N52 WeakPolarHBondContact CG-ND2 3.18Å; E48-N52 VanDerWaalsContact O-CB 3.26Å; E48-N52 WeakPolarHBondContact O-CB 3.37Å; E48-N52 PolarHBondContact O-N 3.43Å; E48-N52 PolarHBondContact O-ND2 3.08Å; Q49-N52 PolarHBondContact O-N 3.44Å; N52-C55 PolarHBondContact O-N 2.87Å; N52-K56 WeakPolarHBondContact O-CG 3.37Å; N52-K56 PolarHBondContact O-N 3.49Å; N52-K56 VanDerWaalsContact O-N 3.09Å
53A92.9Very high91.8Very high5 Ų566 Ų664%0.04130%0.301CS..Hα-helixtrans-68.7-41.5175.500000113V23 L34 I35 Q49 Y50 C55 K56 L57V23-A53 HydrophobicContact CG1-CB 4.42Å; V23-A53 HydrophobicContact CG2-CB 4.27Å; L34-A53 HydrophobicContact CB-CB 4.32Å; L34-A53 HydrophobicContact CD1-CB 4.34Å; I35-A53 HydrophobicContact CD1-CB 3.14Å; I35-A53 HydrophobicContact CG1-CB 3.73Å; Q49-A53 PolarHBondContact O-N 3.16Å; Y50-A53 PolarHBondContact O-N 3.33Å; A53-C55 VanDerWaalsContact C-N 3.26Å; A53-C55 PolarHBondContact O-N 3.3Å; A53-K56 PolarHBondContact O-N 2.92Å; A53-K56 VanDerWaalsContact O-N 3.09Å; A53-L57 WeakPolarHBondContact O-CB 3.19Å; A53-L57 WeakPolarHBondContact O-CG 3.45Å; A53-L57 PolarHBondContact O-N 3.46Å
54L92.9Very high92.2Very high15 Ų1564.4 Ų64.48%0.07929%0.29CS..Hα-helixtrans-55.7-47174.4-177.859.3000110.2N19 E22 V23 L26 Y50 K56 L57 Q58N19-L54 HydrophobicContact CB-CD2 4.39Å; E22-L54 HydrophobicContact CB-CD1 3.66Å; E22-L54 HydrophobicContact CB-CD2 4.44Å; E22-L54 WeakPolarHBondContact OE2-CD2 3.46Å; V23-L54 HydrophobicContact CG2-CB 3.74Å; V23-L54 HydrophobicContact CG2-CD1 4.29Å; L26-L54 HydrophobicContact CD1-CD1 3.59Å; Y50-L54 WeakPolarHBondContact O-CB 3.37Å; Y50-L54 PolarHBondContact O-N 2.98Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-K56 PolarHBondContact O-N 2.86Å; L54-L57 PolarHBondContact O-N 3.43Å; L54-Q58 HydrophobicContact CD1-CG 4.04Å; L54-Q58 HydrophobicContact CG-CG 4.37Å; L54-Q58 WeakPolarHBondContact O-CB 3.34Å; L54-Q58 VanDerWaalsContact O-CG 3.28Å; L54-Q58 WeakPolarHBondContact O-CG 3.48Å; L54-Q58 PolarHBondContact O-N 2.88Å
55C93.7Very high92.5Very high37 Ų3761.4 Ų61.425%0.2528%0.275CS..Hα-helixtrans-60.9-39.5177.2-169.50000112.7R51 N52 A53 R59R51-C55 WeakPolarHBondContact O-CB 3.33Å; R51-C55 PolarHBondContact O-N 3.19Å; N52-C55 PolarHBondContact O-N 2.87Å; A53-C55 VanDerWaalsContact C-N 3.26Å; A53-C55 PolarHBondContact O-N 3.3Å; C55-R59 WeakPolarHBondContact O-CB 3.48Å; C55-R59 WeakPolarHBondContact O-CG 3.35Å; C55-R59 PolarHBondContact O-N 2.75Å; C55-R59 VanDerWaalsContact O-N 3.17Å; C55-R59 PolarHBondContact SG-NE 3.48Å; C55-R59 PolarHBondContact SG-NH2 2.78Å
56K93.7Very high92.7Very high126 Ų12662.4 Ų62.455%0.54828%0.28SS..Hα-helixtrans-67.7-47.6176.4-74177.7-179.7-178.50111.9L34 N52 A53 L54 R59 E60L34-K56 HydrophobicContact CD1-CB 3.66Å; L34-K56 HydrophobicContact CD1-CD 4.1Å; N52-K56 WeakPolarHBondContact O-CG 3.37Å; N52-K56 PolarHBondContact O-N 3.49Å; N52-K56 VanDerWaalsContact O-N 3.09Å; A53-K56 PolarHBondContact O-N 2.92Å; A53-K56 VanDerWaalsContact O-N 3.09Å; L54-K56 VanDerWaalsContact C-N 3.33Å; L54-K56 PolarHBondContact O-N 2.86Å; K56-R59 PolarHBondContact O-N 3.19Å; K56-E60 PolarHBondContact O-N 2.8Å
57L94Very high93Very high0 Ų064.3 Ų64.30%029%0.288CS..Hα-helixtrans-63.6-44.5179.9-72160.3000111.8V23 L26 Q27 L30 M32 L34 A53 L54 R59 E60 K61V23-L57 HydrophobicContact CB-CD1 4.35Å; V23-L57 HydrophobicContact CG1-CD1 3.88Å; V23-L57 HydrophobicContact CG2-CD1 4.35Å; L26-L57 HydrophobicContact CB-CB 3.87Å; L26-L57 HydrophobicContact CB-CD1 4.08Å; L26-L57 HydrophobicContact CB-CD2 4.46Å; L26-L57 HydrophobicContact CB-CG 4.36Å; L26-L57 HydrophobicContact CD1-CB 3.91Å; L26-L57 HydrophobicContact CG-CB 4.49Å; Q27-L57 HydrophobicContact CG-CD1 3.6Å; Q27-L57 HydrophobicContact CG-CD2 4.11Å; L30-L57 HydrophobicContact CD1-CB 4.12Å; L30-L57 HydrophobicContact CD1-CD2 3.82Å; L30-L57 VanDerWaalsContact CD1-O 3.25Å; L30-L57 WeakPolarHBondContact CD1-O 3.24Å; M32-L57 HydrophobicContact CB-CD2 4.23Å; M32-L57 HydrophobicContact CE-CD2 3.41Å; M32-L57 VanDerWaalsContact CE-CD2 3.41Å; M32-L57 HydrophobicContact CE-CG 4.19Å; M32-L57 HydrophobicContact CG-CD2 4.45Å; M32-L57 WeakPolarHBondContact O-CD2 3.38Å; L34-L57 HydrophobicContact CD1-CD1 4.49Å; L34-L57 HydrophobicContact CD1-CD2 4.25Å; L34-L57 HydrophobicContact CD1-CG 3.9Å; L34-L57 HydrophobicContact CG-CD2 4.39Å; L34-L57 HydrophobicContact CG-CG 4.46Å; A53-L57 WeakPolarHBondContact O-CB 3.19Å; A53-L57 WeakPolarHBondContact O-CG 3.45Å; A53-L57 PolarHBondContact O-N 3.46Å; L54-L57 PolarHBondContact O-N 3.43Å; L57-R59 PolarHBondContact O-N 2.98Å; L57-E60 PolarHBondContact O-N 3.27Å; L57-K61 PolarHBondContact O-N 3.15Å
58Q94.2Very high93.2Very high65 Ų6562.6 Ų62.630%0.30428%0.281SS..Hα-helixtrans-64-38.6176.5-73.3179.2-9.700112.7L26 L54 E60 R62L26-Q58 HydrophobicContact CD1-CG 3.7Å; L54-Q58 HydrophobicContact CD1-CG 4.04Å; L54-Q58 HydrophobicContact CG-CG 4.37Å; L54-Q58 WeakPolarHBondContact O-CB 3.34Å; L54-Q58 VanDerWaalsContact O-CG 3.28Å; L54-Q58 WeakPolarHBondContact O-CG 3.48Å; L54-Q58 PolarHBondContact O-N 2.88Å; Q58-E60 VanDerWaalsContact C-N 3.34Å; Q58-R62 WeakPolarHBondContact O-CG 3.48Å; Q58-R62 PolarHBondContact O-N 3.08Å; Q58-R62 VanDerWaalsContact O-N 3.09Å
59R95Very high93.4Very high152 Ų15262.6 Ų62.657%0.57428%0.283SS*.Hα-helixtrans-62.2-43.8173.1-76.7174.5-166.1151.40.2110.9C55 K56 L57 R62 R63C55-R59 WeakPolarHBondContact O-CB 3.48Å; C55-R59 WeakPolarHBondContact O-CG 3.35Å; C55-R59 PolarHBondContact O-N 2.75Å; C55-R59 VanDerWaalsContact O-N 3.17Å; C55-R59 PolarHBondContact SG-NE 3.48Å; C55-R59 PolarHBondContact SG-NH2 2.78Å; K56-R59 PolarHBondContact O-N 3.19Å; L57-R59 PolarHBondContact O-N 2.98Å; R59-R62 PolarHBondContact O-N 2.76Å; R59-R63 WeakPolarHBondContact O-CB 3.41Å; R59-R63 PolarHBondContact O-N 2.82Å
60E93.5Very high93.6Very high33 Ų3363.2 Ų63.215%0.15429%0.289CS..Hα-helixtrans-65.6-44.5178.8-177.359.5-164.900112.2L30 M32 K56 L57 Q58 R62 R63 R64L30-E60 HydrophobicContact CD1-CB 4.34Å; L30-E60 HydrophobicContact CD1-CG 4.47Å; M32-E60 HydrophobicContact CE-CB 3.7Å; M32-E60 HydrophobicContact CE-CG 3.74Å; M32-E60 HydrophobicContact SD-CG 4.24Å; K56-E60 PolarHBondContact O-N 2.8Å; L57-E60 PolarHBondContact O-N 3.27Å; Q58-E60 VanDerWaalsContact C-N 3.34Å; E60-R62 PolarHBondContact O-N 3.39Å; E60-R63 WeakPolarHBondContact O-CB 3.48Å; E60-R63 PolarHBondContact O-N 3.42Å; E60-R63 VanDerWaalsContact O-N 3.13Å; E60-R63 IonicContact OE1-CZ 2.7Å; E60-R63 IonicContact OE1-NE 2.79Å; E60-R63 PolarHBondContact OE1-NE 3.41Å; E60-R63 IonicContact OE1-NH2 3.02Å; E60-R63 PolarHBondContact OE1-NH2 3.34Å; E60-R63 IonicContact OE2-CZ 3.71Å; E60-R63 IonicContact OE2-NE 3.64Å; E60-R63 PolarHBondContact OE2-NE 3.4Å; E60-R63 IonicContact OE2-NH2 3.07Å; E60-R63 PolarHBondContact OE2-NH2 3.44Å; E60-R64 WeakPolarHBondContact O-CG 3.47Å; E60-R64 PolarHBondContact O-N 3.35Å; E60-R64 IonicContact OE1-CZ 2.64Å; E60-R64 IonicContact OE1-NE 2.8Å; E60-R64 PolarHBondContact OE1-NE 3.16Å; E60-R64 IonicContact OE1-NH2 3.31Å
61K93.7Very high93.7Very high59 Ų5963.7 Ų63.726%0.25729%0.291SS..Hα-helixtrans-54.6-50.2173.6-180167.1176.7163.90111.9L26 E29 L30 L57 R63 R64 I65 V94L26-K61 HydrophobicContact CD2-CD 3.66Å; E29-K61 WeakPolarHBondContact OE1-CE 3.49Å; E29-K61 IonicContact OE1-NZ 3.68Å; E29-K61 PolarHBondContact OE1-NZ 3.02Å; E29-K61 IonicContact OE2-NZ 2.66Å; E29-K61 PolarHBondContact OE2-NZ 2.93Å; L30-K61 HydrophobicContact CD1-CB 4.15Å; L30-K61 HydrophobicContact CD2-CB 3.94Å; L30-K61 HydrophobicContact CD2-CG 4.43Å; L57-K61 PolarHBondContact O-N 3.15Å; K61-R63 VanDerWaalsContact C-N 3.32Å; K61-R63 PolarHBondContact O-N 3.13Å; K61-R64 PolarHBondContact O-N 3.1Å; K61-I65 HydrophobicContact CG-CD1 3.87Å; K61-I65 WeakPolarHBondContact O-CG1 3.49Å; K61-I65 PolarHBondContact O-N 3Å; K61-I65 VanDerWaalsContact O-N 3.07Å; K61-V94 HydrophobicContact CD-CG2 4.16Å; K61-V94 HydrophobicContact CG-CG1 4.35Å; K61-V94 HydrophobicContact CG-CG2 4.07Å
62R94.1Very high93.9Very high126 Ų12659.6 Ų59.648%0.47528%0.279SS..Hα-helixtrans-60.9-41.3176.6-74.6-171.9-66.3-96.4-0.2111.9Q58 R59 E60 N66Q58-R62 WeakPolarHBondContact O-CG 3.48Å; Q58-R62 PolarHBondContact O-N 3.08Å; Q58-R62 VanDerWaalsContact O-N 3.09Å; R59-R62 PolarHBondContact O-N 2.76Å; E60-R62 PolarHBondContact O-N 3.39Å; R62-N66 WeakPolarHBondContact O-CB 3.29Å; R62-N66 PolarHBondContact O-N 3.09Å; R62-N66 PolarHBondContact O-OD1 3.46Å
63R94.4Very high93.9Very high114 Ų11460.3 Ų60.343%0.4329%0.289SS..Hα-helixtrans-59.6-48.7177.4-170.3-174.275871.4111.3R59 E60 K61 N66 M67R59-R63 WeakPolarHBondContact O-CB 3.41Å; R59-R63 PolarHBondContact O-N 2.82Å; E60-R63 WeakPolarHBondContact O-CB 3.48Å; E60-R63 PolarHBondContact O-N 3.42Å; E60-R63 VanDerWaalsContact O-N 3.13Å; E60-R63 IonicContact OE1-CZ 2.7Å; E60-R63 IonicContact OE1-NE 2.79Å; E60-R63 PolarHBondContact OE1-NE 3.41Å; E60-R63 IonicContact OE1-NH2 3.02Å; E60-R63 PolarHBondContact OE1-NH2 3.34Å; E60-R63 IonicContact OE2-CZ 3.71Å; E60-R63 IonicContact OE2-NE 3.64Å; E60-R63 PolarHBondContact OE2-NE 3.4Å; E60-R63 IonicContact OE2-NH2 3.07Å; E60-R63 PolarHBondContact OE2-NH2 3.44Å; K61-R63 VanDerWaalsContact C-N 3.32Å; K61-R63 PolarHBondContact O-N 3.13Å; R63-N66 PolarHBondContact O-N 3.18Å; R63-M67 HydrophobicContact CG-SD 4.3Å; R63-M67 PolarHBondContact NH1-SD 2.72Å; R63-M67 VanDerWaalsContact O-CG 3.31Å; R63-M67 WeakPolarHBondContact O-CG 3.48Å; R63-M67 PolarHBondContact O-N 2.94Å
64R94.4Very high94.1Very high9 Ų962.2 Ų62.23%0.03430%0.297CS..Hα-helixtrans-63.6-45.1-179.2-69.1-163.4-165.61714.1112.7L30 E60 K61 M67 V68 V94 P95 I100L30-R64 PolarHBondContact O-NH1 3.38Å; L30-R64 PolarHBondContact O-NH2 3.01Å; E60-R64 WeakPolarHBondContact O-CG 3.47Å; E60-R64 PolarHBondContact O-N 3.35Å; E60-R64 IonicContact OE1-CZ 2.64Å; E60-R64 IonicContact OE1-NE 2.8Å; E60-R64 PolarHBondContact OE1-NE 3.16Å; E60-R64 IonicContact OE1-NH2 3.31Å; K61-R64 PolarHBondContact O-N 3.1Å; R64-M67 PolarHBondContact O-N 2.57Å; R64-V68 VanDerWaalsContact O-CG2 3.22Å; R64-V68 WeakPolarHBondContact O-CG2 3.4Å; R64-V68 PolarHBondContact O-N 2.71Å; R64-V94 HydrophobicContact CB-CG1 4.27Å; R64-P95 WeakPolarHBondContact CD-O 3.09Å; R64-P95 PolarHBondContact NH1-O 3.01Å; R64-P95 VanDerWaalsContact NH1-O 3.14Å; R64-I100 HydrophobicContact CB-CD1 3.62Å; R64-I100 HydrophobicContact CG-CD1 3.49Å; R64-I100 VanDerWaalsContact CG-CD1 3.49Å
65I91.9Very high94.2Very high61 Ų6161.7 Ų61.731%0.31329%0.294SS..Hα-helixtrans-60.5-50.4176.4-66.9168.1000110.3K61 M67 V68 D69 V94K61-I65 HydrophobicContact CG-CD1 3.87Å; K61-I65 WeakPolarHBondContact O-CG1 3.49Å; K61-I65 PolarHBondContact O-N 3Å; K61-I65 VanDerWaalsContact O-N 3.07Å; I65-M67 VanDerWaalsContact C-N 3.31Å; I65-M67 PolarHBondContact O-N 3.18Å; I65-V68 PolarHBondContact O-N 2.76Å; I65-V68 VanDerWaalsContact O-N 3.13Å; I65-D69 PolarHBondContact O-N 3.46Å; I65-V94 HydrophobicContact CD1-CG2 4.42Å
66N94.2Very high94.2Very high104 Ų10461 Ų6156%0.55629%0.291SS*.Hα-helixtrans-60.7-38.4179.8-69.3-2.5000112.8R62 R63 D70R62-N66 WeakPolarHBondContact O-CB 3.29Å; R62-N66 PolarHBondContact O-N 3.09Å; R62-N66 PolarHBondContact O-OD1 3.46Å; R63-N66 PolarHBondContact O-N 3.18Å; N66-D70 WeakPolarHBondContact O-CB 3.43Å; N66-D70 PolarHBondContact O-N 2.77Å
67M94.8Very high94.2Very high51 Ų5160 Ų6025%0.25129%0.291SS..Hα-helixtrans-64.9-41.8176.2-75.2179.872.700111.9R63 R64 I65 D70 F71 I100R63-M67 HydrophobicContact CG-SD 4.3Å; R63-M67 PolarHBondContact NH1-SD 2.72Å; R63-M67 VanDerWaalsContact O-CG 3.31Å; R63-M67 WeakPolarHBondContact O-CG 3.48Å; R63-M67 PolarHBondContact O-N 2.94Å; R64-M67 PolarHBondContact O-N 2.57Å; I65-M67 VanDerWaalsContact C-N 3.31Å; I65-M67 PolarHBondContact O-N 3.18Å; M67-D70 PolarHBondContact O-N 3.1Å; M67-F71 HydrophobicContact CB-CE2 4.38Å; M67-F71 HydrophobicContact CE-CE2 3.92Å; M67-F71 HydrophobicContact CE-CZ 4.17Å; M67-F71 WeakPolarHBondContact O-CB 3.26Å; M67-F71 WeakPolarHBondContact O-CD2 3.38Å; M67-F71 VanDerWaalsContact O-CG 3.3Å; M67-F71 WeakPolarHBondContact O-CG 3.35Å; M67-F71 PolarHBondContact O-N 3.22Å; M67-I100 HydrophobicContact CB-CG2 4.38Å; M67-I100 HydrophobicContact CE-CG2 3.64Å; M67-I100 HydrophobicContact SD-CG2 4.33Å
68V93.8Very high94.2Very high11 Ų1160.3 Ų60.37%0.06729%0.293CS..Hα-helixtrans-67.8-43.3179.3171.70000110.6R64 I65 D70 F71 C72 F91 P95 I100 L103R64-V68 VanDerWaalsContact O-CG2 3.22Å; R64-V68 WeakPolarHBondContact O-CG2 3.4Å; R64-V68 PolarHBondContact O-N 2.71Å; I65-V68 PolarHBondContact O-N 2.76Å; I65-V68 VanDerWaalsContact O-N 3.13Å; V68-D70 VanDerWaalsContact C-N 3.33Å; V68-D70 PolarHBondContact O-N 2.94Å; V68-F71 PolarHBondContact O-N 3.28Å; V68-C72 VanDerWaalsContact O-CB 3.31Å; V68-C72 WeakPolarHBondContact O-CB 3.41Å; V68-C72 PolarHBondContact O-N 3.27Å; V68-C72 PolarHBondContact O-SG 3.42Å; V68-F91 HydrophobicContact CG1-CD2 3.78Å; V68-F91 HydrophobicContact CG1-CE2 3.92Å; V68-P95 HydrophobicContact CB-CG 4.44Å; V68-P95 HydrophobicContact CG1-CG 4.36Å; V68-P95 HydrophobicContact CG2-CB 3.93Å; V68-P95 HydrophobicContact CG2-CG 3.61Å; V68-I100 HydrophobicContact CG2-CD1 4.43Å; V68-I100 HydrophobicContact CG2-CG1 3.9Å; V68-L103 HydrophobicContact CB-CD1 4.34Å; V68-L103 HydrophobicContact CG1-CD1 4.02Å; V68-L103 HydrophobicContact CG2-CD1 3.91Å
69D93.1Very high94.2Very high92 Ų9257.6 Ų57.649%0.49228%0.281SS..Hα-helixtrans-59.6-43.3175.6-71.7-17000111.6I65 S73I65-D69 PolarHBondContact O-N 3.46Å; D69-S73 WeakPolarHBondContact O-CB 3.39Å; D69-S73 PolarHBondContact O-N 3.08Å; D69-S73 PolarHBondContact O-OG 2.82Å
70D95.5Very high94.1Very high85 Ų8553.6 Ų53.646%0.45528%0.276SS..Hα-helixtrans-64.6-49.6176.2-177.662.4000111.7N66 M67 V68 C72 S73 Q74N66-D70 WeakPolarHBondContact O-CB 3.43Å; N66-D70 PolarHBondContact O-N 2.77Å; M67-D70 PolarHBondContact O-N 3.1Å; V68-D70 VanDerWaalsContact C-N 3.33Å; V68-D70 PolarHBondContact O-N 2.94Å; D70-C72 PolarHBondContact O-N 3.15Å; D70-S73 WeakPolarHBondContact O-CB 3.49Å; D70-S73 PolarHBondContact O-N 3.37Å; D70-Q74 WeakPolarHBondContact O-CG 3.35Å; D70-Q74 PolarHBondContact O-N 2.89Å; D70-Q74 PolarHBondContact OD2-NE2 2.83Å
71F95.3Very high94.1Very high22 Ų2254.9 Ų54.910%0.09628%0.282CS..Hα-helixtrans-62.6-39.8177.9-70.2-37.2000112.8M67 V68 Q74 L75 I100 L103 E104 V107M67-F71 HydrophobicContact CB-CE2 4.38Å; M67-F71 HydrophobicContact CE-CE2 3.92Å; M67-F71 HydrophobicContact CE-CZ 4.17Å; M67-F71 WeakPolarHBondContact O-CB 3.26Å; M67-F71 WeakPolarHBondContact O-CD2 3.38Å; M67-F71 VanDerWaalsContact O-CG 3.3Å; M67-F71 WeakPolarHBondContact O-CG 3.35Å; M67-F71 PolarHBondContact O-N 3.22Å; V68-F71 PolarHBondContact O-N 3.28Å; F71-Q74 PolarHBondContact O-N 3.3Å; F71-L75 WeakPolarHBondContact O-CG 2.97Å; F71-L75 PolarHBondContact O-N 2.9Å; F71-I100 HydrophobicContact CD2-CG2 4.42Å; F71-I100 HydrophobicContact CE2-CG2 3.88Å; F71-L103 HydrophobicContact CB-CB 4.4Å; F71-L103 HydrophobicContact CD2-CB 4.14Å; F71-E104 HydrophobicContact CE1-CB 4.31Å; F71-E104 HydrophobicContact CE1-CG 4.25Å; F71-E104 HydrophobicContact CE2-CB 3.86Å; F71-E104 HydrophobicContact CE2-CG 4.47Å; F71-E104 HydrophobicContact CZ-CB 3.68Å; F71-E104 HydrophobicContact CZ-CG 3.8Å; F71-V107 HydrophobicContact CB-CG2 3.93Å; F71-V107 HydrophobicContact CD1-CG2 3.98Å; F71-V107 HydrophobicContact CG-CG2 4.23Å
72C93.7Very high94Very high21 Ų2152.1 Ų52.114%0.14227%0.27CS..Hα-helixtrans-64.2-41.4175.3-68.50000111.4V68 D70 Q74 L75 A76 I88V68-C72 VanDerWaalsContact O-CB 3.31Å; V68-C72 WeakPolarHBondContact O-CB 3.41Å; V68-C72 PolarHBondContact O-N 3.27Å; V68-C72 PolarHBondContact O-SG 3.42Å; D70-C72 PolarHBondContact O-N 3.15Å; C72-Q74 VanDerWaalsContact C-N 3.34Å; C72-Q74 PolarHBondContact O-N 3.21Å; C72-L75 PolarHBondContact O-N 2.86Å; C72-A76 PolarHBondContact O-N 3.44Å; C72-I88 HydrophobicContact CB-CG2 3.7Å
73S93.9Very high93.9Very high78 Ų7848.3 Ų48.355%0.54527%0.27SS..Hα-helixtrans-62.7-41175.1-59.40000111.8D69 D70 A76 L77D69-S73 WeakPolarHBondContact O-CB 3.39Å; D69-S73 PolarHBondContact O-N 3.08Å; D69-S73 PolarHBondContact O-OG 2.82Å; D70-S73 WeakPolarHBondContact O-CB 3.49Å; D70-S73 PolarHBondContact O-N 3.37Å; S73-A76 PolarHBondContact O-N 3.39Å; S73-L77 PolarHBondContact O-N 3.38Å; S73-L77 VanDerWaalsContact O-N 3.11Å
74Q95.6Very high93.6Very high45 Ų4545 Ų4521%0.2126%0.26CS..Hα-helixtrans-64.6-42.3174.5-69.5-177.455.800112.2D70 F71 C72 L77 L78 V107D70-Q74 WeakPolarHBondContact O-CG 3.35Å; D70-Q74 PolarHBondContact O-N 2.89Å; D70-Q74 PolarHBondContact OD2-NE2 2.83Å; F71-Q74 PolarHBondContact O-N 3.3Å; C72-Q74 VanDerWaalsContact C-N 3.34Å; C72-Q74 PolarHBondContact O-N 3.21Å; Q74-L77 PolarHBondContact O-N 2.89Å; Q74-L78 WeakPolarHBondContact O-CB 3.37Å; Q74-L78 WeakPolarHBondContact O-CG 3.32Å; Q74-L78 PolarHBondContact O-N 3.23Å; Q74-V107 HydrophobicContact CB-CG1 4.14Å; Q74-V107 HydrophobicContact CB-CG2 4.47Å
75L95.5Very high93.3Very high4 Ų449.2 Ų49.22%0.02129%0.288CS..Hα-helixtrans-64-41.2176.6-74174.6000112.3F71 C72 L78 S79 L103 L106 V107 K110F71-L75 WeakPolarHBondContact O-CG 2.97Å; F71-L75 PolarHBondContact O-N 2.9Å; C72-L75 PolarHBondContact O-N 2.86Å; L75-L78 PolarHBondContact O-N 2.79Å; L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.48Å; L75-S79 PolarHBondContact O-N 3.1Å; L75-S79 PolarHBondContact O-OG 3Å; L75-L103 HydrophobicContact CD1-CD2 4.39Å; L75-L106 HydrophobicContact CD1-CD2 3.86Å; L75-L106 HydrophobicContact CD1-CG 4.33Å; L75-L106 HydrophobicContact CD2-CD2 4.29Å; L75-L106 HydrophobicContact CD2-CG 3.95Å; L75-V107 HydrophobicContact CD1-CG2 4.23Å; L75-V107 HydrophobicContact CD2-CB 4.37Å; L75-V107 HydrophobicContact CD2-CG2 3.75Å; L75-V107 HydrophobicContact CG-CG2 3.62Å; L75-K110 HydrophobicContact CD2-CB 4.46Å; L75-K110 HydrophobicContact CD2-CG 4.11Å
76A93.6Very high92.8Very high23 Ų2352.1 Ų52.119%0.1930%0.3CS..Hα-helixtrans-59.2-48.5175.600000110.8C72 S73 S79 S80 I88C72-A76 PolarHBondContact O-N 3.44Å; S73-A76 PolarHBondContact O-N 3.39Å; A76-S79 PolarHBondContact O-N 3.33Å; A76-S80 WeakPolarHBondContact O-CB 3.45Å; A76-S80 PolarHBondContact O-N 3.05Å; A76-I88 HydrophobicContact CB-CD1 3.69Å
77L94.1Very high92.2Very high104 Ų10453.3 Ų53.355%0.54531%0.307SS..Hα-helixtrans-61.4-49.5178.4-179.162.3000112.1S73 Q74 S79 S80 Q81S73-L77 PolarHBondContact O-N 3.38Å; S73-L77 VanDerWaalsContact O-N 3.11Å; Q74-L77 PolarHBondContact O-N 2.89Å; L77-S79 VanDerWaalsContact C-N 3.35Å; L77-S79 PolarHBondContact O-N 3.37Å; L77-S80 PolarHBondContact O-N 3.06Å; L77-Q81 HydrophobicContact CD1-CG 4.35Å; L77-Q81 WeakPolarHBondContact O-CB 3.32Å; L77-Q81 WeakPolarHBondContact O-CG 3.37Å; L77-Q81 PolarHBondContact O-N 3.41Å
78L94.6Very high91.6Very high8 Ų853.4 Ų53.44%0.04231%0.308CS..Hα-helixtrans-63-40.4179.6-73.5168.4000111.9Q74 L75 Q81 M82 V107 K110 R111 F114Q74-L78 WeakPolarHBondContact O-CB 3.37Å; Q74-L78 WeakPolarHBondContact O-CG 3.32Å; Q74-L78 PolarHBondContact O-N 3.23Å; L75-L78 PolarHBondContact O-N 2.79Å; L78-Q81 PolarHBondContact O-N 3.2Å; L78-M82 HydrophobicContact CB-CE 4.46Å; L78-M82 WeakPolarHBondContact O-CB 3.37Å; L78-M82 WeakPolarHBondContact O-CG 3.4Å; L78-M82 PolarHBondContact O-N 3.41Å; L78-V107 HydrophobicContact CD1-CG1 4.45Å; L78-K110 HydrophobicContact CB-CB 4.43Å; L78-K110 HydrophobicContact CD1-CB 3.96Å; L78-R111 HydrophobicContact CD1-CB 4.25Å; L78-F114 HydrophobicContact CD2-CB 4.21Å; L78-F114 HydrophobicContact CD2-CD1 4.48Å; L78-F114 HydrophobicContact CD2-CG 4.41Å
79S93Very high91.2Very high7 Ų755.1 Ų55.15%0.04932%0.319CS..Hα-helixtrans-66.5-42.3178.7-55.30000111.1L75 A76 L77 M82 G83 E84L75-S79 VanDerWaalsContact O-CB 3.26Å; L75-S79 WeakPolarHBondContact O-CB 3.48Å; L75-S79 PolarHBondContact O-N 3.1Å; L75-S79 PolarHBondContact O-OG 3Å; A76-S79 PolarHBondContact O-N 3.33Å; L77-S79 VanDerWaalsContact C-N 3.35Å; L77-S79 PolarHBondContact O-N 3.37Å; S79-M82 CarbonylContact O-C 3.54Å; S79-M82 PolarHBondContact O-N 2.92Å; S79-G83 PolarHBondContact O-N 3.12Å; S79-E84 PolarHBondContact O-N 2.89Å
80S92.9Very high90.8Very high68 Ų6856.9 Ų56.948%0.47633%0.333SS..Hα-helixtrans-61.1-46.9173.6176.90000112A76 L77 M82 G83A76-S80 WeakPolarHBondContact O-CB 3.45Å; A76-S80 PolarHBondContact O-N 3.05Å; L77-S80 PolarHBondContact O-N 3.06Å; S80-M82 PolarHBondContact O-N 3.2Å; S80-G83 PolarHBondContact O-N 2.88Å; S80-G83 VanDerWaalsContact O-N 3.16Å
81Q93.4Very high90.3Very high61 Ų6155.5 Ų55.529%0.28532%0.323SS..Hα-helixtrans-63.5-28.8176.4-72.7180-44.700113.2L77 L78 F114 V156 L157L77-Q81 HydrophobicContact CD1-CG 4.35Å; L77-Q81 WeakPolarHBondContact O-CB 3.32Å; L77-Q81 WeakPolarHBondContact O-CG 3.37Å; L77-Q81 PolarHBondContact O-N 3.41Å; L78-Q81 PolarHBondContact O-N 3.2Å; Q81-F114 HydrophobicContact CB-CD2 4.29Å; Q81-F114 HydrophobicContact CB-CE2 3.77Å; Q81-F114 HydrophobicContact CB-CZ 4.19Å; Q81-V156 CarbonylContact O-C 3.53Å; Q81-V156 WeakPolarHBondContact O-CA 3.47Å; Q81-L157 PolarHBondContact O-N 3.33Å
82M92.7Very high89.8Confident1 Ų162.4 Ų62.41%0.00536%0.361CS..Hα-helixtrans-91.9-4.8177.3-73.3-168.8-59.900114.1L78 S79 S80 E84 K110 L113 F114 R117 S158L78-M82 HydrophobicContact CB-CE 4.46Å; L78-M82 WeakPolarHBondContact O-CB 3.37Å; L78-M82 WeakPolarHBondContact O-CG 3.4Å; L78-M82 PolarHBondContact O-N 3.41Å; S79-M82 CarbonylContact O-C 3.54Å; S79-M82 PolarHBondContact O-N 2.92Å; S80-M82 PolarHBondContact O-N 3.2Å; M82-E84 HydrophobicContact CB-CG 4.11Å; M82-E84 PolarHBondContact O-N 3.26Å; M82-K110 HydrophobicContact CE-CB 4.19Å; M82-K110 HydrophobicContact CE-CD 3.48Å; M82-K110 VanDerWaalsContact CE-CD 3.48Å; M82-K110 HydrophobicContact CE-CG 4.43Å; M82-L113 HydrophobicContact SD-CB 4.39Å; M82-L113 HydrophobicContact SD-CD2 4.02Å; M82-L113 HydrophobicContact SD-CG 4.07Å; M82-F114 HydrophobicContact CG-CB 4.28Å; M82-F114 HydrophobicContact CG-CD2 3.71Å; M82-F114 HydrophobicContact CG-CG 4.46Å; M82-F114 HydrophobicContact SD-CB 4.02Å; M82-R117 PolarHBondContact O-NH1 2.84Å; M82-S158 VanDerWaalsContact O-CA 3.26Å; M82-S158 WeakPolarHBondContact O-CA 3.42Å
83G91.1Very high89.4Confident46 Ų4666.3 Ų66.347%0.47438%0.377SS..THydrogen-bonded Turntrans63.528.5-175.600000113.3S79 S80S79-G83 PolarHBondContact O-N 3.12Å; S80-G83 PolarHBondContact O-N 2.88Å; S80-G83 VanDerWaalsContact O-N 3.16Å
84E89.7Confident89Confident45 Ų4563.2 Ų63.221%0.2136%0.355CS..  trans-100.1149.8179.6-70.4-178.5-179.600110.5S79 M82 E86 K110 R117S79-E84 PolarHBondContact O-N 2.89Å; M82-E84 HydrophobicContact CB-CG 4.11Å; M82-E84 PolarHBondContact O-N 3.26Å; E84-E86 PolarHBondContact O-N 2.92Å; E84-K110 IonicContact OE2-NZ 3.54Å; E84-K110 PolarHBondContact OE2-NZ 2.94Å; E84-R117 IonicContact OE1-CZ 2.74Å; E84-R117 IonicContact OE1-NH1 3.5Å; E84-R117 PolarHBondContact OE1-NH1 3.09Å; E84-R117 IonicContact OE1-NH2 2.82Å; E84-R117 PolarHBondContact OE1-NH2 3.28Å
85P87.6Confident88.7Confident96 Ų9661.4 Ų61.462%0.62335%0.347SS*.  trans-59135.9176.225.1-33.7000110.6N87P85-N87 VanDerWaalsContact C-N 3.33Å; P85-N87 PolarHBondContact O-N 3.48Å
86E81.4Confident88.4Confident122 Ų12262.3 Ų62.357%0.5736%0.355SS*.  trans-67.387.6177.9-69.7-178.9-169.200110.5E84 I88E84-E86 PolarHBondContact O-N 2.92Å; E86-I88 VanDerWaalsContact C-N 3.27Å; E86-I88 HydrophobicContact CB-CD1 4.16Å; E86-I88 HydrophobicContact CB-CG1 4.24Å; E86-I88 PolarHBondContact O-N 3.49Å
87N80.5Confident88.2Confident130 Ų13064.1 Ų64.170%0.69536%0.364SS*.  trans-89.964.3173-70.1-26.7000109.8P85 P89P85-N87 VanDerWaalsContact C-N 3.33Å; P85-N87 PolarHBondContact O-N 3.48Å; N87-P89 WeakPolarHBondContact O-CD 3.43Å
88I83.4Confident88Confident53 Ų5363.2 Ų63.227%0.27237%0.365SS..PPolyproline II helixtrans-83121.5-179.1-56.3167.7000108.7C72 A76 E86 T90C72-I88 HydrophobicContact CB-CG2 3.7Å; A76-I88 HydrophobicContact CB-CD1 3.69Å; E86-I88 VanDerWaalsContact C-N 3.27Å; E86-I88 HydrophobicContact CB-CD1 4.16Å; E86-I88 HydrophobicContact CB-CG1 4.24Å; E86-I88 PolarHBondContact O-N 3.49Å; I88-T90 PolarHBondContact O-N 3Å
89P84.7Confident87.9Confident47 Ų4765.7 Ų65.731%0.30538%0.376SS..PPolyproline II helixtrans-64.6127.8177.1-23.636.8000111.6N87 F91 L103 L106N87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-F91 HydrophobicContact CB-CE2 3.89Å; P89-F91 HydrophobicContact CB-CZ 3.98Å; P89-L103 HydrophobicContact CB-CD2 4Å; P89-L103 HydrophobicContact CG-CD2 3.64Å; P89-L106 HydrophobicContact CG-CD2 4.45Å
90T84.4Confident87.9Confident128 Ų12865.7 Ų65.779%0.78538%0.376SS*.PPolyproline II helixtrans-98.1134.717448.30000110.4I88I88-T90 PolarHBondContact O-N 3Å
91F84.6Confident88Confident57 Ų5767 Ų6725%0.2538%0.375CS..  trans-115.8123.3179.7-59.6-89.9000110.6V68 P89 H93 P95 E99 L103V68-F91 HydrophobicContact CG1-CD2 3.78Å; V68-F91 HydrophobicContact CG1-CE2 3.92Å; P89-F91 HydrophobicContact CB-CE2 3.89Å; P89-F91 HydrophobicContact CB-CZ 3.98Å; F91-H93 VanDerWaalsContact C-N 3.29Å; F91-P95 HydrophobicContact CB-CG 3.96Å; F91-P95 HydrophobicContact CD1-CB 4.25Å; F91-P95 HydrophobicContact CD1-CG 3.81Å; F91-P95 HydrophobicContact CD2-CG 4.11Å; F91-P95 HydrophobicContact CE1-CB 4.46Å; F91-P95 HydrophobicContact CE1-CG 4.37Å; F91-P95 HydrophobicContact CG-CG 3.68Å; F91-E99 HydrophobicContact CE1-CB 3.96Å; F91-E99 HydrophobicContact CE1-CG 4.36Å; F91-L103 HydrophobicContact CE2-CD1 3.59Å; F91-L103 HydrophobicContact CE2-CD2 4.13Å; F91-L103 HydrophobicContact CE2-CG 4.21Å; F91-L103 HydrophobicContact CZ-CD1 3.63Å; F91-L103 HydrophobicContact CZ-CD2 4.07Å; F91-L103 HydrophobicContact CZ-CG 3.92Å
92D84.7Confident88Confident167 Ų16768.4 Ų68.489%0.89339%0.387SS*.SBendtrans-86.2-3.9175.2-64.9-23.5000112.3
93H85.6Confident88.1Confident102 Ų10268.6 Ų68.647%0.47239%0.388SS..SBendtrans-132.8166.3-178.458.4-78.4000111F91 P95 E99F91-H93 VanDerWaalsContact C-N 3.29Å; H93-P95 VanDerWaalsContact O-CD 3.24Å; H93-P95 WeakPolarHBondContact O-CD 3.37Å; H93-E99 IonicContact CD2-OE2 3.78Å; H93-E99 IonicContact CE1-OE1 3.74Å; H93-E99 PolarHBondContact CE1-OE1 3.27Å; H93-E99 IonicContact CE1-OE2 2.61Å; H93-E99 VanDerWaalsContact NE2-CD 3.32Å; H93-E99 IonicContact NE2-OE1 3.78Å; H93-E99 PolarHBondContact NE2-OE1 3.37Å; H93-E99 IonicContact NE2-OE2 3.55Å; H93-E99 PolarHBondContact NE2-OE2 3.27Å
94V86.7Confident88.3Confident14 Ų1470.4 Ų70.49%0.08538%0.384CS..PPolyproline II helixtrans-68.6121.5171.2177.80000108.8E29 L30 K61 R64 I65 A96E29-V94 HydrophobicContact CG-CB 4.12Å; E29-V94 HydrophobicContact CG-CG2 4Å; E29-V94 WeakPolarHBondContact OE1-CG2 3.36Å; L30-V94 HydrophobicContact CD2-CB 4.39Å; L30-V94 HydrophobicContact CD2-CG1 3.56Å; K61-V94 HydrophobicContact CD-CG2 4.16Å; K61-V94 HydrophobicContact CG-CG1 4.35Å; K61-V94 HydrophobicContact CG-CG2 4.07Å; R64-V94 HydrophobicContact CB-CG1 4.27Å; I65-V94 HydrophobicContact CD1-CG2 4.42Å; V94-A96 PolarHBondContact O-N 3.47Å
95P87.8Confident88.6Confident6 Ų674.8 Ų74.84%0.03941%0.405CS..PPolyproline II helixtrans-61.2140.9-170.8-31.642.4000113.5R64 V68 F91 H93 E99 I100R64-P95 WeakPolarHBondContact CD-O 3.09Å; R64-P95 PolarHBondContact NH1-O 3.01Å; R64-P95 VanDerWaalsContact NH1-O 3.14Å; V68-P95 HydrophobicContact CB-CG 4.44Å; V68-P95 HydrophobicContact CG1-CG 4.36Å; V68-P95 HydrophobicContact CG2-CB 3.93Å; V68-P95 HydrophobicContact CG2-CG 3.61Å; F91-P95 HydrophobicContact CB-CG 3.96Å; F91-P95 HydrophobicContact CD1-CB 4.25Å; F91-P95 HydrophobicContact CD1-CG 3.81Å; F91-P95 HydrophobicContact CD2-CG 4.11Å; F91-P95 HydrophobicContact CE1-CB 4.46Å; F91-P95 HydrophobicContact CE1-CG 4.37Å; F91-P95 HydrophobicContact CG-CG 3.68Å; H93-P95 VanDerWaalsContact O-CD 3.24Å; H93-P95 WeakPolarHBondContact O-CD 3.37Å; P95-E99 VanDerWaalsContact CA-OE2 3.27Å; P95-E99 WeakPolarHBondContact CA-OE2 3.46Å; P95-E99 HydrophobicContact CB-CB 4.21Å; P95-I100 HydrophobicContact CB-CD1 4.42Å; P95-I100 HydrophobicContact CB-CG1 3.95Å
96A89.6Confident89Confident23 Ų2373.3 Ų73.319%0.1939%0.391CS..PPolyproline II helixtrans-69.1158.7169.200000110.3V94 C98 E99 I100V94-A96 PolarHBondContact O-N 3.47Å; A96-C98 VanDerWaalsContact C-N 3.26Å; A96-C98 PolarHBondContact O-N 2.94Å; A96-E99 HydrophobicContact CB-CG 4.27Å; A96-E99 PolarHBondContact N-OE2 3.41Å; A96-E99 WeakPolarHBondContact O-CB 3.44Å; A96-E99 PolarHBondContact O-N 3.47Å; A96-I100 PolarHBondContact O-N 2.91Å; A96-I100 VanDerWaalsContact O-N 3.15Å
97V90.2Very high89.6Confident62 Ų6267.5 Ų67.538%0.37636%0.364SS..Hα-helixtrans-56.8-42.5179.7-179.70000111.2E99 I100 E101V97-E99 VanDerWaalsContact C-N 3.3Å; V97-E99 PolarHBondContact O-N 3.34Å; V97-I100 PolarHBondContact O-N 2.58Å; V97-E101 HydrophobicContact CG1-CG 4.44Å; V97-E101 WeakPolarHBondContact O-CG 3.34Å; V97-E101 PolarHBondContact O-N 3.11Å
98C90.3Very high90.4Very high85 Ų8564.7 Ų64.757%0.57435%0.349SS*.Hα-helixtrans-64.1-32.3178.2-57.60000113.4A96 T102A96-C98 VanDerWaalsContact C-N 3.26Å; A96-C98 PolarHBondContact O-N 2.94Å; C98-T102 WeakPolarHBondContact O-CB 3.33Å; C98-T102 PolarHBondContact O-N 2.9Å; C98-T102 PolarHBondContact O-OG1 3.28Å
99E92.4Very high91Very high59 Ų5965.6 Ų65.628%0.27636%0.36SS..Hα-helixtrans-70-39.9176.5-66.7174.9134.900110.7F91 H93 P95 A96 V97 T102 L103F91-E99 HydrophobicContact CE1-CB 3.96Å; F91-E99 HydrophobicContact CE1-CG 4.36Å; H93-E99 IonicContact CD2-OE2 3.78Å; H93-E99 IonicContact CE1-OE1 3.74Å; H93-E99 PolarHBondContact CE1-OE1 3.27Å; H93-E99 IonicContact CE1-OE2 2.61Å; H93-E99 VanDerWaalsContact NE2-CD 3.32Å; H93-E99 IonicContact NE2-OE1 3.78Å; H93-E99 PolarHBondContact NE2-OE1 3.37Å; H93-E99 IonicContact NE2-OE2 3.55Å; H93-E99 PolarHBondContact NE2-OE2 3.27Å; P95-E99 VanDerWaalsContact CA-OE2 3.27Å; P95-E99 WeakPolarHBondContact CA-OE2 3.46Å; P95-E99 HydrophobicContact CB-CB 4.21Å; A96-E99 HydrophobicContact CB-CG 4.27Å; A96-E99 PolarHBondContact N-OE2 3.41Å; A96-E99 WeakPolarHBondContact O-CB 3.44Å; A96-E99 PolarHBondContact O-N 3.47Å; V97-E99 VanDerWaalsContact C-N 3.3Å; V97-E99 PolarHBondContact O-N 3.34Å; E99-T102 PolarHBondContact O-N 2.97Å; E99-L103 WeakPolarHBondContact O-CG 3.49Å; E99-L103 PolarHBondContact O-N 3.03Å
100I93Very high91.5Very high8 Ų865.8 Ų65.84%0.04136%0.356CS..Hα-helixtrans-64.8-43.9174.7-61.1173.9000110.9R64 M67 V68 F71 P95 A96 V97 T102 L103 E104R64-I100 HydrophobicContact CB-CD1 3.62Å; R64-I100 HydrophobicContact CG-CD1 3.49Å; R64-I100 VanDerWaalsContact CG-CD1 3.49Å; M67-I100 HydrophobicContact CB-CG2 4.38Å; M67-I100 HydrophobicContact CE-CG2 3.64Å; M67-I100 HydrophobicContact SD-CG2 4.33Å; V68-I100 HydrophobicContact CG2-CD1 4.43Å; V68-I100 HydrophobicContact CG2-CG1 3.9Å; F71-I100 HydrophobicContact CD2-CG2 4.42Å; F71-I100 HydrophobicContact CE2-CG2 3.88Å; P95-I100 HydrophobicContact CB-CD1 4.42Å; P95-I100 HydrophobicContact CB-CG1 3.95Å; A96-I100 PolarHBondContact O-N 2.91Å; A96-I100 VanDerWaalsContact O-N 3.15Å; V97-I100 PolarHBondContact O-N 2.58Å; I100-T102 VanDerWaalsContact C-N 3.28Å; I100-T102 PolarHBondContact O-N 2.87Å; I100-L103 WeakPolarHBondContact O-CB 3.45Å; I100-L103 PolarHBondContact O-N 2.97Å; I100-E104 WeakPolarHBondContact O-CB 3.46Å; I100-E104 PolarHBondContact O-N 3.25Å
101E94.5Very high92Very high96 Ų9664.2 Ų64.245%0.44934%0.336SS..Hα-helixtrans-60.4-38.5174.9-71.8170.5173.300111.5V97 E104 Q105V97-E101 HydrophobicContact CG1-CG 4.44Å; V97-E101 WeakPolarHBondContact O-CG 3.34Å; V97-E101 PolarHBondContact O-N 3.11Å; E101-E104 PolarHBondContact O-N 2.86Å; E101-Q105 VanDerWaalsContact O-CG 3.32Å; E101-Q105 WeakPolarHBondContact O-CG 3.32Å; E101-Q105 PolarHBondContact O-N 3.32Å
102T94Very high92.6Very high89 Ų8967.2 Ų67.255%0.54635%0.351SS..Hα-helixtrans-67.1-41.6176.5-55.70000111.6C98 E99 I100 Q105 L106C98-T102 WeakPolarHBondContact O-CB 3.33Å; C98-T102 PolarHBondContact O-N 2.9Å; C98-T102 PolarHBondContact O-OG1 3.28Å; E99-T102 PolarHBondContact O-N 2.97Å; I100-T102 VanDerWaalsContact C-N 3.28Å; I100-T102 PolarHBondContact O-N 2.87Å; T102-Q105 PolarHBondContact O-N 2.93Å; T102-L106 PolarHBondContact O-N 2.95Å
103L93.7Very high93.1Very high5 Ų562.3 Ų62.33%0.02632%0.324CS..Hα-helixtrans-62-44.7173.7-75.7173.7000112.1V68 F71 L75 P89 F91 E99 I100 Q105 L106 V107V68-L103 HydrophobicContact CB-CD1 4.34Å; V68-L103 HydrophobicContact CG1-CD1 4.02Å; V68-L103 HydrophobicContact CG2-CD1 3.91Å; F71-L103 HydrophobicContact CB-CB 4.4Å; F71-L103 HydrophobicContact CD2-CB 4.14Å; L75-L103 HydrophobicContact CD1-CD2 4.39Å; P89-L103 HydrophobicContact CB-CD2 4Å; P89-L103 HydrophobicContact CG-CD2 3.64Å; F91-L103 HydrophobicContact CE2-CD1 3.59Å; F91-L103 HydrophobicContact CE2-CD2 4.13Å; F91-L103 HydrophobicContact CE2-CG 4.21Å; F91-L103 HydrophobicContact CZ-CD1 3.63Å; F91-L103 HydrophobicContact CZ-CD2 4.07Å; F91-L103 HydrophobicContact CZ-CG 3.92Å; E99-L103 WeakPolarHBondContact O-CG 3.49Å; E99-L103 PolarHBondContact O-N 3.03Å; I100-L103 WeakPolarHBondContact O-CB 3.45Å; I100-L103 PolarHBondContact O-N 2.97Å; L103-Q105 VanDerWaalsContact C-N 3.33Å; L103-Q105 PolarHBondContact O-N 3.39Å; L103-L106 WeakPolarHBondContact O-CB 3.42Å; L103-L106 PolarHBondContact O-N 3.49Å; L103-L106 VanDerWaalsContact O-N 3.16Å; L103-V107 WeakPolarHBondContact O-CG2 3.46Å; L103-V107 PolarHBondContact O-N 2.69Å
104E95.9Very high93.6Very high84 Ų8459.4 Ų59.439%0.39331%0.31SS..Hα-helixtrans-59.1-45.4177.4-177.7176.1-167.300110.9F71 I100 E101 L106 V107 N108F71-E104 HydrophobicContact CE1-CB 4.31Å; F71-E104 HydrophobicContact CE1-CG 4.25Å; F71-E104 HydrophobicContact CE2-CB 3.86Å; F71-E104 HydrophobicContact CE2-CG 4.47Å; F71-E104 HydrophobicContact CZ-CB 3.68Å; F71-E104 HydrophobicContact CZ-CG 3.8Å; I100-E104 WeakPolarHBondContact O-CB 3.46Å; I100-E104 PolarHBondContact O-N 3.25Å; E101-E104 PolarHBondContact O-N 2.86Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 3.42Å; E104-V107 PolarHBondContact O-N 2.81Å; E104-N108 WeakPolarHBondContact O-CB 3.46Å; E104-N108 VanDerWaalsContact O-CG 3.27Å; E104-N108 PolarHBondContact O-N 3.12Å; E104-N108 PolarHBondContact O-ND2 3.38Å
105Q96Very high94Very high138 Ų13864.1 Ų64.165%0.64533%0.331SS*.Hα-helixtrans-60.8-40.4175.1-73.4177.14.700112.3E101 T102 L103 N108 S109E101-Q105 VanDerWaalsContact O-CG 3.32Å; E101-Q105 WeakPolarHBondContact O-CG 3.32Å; E101-Q105 PolarHBondContact O-N 3.32Å; T102-Q105 PolarHBondContact O-N 2.93Å; L103-Q105 VanDerWaalsContact C-N 3.33Å; L103-Q105 PolarHBondContact O-N 3.39Å; Q105-N108 PolarHBondContact O-N 3.48Å; Q105-S109 WeakPolarHBondContact O-CB 3.46Å; Q105-S109 PolarHBondContact O-N 2.86Å
106L94.8Very high94.3Very high64 Ų6470.4 Ų70.434%0.33536%0.362SS..Hα-helixtrans-65-45.6177.5-177.961.4000111.9L75 P89 T102 L103 E104 N108 S109 K110L75-L106 HydrophobicContact CD1-CD2 3.86Å; L75-L106 HydrophobicContact CD1-CG 4.33Å; L75-L106 HydrophobicContact CD2-CD2 4.29Å; L75-L106 HydrophobicContact CD2-CG 3.95Å; P89-L106 HydrophobicContact CG-CD2 4.45Å; T102-L106 PolarHBondContact O-N 2.95Å; L103-L106 WeakPolarHBondContact O-CB 3.42Å; L103-L106 PolarHBondContact O-N 3.49Å; L103-L106 VanDerWaalsContact O-N 3.16Å; E104-L106 VanDerWaalsContact C-N 3.33Å; E104-L106 PolarHBondContact O-N 3.42Å; L106-N108 VanDerWaalsContact C-N 3.33Å; L106-N108 PolarHBondContact O-N 3.09Å; L106-S109 PolarHBondContact O-N 3.08Å; L106-K110 HydrophobicContact CD1-CG 4.46Å; L106-K110 WeakPolarHBondContact O-CG 3.36Å; L106-K110 PolarHBondContact O-N 2.68Å
107V95.9Very high94.6Very high1 Ų170.7 Ų70.71%0.00636%0.358CS..Hα-helixtrans-57.7-47.8174.6170.90000110.4F71 Q74 L75 L78 L103 E104 S109 K110 R111F71-V107 HydrophobicContact CB-CG2 3.93Å; F71-V107 HydrophobicContact CD1-CG2 3.98Å; F71-V107 HydrophobicContact CG-CG2 4.23Å; Q74-V107 HydrophobicContact CB-CG1 4.14Å; Q74-V107 HydrophobicContact CB-CG2 4.47Å; L75-V107 HydrophobicContact CD1-CG2 4.23Å; L75-V107 HydrophobicContact CD2-CB 4.37Å; L75-V107 HydrophobicContact CD2-CG2 3.75Å; L75-V107 HydrophobicContact CG-CG2 3.62Å; L78-V107 HydrophobicContact CD1-CG1 4.45Å; L103-V107 WeakPolarHBondContact O-CG2 3.46Å; L103-V107 PolarHBondContact O-N 2.69Å; E104-V107 PolarHBondContact O-N 2.81Å; V107-S109 PolarHBondContact O-N 2.62Å; V107-K110 PolarHBondContact O-N 3.17Å; V107-R111 WeakPolarHBondContact O-CB 3.45Å; V107-R111 PolarHBondContact O-N 3.4Å
108N97Very high94.8Very high70 Ų7068.8 Ų68.837%0.37435%0.347SS..Hα-helixtrans-63.5-41.9-179.8-73.6-28000112.1E104 Q105 L106 R111 Q112E104-N108 WeakPolarHBondContact O-CB 3.46Å; E104-N108 VanDerWaalsContact O-CG 3.27Å; E104-N108 PolarHBondContact O-N 3.12Å; E104-N108 PolarHBondContact O-ND2 3.38Å; Q105-N108 PolarHBondContact O-N 3.48Å; L106-N108 VanDerWaalsContact C-N 3.33Å; L106-N108 PolarHBondContact O-N 3.09Å; N108-R111 PolarHBondContact O-N 3.19Å; N108-Q112 WeakPolarHBondContact O-CG 3.22Å; N108-Q112 PolarHBondContact O-N 3.4Å
109S95.4Very high95Very high72 Ų7268.6 Ų68.650%0.50335%0.346SS..Hα-helixtrans-62.1-45.1175.3179.30000112Q105 L106 V107 Q112 L113Q105-S109 WeakPolarHBondContact O-CB 3.46Å; Q105-S109 PolarHBondContact O-N 2.86Å; L106-S109 PolarHBondContact O-N 3.08Å; V107-S109 PolarHBondContact O-N 2.62Å; S109-Q112 PolarHBondContact O-N 3.29Å; S109-L113 PolarHBondContact O-N 3.02Å
110K94.5Very high95.2Very high52 Ų5268.7 Ų68.723%0.22635%0.353CS..Hα-helixtrans-64.9-39177-72-75.6178.6-173.20112.2L75 L78 M82 E84 L106 V107 L113 F114L75-K110 HydrophobicContact CD2-CB 4.46Å; L75-K110 HydrophobicContact CD2-CG 4.11Å; L78-K110 HydrophobicContact CB-CB 4.43Å; L78-K110 HydrophobicContact CD1-CB 3.96Å; M82-K110 HydrophobicContact CE-CB 4.19Å; M82-K110 HydrophobicContact CE-CD 3.48Å; M82-K110 VanDerWaalsContact CE-CD 3.48Å; M82-K110 HydrophobicContact CE-CG 4.43Å; E84-K110 IonicContact OE2-NZ 3.54Å; E84-K110 PolarHBondContact OE2-NZ 2.94Å; L106-K110 HydrophobicContact CD1-CG 4.46Å; L106-K110 WeakPolarHBondContact O-CG 3.36Å; L106-K110 PolarHBondContact O-N 2.68Å; V107-K110 PolarHBondContact O-N 3.17Å; K110-L113 PolarHBondContact O-N 3.27Å; K110-F114 PolarHBondContact O-N 3.48Å
111R96.2Very high95.3Very high94 Ų9468.3 Ų68.336%0.35535%0.351SS..Hα-helixtrans-61.5-49.4174.8-177.4-177.9-57.8-72.7-2.5111.6L78 V107 N108 L113 F114 E115L78-R111 HydrophobicContact CD1-CB 4.25Å; V107-R111 WeakPolarHBondContact O-CB 3.45Å; V107-R111 PolarHBondContact O-N 3.4Å; N108-R111 PolarHBondContact O-N 3.19Å; R111-L113 VanDerWaalsContact C-N 3.3Å; R111-L113 PolarHBondContact O-N 2.98Å; R111-F114 PolarHBondContact O-N 3.45Å; R111-E115 WeakPolarHBondContact O-CG 3.43Å; R111-E115 PolarHBondContact O-N 2.92Å
112Q97Very high95.3Very high121 Ų12167.7 Ų67.757%0.56535%0.35SS*.Hα-helixtrans-59.6-41.8176.6-73.5175.20.500111.7N108 S109 E115 M116N108-Q112 WeakPolarHBondContact O-CG 3.22Å; N108-Q112 PolarHBondContact O-N 3.4Å; S109-Q112 PolarHBondContact O-N 3.29Å; Q112-E115 PolarHBondContact O-N 3.49Å; Q112-M116 WeakPolarHBondContact O-CG 3.37Å; Q112-M116 PolarHBondContact O-N 3.42Å
113L95Very high95.3Very high64 Ų6467.1 Ų67.134%0.33535%0.35SS..Hα-helixtrans-61.6-44.9176.1-178.361.9000111.8M82 S109 K110 R111 M116 R117M82-L113 HydrophobicContact SD-CB 4.39Å; M82-L113 HydrophobicContact SD-CD2 4.02Å; M82-L113 HydrophobicContact SD-CG 4.07Å; S109-L113 PolarHBondContact O-N 3.02Å; K110-L113 PolarHBondContact O-N 3.27Å; R111-L113 VanDerWaalsContact C-N 3.3Å; R111-L113 PolarHBondContact O-N 2.98Å; L113-M116 PolarHBondContact O-N 2.92Å; L113-R117 WeakPolarHBondContact O-CG 3.38Å; L113-R117 PolarHBondContact O-N 3.25Å
114F94.9Very high95.4Very high41 Ų4167.9 Ų67.918%0.1835%0.353CS..Hα-helixtrans-62.8-42177.4-178.3-107.7000112.2L78 Q81 M82 K110 R111 R117 T118 L157L78-F114 HydrophobicContact CD2-CB 4.21Å; L78-F114 HydrophobicContact CD2-CD1 4.48Å; L78-F114 HydrophobicContact CD2-CG 4.41Å; Q81-F114 HydrophobicContact CB-CD2 4.29Å; Q81-F114 HydrophobicContact CB-CE2 3.77Å; Q81-F114 HydrophobicContact CB-CZ 4.19Å; M82-F114 HydrophobicContact CG-CB 4.28Å; M82-F114 HydrophobicContact CG-CD2 3.71Å; M82-F114 HydrophobicContact CG-CG 4.46Å; M82-F114 HydrophobicContact SD-CB 4.02Å; K110-F114 PolarHBondContact O-N 3.48Å; R111-F114 PolarHBondContact O-N 3.45Å; F114-R117 PolarHBondContact O-N 2.94Å; F114-T118 WeakPolarHBondContact O-CB 3.24Å; F114-T118 PolarHBondContact O-N 2.9Å; F114-T118 PolarHBondContact O-OG1 3.21Å; F114-L157 HydrophobicContact CE2-CB 4.38Å
115E95.5Very high95.4Very high112 Ų11264 Ų6452%0.52334%0.336SS..Hα-helixtrans-60.9-44.8174.2-73.3171.4-17100111.6R111 Q112 T118 S119R111-E115 WeakPolarHBondContact O-CG 3.43Å; R111-E115 PolarHBondContact O-N 2.92Å; Q112-E115 PolarHBondContact O-N 3.49Å; E115-T118 PolarHBondContact O-N 3.46Å; E115-S119 WeakPolarHBondContact O-CB 3.26Å; E115-S119 PolarHBondContact O-N 3.21Å
116M95.5Very high95.4Very high138 Ų13860.8 Ų60.868%0.6833%0.329SS*.Hα-helixtrans-61.9-45.6175.6-74.6-175.568.300112.3Q112 L113 T118 S119 C120Q112-M116 WeakPolarHBondContact O-CG 3.37Å; Q112-M116 PolarHBondContact O-N 3.42Å; L113-M116 PolarHBondContact O-N 2.92Å; M116-T118 VanDerWaalsContact C-N 3.33Å; M116-T118 PolarHBondContact O-N 2.87Å; M116-S119 PolarHBondContact O-N 2.97Å; M116-C120 WeakPolarHBondContact O-CB 3.49Å; M116-C120 PolarHBondContact O-N 2.91Å
117R95.3Very high95.4Very high30 Ų3061.2 Ų61.211%0.11333%0.329CS..Hα-helixtrans-60.6-44.2176.5-74.8-164.4179.3160.310.9111.2M82 E84 L113 F114 C120 Y121 L157 L162M82-R117 PolarHBondContact O-NH1 2.84Å; E84-R117 IonicContact OE1-CZ 2.74Å; E84-R117 IonicContact OE1-NH1 3.5Å; E84-R117 PolarHBondContact OE1-NH1 3.09Å; E84-R117 IonicContact OE1-NH2 2.82Å; E84-R117 PolarHBondContact OE1-NH2 3.28Å; L113-R117 WeakPolarHBondContact O-CG 3.38Å; L113-R117 PolarHBondContact O-N 3.25Å; F114-R117 PolarHBondContact O-N 2.94Å; R117-C120 PolarHBondContact O-N 2.96Å; R117-Y121 WeakPolarHBondContact O-CB 3.36Å; R117-Y121 PolarHBondContact O-N 3.44Å; R117-L157 VanDerWaalsContact C-CD2 3.48Å; R117-L157 HydrophobicContact CB-CD2 3.7Å; R117-L157 HydrophobicContact CB-CG 4.19Å; R117-L157 PolarHBondContact NH1-O 2.9Å; R117-L162 HydrophobicContact CB-CD1 3.85Å; R117-L162 HydrophobicContact CG-CD1 3.59Å
118T94.4Very high95.5Very high22 Ų2261.1 Ų61.114%0.13533%0.329CS..Hα-helixtrans-61.3-47.5178.8-60.50000111.4F114 E115 M116 C120 Y121 L122 I153F114-T118 WeakPolarHBondContact O-CB 3.24Å; F114-T118 PolarHBondContact O-N 2.9Å; F114-T118 PolarHBondContact O-OG1 3.21Å; E115-T118 PolarHBondContact O-N 3.46Å; M116-T118 VanDerWaalsContact C-N 3.33Å; M116-T118 PolarHBondContact O-N 2.87Å; T118-C120 PolarHBondContact O-N 3.16Å; T118-Y121 PolarHBondContact O-N 3.41Å; T118-L122 HydrophobicContact CG2-CD1 4.17Å; T118-L122 WeakPolarHBondContact O-CG 3.43Å; T118-L122 PolarHBondContact O-N 3.49Å; T118-I153 HydrophobicContact CG2-CD1 3.43Å; T118-I153 VanDerWaalsContact CG2-CD1 3.43Å; T118-I153 HydrophobicContact CG2-CG1 4.17Å
119S94.9Very high95.4Very high81 Ų8162.4 Ų62.457%0.56633%0.328SS*.Hα-helixtrans-60.2-45176.1-176.90000112E115 M116 L122 S123E115-S119 WeakPolarHBondContact O-CB 3.26Å; E115-S119 PolarHBondContact O-N 3.21Å; M116-S119 PolarHBondContact O-N 2.97Å; S119-L122 PolarHBondContact O-N 3.4Å; S119-S123 WeakPolarHBondContact O-CB 3.32Å; S119-S123 PolarHBondContact O-N 3Å
120C95.3Very high95.4Very high61 Ų6162.8 Ų62.841%0.41233%0.331SS..Hα-helixtrans-60.3-47.7176.8-175.40000111.8M116 R117 T118 L122 S123 L124 L162M116-C120 WeakPolarHBondContact O-CB 3.49Å; M116-C120 PolarHBondContact O-N 2.91Å; R117-C120 PolarHBondContact O-N 2.96Å; T118-C120 PolarHBondContact O-N 3.16Å; C120-L122 PolarHBondContact O-N 3.17Å; C120-S123 PolarHBondContact O-N 3.46Å; C120-L124 WeakPolarHBondContact O-CG 3.39Å; C120-L124 PolarHBondContact O-N 3.29Å; C120-L162 HydrophobicContact CB-CD2 4.45Å
121Y95.3Very high95.4Very high0 Ų061.4 Ų61.40%033%0.326CS..Hα-helixtrans-57.6-49178.1-178-91.7000112.1R117 T118 S123 L124 A125 P154 L157 L162 M165R117-Y121 WeakPolarHBondContact O-CB 3.36Å; R117-Y121 PolarHBondContact O-N 3.44Å; T118-Y121 PolarHBondContact O-N 3.41Å; Y121-S123 VanDerWaalsContact C-N 3.34Å; Y121-S123 PolarHBondContact O-N 3.38Å; Y121-L124 PolarHBondContact O-N 3.49Å; Y121-A125 WeakPolarHBondContact O-CB 3.46Å; Y121-A125 PolarHBondContact O-N 2.66Å; Y121-P154 HydrophobicContact CE1-CG 4.16Å; Y121-P154 HydrophobicContact CE2-CG 3.73Å; Y121-P154 VanDerWaalsContact CZ-CD 3.4Å; Y121-P154 WeakPolarHBondContact OH-CG 2.97Å; Y121-L157 HydrophobicContact CD2-CD1 3.53Å; Y121-L157 HydrophobicContact CE2-CD1 4.21Å; Y121-L157 HydrophobicContact CG-CD1 3.84Å; Y121-L162 HydrophobicContact CD2-CD2 4.2Å; Y121-L162 HydrophobicContact CG-CD2 4.5Å; Y121-M165 HydrophobicContact CD2-CE 4.04Å; Y121-M165 HydrophobicContact CE1-CE 4.37Å; Y121-M165 HydrophobicContact CE2-CE 3.21Å; Y121-M165 WeakPolarHBondContact OH-CE 3.49Å
122L93.9Very high95.4Very high83 Ų8357 Ų5744%0.43531%0.31SS..Hα-helixtrans-64.5-37.8-179.8-68.1175.5000112.3T118 S119 C120 S126 I153T118-L122 HydrophobicContact CG2-CD1 4.17Å; T118-L122 WeakPolarHBondContact O-CG 3.43Å; T118-L122 PolarHBondContact O-N 3.49Å; S119-L122 PolarHBondContact O-N 3.4Å; C120-L122 PolarHBondContact O-N 3.17Å; L122-S126 WeakPolarHBondContact O-CB 3.48Å; L122-S126 PolarHBondContact O-N 3.18Å; L122-I153 HydrophobicContact CD2-CG1 4.21Å
123S95Very high95.3Very high76 Ų7658.2 Ų58.253%0.53132%0.317SS..Hα-helixtrans-62.6-46.8173.6-173.30000111.6S119 C120 Y121 S126 E127S119-S123 WeakPolarHBondContact O-CB 3.32Å; S119-S123 PolarHBondContact O-N 3Å; C120-S123 PolarHBondContact O-N 3.46Å; Y121-S123 VanDerWaalsContact C-N 3.34Å; Y121-S123 PolarHBondContact O-N 3.38Å; S123-S126 PolarHBondContact O-N 2.89Å; S123-E127 PolarHBondContact O-N 2.83Å; S123-E127 VanDerWaalsContact O-N 3.1Å
124L96.2Very high95.1Very high21 Ų2157.6 Ų57.611%0.1132%0.318CS..Hα-helixtrans-61.8-46.2178.1-69.6172.3000111.3C120 Y121 S126 E127 I128 M165 L169C120-L124 WeakPolarHBondContact O-CG 3.39Å; C120-L124 PolarHBondContact O-N 3.29Å; Y121-L124 PolarHBondContact O-N 3.49Å; L124-S126 VanDerWaalsContact C-N 3.34Å; L124-S126 PolarHBondContact O-N 3.39Å; L124-E127 PolarHBondContact O-N 3.43Å; L124-I128 WeakPolarHBondContact O-CB 3.46Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 2.84Å; L124-I128 PolarHBondContact O-N 3.43Å; L124-M165 HydrophobicContact CB-CG 3.67Å; L124-M165 HydrophobicContact CD1-CB 4.12Å; L124-M165 HydrophobicContact CD1-CG 4.05Å; L124-M165 HydrophobicContact CG-CG 4.49Å; L124-L169 HydrophobicContact CD2-CD2 3.5Å
125A95.4Very high95.1Very high2 Ų256.8 Ų56.82%0.01732%0.315CS..Hα-helixtrans-62-40.3178.500000112.5Y121 I128 R129 C150Y121-A125 WeakPolarHBondContact O-CB 3.46Å; Y121-A125 PolarHBondContact O-N 2.66Å; A125-I128 PolarHBondContact O-N 3.49Å; A125-R129 VanDerWaalsContact O-CB 3.31Å; A125-R129 WeakPolarHBondContact O-CB 3.41Å; A125-R129 PolarHBondContact O-N 3.03Å; A125-C150 HydrophobicContact CB-CB 3.74Å; A125-C150 WeakPolarHBondContact CB-SG 3.49Å
126S94.8Very high94.9Very high71 Ų7157.6 Ų57.650%0.49732%0.323SS..Hα-helixtrans-60.9-45.2175.1-174.70000111.9L122 S123 L124 R129 S130L122-S126 WeakPolarHBondContact O-CB 3.48Å; L122-S126 PolarHBondContact O-N 3.18Å; S123-S126 PolarHBondContact O-N 2.89Å; L124-S126 VanDerWaalsContact C-N 3.34Å; L124-S126 PolarHBondContact O-N 3.39Å; S126-R129 PolarHBondContact O-N 2.98Å; S126-S130 PolarHBondContact O-N 3Å
127E96.7Very high94.8Very high73 Ų7353.1 Ų53.134%0.34130%0.299SS..Hα-helixtrans-66.5-44.2179-164.9176.7173.200111.8S123 L124 R129 S130 L131 L169 K173S123-E127 PolarHBondContact O-N 2.83Å; S123-E127 VanDerWaalsContact O-N 3.1Å; L124-E127 PolarHBondContact O-N 3.43Å; E127-R129 VanDerWaalsContact C-N 3.34Å; E127-R129 PolarHBondContact O-N 3.26Å; E127-S130 PolarHBondContact O-N 3.21Å; E127-L131 HydrophobicContact CG-CD1 4.46Å; E127-L131 WeakPolarHBondContact O-CG 3.08Å; E127-L131 PolarHBondContact O-N 3.25Å; E127-L169 HydrophobicContact CB-CD1 4.06Å; E127-L169 HydrophobicContact CG-CD1 3.78Å; E127-L169 HydrophobicContact CG-CD2 4.47Å; E127-L169 WeakPolarHBondContact OE2-CD2 3.39Å; E127-K173 WeakPolarHBondContact OE1-CE 3.41Å; E127-K173 IonicContact OE1-NZ 3.48Å; E127-K173 PolarHBondContact OE1-NZ 3.11Å; E127-K173 IonicContact OE2-NZ 3.53Å
128I97.1Very high94.7Very high0 Ų059.4 Ų59.40%033%0.327CS..Hα-helixtrans-56.6-48.5174.1-74.6164.7000110.7L124 A125 S130 L131 A132 I148 M165 F168 L169 L172L124-I128 WeakPolarHBondContact O-CB 3.46Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 2.84Å; L124-I128 PolarHBondContact O-N 3.43Å; A125-I128 PolarHBondContact O-N 3.49Å; I128-S130 VanDerWaalsContact C-N 3.34Å; I128-S130 PolarHBondContact O-N 2.89Å; I128-L131 PolarHBondContact O-N 3.2Å; I128-A132 VanDerWaalsContact O-CB 3.25Å; I128-A132 WeakPolarHBondContact O-CB 3.2Å; I128-A132 PolarHBondContact O-N 3.1Å; I128-I148 HydrophobicContact CG2-CG1 3.87Å; I128-M165 HydrophobicContact CD1-CG 3.74Å; I128-M165 HydrophobicContact CD1-SD 3.23Å; I128-M165 WeakPolarHBondContact CD1-SD 3.12Å; I128-F168 HydrophobicContact CD1-CD1 3.8Å; I128-F168 HydrophobicContact CD1-CE1 4.37Å; I128-F168 HydrophobicContact CG1-CD1 4.32Å; I128-F168 HydrophobicContact CG2-CD1 4.09Å; I128-F168 HydrophobicContact CG2-CE1 3.54Å; I128-F168 HydrophobicContact CG2-CZ 4.4Å; I128-L169 HydrophobicContact CD1-CB 4.11Å; I128-L169 HydrophobicContact CG1-CB 3.89Å; I128-L169 HydrophobicContact CG1-CD1 3.83Å; I128-L169 HydrophobicContact CG1-CG 4.42Å; I128-L172 HydrophobicContact CB-CD2 4.34Å; I128-L172 HydrophobicContact CG2-CD2 3.95Å; I128-L172 WeakPolarHBondContact O-CD2 3.18Å
129R95.4Very high94.6Very high96 Ų9658.9 Ų58.936%0.36233%0.326SS..Hα-helixtrans-61.4-43.3-179.6-172.8-173-61.2148.7-4.1111.7A125 S126 E127 A132 M133 I148 E149 C150A125-R129 VanDerWaalsContact O-CB 3.31Å; A125-R129 WeakPolarHBondContact O-CB 3.41Å; A125-R129 PolarHBondContact O-N 3.03Å; S126-R129 PolarHBondContact O-N 2.98Å; E127-R129 VanDerWaalsContact C-N 3.34Å; E127-R129 PolarHBondContact O-N 3.26Å; R129-A132 PolarHBondContact O-N 3.27Å; R129-M133 VanDerWaalsContact O-CB 3.3Å; R129-M133 WeakPolarHBondContact O-CB 3.36Å; R129-M133 PolarHBondContact O-N 3.08Å; R129-I148 PolarHBondContact NE-O 3.45Å; R129-E149 PolarHBondContact NH2-O 3.37Å; R129-C150 PolarHBondContact NH2-O 3.34Å
130S94.8Very high94.5Very high81 Ų8162 Ų6257%0.56633%0.33SS*.Hα-helixtrans-61.4-48.7178.1-174.60000111.9S126 E127 I128 M133 S134S126-S130 PolarHBondContact O-N 3Å; E127-S130 PolarHBondContact O-N 3.21Å; I128-S130 VanDerWaalsContact C-N 3.34Å; I128-S130 PolarHBondContact O-N 2.89Å; S130-M133 PolarHBondContact O-N 3.43Å; S130-S134 PolarHBondContact O-N 3.47Å
131L95.7Very high94.5Very high23 Ų2362.5 Ų62.512%0.1233%0.328CS..Hα-helixtrans-65.1-41.4177.5-69.2174.4000112.3E127 I128 M133 S134 M135 L169 L172 K173 H176E127-L131 HydrophobicContact CG-CD1 4.46Å; E127-L131 WeakPolarHBondContact O-CG 3.08Å; E127-L131 PolarHBondContact O-N 3.25Å; I128-L131 PolarHBondContact O-N 3.2Å; L131-M133 VanDerWaalsContact C-N 3.32Å; L131-M133 PolarHBondContact O-N 3.05Å; L131-S134 PolarHBondContact O-N 3.14Å; L131-S134 PolarHBondContact O-OG 3.1Å; L131-M135 HydrophobicContact CB-CE 4.27Å; L131-M135 WeakPolarHBondContact O-CE 3.44Å; L131-M135 PolarHBondContact O-N 3.37Å; L131-L169 HydrophobicContact CD1-CD1 3.81Å; L131-L172 HydrophobicContact CB-CD2 3.92Å; L131-L172 HydrophobicContact CB-CG 4.22Å; L131-K173 HydrophobicContact CD1-CG 3.68Å; L131-H176 HydrophobicContact CD2-CB 4.31Å
132A95.6Very high94.3Very high2 Ų268 Ų682%0.01736%0.362CS..Hα-helixtrans-63.5-41177.400000111.3I128 R129 M135 N136 Y137 I148 L172I128-A132 VanDerWaalsContact O-CB 3.25Å; I128-A132 WeakPolarHBondContact O-CB 3.2Å; I128-A132 PolarHBondContact O-N 3.1Å; R129-A132 PolarHBondContact O-N 3.27Å; A132-M135 PolarHBondContact O-N 2.93Å; A132-N136 CarbonylContact O-C 3.57Å; A132-N136 WeakPolarHBondContact O-CA 3.09Å; A132-N136 PolarHBondContact O-N 2.85Å; A132-Y137 PolarHBondContact O-N 3.45Å; A132-I148 HydrophobicContact CB-CD1 3.97Å; A132-I148 HydrophobicContact CB-CG1 3.85Å; A132-I148 HydrophobicContact CB-CG2 3.86Å; A132-L172 HydrophobicContact CB-CD2 4.32Å
133M94Very high94.2Very high145 Ų14566.8 Ų66.871%0.71435%0.353SS*.Hα-helixtrans-65.1-42.1177.5-170.7178.7-63.500112.2R129 S130 L131 M135 N136R129-M133 VanDerWaalsContact O-CB 3.3Å; R129-M133 WeakPolarHBondContact O-CB 3.36Å; R129-M133 PolarHBondContact O-N 3.08Å; S130-M133 PolarHBondContact O-N 3.43Å; L131-M133 VanDerWaalsContact C-N 3.32Å; L131-M133 PolarHBondContact O-N 3.05Å; M133-M135 VanDerWaalsContact C-N 3.27Å; M133-M135 PolarHBondContact O-N 3.4Å; M133-N136 PolarHBondContact O-N 3.32Å; M133-N136 VanDerWaalsContact O-N 3.14Å
134S91.8Very high94.1Very high51 Ų5163.6 Ų63.636%0.35733%0.33SS..Hα-helixtrans-64.6-31.118071.70000113.2S130 L131 H176S130-S134 PolarHBondContact O-N 3.47Å; L131-S134 PolarHBondContact O-N 3.14Å; L131-S134 PolarHBondContact O-OG 3.1Å; S134-H176 PolarHBondContact OG-CD2 2.66Å; S134-H176 PolarHBondContact OG-NE2 3.39Å
135M93.8Very high94Very high25 Ų2568.7 Ų68.712%0.12335%0.348CS..THydrogen-bonded Turntrans-91.9-4.9175.8-63.5-176.5-83.300114.1L131 A132 M133 Y137 L172 K175 H176 F179L131-M135 HydrophobicContact CB-CE 4.27Å; L131-M135 WeakPolarHBondContact O-CE 3.44Å; L131-M135 PolarHBondContact O-N 3.37Å; A132-M135 PolarHBondContact O-N 2.93Å; M133-M135 VanDerWaalsContact C-N 3.27Å; M133-M135 PolarHBondContact O-N 3.4Å; M135-Y137 PolarHBondContact O-N 3.08Å; M135-L172 HydrophobicContact CE-CD1 3.51Å; M135-L172 HydrophobicContact CE-CG 3.76Å; M135-K175 HydrophobicContact SD-CB 4.43Å; M135-H176 HydrophobicContact CE-CB 3.78Å; M135-H176 HydrophobicContact CG-CB 4.46Å; M135-H176 WeakPolarHBondContact SD-CA 3.21Å; M135-H176 HydrophobicContact SD-CB 3.69Å; M135-H176 PolarHBondContact SD-N 3.28Å; M135-F179 HydrophobicContact CB-CD1 4.35Å; M135-F179 HydrophobicContact CB-CE1 4.45Å; M135-F179 HydrophobicContact CG-CB 4.23Å; M135-F179 HydrophobicContact CG-CD1 3.67Å; M135-F179 HydrophobicContact CG-CE1 4.14Å; M135-F179 HydrophobicContact CG-CG 3.96Å; M135-F179 HydrophobicContact SD-CB 4.17Å
136N92.2Very high93.8Very high128 Ų12872.9 Ų72.968%0.68437%0.366SS*.THydrogen-bonded Turntrans52.336.7-165.9-166.825.2000112.9A132 M133A132-N136 CarbonylContact O-C 3.57Å; A132-N136 WeakPolarHBondContact O-CA 3.09Å; A132-N136 PolarHBondContact O-N 2.85Å; M133-N136 PolarHBondContact O-N 3.32Å; M133-N136 VanDerWaalsContact O-N 3.14Å
137Y94.3Very high93.7Very high45 Ų4569.5 Ų69.518%0.17634%0.342CS..  trans-83.6125179.6-174.7-106.4000111.1A132 M135 K140 E144 I148 F168 L172 K175A132-Y137 PolarHBondContact O-N 3.45Å; M135-Y137 PolarHBondContact O-N 3.08Å; Y137-K140 WeakPolarHBondContact OH-CD 3.28Å; Y137-K140 WeakPolarHBondContact OH-CE 3.38Å; Y137-K140 WeakPolarHBondContact OH-CG 3.4Å; Y137-E144 WeakPolarHBondContact CE1-OE2 3.44Å; Y137-E144 VanDerWaalsContact CZ-OE2 3.25Å; Y137-E144 VanDerWaalsContact OH-CD 3.25Å; Y137-E144 PolarHBondContact OH-OE1 2.7Å; Y137-E144 VanDerWaalsContact OH-OE1 3.13Å; Y137-E144 PolarHBondContact OH-OE2 2.93Å; Y137-I148 HydrophobicContact CD1-CD1 3.86Å; Y137-I148 HydrophobicContact CE1-CD1 4.21Å; Y137-F168 HydrophobicContact CE1-CZ 4.38Å; Y137-L172 HydrophobicContact CD1-CD1 3.73Å; Y137-L172 HydrophobicContact CE1-CD1 3.98Å; Y137-L172 HydrophobicContact CG-CD1 4.33Å; Y137-K175 PolarHBondContact OH-NZ 3.07Å; Y137-K175 VanDerWaalsContact OH-NZ 3.11Å
138K92.6Very high93.5Very high161 Ų16167.3 Ų67.370%0.733%0.332SS*.  trans-101.4-1.5-174.2-64-175.3179.1-179.90115R145K138-R145 VanDerWaalsContact O-CG 3.23Å; K138-R145 WeakPolarHBondContact O-CG 3.31Å
139G92.3Very high93.2Very high12 Ų1272.4 Ų72.412%0.12436%0.356CS..  trans81.5138.1-173.900000113.7E144G139-E144 VanDerWaalsContact CA-OE2 3.3Å; G139-E144 WeakPolarHBondContact CA-OE2 3.37Å
140K92.8Very high92.7Very high146 Ų14668.2 Ų68.264%0.63534%0.341SS*.SBendtrans-85.6-40.8-177.8-70.1171.4-175.5-172.80112Y137 E144 R145Y137-K140 WeakPolarHBondContact OH-CD 3.28Å; Y137-K140 WeakPolarHBondContact OH-CE 3.38Å; Y137-K140 WeakPolarHBondContact OH-CG 3.4Å; K140-E144 PolarHBondContact N-OE2 3.16Å; K140-R145 PolarHBondContact O-NH2 3.36Å
141D93.9Very high91.9Very high71 Ų7171.1 Ų71.138%0.3834%0.344SS..SBendtrans-117.4-178.6-177.161.446.3000111.9F143 E144 R145D141-F143 VanDerWaalsContact C-N 3.34Å; D141-F143 WeakPolarHBondContact OD1-CA 3.44Å; D141-F143 WeakPolarHBondContact OD1-CB 3.25Å; D141-F143 PolarHBondContact OD1-N 3.46Å; D141-E144 WeakPolarHBondContact OD1-CG 3.43Å; D141-E144 PolarHBondContact OD1-N 3.1Å; D141-R145 VanDerWaalsContact O-CG 3.31Å; D141-R145 WeakPolarHBondContact O-CG 3.45Å; D141-R145 PolarHBondContact O-N 2.78Å
142T91.8Very high91.4Very high116 Ų11675.7 Ų75.771%0.71237%0.369SS*.Hα-helixtrans-67.6-34.2179.749.10000112.5F146T142-F146 WeakPolarHBondContact O-CB 3.32Å; T142-F146 PolarHBondContact O-N 3.29Å; T142-F146 VanDerWaalsContact O-N 3.1Å
143F91.6Very high90.9Very high57 Ų5779 Ų7925%0.2539%0.386CS..Hα-helixtrans-70.6-50.5-179.7168.6-96.6000111D141 R145 F146 A147 K164 F168D141-F143 VanDerWaalsContact C-N 3.34Å; D141-F143 WeakPolarHBondContact OD1-CA 3.44Å; D141-F143 WeakPolarHBondContact OD1-CB 3.25Å; D141-F143 PolarHBondContact OD1-N 3.46Å; F143-R145 VanDerWaalsContact C-N 3.29Å; F143-R145 PolarHBondContact O-N 3.43Å; F143-F146 WeakPolarHBondContact O-CB 3.47Å; F143-F146 PolarHBondContact O-N 3.18Å; F143-F146 VanDerWaalsContact O-N 3.11Å; F143-A147 HydrophobicContact CZ-CB 4.49Å; F143-A147 WeakPolarHBondContact O-CB 3.28Å; F143-A147 PolarHBondContact O-N 3.03Å; F143-K164 HydrophobicContact CE2-CB 4.13Å; F143-K164 HydrophobicContact CZ-CB 3.82Å; F143-F168 HydrophobicContact CE1-CB 3.87Å; F143-F168 HydrophobicContact CE1-CD1 4.21Å; F143-F168 HydrophobicContact CE1-CG 4.09Å; F143-F168 HydrophobicContact CZ-CB 4.5Å
144E94.4Very high90.6Very high10 Ų1073 Ų735%0.04736%0.357CS..Hα-helixtrans-58.3-42.7178.8-67-167.7158.800110.9Y137 G139 K140 D141 A147 I148 F168 K175Y137-E144 WeakPolarHBondContact CE1-OE2 3.44Å; Y137-E144 VanDerWaalsContact CZ-OE2 3.25Å; Y137-E144 VanDerWaalsContact OH-CD 3.25Å; Y137-E144 PolarHBondContact OH-OE1 2.7Å; Y137-E144 VanDerWaalsContact OH-OE1 3.13Å; Y137-E144 PolarHBondContact OH-OE2 2.93Å; G139-E144 VanDerWaalsContact CA-OE2 3.3Å; G139-E144 WeakPolarHBondContact CA-OE2 3.37Å; K140-E144 PolarHBondContact N-OE2 3.16Å; D141-E144 WeakPolarHBondContact OD1-CG 3.43Å; D141-E144 PolarHBondContact OD1-N 3.1Å; E144-A147 PolarHBondContact O-N 3.13Å; E144-I148 WeakPolarHBondContact O-CB 3.48Å; E144-I148 WeakPolarHBondContact O-CD1 3.29Å; E144-I148 WeakPolarHBondContact O-CG1 3.27Å; E144-I148 PolarHBondContact O-N 3.38Å; E144-F168 HydrophobicContact CB-CE1 4.23Å; E144-F168 HydrophobicContact CB-CE2 3.97Å; E144-F168 HydrophobicContact CB-CZ 3.65Å; E144-F168 VanDerWaalsContact CD-CE2 3.45Å; E144-F168 HydrophobicContact CG-CD2 3.93Å; E144-F168 HydrophobicContact CG-CE1 4.37Å; E144-F168 HydrophobicContact CG-CE2 3.38Å; E144-F168 HydrophobicContact CG-CZ 3.64Å; E144-F168 WeakPolarHBondContact OE1-CE2 3.43Å; E144-K175 IonicContact OE1-NZ 3.61Å; E144-K175 PolarHBondContact OE1-NZ 2.86Å; E144-K175 VanDerWaalsContact OE1-NZ 3.07Å
145R93.6Very high90.4Very high127 Ų12776.5 Ų76.548%0.47938%0.378SS..Hα-helixtrans-61-45.5175.7-75.4176.4-153.8140.110.1112.1K138 K140 D141 F143 I148 E149K138-R145 VanDerWaalsContact O-CG 3.23Å; K138-R145 WeakPolarHBondContact O-CG 3.31Å; K140-R145 PolarHBondContact O-NH2 3.36Å; D141-R145 VanDerWaalsContact O-CG 3.31Å; D141-R145 WeakPolarHBondContact O-CG 3.45Å; D141-R145 PolarHBondContact O-N 2.78Å; F143-R145 VanDerWaalsContact C-N 3.29Å; F143-R145 PolarHBondContact O-N 3.43Å; R145-I148 PolarHBondContact O-N 2.99Å; R145-E149 WeakPolarHBondContact O-CB 3.43Å; R145-E149 PolarHBondContact O-N 3.32Å
146F91.1Very high90.2Very high91 Ų9178.5 Ų78.540%0.39939%0.392SS..Hα-helixtrans-63-45.1177.6178.9-96.3000111.5T142 F143 I148 E149 C150 P154T142-F146 WeakPolarHBondContact O-CB 3.32Å; T142-F146 PolarHBondContact O-N 3.29Å; T142-F146 VanDerWaalsContact O-N 3.1Å; F143-F146 WeakPolarHBondContact O-CB 3.47Å; F143-F146 PolarHBondContact O-N 3.18Å; F143-F146 VanDerWaalsContact O-N 3.11Å; F146-I148 VanDerWaalsContact C-N 3.33Å; F146-I148 PolarHBondContact O-N 3.44Å; F146-E149 PolarHBondContact O-N 3.08Å; F146-C150 WeakPolarHBondContact O-CA 3.46Å; F146-C150 PolarHBondContact O-N 2.94Å; F146-P154 HydrophobicContact CE1-CG 4.46Å
147A92.1Very high90.3Very high0 Ų072.4 Ų72.40%036%0.36CS..Hα-helixtrans-61.6-38.2177.300000112.8F143 E144 M165 F168F143-A147 HydrophobicContact CZ-CB 4.49Å; F143-A147 WeakPolarHBondContact O-CB 3.28Å; F143-A147 PolarHBondContact O-N 3.03Å; E144-A147 PolarHBondContact O-N 3.13Å; A147-M165 HydrophobicContact CB-CE 3.97Å; A147-M165 HydrophobicContact CB-SD 3.67Å; A147-F168 HydrophobicContact CB-CD1 3.74Å; A147-F168 HydrophobicContact CB-CE1 3.74Å
148I93.2Very high90.2Very high26 Ų2671.5 Ų71.513%0.13336%0.36CS..Hα-helixtrans-71.6-45.9177.5-67.5162.4000111.5I128 R129 A132 Y137 E144 R145 F146 F168I128-I148 HydrophobicContact CG2-CG1 3.87Å; R129-I148 PolarHBondContact NE-O 3.45Å; A132-I148 HydrophobicContact CB-CD1 3.97Å; A132-I148 HydrophobicContact CB-CG1 3.85Å; A132-I148 HydrophobicContact CB-CG2 3.86Å; Y137-I148 HydrophobicContact CD1-CD1 3.86Å; Y137-I148 HydrophobicContact CE1-CD1 4.21Å; E144-I148 WeakPolarHBondContact O-CB 3.48Å; E144-I148 WeakPolarHBondContact O-CD1 3.29Å; E144-I148 WeakPolarHBondContact O-CG1 3.27Å; E144-I148 PolarHBondContact O-N 3.38Å; R145-I148 PolarHBondContact O-N 2.99Å; F146-I148 VanDerWaalsContact C-N 3.33Å; F146-I148 PolarHBondContact O-N 3.44Å; I148-F168 HydrophobicContact CD1-CZ 4.29Å; I148-F168 HydrophobicContact CG1-CE1 4.21Å; I148-F168 HydrophobicContact CG1-CZ 4.29Å
149E90.7Very high90.2Very high107 Ų10766.5 Ų66.550%0.535%0.345SS..Hα-helixtrans-69.3-47.3-178.1-161.7177.9-149.100110.6R129 R145 F146 K151R129-E149 PolarHBondContact NH2-O 3.37Å; R145-E149 WeakPolarHBondContact O-CB 3.43Å; R145-E149 PolarHBondContact O-N 3.32Å; F146-E149 PolarHBondContact O-N 3.08Å; E149-K151 HydrophobicContact CG-CD 4.45Å; E149-K151 HydrophobicContact CG-CG 4.06Å; E149-K151 PolarHBondContact O-N 2.87Å; E149-K151 WeakPolarHBondContact OE1-CE 3.43Å; E149-K151 IonicContact OE1-NZ 2.93Å; E149-K151 PolarHBondContact OE1-NZ 2.63Å; E149-K151 WeakPolarHBondContact OE2-CE 3.48Å; E149-K151 IonicContact OE2-NZ 3.16Å; E149-K151 PolarHBondContact OE2-NZ 2.93Å
150C84Confident90.3Very high8 Ų872 Ų725%0.05437%0.367CS..  trans33.870.7179.7-173.40000113.1A125 R129 F146A125-C150 HydrophobicContact CB-CB 3.74Å; A125-C150 WeakPolarHBondContact CB-SG 3.49Å; R129-C150 PolarHBondContact NH2-O 3.34Å; F146-C150 WeakPolarHBondContact O-CA 3.46Å; F146-C150 PolarHBondContact O-N 2.94Å
151K79.6Confident90.3Very high142 Ų14266.5 Ų66.562%0.61734%0.344SS*.  trans-73.2-41177.6-70.6177173.9138.10112.3E149E149-K151 HydrophobicContact CG-CD 4.45Å; E149-K151 HydrophobicContact CG-CG 4.06Å; E149-K151 PolarHBondContact O-N 2.87Å; E149-K151 WeakPolarHBondContact OE1-CE 3.43Å; E149-K151 IonicContact OE1-NZ 2.93Å; E149-K151 PolarHBondContact OE1-NZ 2.63Å; E149-K151 WeakPolarHBondContact OE2-CE 3.48Å; E149-K151 IonicContact OE2-NZ 3.16Å; E149-K151 PolarHBondContact OE2-NZ 2.93Å
152D84Confident90.3Very high120 Ų12064.2 Ų64.264%0.64233%0.332SS*.SBendtrans-138.9161.2-171-60.7-62.1000111.1
153I86.3Confident90.5Very high72 Ų7264.5 Ų64.537%0.36933%0.325SS..  trans-70.2134.9171.2-60.7158.2000107.9T118 L122T118-I153 HydrophobicContact CG2-CD1 3.43Å; T118-I153 VanDerWaalsContact CG2-CD1 3.43Å; T118-I153 HydrophobicContact CG2-CG1 4.17Å; L122-I153 HydrophobicContact CD2-CG1 4.21Å
154P86.9Confident90.6Very high19 Ų1966.5 Ų66.512%0.12333%0.333CS..  trans-55.8146.6175.9-22.631.3000111.4Y121 F146 V156Y121-P154 HydrophobicContact CE1-CG 4.16Å; Y121-P154 HydrophobicContact CE2-CG 3.73Å; Y121-P154 VanDerWaalsContact CZ-CD 3.4Å; Y121-P154 WeakPolarHBondContact OH-CG 2.97Å; F146-P154 HydrophobicContact CE1-CG 4.46Å; P154-V156 PolarHBondContact O-N 3.48Å; P154-V156 VanDerWaalsContact O-N 3.13Å
155P86.4Confident90.7Very high123 Ų12366 Ų6680%0.79933%0.331SS*.SBendtrans-56.5-30.4176.2-25.633.8000113.6
156V91.5Very high90.8Very high68 Ų6862 Ų6241%0.41232%0.322SS..  trans-126.6119.4176.2-177.80000109.1Q81 P154Q81-V156 CarbonylContact O-C 3.53Å; Q81-V156 WeakPolarHBondContact O-CA 3.47Å; P154-V156 PolarHBondContact O-N 3.48Å; P154-V156 VanDerWaalsContact O-N 3.13Å
157L92.6Very high91.1Very high0 Ų062.7 Ų62.70%033%0.327CS..  trans-108.572.9179.3-167.162.5000110.7Q81 F114 R117 Y121 L162Q81-L157 PolarHBondContact O-N 3.33Å; F114-L157 HydrophobicContact CE2-CB 4.38Å; R117-L157 VanDerWaalsContact C-CD2 3.48Å; R117-L157 HydrophobicContact CB-CD2 3.7Å; R117-L157 HydrophobicContact CB-CG 4.19Å; R117-L157 PolarHBondContact NH1-O 2.9Å; Y121-L157 HydrophobicContact CD2-CD1 3.53Å; Y121-L157 HydrophobicContact CE2-CD1 4.21Å; Y121-L157 HydrophobicContact CG-CD1 3.84Å; L157-L162 HydrophobicContact CD1-CD2 4.19Å; L157-L162 HydrophobicContact CD1-CG 4.37Å
158S92.9Very high91.3Very high25 Ų2562.9 Ų62.918%0.17533%0.328CS..  trans-75.3163177.2710000112.4M82 E160 E161 L162M82-S158 VanDerWaalsContact O-CA 3.26Å; M82-S158 WeakPolarHBondContact O-CA 3.42Å; S158-E160 PolarHBondContact O-N 2.92Å; S158-E161 PolarHBondContact O-N 3Å; S158-E161 PolarHBondContact OG-N 3.38Å; S158-L162 PolarHBondContact O-N 2.76Å
159S93.1Very high91.5Very high56 Ų5662.1 Ų62.139%0.39232%0.324SS..Hα-helixtrans-57.4-40.7171.6-1660000111.2E161 L162 E163S159-E161 VanDerWaalsContact C-N 3.29Å; S159-E161 PolarHBondContact O-N 3.25Å; S159-L162 PolarHBondContact O-N 3.47Å; S159-E163 WeakPolarHBondContact O-CG 3.47Å; S159-E163 PolarHBondContact O-N 2.86Å; S159-E163 PolarHBondContact OG-OE1 3.4Å
160E93.4Very high91.8Very high128 Ų12863.5 Ų63.560%0.59833%0.328SS*.Hα-helixtrans-60.9-37.2178.2-61.7-179.5-178.300112.3S158 E163 K164S158-E160 PolarHBondContact O-N 2.92Å; E160-E163 PolarHBondContact O-N 3.39Å; E160-K164 WeakPolarHBondContact O-CG 3.27Å; E160-K164 PolarHBondContact O-N 3.31Å
161E92.5Very high92.4Very high31 Ų3167 Ų6715%0.14534%0.344CS..Hα-helixtrans-69.2-39.8179.3-16657.1-15200111.8S158 S159 E163 K164 M165S158-E161 PolarHBondContact O-N 3Å; S158-E161 PolarHBondContact OG-N 3.38Å; S159-E161 VanDerWaalsContact C-N 3.29Å; S159-E161 PolarHBondContact O-N 3.25Å; E161-E163 VanDerWaalsContact C-N 3.33Å; E161-K164 PolarHBondContact O-N 3.37Å; E161-K164 IonicContact OE2-NZ 2.63Å; E161-K164 PolarHBondContact OE2-NZ 3.3Å; E161-M165 PolarHBondContact O-N 2.93Å
162L94.3Very high93.2Very high23 Ų2360.2 Ų60.212%0.1231%0.314CS..Hα-helixtrans-63.5-39.4171.8-70.8173.7000112R117 C120 Y121 L157 S158 S159 M165 S166R117-L162 HydrophobicContact CB-CD1 3.85Å; R117-L162 HydrophobicContact CG-CD1 3.59Å; C120-L162 HydrophobicContact CB-CD2 4.45Å; Y121-L162 HydrophobicContact CD2-CD2 4.2Å; Y121-L162 HydrophobicContact CG-CD2 4.5Å; L157-L162 HydrophobicContact CD1-CD2 4.19Å; L157-L162 HydrophobicContact CD1-CG 4.37Å; S158-L162 PolarHBondContact O-N 2.76Å; S159-L162 PolarHBondContact O-N 3.47Å; L162-M165 PolarHBondContact O-N 3.49Å; L162-S166 VanDerWaalsContact O-CB 3.31Å; L162-S166 WeakPolarHBondContact O-CB 3.3Å; L162-S166 PolarHBondContact O-N 2.83Å
163E95.8Very high93.9Very high122 Ų12258.3 Ų58.357%0.5730%0.3SS*.Hα-helixtrans-64.2-43.3176.3-75.3171.1-152.400111.8S159 E160 E161 S166 H167S159-E163 WeakPolarHBondContact O-CG 3.47Å; S159-E163 PolarHBondContact O-N 2.86Å; S159-E163 PolarHBondContact OG-OE1 3.4Å; E160-E163 PolarHBondContact O-N 3.39Å; E161-E163 VanDerWaalsContact C-N 3.33Å; E163-S166 PolarHBondContact O-N 3.31Å; E163-H167 WeakPolarHBondContact O-CB 3.28Å; E163-H167 PolarHBondContact O-N 3.22Å
164K94.5Very high94.4Very high98 Ų9859.1 Ų59.143%0.42631%0.308SS..Hα-helixtrans-59.8-46.3173.4-71.5172.6-162.51620111.6F143 E160 E161 S166 H167 F168F143-K164 HydrophobicContact CE2-CB 4.13Å; F143-K164 HydrophobicContact CZ-CB 3.82Å; E160-K164 WeakPolarHBondContact O-CG 3.27Å; E160-K164 PolarHBondContact O-N 3.31Å; E161-K164 PolarHBondContact O-N 3.37Å; E161-K164 IonicContact OE2-NZ 2.63Å; E161-K164 PolarHBondContact OE2-NZ 3.3Å; K164-S166 PolarHBondContact O-N 2.94Å; K164-H167 PolarHBondContact O-N 2.89Å; K164-F168 WeakPolarHBondContact O-CB 3.4Å; K164-F168 PolarHBondContact O-N 3.2Å
165M95.3Very high94.8Very high0 Ų060.7 Ų60.70%031%0.313CS..Hα-helixtrans-62.6-43.3178-165.867.580.900111.4Y121 L124 I128 A147 E161 L162 F168 L169Y121-M165 HydrophobicContact CD2-CE 4.04Å; Y121-M165 HydrophobicContact CE1-CE 4.37Å; Y121-M165 HydrophobicContact CE2-CE 3.21Å; Y121-M165 WeakPolarHBondContact OH-CE 3.49Å; L124-M165 HydrophobicContact CB-CG 3.67Å; L124-M165 HydrophobicContact CD1-CB 4.12Å; L124-M165 HydrophobicContact CD1-CG 4.05Å; L124-M165 HydrophobicContact CG-CG 4.49Å; I128-M165 HydrophobicContact CD1-CG 3.74Å; I128-M165 HydrophobicContact CD1-SD 3.23Å; I128-M165 WeakPolarHBondContact CD1-SD 3.12Å; A147-M165 HydrophobicContact CB-CE 3.97Å; A147-M165 HydrophobicContact CB-SD 3.67Å; E161-M165 PolarHBondContact O-N 2.93Å; L162-M165 PolarHBondContact O-N 3.49Å; M165-F168 PolarHBondContact O-N 2.97Å; M165-L169 PolarHBondContact O-N 2.88Å
166S97Very high95.3Very high42 Ų4256.5 Ų56.529%0.29428%0.283SS..Hα-helixtrans-63.8-42.3176.3-172.10000112.2L162 E163 K164 L169 K170L162-S166 VanDerWaalsContact O-CB 3.31Å; L162-S166 WeakPolarHBondContact O-CB 3.3Å; L162-S166 PolarHBondContact O-N 2.83Å; E163-S166 PolarHBondContact O-N 3.31Å; K164-S166 PolarHBondContact O-N 2.94Å; S166-L169 PolarHBondContact O-N 2.89Å; S166-K170 WeakPolarHBondContact O-CG 3.46Å; S166-K170 PolarHBondContact O-N 2.82Å; S166-K170 VanDerWaalsContact O-N 3.08Å
167H96.7Very high95.5Very high106 Ų10657.7 Ų57.749%0.49129%0.287SS..Hα-helixtrans-62.9-46.8176.1-175.5-91.8000111.3E163 K164 L169 K170 E171E163-H167 WeakPolarHBondContact O-CB 3.28Å; E163-H167 PolarHBondContact O-N 3.22Å; K164-H167 PolarHBondContact O-N 2.89Å; H167-L169 VanDerWaalsContact C-N 3.34Å; H167-L169 PolarHBondContact O-N 3.49Å; H167-K170 WeakPolarHBondContact O-CB 3.4Å; H167-K170 PolarHBondContact O-N 3.12Å; H167-K170 VanDerWaalsContact O-N 3.1Å; H167-E171 IonicContact CE1-OE1 3Å; H167-E171 PolarHBondContact CE1-OE1 2.61Å; H167-E171 IonicContact ND1-OE1 2.8Å; H167-E171 PolarHBondContact O-N 3.38Å
168F96.7Very high95.7Very high5 Ų563.3 Ų63.32%0.02232%0.316CS..Hα-helixtrans-62.3-40.8178177.8-132.3000112.4I128 Y137 F143 E144 A147 I148 K164 M165 K170 E171 L172I128-F168 HydrophobicContact CD1-CD1 3.8Å; I128-F168 HydrophobicContact CD1-CE1 4.37Å; I128-F168 HydrophobicContact CG1-CD1 4.32Å; I128-F168 HydrophobicContact CG2-CD1 4.09Å; I128-F168 HydrophobicContact CG2-CE1 3.54Å; I128-F168 HydrophobicContact CG2-CZ 4.4Å; Y137-F168 HydrophobicContact CE1-CZ 4.38Å; F143-F168 HydrophobicContact CE1-CB 3.87Å; F143-F168 HydrophobicContact CE1-CD1 4.21Å; F143-F168 HydrophobicContact CE1-CG 4.09Å; F143-F168 HydrophobicContact CZ-CB 4.5Å; E144-F168 HydrophobicContact CB-CE1 4.23Å; E144-F168 HydrophobicContact CB-CE2 3.97Å; E144-F168 HydrophobicContact CB-CZ 3.65Å; E144-F168 VanDerWaalsContact CD-CE2 3.45Å; E144-F168 HydrophobicContact CG-CD2 3.93Å; E144-F168 HydrophobicContact CG-CE1 4.37Å; E144-F168 HydrophobicContact CG-CE2 3.38Å; E144-F168 HydrophobicContact CG-CZ 3.64Å; E144-F168 WeakPolarHBondContact OE1-CE2 3.43Å; A147-F168 HydrophobicContact CB-CD1 3.74Å; A147-F168 HydrophobicContact CB-CE1 3.74Å; I148-F168 HydrophobicContact CD1-CZ 4.29Å; I148-F168 HydrophobicContact CG1-CE1 4.21Å; I148-F168 HydrophobicContact CG1-CZ 4.29Å; K164-F168 WeakPolarHBondContact O-CB 3.4Å; K164-F168 PolarHBondContact O-N 3.2Å; M165-F168 PolarHBondContact O-N 2.97Å; F168-K170 VanDerWaalsContact C-N 3.31Å; F168-K170 PolarHBondContact O-N 2.94Å; F168-E171 PolarHBondContact O-N 2.78Å; F168-L172 HydrophobicContact CZ-CD2 4.41Å; F168-L172 VanDerWaalsContact O-CB 3.29Å; F168-L172 WeakPolarHBondContact O-CB 3.28Å; F168-L172 PolarHBondContact O-N 2.82Å
169L97.3Very high95.8Very high9 Ų965.1 Ų65.15%0.04732%0.321CS..Hα-helixtrans-58.3-43.2172.4176.863.6000111.8L124 E127 I128 L131 M165 S166 H167 L172 K173L124-L169 HydrophobicContact CD2-CD2 3.5Å; E127-L169 HydrophobicContact CB-CD1 4.06Å; E127-L169 HydrophobicContact CG-CD1 3.78Å; E127-L169 HydrophobicContact CG-CD2 4.47Å; E127-L169 WeakPolarHBondContact OE2-CD2 3.39Å; I128-L169 HydrophobicContact CD1-CB 4.11Å; I128-L169 HydrophobicContact CG1-CB 3.89Å; I128-L169 HydrophobicContact CG1-CD1 3.83Å; I128-L169 HydrophobicContact CG1-CG 4.42Å; L131-L169 HydrophobicContact CD1-CD1 3.81Å; M165-L169 PolarHBondContact O-N 2.88Å; S166-L169 PolarHBondContact O-N 2.89Å; H167-L169 VanDerWaalsContact C-N 3.34Å; H167-L169 PolarHBondContact O-N 3.49Å; L169-L172 PolarHBondContact O-N 3.18Å; L169-K173 HydrophobicContact CD1-CG 4.41Å; L169-K173 HydrophobicContact CG-CD 4.44Å; L169-K173 WeakPolarHBondContact O-CG 3.37Å; L169-K173 PolarHBondContact O-N 3.35Å
170K97.4Very high95.9Very high137 Ų13764.7 Ų64.760%0.59631%0.314SS*.Hα-helixtrans-61.3-46.8176.9-71.4171.9-176.3174.40111.5S166 H167 F168 L172 K173 V174S166-K170 WeakPolarHBondContact O-CG 3.46Å; S166-K170 PolarHBondContact O-N 2.82Å; S166-K170 VanDerWaalsContact O-N 3.08Å; H167-K170 WeakPolarHBondContact O-CB 3.4Å; H167-K170 PolarHBondContact O-N 3.12Å; H167-K170 VanDerWaalsContact O-N 3.1Å; F168-K170 VanDerWaalsContact C-N 3.31Å; F168-K170 PolarHBondContact O-N 2.94Å; K170-L172 VanDerWaalsContact C-N 3.33Å; K170-L172 PolarHBondContact O-N 3.07Å; K170-K173 PolarHBondContact O-N 3.11Å; K170-V174 PolarHBondContact O-N 3.43Å
171E96.7Very high96Very high81 Ų8163 Ų6338%0.37931%0.306SS..Hα-helixtrans-62.3-41.1176.1-68.7-169.5161.500112.4H167 F168 K173 V174 K175H167-E171 IonicContact CE1-OE1 3Å; H167-E171 PolarHBondContact CE1-OE1 2.61Å; H167-E171 IonicContact ND1-OE1 2.8Å; H167-E171 PolarHBondContact O-N 3.38Å; F168-E171 PolarHBondContact O-N 2.78Å; E171-K173 VanDerWaalsContact C-N 3.33Å; E171-K173 PolarHBondContact O-N 3.16Å; E171-V174 PolarHBondContact O-N 2.9Å; E171-K175 WeakPolarHBondContact O-CG 3.37Å; E171-K175 PolarHBondContact O-N 3.47Å
172L96.8Very high96.2Very high0 Ų066 Ų660%032%0.32CS..Hα-helixtrans-67.3-35.7-179.1-166.965.7000111.7I128 L131 A132 M135 Y137 F168 L169 K170 K175 H176I128-L172 HydrophobicContact CB-CD2 4.34Å; I128-L172 HydrophobicContact CG2-CD2 3.95Å; I128-L172 WeakPolarHBondContact O-CD2 3.18Å; L131-L172 HydrophobicContact CB-CD2 3.92Å; L131-L172 HydrophobicContact CB-CG 4.22Å; A132-L172 HydrophobicContact CB-CD2 4.32Å; M135-L172 HydrophobicContact CE-CD1 3.51Å; M135-L172 HydrophobicContact CE-CG 3.76Å; Y137-L172 HydrophobicContact CD1-CD1 3.73Å; Y137-L172 HydrophobicContact CE1-CD1 3.98Å; Y137-L172 HydrophobicContact CG-CD1 4.33Å; F168-L172 HydrophobicContact CZ-CD2 4.41Å; F168-L172 VanDerWaalsContact O-CB 3.29Å; F168-L172 WeakPolarHBondContact O-CB 3.28Å; F168-L172 PolarHBondContact O-N 2.82Å; L169-L172 PolarHBondContact O-N 3.18Å; K170-L172 VanDerWaalsContact C-N 3.33Å; K170-L172 PolarHBondContact O-N 3.07Å; L172-K175 HydrophobicContact CD1-CD 4.38Å; L172-K175 PolarHBondContact O-N 2.89Å; L172-H176 WeakPolarHBondContact O-CB 3.37Å; L172-H176 PolarHBondContact O-N 2.94Å
173K97.6Very high96.3Very high80 Ų8066 Ų6635%0.34832%0.32SS..Hα-helixtrans-60.4-45.3170.8-76.3177.9178.3-178.20111.9E127 L131 L169 K170 E171 K175 H176 D177E127-K173 WeakPolarHBondContact OE1-CE 3.41Å; E127-K173 IonicContact OE1-NZ 3.48Å; E127-K173 PolarHBondContact OE1-NZ 3.11Å; E127-K173 IonicContact OE2-NZ 3.53Å; L131-K173 HydrophobicContact CD1-CG 3.68Å; L169-K173 HydrophobicContact CD1-CG 4.41Å; L169-K173 HydrophobicContact CG-CD 4.44Å; L169-K173 WeakPolarHBondContact O-CG 3.37Å; L169-K173 PolarHBondContact O-N 3.35Å; K170-K173 PolarHBondContact O-N 3.11Å; E171-K173 VanDerWaalsContact C-N 3.33Å; E171-K173 PolarHBondContact O-N 3.16Å; K173-K175 VanDerWaalsContact C-N 3.34Å; K173-K175 PolarHBondContact O-N 3.43Å; K173-H176 WeakPolarHBondContact O-CB 3.3Å; K173-H176 PolarHBondContact O-N 3.46Å; K173-H176 VanDerWaalsContact O-N 3.15Å; K173-D177 PolarHBondContact O-N 2.98Å
174V97.3Very high96.3Very high88 Ų8864.6 Ų64.653%0.53331%0.312SS..Hα-helixtrans-61.1-44.1175.6175.70000111.1K170 E171 H176 D177 L178K170-V174 PolarHBondContact O-N 3.43Å; E171-V174 PolarHBondContact O-N 2.9Å; V174-H176 VanDerWaalsContact C-N 3.3Å; V174-H176 PolarHBondContact O-N 2.64Å; V174-D177 PolarHBondContact O-N 3.37Å; V174-L178 HydrophobicContact CG1-CD1 4.37Å; V174-L178 WeakPolarHBondContact O-CG 3.38Å; V174-L178 PolarHBondContact O-N 2.93Å; V174-L178 VanDerWaalsContact O-N 3.1Å
175K95.5Very high96.4Very high53 Ų5365.5 Ų65.523%0.2332%0.316CS..Hα-helixtrans-60.6-40.8175.1-68.8171.2-170.4162.50111.5M135 Y137 E144 E171 L172 K173 L178 F179M135-K175 HydrophobicContact SD-CB 4.43Å; Y137-K175 PolarHBondContact OH-NZ 3.07Å; Y137-K175 VanDerWaalsContact OH-NZ 3.11Å; E144-K175 IonicContact OE1-NZ 3.61Å; E144-K175 PolarHBondContact OE1-NZ 2.86Å; E144-K175 VanDerWaalsContact OE1-NZ 3.07Å; E171-K175 WeakPolarHBondContact O-CG 3.37Å; E171-K175 PolarHBondContact O-N 3.47Å; L172-K175 HydrophobicContact CD1-CD 4.38Å; L172-K175 PolarHBondContact O-N 2.89Å; K173-K175 VanDerWaalsContact C-N 3.34Å; K173-K175 PolarHBondContact O-N 3.43Å; K175-L178 PolarHBondContact O-N 3.38Å; K175-F179 WeakPolarHBondContact O-CB 3.29Å; K175-F179 PolarHBondContact O-N 3.47Å
176H96.5Very high96.5Very high34 Ų3469.1 Ų69.116%0.15733%0.334CS..Hα-helixtrans-63.7-44.3177.4179.1-92.4000112.7L131 S134 M135 L172 K173 V174 L178 F179 L180L131-H176 HydrophobicContact CD2-CB 4.31Å; S134-H176 PolarHBondContact OG-CD2 2.66Å; S134-H176 PolarHBondContact OG-NE2 3.39Å; M135-H176 HydrophobicContact CE-CB 3.78Å; M135-H176 HydrophobicContact CG-CB 4.46Å; M135-H176 WeakPolarHBondContact SD-CA 3.21Å; M135-H176 HydrophobicContact SD-CB 3.69Å; M135-H176 PolarHBondContact SD-N 3.28Å; L172-H176 WeakPolarHBondContact O-CB 3.37Å; L172-H176 PolarHBondContact O-N 2.94Å; K173-H176 WeakPolarHBondContact O-CB 3.3Å; K173-H176 PolarHBondContact O-N 3.46Å; K173-H176 VanDerWaalsContact O-N 3.15Å; V174-H176 VanDerWaalsContact C-N 3.3Å; V174-H176 PolarHBondContact O-N 2.64Å; H176-L178 VanDerWaalsContact C-N 3.35Å; H176-L178 PolarHBondContact O-N 3.49Å; H176-F179 WeakPolarHBondContact O-CB 3.42Å; H176-F179 PolarHBondContact O-N 3.43Å; H176-L180 WeakPolarHBondContact CE1-CD1 3.41Å; H176-L180 WeakPolarHBondContact O-CG 3.45Å; H176-L180 PolarHBondContact O-N 2.8Å
177D96.1Very high96.4Very high93 Ų9367.5 Ų67.550%0.49732%0.323SS..Hα-helixtrans-63.5-43177.6-66.3-20.6000111.2K173 V174 F179 L180 E181K173-D177 PolarHBondContact O-N 2.98Å; V174-D177 PolarHBondContact O-N 3.37Å; D177-F179 VanDerWaalsContact C-N 3.34Å; D177-F179 PolarHBondContact O-N 3.34Å; D177-L180 PolarHBondContact O-N 2.94Å; D177-E181 WeakPolarHBondContact O-CG 3.29Å; D177-E181 PolarHBondContact O-N 2.8Å
178L96.2Very high96.4Very high118 Ų11865.2 Ų65.262%0.61832%0.322SS*.Hα-helixtrans-61.3-41.3174.2-69.7173.6000112.3V174 K175 H176 E181 E182V174-L178 HydrophobicContact CG1-CD1 4.37Å; V174-L178 WeakPolarHBondContact O-CG 3.38Å; V174-L178 PolarHBondContact O-N 2.93Å; V174-L178 VanDerWaalsContact O-N 3.1Å; K175-L178 PolarHBondContact O-N 3.38Å; H176-L178 VanDerWaalsContact C-N 3.35Å; H176-L178 PolarHBondContact O-N 3.49Å; L178-E181 PolarHBondContact O-N 3.43Å; L178-E182 PolarHBondContact O-N 2.88Å
179F96Very high96.5Very high63 Ų6370.6 Ų70.628%0.27635%0.351SS..Hα-helixtrans-62-44.7175.6172-103.6000111.9M135 K175 H176 D177 E182 L183M135-F179 HydrophobicContact CB-CD1 4.35Å; M135-F179 HydrophobicContact CB-CE1 4.45Å; M135-F179 HydrophobicContact CG-CB 4.23Å; M135-F179 HydrophobicContact CG-CD1 3.67Å; M135-F179 HydrophobicContact CG-CE1 4.14Å; M135-F179 HydrophobicContact CG-CG 3.96Å; M135-F179 HydrophobicContact SD-CB 4.17Å; K175-F179 WeakPolarHBondContact O-CB 3.29Å; K175-F179 PolarHBondContact O-N 3.47Å; H176-F179 WeakPolarHBondContact O-CB 3.42Å; H176-F179 PolarHBondContact O-N 3.43Å; D177-F179 VanDerWaalsContact C-N 3.34Å; D177-F179 PolarHBondContact O-N 3.34Å; F179-E182 PolarHBondContact O-N 3.15Å; F179-L183 HydrophobicContact CD1-CD1 3.92Å; F179-L183 HydrophobicContact CE1-CD1 3.3Å; F179-L183 HydrophobicContact CE1-CG 4.16Å; F179-L183 HydrophobicContact CE2-CD1 4.14Å; F179-L183 HydrophobicContact CE2-CG 4.2Å; F179-L183 HydrophobicContact CZ-CD1 3.44Å; F179-L183 VanDerWaalsContact CZ-CD1 3.44Å; F179-L183 HydrophobicContact CZ-CD2 4.41Å; F179-L183 HydrophobicContact CZ-CG 3.99Å; F179-L183 WeakPolarHBondContact O-CG 3.44Å; F179-L183 PolarHBondContact O-N 3.4Å
180L95.1Very high96.5Very high47 Ų4771 Ų7125%0.24635%0.352CS..Hα-helixtrans-64.5-40.4176.9-70.5-174.9000112.4H176 D177 E182 L183 K184 L220H176-L180 WeakPolarHBondContact CE1-CD1 3.41Å; H176-L180 WeakPolarHBondContact O-CG 3.45Å; H176-L180 PolarHBondContact O-N 2.8Å; D177-L180 PolarHBondContact O-N 2.94Å; L180-E182 VanDerWaalsContact C-N 3.33Å; L180-L183 PolarHBondContact O-N 2.93Å; L180-K184 VanDerWaalsContact O-CG 3.29Å; L180-K184 WeakPolarHBondContact O-CG 3.41Å; L180-K184 PolarHBondContact O-N 3.33Å; L180-L220 HydrophobicContact CB-CD1 4.44Å; L180-L220 HydrophobicContact CD2-CD1 4.04Å
181E96Very high96.4Very high92 Ų9267.6 Ų67.643%0.4334%0.34SS..Hα-helixtrans-63-39.9175.6-74.2-55.6128.300112D177 L178 K184 K185D177-E181 WeakPolarHBondContact O-CG 3.29Å; D177-E181 PolarHBondContact O-N 2.8Å; L178-E181 PolarHBondContact O-N 3.43Å; E181-K184 PolarHBondContact O-N 3.09Å; E181-K184 IonicContact OE1-NZ 3.83Å; E181-K184 PolarHBondContact OE1-NZ 3.25Å; E181-K185 WeakPolarHBondContact O-CG 3.44Å; E181-K185 PolarHBondContact O-N 3.31Å; E181-K185 VanDerWaalsContact O-N 3.15Å
182E95.6Very high96.4Very high96 Ų9667.2 Ų67.245%0.44935%0.346SS..Hα-helixtrans-67.3-43.5175.5-167.256.5-152.900111.9L178 F179 L180 K184 K185 M186L178-E182 PolarHBondContact O-N 2.88Å; F179-E182 PolarHBondContact O-N 3.15Å; L180-E182 VanDerWaalsContact C-N 3.33Å; E182-K184 VanDerWaalsContact C-N 3.3Å; E182-K184 PolarHBondContact O-N 3.02Å; E182-K185 WeakPolarHBondContact O-CB 3.36Å; E182-K185 PolarHBondContact O-N 3.42Å; E182-K185 VanDerWaalsContact O-N 3.16Å; E182-K185 IonicContact OE2-NZ 2.69Å; E182-M186 WeakPolarHBondContact O-CG 3.43Å; E182-M186 PolarHBondContact O-N 3.15Å
183L95.5Very high96.4Very high22 Ų2269.9 Ų69.912%0.11536%0.359CS..Hα-helixtrans-58.9-40173.7-78.7-179.2000112.5F179 L180 K185 M186 C187F179-L183 HydrophobicContact CD1-CD1 3.92Å; F179-L183 HydrophobicContact CE1-CD1 3.3Å; F179-L183 HydrophobicContact CE1-CG 4.16Å; F179-L183 HydrophobicContact CE2-CD1 4.14Å; F179-L183 HydrophobicContact CE2-CG 4.2Å; F179-L183 HydrophobicContact CZ-CD1 3.44Å; F179-L183 VanDerWaalsContact CZ-CD1 3.44Å; F179-L183 HydrophobicContact CZ-CD2 4.41Å; F179-L183 HydrophobicContact CZ-CG 3.99Å; F179-L183 WeakPolarHBondContact O-CG 3.44Å; F179-L183 PolarHBondContact O-N 3.4Å; L180-L183 PolarHBondContact O-N 2.93Å; L183-K185 PolarHBondContact O-N 3.36Å; L183-M186 PolarHBondContact O-N 3.39Å; L183-C187 WeakPolarHBondContact O-CB 3.43Å; L183-C187 PolarHBondContact O-N 2.92Å; L183-C187 PolarHBondContact O-SG 3.06Å; L183-C187 VanDerWaalsContact O-SG 3.33Å
184K96.5Very high96.4Very high93 Ų9366.1 Ų66.140%0.40434%0.342SS..Hα-helixtrans-60.5-44.5175.4-75.8172.4-169.3171.20111.6L180 E181 E182 C187 A188 L220L180-K184 VanDerWaalsContact O-CG 3.29Å; L180-K184 WeakPolarHBondContact O-CG 3.41Å; L180-K184 PolarHBondContact O-N 3.33Å; E181-K184 PolarHBondContact O-N 3.09Å; E181-K184 IonicContact OE1-NZ 3.83Å; E181-K184 PolarHBondContact OE1-NZ 3.25Å; E182-K184 VanDerWaalsContact C-N 3.3Å; E182-K184 PolarHBondContact O-N 3.02Å; K184-C187 PolarHBondContact O-N 3.49Å; K184-A188 WeakPolarHBondContact O-CB 3.44Å; K184-A188 PolarHBondContact O-N 3.16Å; K184-L220 HydrophobicContact CD-CD1 4.41Å; K184-L220 HydrophobicContact CG-CD1 3.7Å; K184-L220 HydrophobicContact CG-CD2 3.72Å; K184-L220 HydrophobicContact CG-CG 4.39Å
185K97Very high96.3Very high116 Ų11663.8 Ų63.850%0.50433%0.332SS..Hα-helixtrans-62.8-45.5176.6-68.3173.6-167164.50111.2E181 E182 L183 C187 A188 L189E181-K185 WeakPolarHBondContact O-CG 3.44Å; E181-K185 PolarHBondContact O-N 3.31Å; E181-K185 VanDerWaalsContact O-N 3.15Å; E182-K185 WeakPolarHBondContact O-CB 3.36Å; E182-K185 PolarHBondContact O-N 3.42Å; E182-K185 VanDerWaalsContact O-N 3.16Å; E182-K185 IonicContact OE2-NZ 2.69Å; L183-K185 PolarHBondContact O-N 3.36Å; K185-C187 PolarHBondContact O-N 2.95Å; K185-A188 WeakPolarHBondContact O-CB 3.42Å; K185-A188 PolarHBondContact O-N 3.32Å; K185-A188 VanDerWaalsContact O-N 3.16Å; K185-L189 WeakPolarHBondContact O-CG 3.45Å; K185-L189 PolarHBondContact O-N 3.5Å
186M96.3Very high96.3Very high76 Ų7664.3 Ų64.337%0.37434%0.34SS..Hα-helixtrans-59.6-45.6177-71.1-59.6-64.400111.9E182 L183 A188 L189 K190E182-M186 WeakPolarHBondContact O-CG 3.43Å; E182-M186 PolarHBondContact O-N 3.15Å; L183-M186 PolarHBondContact O-N 3.39Å; M186-A188 VanDerWaalsContact C-N 3.34Å; M186-A188 PolarHBondContact O-N 2.95Å; M186-L189 PolarHBondContact O-N 2.9Å; M186-L189 HydrophobicContact SD-CD1 4.44Å; M186-K190 WeakPolarHBondContact O-CG 3.5Å; M186-K190 PolarHBondContact O-N 2.7Å
187C96.7Very high96.3Very high9 Ų963.3 Ų63.36%0.06134%0.336CS..Hα-helixtrans-59.8-42173.8-74.90000112.2L183 K184 K185 K190 L191 L227L183-C187 WeakPolarHBondContact O-CB 3.43Å; L183-C187 PolarHBondContact O-N 2.92Å; L183-C187 PolarHBondContact O-SG 3.06Å; L183-C187 VanDerWaalsContact O-SG 3.33Å; K184-C187 PolarHBondContact O-N 3.49Å; K185-C187 PolarHBondContact O-N 2.95Å; C187-K190 PolarHBondContact O-N 3.35Å; C187-L191 WeakPolarHBondContact O-CB 3.44Å; C187-L191 WeakPolarHBondContact O-CG 3.49Å; C187-L191 PolarHBondContact O-N 3.18Å; C187-L227 HydrophobicContact CB-CD1 3.84Å
188A96.4Very high96.3Very high58 Ų5859 Ų5948%0.47931%0.313SS..Hα-helixtrans-64-41.6177.700000112.2K184 K185 M186 L191 S192K184-A188 WeakPolarHBondContact O-CB 3.44Å; K184-A188 PolarHBondContact O-N 3.16Å; K185-A188 WeakPolarHBondContact O-CB 3.42Å; K185-A188 PolarHBondContact O-N 3.32Å; K185-A188 VanDerWaalsContact O-N 3.16Å; M186-A188 VanDerWaalsContact C-N 3.34Å; M186-A188 PolarHBondContact O-N 2.95Å; A188-L191 PolarHBondContact O-N 3.46Å; A188-S192 PolarHBondContact O-N 3.04Å
189L97.5Very high96.1Very high118 Ų11856.8 Ų56.862%0.61830%0.299SS*.Hα-helixtrans-62.4-46.2174.2-69.9174.9000111.4K185 M186 L191 S192 E193K185-L189 WeakPolarHBondContact O-CG 3.45Å; K185-L189 PolarHBondContact O-N 3.5Å; M186-L189 PolarHBondContact O-N 2.9Å; M186-L189 HydrophobicContact SD-CD1 4.44Å; L189-L191 PolarHBondContact O-N 3.06Å; L189-S192 WeakPolarHBondContact O-CB 3.29Å; L189-S192 PolarHBondContact O-N 3.36Å; L189-E193 PolarHBondContact O-N 3.39Å
190K97.6Very high96Very high18 Ų1859 Ų598%0.07831%0.309CS..Hα-helixtrans-62-40.8176.3-72.9174.1179171.40112.1M186 C187 S192 E193 I194 D224 L227 E228 I231M186-K190 WeakPolarHBondContact O-CG 3.5Å; M186-K190 PolarHBondContact O-N 2.7Å; C187-K190 PolarHBondContact O-N 3.35Å; K190-S192 VanDerWaalsContact C-N 3.34Å; K190-S192 PolarHBondContact O-N 3.49Å; K190-E193 WeakPolarHBondContact O-CB 2.79Å; K190-E193 PolarHBondContact O-N 3.37Å; K190-I194 VanDerWaalsContact O-CG1 3.31Å; K190-I194 WeakPolarHBondContact O-CG1 3.42Å; K190-I194 PolarHBondContact O-N 3.4Å; K190-D224 IonicContact NZ-OD1 2.81Å; K190-D224 PolarHBondContact NZ-OD1 3.06Å; K190-D224 IonicContact NZ-OD2 3.98Å; K190-D224 PolarHBondContact NZ-OD2 3.1Å; K190-L227 HydrophobicContact CB-CB 3.98Å; K190-L227 HydrophobicContact CB-CD1 4.16Å; K190-L227 HydrophobicContact CD-CB 4.09Å; K190-E228 HydrophobicContact CD-CG 4.07Å; K190-E228 VanDerWaalsContact CE-CG 3.49Å; K190-E228 WeakPolarHBondContact CE-OE1 3.14Å; K190-E228 VanDerWaalsContact NZ-CD 3.28Å; K190-E228 IonicContact NZ-OE1 3.66Å; K190-E228 PolarHBondContact NZ-OE1 3.39Å; K190-I231 HydrophobicContact CB-CD1 3.73Å; K190-I231 HydrophobicContact CD-CD1 4.49Å; K190-I231 HydrophobicContact CG-CD1 3.76Å
191L96.4Very high95.9Very high65 Ų6556.8 Ų56.834%0.3430%0.297SS..Hα-helixtrans-63.5-39174.5-80.5169000112.4C187 A188 L189 I194 A195 I215 L227C187-L191 WeakPolarHBondContact O-CB 3.44Å; C187-L191 WeakPolarHBondContact O-CG 3.49Å; C187-L191 PolarHBondContact O-N 3.18Å; A188-L191 PolarHBondContact O-N 3.46Å; L189-L191 PolarHBondContact O-N 3.06Å; L191-I194 PolarHBondContact O-N 3.14Å; L191-A195 WeakPolarHBondContact O-CB 3.43Å; L191-A195 PolarHBondContact O-N 3.37Å; L191-I215 HydrophobicContact CD2-CD1 4.14Å; L191-L227 HydrophobicContact CD2-CD2 3.47Å; L191-L227 VanDerWaalsContact CD2-CD2 3.47Å; L191-L227 HydrophobicContact CG-CD1 4.12Å; L191-L227 HydrophobicContact CG-CD2 3.78Å
192S96.2Very high95.7Very high73 Ų7352.5 Ų52.551%0.5128%0.277SS..Hα-helixtrans-63-44.1172.7-173.30000110.8A188 L189 K190 A195 T196A188-S192 PolarHBondContact O-N 3.04Å; L189-S192 WeakPolarHBondContact O-CB 3.29Å; L189-S192 PolarHBondContact O-N 3.36Å; K190-S192 VanDerWaalsContact C-N 3.34Å; K190-S192 PolarHBondContact O-N 3.49Å; S192-A195 WeakPolarHBondContact O-CB 2.99Å; S192-A195 PolarHBondContact O-N 3.07Å; S192-T196 WeakPolarHBondContact O-CG2 3.27Å; S192-T196 PolarHBondContact O-N 3.11Å; S192-T196 VanDerWaalsContact O-N 3.08Å
193E97.5Very high95.6Very high56 Ų5648.2 Ų48.226%0.26226%0.257SS..Hα-helixtrans-60.8-48.8175.9-170.4-175.3160.400111.6L189 K190 A195 T196 L197 I231 R235L189-E193 PolarHBondContact O-N 3.39Å; K190-E193 WeakPolarHBondContact O-CB 2.79Å; K190-E193 PolarHBondContact O-N 3.37Å; E193-A195 VanDerWaalsContact C-N 3.26Å; E193-A195 PolarHBondContact O-N 2.93Å; E193-T196 PolarHBondContact O-N 3.32Å; E193-T196 PolarHBondContact O-OG1 2.99Å; E193-L197 HydrophobicContact CG-CD1 4.18Å; E193-L197 PolarHBondContact O-N 3.32Å; E193-I231 HydrophobicContact CB-CD1 4.36Å; E193-I231 WeakPolarHBondContact OE1-CG2 3.3Å; E193-R235 IonicContact OE1-CZ 2.68Å; E193-R235 IonicContact OE1-NE 3.62Å; E193-R235 PolarHBondContact OE1-NE 2.86Å; E193-R235 IonicContact OE1-NH2 3.86Å; E193-R235 PolarHBondContact OE1-NH2 3.31Å; E193-R235 IonicContact OE2-NH2 3.27Å
194I97.3Very high95.3Very high0 Ų048.8 Ų48.80%026%0.26CS..Hα-helixtrans-56.3-42.2175.5-71.7172.7000110.9K190 L191 T196 L197 W198 F211 L227 E230 I231 L234K190-I194 VanDerWaalsContact O-CG1 3.31Å; K190-I194 WeakPolarHBondContact O-CG1 3.42Å; K190-I194 PolarHBondContact O-N 3.4Å; L191-I194 PolarHBondContact O-N 3.14Å; I194-T196 VanDerWaalsContact C-N 3.33Å; I194-T196 PolarHBondContact O-N 3.44Å; I194-L197 PolarHBondContact O-N 3.44Å; I194-W198 HydrophobicContact CG2-CD2 3.56Å; I194-W198 HydrophobicContact CG2-CE3 3.91Å; I194-W198 HydrophobicContact CG2-CG 4.23Å; I194-W198 HydrophobicContact CG2-CH2 3.69Å; I194-W198 HydrophobicContact CG2-CZ2 3.32Å; I194-W198 HydrophobicContact CG2-CZ3 3.97Å; I194-W198 WeakPolarHBondContact O-CB 3.4Å; I194-W198 PolarHBondContact O-N 3.22Å; I194-F211 HydrophobicContact CD1-CE1 4.07Å; I194-F211 HydrophobicContact CD1-CZ 4.36Å; I194-L227 HydrophobicContact CD1-CB 4.15Å; I194-L227 HydrophobicContact CD1-CD2 3.47Å; I194-L227 VanDerWaalsContact CD1-CD2 3.47Å; I194-L227 HydrophobicContact CD1-CG 4.43Å; I194-E230 HydrophobicContact CD1-CB 4.04Å; I194-E230 HydrophobicContact CD1-CG 4.04Å; I194-E230 HydrophobicContact CG1-CG 4.41Å; I194-E230 HydrophobicContact CG2-CG 4.39Å; I194-I231 HydrophobicContact CD1-CG1 4.02Å; I194-I231 HydrophobicContact CG1-CD1 4.18Å; I194-I231 HydrophobicContact CG1-CG1 3.42Å; I194-I231 VanDerWaalsContact CG1-CG1 3.42Å; I194-L234 HydrophobicContact CG2-CD1 4Å
195A95.3Very high95.1Very high40 Ų4048.9 Ų48.933%0.33127%0.265SS..Hα-helixtrans-60.6-42176.600000112L191 S192 E193 W198 E199L191-A195 WeakPolarHBondContact O-CB 3.43Å; L191-A195 PolarHBondContact O-N 3.37Å; S192-A195 WeakPolarHBondContact O-CB 2.99Å; S192-A195 PolarHBondContact O-N 3.07Å; E193-A195 VanDerWaalsContact C-N 3.26Å; E193-A195 PolarHBondContact O-N 2.93Å; A195-W198 PolarHBondContact O-N 3.27Å; A195-E199 PolarHBondContact O-N 2.92Å; A195-E199 VanDerWaalsContact O-N 3.14Å
196T95.5Very high94.7Very high64 Ų6449.1 Ų49.139%0.39327%0.271SS..Hα-helixtrans-66.5-37174.567.10000112.5S192 E193 I194 E199 K200S192-T196 WeakPolarHBondContact O-CG2 3.27Å; S192-T196 PolarHBondContact O-N 3.11Å; S192-T196 VanDerWaalsContact O-N 3.08Å; E193-T196 PolarHBondContact O-N 3.32Å; E193-T196 PolarHBondContact O-OG1 2.99Å; I194-T196 VanDerWaalsContact C-N 3.33Å; I194-T196 PolarHBondContact O-N 3.44Å; T196-E199 PolarHBondContact O-N 2.99Å; T196-K200 WeakPolarHBondContact O-CG 3.42Å; T196-K200 PolarHBondContact O-N 3.02Å
197L95.5Very high94.5Very high13 Ų1349.4 Ų49.47%0.06827%0.268CS..Hα-helixtrans-69.8-39.5176.9-72.4170.9000111.7E193 I194 E199 K200 C201 I231 L234 R235E193-L197 HydrophobicContact CG-CD1 4.18Å; E193-L197 PolarHBondContact O-N 3.32Å; I194-L197 PolarHBondContact O-N 3.44Å; L197-E199 VanDerWaalsContact C-N 3.27Å; L197-E199 PolarHBondContact O-N 3.5Å; L197-K200 PolarHBondContact O-N 3.45Å; L197-C201 VanDerWaalsContact O-CB 3.28Å; L197-C201 WeakPolarHBondContact O-CB 3.35Å; L197-C201 PolarHBondContact O-N 3.45Å; L197-C201 PolarHBondContact O-SG 3.25Å; L197-I231 HydrophobicContact CD1-CG2 4.16Å; L197-L234 HydrophobicContact CB-CB 4Å; L197-L234 HydrophobicContact CB-CD1 3.91Å; L197-L234 HydrophobicContact CD1-CB 4.02Å; L197-L234 HydrophobicContact CD1-CD1 4.46Å; L197-R235 HydrophobicContact CD1-CG 3.95Å; L197-R235 HydrophobicContact CD2-CG 4.1Å
198W95.9Very high94.3Very high2 Ų250.2 Ų50.21%0.00827%0.271CS..Hα-helixtrans-60.3-37.8173.1-74.5-22.5000112.2I194 A195 K202 I203 Q208 F211 R212 L234I194-W198 HydrophobicContact CG2-CD2 3.56Å; I194-W198 HydrophobicContact CG2-CE3 3.91Å; I194-W198 HydrophobicContact CG2-CG 4.23Å; I194-W198 HydrophobicContact CG2-CH2 3.69Å; I194-W198 HydrophobicContact CG2-CZ2 3.32Å; I194-W198 HydrophobicContact CG2-CZ3 3.97Å; I194-W198 WeakPolarHBondContact O-CB 3.4Å; I194-W198 PolarHBondContact O-N 3.22Å; A195-W198 PolarHBondContact O-N 3.27Å; W198-K202 WeakPolarHBondContact O-CA 3.27Å; W198-K202 PolarHBondContact O-N 2.91Å; W198-I203 HydrophobicContact CB-CB 4.17Å; W198-I203 HydrophobicContact CB-CG1 4.44Å; W198-I203 HydrophobicContact CG-CB 4.25Å; W198-I203 HydrophobicContact CG-CG1 4.44Å; W198-I203 PolarHBondContact O-N 2.84Å; W198-Q208 HydrophobicContact CB-CG 4.27Å; W198-Q208 HydrophobicContact CD2-CB 4.19Å; W198-Q208 HydrophobicContact CD2-CG 3.55Å; W198-Q208 HydrophobicContact CE3-CB 3.91Å; W198-Q208 HydrophobicContact CE3-CG 3.58Å; W198-Q208 HydrophobicContact CG-CG 3.89Å; W198-Q208 HydrophobicContact CH2-CB 4.13Å; W198-Q208 HydrophobicContact CZ2-CB 4.38Å; W198-Q208 HydrophobicContact CZ3-CB 3.88Å; W198-Q208 HydrophobicContact CZ3-CG 4.1Å; W198-F211 AromaticContact CH2-CD1 3.86Å; W198-F211 HydrophobicContact CH2-CD1 3.86Å; W198-F211 HydrophobicContact CZ2-CB 4.01Å; W198-F211 AromaticContact CZ2-CD1 3.57Å; W198-F211 HydrophobicContact CZ2-CD1 3.57Å; W198-F211 HydrophobicContact CZ2-CE1 4.38Å; W198-F211 HydrophobicContact CZ2-CG 4.03Å; W198-R212 HydrophobicContact CH2-CG 4.16Å; W198-L234 VanDerWaalsContact CD1-CD1 3.5Å; W198-L234 HydrophobicContact CG-CD1 4.45Å
199E93.1Very high94.2Very high72 Ų7251.3 Ų51.334%0.33627%0.267SS..Hα-helixtrans-67.7-44.9174.2179.7167-163.900112.3A195 T196 L197 K202 Y412A195-E199 PolarHBondContact O-N 2.92Å; A195-E199 VanDerWaalsContact O-N 3.14Å; T196-E199 PolarHBondContact O-N 2.99Å; L197-E199 VanDerWaalsContact C-N 3.27Å; L197-E199 PolarHBondContact O-N 3.5Å; E199-K202 WeakPolarHBondContact O-CD 3.27Å; E199-K202 VanDerWaalsContact O-CE 3.24Å; E199-K202 WeakPolarHBondContact O-CE 3.4Å; E199-K202 PolarHBondContact O-N 2.95Å; E199-Y412 PolarHBondContact OE1-OH 3.03Å
200K93.7Very high94Very high109 Ų10949.4 Ų49.447%0.47426%0.263SS..Hα-helixtrans-62.9-44.1177-74.8178.1177.4-178.40112.9T196 L197 K202 Y238T196-K200 WeakPolarHBondContact O-CG 3.42Å; T196-K200 PolarHBondContact O-N 3.02Å; L197-K200 PolarHBondContact O-N 3.45Å; K200-K202 PolarHBondContact O-N 3.47Å; K200-Y238 HydrophobicContact CB-CD2 4.07Å; K200-Y238 HydrophobicContact CB-CE2 3.95Å
201C93.4Very high93.8Very high0 Ų049.6 Ų49.60%026%0.264CS..THydrogen-bonded Turntrans-81.70.2178.1-61.90000113.1L197 I203 Y237 Y238 F245L197-C201 VanDerWaalsContact O-CB 3.28Å; L197-C201 WeakPolarHBondContact O-CB 3.35Å; L197-C201 PolarHBondContact O-N 3.45Å; L197-C201 PolarHBondContact O-SG 3.25Å; C201-I203 VanDerWaalsContact C-N 3.27Å; C201-I203 HydrophobicContact CB-CD1 3.8Å; C201-I203 HydrophobicContact CB-CG1 3.78Å; C201-I203 PolarHBondContact O-N 3.1Å; C201-Y237 HydrophobicContact CB-CD1 4Å; C201-Y237 HydrophobicContact CB-CE1 4.21Å; C201-Y238 VanDerWaalsContact SG-CB 3.59Å; C201-F245 HydrophobicContact CB-CZ 4.39Å; C201-F245 VanDerWaalsContact O-CE1 3.25Å; C201-F245 WeakPolarHBondContact O-CE1 3.4Å; C201-F245 WeakPolarHBondContact O-CZ 3.38Å
202K91.8Very high93.6Very high3 Ų352.8 Ų52.81%0.01327%0.271CS..THydrogen-bonded Turntrans55.140.3177.6-45.9-70.3158.9179.40113.1W198 E199 K200 F245 F248 E252 V317 Y318W198-K202 WeakPolarHBondContact O-CA 3.27Å; W198-K202 PolarHBondContact O-N 2.91Å; E199-K202 WeakPolarHBondContact O-CD 3.27Å; E199-K202 VanDerWaalsContact O-CE 3.24Å; E199-K202 WeakPolarHBondContact O-CE 3.4Å; E199-K202 PolarHBondContact O-N 2.95Å; K200-K202 PolarHBondContact O-N 3.47Å; K202-F245 HydrophobicContact CB-CE1 4.37Å; K202-F245 HydrophobicContact CG-CD1 3.97Å; K202-F245 HydrophobicContact CG-CE1 4.18Å; K202-F248 HydrophobicContact CD-CD1 4.17Å; K202-F248 HydrophobicContact CD-CE1 4.19Å; K202-F248 HydrophobicContact CG-CD1 4.23Å; K202-F248 HydrophobicContact CG-CE1 4.43Å; K202-E252 WeakPolarHBondContact CE-OE2 3.41Å; K202-E252 IonicContact NZ-OE1 3.75Å; K202-E252 IonicContact NZ-OE2 3.43Å; K202-E252 PolarHBondContact NZ-OE2 3.48Å; K202-V317 HydrophobicContact CB-CB 4.24Å; K202-V317 HydrophobicContact CB-CG1 3.83Å; K202-V317 HydrophobicContact CB-CG2 4.03Å; K202-V317 HydrophobicContact CG-CG1 4.32Å; K202-V317 HydrophobicContact CG-CG2 4.33Å; K202-Y318 HydrophobicContact CB-CD1 4.43Å; K202-Y318 HydrophobicContact CB-CE1 3.84Å; K202-Y318 HydrophobicContact CB-CE2 4.25Å; K202-Y318 HydrophobicContact CD-CE1 4.32Å; K202-Y318 HydrophobicContact CD-CE2 4.33Å; K202-Y318 WeakPolarHBondContact CD-OH 3.34Å; K202-Y318 WeakPolarHBondContact O-CD1 3.39Å; K202-Y318 PolarHBondContact O-N 3.38Å
203I91.9Very high93.5Very high5 Ų556.1 Ų56.13%0.02628%0.277CS..  trans-70.8137.3-175.7-59.6-52.1000111.3W198 C201 R207 Q208 L234 Y237W198-I203 HydrophobicContact CB-CB 4.17Å; W198-I203 HydrophobicContact CB-CG1 4.44Å; W198-I203 HydrophobicContact CG-CB 4.25Å; W198-I203 HydrophobicContact CG-CG1 4.44Å; W198-I203 PolarHBondContact O-N 2.84Å; C201-I203 VanDerWaalsContact C-N 3.27Å; C201-I203 HydrophobicContact CB-CD1 3.8Å; C201-I203 HydrophobicContact CB-CG1 3.78Å; C201-I203 PolarHBondContact O-N 3.1Å; I203-R207 VanDerWaalsContact CD1-NH1 3.28Å; I203-R207 HydrophobicContact CG2-CB 3.86Å; I203-R207 HydrophobicContact CG2-CG 3.87Å; I203-Q208 HydrophobicContact CG2-CG 4.05Å; I203-Q208 PolarHBondContact O-NE2 2.92Å; I203-L234 HydrophobicContact CG1-CD2 4.22Å; I203-Y237 HydrophobicContact CD1-CE1 4.16Å
204D90.4Very high93.4Very high34 Ų3456.7 Ų56.718%0.18229%0.286CS..  trans-66.4150.2179.471.7-80.2000113N206 R207 Q208D204-N206 PolarHBondContact O-N 3.44Å; D204-N206 WeakPolarHBondContact OD2-CA 3.5Å; D204-N206 VanDerWaalsContact OD2-CB 3.3Å; D204-N206 WeakPolarHBondContact OD2-CB 3.38Å; D204-N206 PolarHBondContact OD2-N 3.38Å; D204-N206 VanDerWaalsContact OD2-N 3.09Å; D204-R207 PolarHBondContact O-N 3.15Å; D204-R207 WeakPolarHBondContact OD1-CB 3.3Å; D204-R207 PolarHBondContact OD2-N 3.42Å; D204-Q208 WeakPolarHBondContact O-CG 3.47Å; D204-Q208 PolarHBondContact O-N 3.29Å; D204-Q208 VanDerWaalsContact O-N 3.15Å
205L90.9Very high93.2Very high95 Ų9557.2 Ų57.250%0.49729%0.289SS..Hα-helixtrans-63.2-30.5-176.2-174.563.2000112.7Q208 Q209L205-Q208 PolarHBondContact O-N 3.31Å; L205-Q209 HydrophobicContact CD1-CG 4.37Å; L205-Q209 HydrophobicContact CG-CG 4.33Å; L205-Q209 WeakPolarHBondContact O-CB 3.29Å; L205-Q209 VanDerWaalsContact O-CG 3.29Å; L205-Q209 WeakPolarHBondContact O-CG 3.31Å; L205-Q209 PolarHBondContact O-N 2.81Å
206N90.4Very high93Very high121 Ų12161.6 Ų61.665%0.64730%0.303SS*.Hα-helixtrans-68.5-43.1-179.2-64-31.7000110.6D204 Q209 S210D204-N206 PolarHBondContact O-N 3.44Å; D204-N206 WeakPolarHBondContact OD2-CA 3.5Å; D204-N206 VanDerWaalsContact OD2-CB 3.3Å; D204-N206 WeakPolarHBondContact OD2-CB 3.38Å; D204-N206 PolarHBondContact OD2-N 3.38Å; D204-N206 VanDerWaalsContact OD2-N 3.09Å; N206-Q209 PolarHBondContact O-N 3.38Å; N206-S210 VanDerWaalsContact O-CB 3.27Å; N206-S210 WeakPolarHBondContact O-CB 3.46Å; N206-S210 PolarHBondContact O-N 3.22Å
207R91.3Very high92.8Very high82 Ų8266 Ų6631%0.30932%0.324SS..Hα-helixtrans-62-44.2173-179.2172.3170.6-152.3-4.6111.6I203 D204 Q209 S210 F211 E230I203-R207 VanDerWaalsContact CD1-NH1 3.28Å; I203-R207 HydrophobicContact CG2-CB 3.86Å; I203-R207 HydrophobicContact CG2-CG 3.87Å; D204-R207 PolarHBondContact O-N 3.15Å; D204-R207 WeakPolarHBondContact OD1-CB 3.3Å; D204-R207 PolarHBondContact OD2-N 3.42Å; R207-Q209 VanDerWaalsContact C-N 3.35Å; R207-Q209 PolarHBondContact O-N 2.92Å; R207-S210 PolarHBondContact O-N 3.31Å; R207-F211 PolarHBondContact O-N 3.37Å; R207-E230 IonicContact NH2-OE1 2.68Å
208Q93.1Very high92.6Very high27 Ų2769.1 Ų69.113%0.12634%0.337CS..Hα-helixtrans-58.9-45.9175.8-61.8-17826.900111.7W198 I203 D204 L205 F211 R212W198-Q208 HydrophobicContact CB-CG 4.27Å; W198-Q208 HydrophobicContact CD2-CB 4.19Å; W198-Q208 HydrophobicContact CD2-CG 3.55Å; W198-Q208 HydrophobicContact CE3-CB 3.91Å; W198-Q208 HydrophobicContact CE3-CG 3.58Å; W198-Q208 HydrophobicContact CG-CG 3.89Å; W198-Q208 HydrophobicContact CH2-CB 4.13Å; W198-Q208 HydrophobicContact CZ2-CB 4.38Å; W198-Q208 HydrophobicContact CZ3-CB 3.88Å; W198-Q208 HydrophobicContact CZ3-CG 4.1Å; I203-Q208 HydrophobicContact CG2-CG 4.05Å; I203-Q208 PolarHBondContact O-NE2 2.92Å; D204-Q208 WeakPolarHBondContact O-CG 3.47Å; D204-Q208 PolarHBondContact O-N 3.29Å; D204-Q208 VanDerWaalsContact O-N 3.15Å; L205-Q208 PolarHBondContact O-N 3.31Å; Q208-F211 PolarHBondContact O-N 3.1Å; Q208-R212 WeakPolarHBondContact O-CG 3.22Å; Q208-R212 PolarHBondContact O-N 3.19Å
209Q92.9Very high92.4Very high81 Ų8174.1 Ų74.138%0.37936%0.364SS..Hα-helixtrans-67.9-39.6178.4-73.9-179.7600112.4L205 N206 R207 F211 R212 K213L205-Q209 HydrophobicContact CD1-CG 4.37Å; L205-Q209 HydrophobicContact CG-CG 4.33Å; L205-Q209 WeakPolarHBondContact O-CB 3.29Å; L205-Q209 VanDerWaalsContact O-CG 3.29Å; L205-Q209 WeakPolarHBondContact O-CG 3.31Å; L205-Q209 PolarHBondContact O-N 2.81Å; N206-Q209 PolarHBondContact O-N 3.38Å; R207-Q209 VanDerWaalsContact C-N 3.35Å; R207-Q209 PolarHBondContact O-N 2.92Å; Q209-F211 VanDerWaalsContact C-N 3.34Å; Q209-R212 PolarHBondContact O-N 3.31Å; Q209-K213 WeakPolarHBondContact O-CB 3.45Å; Q209-K213 WeakPolarHBondContact O-CG 3.43Å; Q209-K213 PolarHBondContact O-N 3.28Å
210S93.2Very high92.4Very high77 Ų7772.7 Ų72.754%0.53836%0.359SS..Hα-helixtrans-60.2-44.9176.4178.60000111N206 R207 K213 S214N206-S210 VanDerWaalsContact O-CB 3.27Å; N206-S210 WeakPolarHBondContact O-CB 3.46Å; N206-S210 PolarHBondContact O-N 3.22Å; R207-S210 PolarHBondContact O-N 3.31Å; S210-K213 PolarHBondContact O-N 2.79Å; S210-S214 WeakPolarHBondContact O-CB 3.33Å; S210-S214 PolarHBondContact O-N 2.89Å
211F94.1Very high92.3Very high23 Ų2371.6 Ų71.610%0.10136%0.357CS..Hα-helixtrans-62.4-46.9174.8-178.2-98.9000112.1I194 W198 R207 Q208 Q209 K213 S214 I215 L227 E230I194-F211 HydrophobicContact CD1-CE1 4.07Å; I194-F211 HydrophobicContact CD1-CZ 4.36Å; W198-F211 AromaticContact CH2-CD1 3.86Å; W198-F211 HydrophobicContact CH2-CD1 3.86Å; W198-F211 HydrophobicContact CZ2-CB 4.01Å; W198-F211 AromaticContact CZ2-CD1 3.57Å; W198-F211 HydrophobicContact CZ2-CD1 3.57Å; W198-F211 HydrophobicContact CZ2-CE1 4.38Å; W198-F211 HydrophobicContact CZ2-CG 4.03Å; R207-F211 PolarHBondContact O-N 3.37Å; Q208-F211 PolarHBondContact O-N 3.1Å; Q209-F211 VanDerWaalsContact C-N 3.34Å; F211-K213 VanDerWaalsContact C-N 3.34Å; F211-K213 PolarHBondContact O-N 2.75Å; F211-S214 WeakPolarHBondContact O-CB 3.38Å; F211-S214 PolarHBondContact O-N 2.76Å; F211-S214 VanDerWaalsContact O-N 3.1Å; F211-I215 HydrophobicContact CD1-CD1 4.47Å; F211-I215 HydrophobicContact CE1-CD1 3.99Å; F211-I215 HydrophobicContact CE1-CG2 4.27Å; F211-I215 HydrophobicContact CE2-CG2 4.22Å; F211-I215 HydrophobicContact CZ-CG2 3.98Å; F211-I215 PolarHBondContact O-N 3.04Å; F211-L227 HydrophobicContact CE1-CD2 3.97Å; F211-L227 HydrophobicContact CZ-CD2 4.25Å; F211-E230 HydrophobicContact CD1-CG 4.47Å; F211-E230 HydrophobicContact CD2-CB 4.47Å; F211-E230 HydrophobicContact CD2-CG 4.12Å; F211-E230 HydrophobicContact CE1-CB 4.27Å; F211-E230 HydrophobicContact CE1-CG 4.05Å; F211-E230 HydrophobicContact CE2-CB 3.58Å; F211-E230 HydrophobicContact CE2-CG 3.69Å; F211-E230 HydrophobicContact CG-CG 4.5Å; F211-E230 HydrophobicContact CZ-CB 3.45Å; F211-E230 VanDerWaalsContact CZ-CB 3.45Å; F211-E230 HydrophobicContact CZ-CG 3.64Å
212R93.2Very high92.3Very high132 Ų13275.2 Ų75.250%0.49837%0.373SS..Hα-helixtrans-57.4-44.5177.4-75-178.2-179.4171.82.3112.5W198 Q208 Q209 S214 I215 E216W198-R212 HydrophobicContact CH2-CG 4.16Å; Q208-R212 WeakPolarHBondContact O-CG 3.22Å; Q208-R212 PolarHBondContact O-N 3.19Å; Q209-R212 PolarHBondContact O-N 3.31Å; R212-S214 VanDerWaalsContact C-N 3.35Å; R212-I215 VanDerWaalsContact O-CG1 3.27Å; R212-I215 WeakPolarHBondContact O-CG1 3.37Å; R212-I215 PolarHBondContact O-N 2.74Å; R212-E216 PolarHBondContact O-N 2.81Å
213K94Very high92.5Very high143 Ų14377.7 Ų77.762%0.62238%0.384SS*.Hα-helixtrans-63.5-40.9175.2-72.1176.3-179.6-179.10111.6Q209 S210 F211 I215 E216Q209-K213 WeakPolarHBondContact O-CB 3.45Å; Q209-K213 WeakPolarHBondContact O-CG 3.43Å; Q209-K213 PolarHBondContact O-N 3.28Å; S210-K213 PolarHBondContact O-N 2.79Å; F211-K213 VanDerWaalsContact C-N 3.34Å; F211-K213 PolarHBondContact O-N 2.75Å; K213-I215 PolarHBondContact O-N 2.54Å; K213-E216 PolarHBondContact O-N 3.14Å
214S93.8Very high92.7Very high67 Ų6778.5 Ų78.547%0.46939%0.388SS..Hα-helixtrans-61.9-26.6179.9-176.60000113.4S210 F211 R212 F218S210-S214 WeakPolarHBondContact O-CB 3.33Å; S210-S214 PolarHBondContact O-N 2.89Å; F211-S214 WeakPolarHBondContact O-CB 3.38Å; F211-S214 PolarHBondContact O-N 2.76Å; F211-S214 VanDerWaalsContact O-N 3.1Å; R212-S214 VanDerWaalsContact C-N 3.35Å; S214-F218 WeakPolarHBondContact O-CE2 3.07Å
215I94.4Very high92.9Very high12 Ų1281.4 Ų81.46%0.06240%0.401CS..Hα-helixtrans-99.9-9.1-178.665.4170000113.8L191 F211 R212 K213 D217 F218 K223 M226 L227L191-I215 HydrophobicContact CD2-CD1 4.14Å; F211-I215 HydrophobicContact CD1-CD1 4.47Å; F211-I215 HydrophobicContact CE1-CD1 3.99Å; F211-I215 HydrophobicContact CE1-CG2 4.27Å; F211-I215 HydrophobicContact CE2-CG2 4.22Å; F211-I215 HydrophobicContact CZ-CG2 3.98Å; F211-I215 PolarHBondContact O-N 3.04Å; R212-I215 VanDerWaalsContact O-CG1 3.27Å; R212-I215 WeakPolarHBondContact O-CG1 3.37Å; R212-I215 PolarHBondContact O-N 2.74Å; K213-I215 PolarHBondContact O-N 2.54Å; I215-D217 PolarHBondContact O-N 3.13Å; I215-F218 HydrophobicContact CB-CD2 4.44Å; I215-F218 PolarHBondContact O-N 3.03Å; I215-K223 WeakPolarHBondContact O-CE 3.39Å; I215-M226 HydrophobicContact CG2-CB 4.04Å; I215-L227 HydrophobicContact CD1-CD2 3.88Å
216E91Very high93.2Very high131 Ų13179.5 Ų79.561%0.61239%0.39SS*.Hα-helixtrans-59.6-43.7-168.4-170.6166.9-170.500113R212 K213 K223R212-E216 PolarHBondContact O-N 2.81Å; K213-E216 PolarHBondContact O-N 3.14Å; E216-K223 VanDerWaalsContact O-CE 3.27Å; E216-K223 WeakPolarHBondContact O-CE 3.36Å; E216-K223 PolarHBondContact O-NZ 3.47Å
217D91.1Very high93.5Very high156 Ų15673.9 Ų73.983%0.83436%0.36SS*.THydrogen-bonded Turntrans-86-5.7-174-64.3-32.3000114.4I215I215-D217 PolarHBondContact O-N 3.13Å
218F91.6Very high93.8Very high79 Ų7975 Ų7535%0.34637%0.368SS..SBendtrans-75.8150.8-179.3-69.8-41.7000112.7S214 I215 K222 K223 M226S214-F218 WeakPolarHBondContact O-CE2 3.07Å; I215-F218 HydrophobicContact CB-CD2 4.44Å; I215-F218 PolarHBondContact O-N 3.03Å; F218-K222 HydrophobicContact CB-CB 4.09Å; F218-K222 HydrophobicContact CB-CG 4.12Å; F218-K222 HydrophobicContact CD1-CG 3.97Å; F218-K222 HydrophobicContact CD2-CG 4.22Å; F218-K222 HydrophobicContact CE1-CG 4.49Å; F218-K222 HydrophobicContact CG-CB 4.37Å; F218-K222 HydrophobicContact CG-CG 3.84Å; F218-K223 HydrophobicContact CB-CG 3.82Å; F218-K223 WeakPolarHBondContact O-CD 3.32Å; F218-K223 WeakPolarHBondContact O-CE 3.37Å; F218-K223 PolarHBondContact O-NZ 3.35Å; F218-M226 HydrophobicContact CD2-CG 4.34Å; F218-M226 HydrophobicContact CE2-CG 4.34Å
219N91.6Very high94Very high108 Ų10876.4 Ų76.458%0.57839%0.385SS*.  trans-65.8162.8167.870.439.6000110.7L221 K222 K223N219-L221 VanDerWaalsContact C-N 3.33Å; N219-L221 PolarHBondContact O-N 2.86Å; N219-L221 PolarHBondContact OD1-N 3.21Å; N219-K222 PolarHBondContact O-N 3.32Å; N219-K222 WeakPolarHBondContact OD1-CB 3.32Å; N219-K222 PolarHBondContact OD1-N 3.31Å; N219-K223 WeakPolarHBondContact O-CG 3.16Å; N219-K223 PolarHBondContact O-N 2.88Å
220L92.4Very high94.2Very high42 Ų4273.5 Ų73.522%0.2237%0.371CS..Hα-helixtrans-59.3-39.7-173.6-80.4162.5000113.5L180 K184 K223 D224L180-L220 HydrophobicContact CB-CD1 4.44Å; L180-L220 HydrophobicContact CD2-CD1 4.04Å; K184-L220 HydrophobicContact CD-CD1 4.41Å; K184-L220 HydrophobicContact CG-CD1 3.7Å; K184-L220 HydrophobicContact CG-CD2 3.72Å; K184-L220 HydrophobicContact CG-CG 4.39Å; L220-K223 WeakPolarHBondContact O-CB 3.29Å; L220-K223 PolarHBondContact O-N 3.44Å; L220-D224 WeakPolarHBondContact O-CB 3.23Å; L220-D224 PolarHBondContact O-N 3.28Å
221L92.4Very high94.5Very high85 Ų8570.4 Ų70.445%0.44535%0.349SS..Hα-helixtrans-63.7-45.5178.7-172.368.2000111N219 D224 E225N219-L221 VanDerWaalsContact C-N 3.33Å; N219-L221 PolarHBondContact O-N 2.86Å; N219-L221 PolarHBondContact OD1-N 3.21Å; L221-D224 WeakPolarHBondContact O-CB 3.48Å; L221-D224 PolarHBondContact O-N 3.33Å; L221-E225 PolarHBondContact O-N 3.41Å; L221-E225 VanDerWaalsContact O-N 3.14Å
222K93.5Very high94.6Very high77 Ų7776.1 Ų76.134%0.33537%0.374SS..Hα-helixtrans-68.7-35.8178.7-172.960.1-177.91750112.2F218 N219 E225 M226F218-K222 HydrophobicContact CB-CB 4.09Å; F218-K222 HydrophobicContact CB-CG 4.12Å; F218-K222 HydrophobicContact CD1-CG 3.97Å; F218-K222 HydrophobicContact CD2-CG 4.22Å; F218-K222 HydrophobicContact CE1-CG 4.49Å; F218-K222 HydrophobicContact CG-CB 4.37Å; F218-K222 HydrophobicContact CG-CG 3.84Å; N219-K222 PolarHBondContact O-N 3.32Å; N219-K222 WeakPolarHBondContact OD1-CB 3.32Å; N219-K222 PolarHBondContact OD1-N 3.31Å; K222-E225 VanDerWaalsContact CD-OE2 3.29Å; K222-E225 WeakPolarHBondContact CD-OE2 3.39Å; K222-E225 IonicContact NZ-OE2 3.58Å; K222-E225 PolarHBondContact NZ-OE2 2.91Å; K222-M226 WeakPolarHBondContact O-CG 3.39Å; K222-M226 PolarHBondContact O-N 3.33Å; K222-M226 VanDerWaalsContact O-N 3.1Å
223K95.6Very high94.8Very high55 Ų5574.4 Ų74.424%0.23937%0.374CS..Hα-helixtrans-58.1-49.2171-77.1173.9168.2151.40110.6I215 E216 F218 N219 L220 E225 M226 L227I215-K223 WeakPolarHBondContact O-CE 3.39Å; E216-K223 VanDerWaalsContact O-CE 3.27Å; E216-K223 WeakPolarHBondContact O-CE 3.36Å; E216-K223 PolarHBondContact O-NZ 3.47Å; F218-K223 HydrophobicContact CB-CG 3.82Å; F218-K223 WeakPolarHBondContact O-CD 3.32Å; F218-K223 WeakPolarHBondContact O-CE 3.37Å; F218-K223 PolarHBondContact O-NZ 3.35Å; N219-K223 WeakPolarHBondContact O-CG 3.16Å; N219-K223 PolarHBondContact O-N 2.88Å; L220-K223 WeakPolarHBondContact O-CB 3.29Å; L220-K223 PolarHBondContact O-N 3.44Å; K223-E225 PolarHBondContact O-N 3.38Å; K223-M226 PolarHBondContact O-N 3.31Å; K223-L227 WeakPolarHBondContact O-CG 3.33Å; K223-L227 PolarHBondContact O-N 2.84Å
224D95.6Very high94.9Very high22 Ų2267.6 Ų67.612%0.11834%0.344CS..Hα-helixtrans-56.9-46.2-179.4-166.869.2000112.4K190 L220 L221 L227 E228K190-D224 IonicContact NZ-OD1 2.81Å; K190-D224 PolarHBondContact NZ-OD1 3.06Å; K190-D224 IonicContact NZ-OD2 3.98Å; K190-D224 PolarHBondContact NZ-OD2 3.1Å; L220-D224 WeakPolarHBondContact O-CB 3.23Å; L220-D224 PolarHBondContact O-N 3.28Å; L221-D224 WeakPolarHBondContact O-CB 3.48Å; L221-D224 PolarHBondContact O-N 3.33Å; D224-L227 PolarHBondContact O-N 3.29Å; D224-E228 PolarHBondContact O-N 3.42Å
225E95.6Very high95.1Very high94 Ų9470.6 Ų70.644%0.43935%0.345SS..Hα-helixtrans-59-47174.3-70176.6-177.900112.8L221 K222 K223 L227 E228 A229L221-E225 PolarHBondContact O-N 3.41Å; L221-E225 VanDerWaalsContact O-N 3.14Å; K222-E225 VanDerWaalsContact CD-OE2 3.29Å; K222-E225 WeakPolarHBondContact CD-OE2 3.39Å; K222-E225 IonicContact NZ-OE2 3.58Å; K222-E225 PolarHBondContact NZ-OE2 2.91Å; K223-E225 PolarHBondContact O-N 3.38Å; E225-L227 VanDerWaalsContact C-N 3.31Å; E225-L227 PolarHBondContact O-N 3.34Å; E225-E228 PolarHBondContact O-N 2.98Å; E225-A229 PolarHBondContact O-N 2.94Å
226M96.6Very high95.2Very high56 Ų5674.1 Ų74.128%0.27636%0.364SS..Hα-helixtrans-66.1-36.4-178.6-68-66.2-68.200111.6I215 F218 K222 K223 A229 E230I215-M226 HydrophobicContact CG2-CB 4.04Å; F218-M226 HydrophobicContact CD2-CG 4.34Å; F218-M226 HydrophobicContact CE2-CG 4.34Å; K222-M226 WeakPolarHBondContact O-CG 3.39Å; K222-M226 PolarHBondContact O-N 3.33Å; K222-M226 VanDerWaalsContact O-N 3.1Å; K223-M226 PolarHBondContact O-N 3.31Å; M226-A229 PolarHBondContact O-N 3.1Å; M226-E230 PolarHBondContact O-N 3.08Å
227L97.5Very high95.4Very high2 Ų269.2 Ų69.21%0.0134%0.34CS..Hα-helixtrans-66.4-42.9175.7-66.6170.5000111.4C187 K190 L191 I194 F211 I215 K223 D224 E225 A229 E230 I231C187-L227 HydrophobicContact CB-CD1 3.84Å; K190-L227 HydrophobicContact CB-CB 3.98Å; K190-L227 HydrophobicContact CB-CD1 4.16Å; K190-L227 HydrophobicContact CD-CB 4.09Å; L191-L227 HydrophobicContact CD2-CD2 3.47Å; L191-L227 VanDerWaalsContact CD2-CD2 3.47Å; L191-L227 HydrophobicContact CG-CD1 4.12Å; L191-L227 HydrophobicContact CG-CD2 3.78Å; I194-L227 HydrophobicContact CD1-CB 4.15Å; I194-L227 HydrophobicContact CD1-CD2 3.47Å; I194-L227 VanDerWaalsContact CD1-CD2 3.47Å; I194-L227 HydrophobicContact CD1-CG 4.43Å; F211-L227 HydrophobicContact CE1-CD2 3.97Å; F211-L227 HydrophobicContact CZ-CD2 4.25Å; I215-L227 HydrophobicContact CD1-CD2 3.88Å; K223-L227 WeakPolarHBondContact O-CG 3.33Å; K223-L227 PolarHBondContact O-N 2.84Å; D224-L227 PolarHBondContact O-N 3.29Å; E225-L227 VanDerWaalsContact C-N 3.31Å; E225-L227 PolarHBondContact O-N 3.34Å; L227-A229 VanDerWaalsContact C-N 3.35Å; L227-A229 PolarHBondContact O-N 3.35Å; L227-E230 PolarHBondContact O-N 3.21Å; L227-I231 VanDerWaalsContact O-CG1 3.28Å; L227-I231 WeakPolarHBondContact O-CG1 3.25Å; L227-I231 PolarHBondContact O-N 3.43Å
228E97.4Very high95.6Very high105 Ų10563.7 Ų63.749%0.49131%0.308SS..Hα-helixtrans-61.7-42.7175.2-73.1-173.3175.700112.5K190 D224 E225 I231 K232K190-E228 HydrophobicContact CD-CG 4.07Å; K190-E228 VanDerWaalsContact CE-CG 3.49Å; K190-E228 WeakPolarHBondContact CE-OE1 3.14Å; K190-E228 VanDerWaalsContact NZ-CD 3.28Å; K190-E228 IonicContact NZ-OE1 3.66Å; K190-E228 PolarHBondContact NZ-OE1 3.39Å; D224-E228 PolarHBondContact O-N 3.42Å; E225-E228 PolarHBondContact O-N 2.98Å; E228-I231 PolarHBondContact O-N 2.94Å; E228-K232 WeakPolarHBondContact O-CB 3.32Å; E228-K232 PolarHBondContact O-N 3.11Å
229A97.4Very high95.8Very high58 Ų5865.5 Ų65.548%0.47932%0.318SS..Hα-helixtrans-61.8-44.3177.500000111.7E225 M226 L227 K232 L233E225-A229 PolarHBondContact O-N 2.94Å; M226-A229 PolarHBondContact O-N 3.1Å; L227-A229 VanDerWaalsContact C-N 3.35Å; L227-A229 PolarHBondContact O-N 3.35Å; A229-K232 PolarHBondContact O-N 3.32Å; A229-L233 WeakPolarHBondContact O-CB 3.45Å; A229-L233 PolarHBondContact O-N 2.94Å
230E97.2Very high96Very high19 Ų1965.8 Ų65.89%0.08932%0.316CS..Hα-helixtrans-66-41.3177.1-176.666.5-173.400111.7I194 R207 F211 M226 L227 K232 L233 L234I194-E230 HydrophobicContact CD1-CB 4.04Å; I194-E230 HydrophobicContact CD1-CG 4.04Å; I194-E230 HydrophobicContact CG1-CG 4.41Å; I194-E230 HydrophobicContact CG2-CG 4.39Å; R207-E230 IonicContact NH2-OE1 2.68Å; F211-E230 HydrophobicContact CD1-CG 4.47Å; F211-E230 HydrophobicContact CD2-CB 4.47Å; F211-E230 HydrophobicContact CD2-CG 4.12Å; F211-E230 HydrophobicContact CE1-CB 4.27Å; F211-E230 HydrophobicContact CE1-CG 4.05Å; F211-E230 HydrophobicContact CE2-CB 3.58Å; F211-E230 HydrophobicContact CE2-CG 3.69Å; F211-E230 HydrophobicContact CG-CG 4.5Å; F211-E230 HydrophobicContact CZ-CB 3.45Å; F211-E230 VanDerWaalsContact CZ-CB 3.45Å; F211-E230 HydrophobicContact CZ-CG 3.64Å; M226-E230 PolarHBondContact O-N 3.08Å; L227-E230 PolarHBondContact O-N 3.21Å; E230-K232 VanDerWaalsContact C-N 3.33Å; E230-K232 PolarHBondContact O-N 2.82Å; E230-L233 PolarHBondContact O-N 3.39Å; E230-L234 HydrophobicContact CG-CD1 3.85Å; E230-L234 HydrophobicContact CG-CG 4.26Å; E230-L234 WeakPolarHBondContact O-CB 3.23Å; E230-L234 VanDerWaalsContact O-CG 3.28Å; E230-L234 WeakPolarHBondContact O-CG 3.31Å; E230-L234 PolarHBondContact O-N 3.04Å
231I98Very high96.1Very high13 Ų1364.3 Ų64.37%0.06731%0.307CS..Hα-helixtrans-57.2-48.4174-72.8167.3000110.3K190 E193 I194 L197 L227 E228 L233 L234 R235K190-I231 HydrophobicContact CB-CD1 3.73Å; K190-I231 HydrophobicContact CD-CD1 4.49Å; K190-I231 HydrophobicContact CG-CD1 3.76Å; E193-I231 HydrophobicContact CB-CD1 4.36Å; E193-I231 WeakPolarHBondContact OE1-CG2 3.3Å; I194-I231 HydrophobicContact CD1-CG1 4.02Å; I194-I231 HydrophobicContact CG1-CD1 4.18Å; I194-I231 HydrophobicContact CG1-CG1 3.42Å; I194-I231 VanDerWaalsContact CG1-CG1 3.42Å; L197-I231 HydrophobicContact CD1-CG2 4.16Å; L227-I231 VanDerWaalsContact O-CG1 3.28Å; L227-I231 WeakPolarHBondContact O-CG1 3.25Å; L227-I231 PolarHBondContact O-N 3.43Å; E228-I231 PolarHBondContact O-N 2.94Å; I231-L233 VanDerWaalsContact C-N 3.35Å; I231-L233 PolarHBondContact O-N 2.93Å; I231-L234 PolarHBondContact O-N 3.1Å; I231-R235 HydrophobicContact CG2-CG 4.28Å; I231-R235 WeakPolarHBondContact O-CB 3.44Å; I231-R235 VanDerWaalsContact O-CG 3.28Å; I231-R235 WeakPolarHBondContact O-CG 3.47Å; I231-R235 PolarHBondContact O-N 3.34Å
232K97.8Very high96.2Very high143 Ų14367.2 Ų67.262%0.62231%0.312SS*.Hα-helixtrans-61.3-44.5179.2-174.7179.4178.9-178.60111.5E228 A229 E230 N236E228-K232 WeakPolarHBondContact O-CB 3.32Å; E228-K232 PolarHBondContact O-N 3.11Å; A229-K232 PolarHBondContact O-N 3.32Å; E230-K232 VanDerWaalsContact C-N 3.33Å; E230-K232 PolarHBondContact O-N 2.82Å; K232-N236 PolarHBondContact O-N 3.34Å
233L96.7Very high96.3Very high95 Ų9568.8 Ų68.850%0.49732%0.321SS..Hα-helixtrans-60-49.3177.1-178.868.3000111.3A229 E230 I231 N236 Y237A229-L233 WeakPolarHBondContact O-CB 3.45Å; A229-L233 PolarHBondContact O-N 2.94Å; E230-L233 PolarHBondContact O-N 3.39Å; I231-L233 VanDerWaalsContact C-N 3.35Å; I231-L233 PolarHBondContact O-N 2.93Å; L233-N236 PolarHBondContact O-N 3.49Å; L233-Y237 VanDerWaalsContact O-CB 3.3Å; L233-Y237 WeakPolarHBondContact O-CB 3.42Å; L233-Y237 PolarHBondContact O-N 3.45Å
234L96.6Very high96.3Very high0 Ų066.5 Ų66.50%031%0.311CS..Hα-helixtrans-66.9-39.1-178.5-70.7171.3000112.6I194 L197 W198 I203 E230 I231 Y237 Y238I194-L234 HydrophobicContact CG2-CD1 4Å; L197-L234 HydrophobicContact CB-CB 4Å; L197-L234 HydrophobicContact CB-CD1 3.91Å; L197-L234 HydrophobicContact CD1-CB 4.02Å; L197-L234 HydrophobicContact CD1-CD1 4.46Å; W198-L234 VanDerWaalsContact CD1-CD1 3.5Å; W198-L234 HydrophobicContact CG-CD1 4.45Å; I203-L234 HydrophobicContact CG1-CD2 4.22Å; E230-L234 HydrophobicContact CG-CD1 3.85Å; E230-L234 HydrophobicContact CG-CG 4.26Å; E230-L234 WeakPolarHBondContact O-CB 3.23Å; E230-L234 VanDerWaalsContact O-CG 3.28Å; E230-L234 WeakPolarHBondContact O-CG 3.31Å; E230-L234 PolarHBondContact O-N 3.04Å; I231-L234 PolarHBondContact O-N 3.1Å; L234-Y237 PolarHBondContact O-N 3.42Å; L234-Y238 WeakPolarHBondContact O-CB 3.31Å; L234-Y238 PolarHBondContact O-N 2.93Å
235R97.4Very high96.3Very high131 Ų13165.5 Ų65.549%0.49431%0.306SS..Hα-helixtrans-62.1-47.6175.2-75.4177.9177.6-1642.9111.1E193 L197 I231 Y237 Y238 E239E193-R235 IonicContact OE1-CZ 2.68Å; E193-R235 IonicContact OE1-NE 3.62Å; E193-R235 PolarHBondContact OE1-NE 2.86Å; E193-R235 IonicContact OE1-NH2 3.86Å; E193-R235 PolarHBondContact OE1-NH2 3.31Å; E193-R235 IonicContact OE2-NH2 3.27Å; L197-R235 HydrophobicContact CD1-CG 3.95Å; L197-R235 HydrophobicContact CD2-CG 4.1Å; I231-R235 HydrophobicContact CG2-CG 4.28Å; I231-R235 WeakPolarHBondContact O-CB 3.44Å; I231-R235 VanDerWaalsContact O-CG 3.28Å; I231-R235 WeakPolarHBondContact O-CG 3.47Å; I231-R235 PolarHBondContact O-N 3.34Å; R235-Y237 VanDerWaalsContact C-N 3.34Å; R235-Y237 PolarHBondContact O-N 3.48Å; R235-Y238 PolarHBondContact O-N 3.46Å; R235-E239 WeakPolarHBondContact O-CG 3.39Å; R235-E239 PolarHBondContact O-N 3.39Å
236N96.4Very high96.3Very high85 Ų8563.1 Ų63.146%0.45530%0.302SS..Hα-helixtrans-61.8-44.1175.9-71.4-0.6000111.4K232 L233 Y238 E239 E240K232-N236 PolarHBondContact O-N 3.34Å; L233-N236 PolarHBondContact O-N 3.49Å; N236-Y238 VanDerWaalsContact C-N 3.3Å; N236-Y238 PolarHBondContact O-N 2.9Å; N236-E239 PolarHBondContact O-N 3.48Å; N236-E240 WeakPolarHBondContact O-CG 3.45Å; N236-E240 PolarHBondContact O-N 2.92Å; N236-E240 VanDerWaalsContact O-N 3.08Å
237Y95.4Very high96.3Very high29 Ų2963.1 Ų63.111%0.11430%0.301CS..Hα-helixtrans-58.5-42.3178.1-176.7-101000112.3C201 I203 L233 L234 R235 R241 F245C201-Y237 HydrophobicContact CB-CD1 4Å; C201-Y237 HydrophobicContact CB-CE1 4.21Å; I203-Y237 HydrophobicContact CD1-CE1 4.16Å; L233-Y237 VanDerWaalsContact O-CB 3.3Å; L233-Y237 WeakPolarHBondContact O-CB 3.42Å; L233-Y237 PolarHBondContact O-N 3.45Å; L234-Y237 PolarHBondContact O-N 3.42Å; R235-Y237 VanDerWaalsContact C-N 3.34Å; R235-Y237 PolarHBondContact O-N 3.48Å; Y237-R241 VanDerWaalsContact CD2-NH1 3.3Å; Y237-R241 VanDerWaalsContact CE2-CZ 3.44Å; Y237-R241 PolarHBondContact O-N 3.3Å; Y237-R241 PolarHBondContact O-NH1 2.82Å; Y237-F245 HydrophobicContact CD1-CE2 4.24Å; Y237-F245 HydrophobicContact CD1-CZ 4.3Å; Y237-F245 AromaticContact CE1-CE2 3.96Å; Y237-F245 HydrophobicContact CE1-CE2 3.96Å; Y237-F245 AromaticContact CE1-CZ 3.6Å; Y237-F245 HydrophobicContact CE1-CZ 3.6Å
238Y95.8Very high96.2Very high40 Ų4063.2 Ų63.216%0.15730%0.301CS..Hα-helixtrans-65.5-50.6176.1-176-103.4000112.2K200 C201 L234 R235 N236 E240 R241 R242 F245K200-Y238 HydrophobicContact CB-CD2 4.07Å; K200-Y238 HydrophobicContact CB-CE2 3.95Å; C201-Y238 VanDerWaalsContact SG-CB 3.59Å; L234-Y238 WeakPolarHBondContact O-CB 3.31Å; L234-Y238 PolarHBondContact O-N 2.93Å; R235-Y238 PolarHBondContact O-N 3.46Å; N236-Y238 VanDerWaalsContact C-N 3.3Å; N236-Y238 PolarHBondContact O-N 2.9Å; Y238-E240 PolarHBondContact O-N 3.45Å; Y238-R241 CarbonylContact O-C 3.5Å; Y238-R241 PolarHBondContact O-N 3.03Å; Y238-R242 HydrophobicContact CE1-CG 4.12Å; Y238-R242 WeakPolarHBondContact O-CA 3.49Å; Y238-R242 WeakPolarHBondContact O-CB 3.01Å; Y238-R242 PolarHBondContact O-N 3.33Å; Y238-F245 HydrophobicContact CD2-CB 4.49Å; Y238-F245 AromaticContact CD2-CD2 3.82Å; Y238-F245 HydrophobicContact CD2-CD2 3.82Å; Y238-F245 HydrophobicContact CD2-CE2 4.48Å; Y238-F245 HydrophobicContact CD2-CG 4.38Å; Y238-F245 HydrophobicContact CE2-CB 3.99Å; Y238-F245 HydrophobicContact CE2-CD2 4.18Å; Y238-F245 HydrophobicContact CE2-CG 4.36Å
239E95.6Very high96Very high117 Ų11761.5 Ų61.555%0.54729%0.293SS..Hα-helixtrans-62.8-42.9-174.6-73.9-59.9158.100112.2R235 N236 R241 R242R235-E239 WeakPolarHBondContact O-CG 3.39Å; R235-E239 PolarHBondContact O-N 3.39Å; N236-E239 PolarHBondContact O-N 3.48Å; E239-R241 VanDerWaalsContact C-N 3.28Å; E239-R241 PolarHBondContact O-N 2.92Å; E239-R242 WeakPolarHBondContact O-CB 3.45Å; E239-R242 PolarHBondContact O-N 2.85Å
240E94.4Very high95.9Very high114 Ų11462.6 Ų62.653%0.53329%0.288SS..Hα-helixtrans-60.7-37.5176.3-73.2171.3-177.500112.3N236 Y238 W306N236-E240 WeakPolarHBondContact O-CG 3.45Å; N236-E240 PolarHBondContact O-N 2.92Å; N236-E240 VanDerWaalsContact O-N 3.08Å; Y238-E240 PolarHBondContact O-N 3.45Å; E240-W306 HydrophobicContact CB-CH2 4Å; E240-W306 HydrophobicContact CB-CZ3 4.36Å; E240-W306 WeakPolarHBondContact O-CZ3 2.85Å
241R94.5Very high95.9Very high10 Ų1061.9 Ų61.94%0.03829%0.285CS..THydrogen-bonded Turntrans-10717.9-173.9-66.2159.2-162.172.15.7112.8Y237 Y238 E239 E243 V244 F245 W306 D313 I315Y237-R241 VanDerWaalsContact CD2-NH1 3.3Å; Y237-R241 VanDerWaalsContact CE2-CZ 3.44Å; Y237-R241 PolarHBondContact O-N 3.3Å; Y237-R241 PolarHBondContact O-NH1 2.82Å; Y238-R241 CarbonylContact O-C 3.5Å; Y238-R241 PolarHBondContact O-N 3.03Å; E239-R241 VanDerWaalsContact C-N 3.28Å; E239-R241 PolarHBondContact O-N 2.92Å; R241-E243 VanDerWaalsContact C-N 3.28Å; R241-E243 PolarHBondContact O-N 3.4Å; R241-V244 PolarHBondContact O-N 2.96Å; R241-V244 VanDerWaalsContact O-N 3.16Å; R241-F245 HydrophobicContact CB-CD2 3.94Å; R241-F245 HydrophobicContact CB-CE2 3.58Å; R241-F245 HydrophobicContact CB-CZ 4.4Å; R241-F245 WeakPolarHBondContact O-CD2 3.36Å; R241-F245 PolarHBondContact O-N 3.33Å; R241-W306 HydrophobicContact CG-CD2 4.12Å; R241-W306 HydrophobicContact CG-CE3 4.15Å; R241-W306 HydrophobicContact CG-CH2 3.66Å; R241-W306 HydrophobicContact CG-CZ2 3.6Å; R241-W306 HydrophobicContact CG-CZ3 3.94Å; R241-D313 IonicContact CZ-OD2 3.4Å; R241-D313 IonicContact NE-OD2 3.98Å; R241-D313 IonicContact NH2-OD2 2.91Å; R241-D313 PolarHBondContact NH2-OD2 3.31Å; R241-I315 HydrophobicContact CB-CD1 4.05Å; R241-I315 HydrophobicContact CG-CD1 3.84Å; R241-I315 HydrophobicContact CG-CG1 3.97Å
242R95.1Very high95.7Very high146 Ų14662.1 Ų62.155%0.55129%0.285SS*.Hα-helixtrans-57.3-40.7-167.6-178.3179.5172.5-157.2-2.8112.9Y238 E239 F245 A246Y238-R242 HydrophobicContact CE1-CG 4.12Å; Y238-R242 WeakPolarHBondContact O-CA 3.49Å; Y238-R242 WeakPolarHBondContact O-CB 3.01Å; Y238-R242 PolarHBondContact O-N 3.33Å; E239-R242 WeakPolarHBondContact O-CB 3.45Å; E239-R242 PolarHBondContact O-N 2.85Å; R242-F245 PolarHBondContact O-N 3.38Å; R242-A246 WeakPolarHBondContact O-CB 3.47Å; R242-A246 PolarHBondContact O-N 3.01Å
243E94.9Very high95.5Very high111 Ų11160.7 Ų60.752%0.51928%0.281SS..Hα-helixtrans-61.6-45.9-179.1-178.8164.7-161.100112R241 A246 K247 A302R241-E243 VanDerWaalsContact C-N 3.28Å; R241-E243 PolarHBondContact O-N 3.4Å; E243-A246 PolarHBondContact O-N 2.95Å; E243-K247 WeakPolarHBondContact O-CG 3.31Å; E243-K247 PolarHBondContact O-N 3.45Å; E243-A302 HydrophobicContact CG-CB 4.43Å
244V95.8Very high95.4Very high6 Ų657.3 Ų57.34%0.03626%0.264CS..Hα-helixtrans-64.6-44.5179.7178.90000111R241 A246 K247 F248 A302 V303 W306 I315 P322R241-V244 PolarHBondContact O-N 2.96Å; R241-V244 VanDerWaalsContact O-N 3.16Å; V244-A246 PolarHBondContact O-N 3.29Å; V244-K247 PolarHBondContact O-N 2.98Å; V244-F248 WeakPolarHBondContact O-CB 3.35Å; V244-F248 PolarHBondContact O-N 2.84Å; V244-A302 HydrophobicContact CG2-CB 3.88Å; V244-A302 WeakPolarHBondContact CG2-O 3.39Å; V244-V303 HydrophobicContact CG1-CG2 3.68Å; V244-W306 HydrophobicContact CG2-CB 4.25Å; V244-I315 HydrophobicContact CB-CD1 3.58Å; V244-I315 HydrophobicContact CG1-CD1 3.67Å; V244-I315 HydrophobicContact CG1-CG2 4.28Å; V244-I315 HydrophobicContact CG2-CD1 3.44Å; V244-I315 VanDerWaalsContact CG2-CD1 3.44Å; V244-P322 HydrophobicContact CG1-CG 4.16Å
245F95.7Very high95.3Very high2 Ų257.8 Ų57.81%0.00927%0.266CS..Hα-helixtrans-63.5-39.8176.1-68.9-53.4000112.5C201 K202 Y237 Y238 R241 R242 F248 E249 I315 V317C201-F245 HydrophobicContact CB-CZ 4.39Å; C201-F245 VanDerWaalsContact O-CE1 3.25Å; C201-F245 WeakPolarHBondContact O-CE1 3.4Å; C201-F245 WeakPolarHBondContact O-CZ 3.38Å; K202-F245 HydrophobicContact CB-CE1 4.37Å; K202-F245 HydrophobicContact CG-CD1 3.97Å; K202-F245 HydrophobicContact CG-CE1 4.18Å; Y237-F245 HydrophobicContact CD1-CE2 4.24Å; Y237-F245 HydrophobicContact CD1-CZ 4.3Å; Y237-F245 AromaticContact CE1-CE2 3.96Å; Y237-F245 HydrophobicContact CE1-CE2 3.96Å; Y237-F245 AromaticContact CE1-CZ 3.6Å; Y237-F245 HydrophobicContact CE1-CZ 3.6Å; Y238-F245 HydrophobicContact CD2-CB 4.49Å; Y238-F245 AromaticContact CD2-CD2 3.82Å; Y238-F245 HydrophobicContact CD2-CD2 3.82Å; Y238-F245 HydrophobicContact CD2-CE2 4.48Å; Y238-F245 HydrophobicContact CD2-CG 4.38Å; Y238-F245 HydrophobicContact CE2-CB 3.99Å; Y238-F245 HydrophobicContact CE2-CD2 4.18Å; Y238-F245 HydrophobicContact CE2-CG 4.36Å; R241-F245 HydrophobicContact CB-CD2 3.94Å; R241-F245 HydrophobicContact CB-CE2 3.58Å; R241-F245 HydrophobicContact CB-CZ 4.4Å; R241-F245 WeakPolarHBondContact O-CD2 3.36Å; R241-F245 PolarHBondContact O-N 3.33Å; R242-F245 PolarHBondContact O-N 3.38Å; F245-F248 PolarHBondContact O-N 3.41Å; F245-E249 WeakPolarHBondContact O-CB 3.39Å; F245-E249 PolarHBondContact O-N 2.66Å; F245-I315 HydrophobicContact CE1-CG2 4.26Å; F245-I315 HydrophobicContact CZ-CG2 4.18Å; F245-V317 HydrophobicContact CE1-CG2 4.16Å
246A95.5Very high95.1Very high44 Ų4454.5 Ų54.536%0.36426%0.263SS..Hα-helixtrans-64-42.6177.100000112.2R242 E243 V244 Q250R242-A246 WeakPolarHBondContact O-CB 3.47Å; R242-A246 PolarHBondContact O-N 3.01Å; E243-A246 PolarHBondContact O-N 2.95Å; V244-A246 PolarHBondContact O-N 3.29Å; A246-Q250 WeakPolarHBondContact O-CB 3.38Å; A246-Q250 PolarHBondContact O-N 2.89Å
247K96.3Very high94.8Very high56 Ų5653.6 Ų53.624%0.24326%0.26CS..Hα-helixtrans-64.8-41.1174.5-66.6-54.6-170.1173.70112E243 V244 Q250 W251 E298 V299 A302E243-K247 WeakPolarHBondContact O-CG 3.31Å; E243-K247 PolarHBondContact O-N 3.45Å; V244-K247 PolarHBondContact O-N 2.98Å; K247-Q250 PolarHBondContact O-N 3.4Å; K247-W251 PolarHBondContact O-N 3.41Å; K247-W251 VanDerWaalsContact O-N 3.09Å; K247-E298 HydrophobicContact CD-CB 4.1Å; K247-E298 IonicContact NZ-OE2 2.62Å; K247-E298 PolarHBondContact NZ-OE2 3.21Å; K247-V299 VanDerWaalsContact C-CG2 3.49Å; K247-V299 HydrophobicContact CB-CG2 3.91Å; K247-V299 WeakPolarHBondContact O-CG2 3.43Å; K247-A302 HydrophobicContact CG-CB 4.18Å
248F95.7Very high94.6Very high3 Ų353.6 Ų53.61%0.01326%0.261CS..Hα-helixtrans-64.5-44.6177.6-172-92000111.6K202 V244 F245 Q250 W251 E252 V299 V317 Y318 P322 A325 I326K202-F248 HydrophobicContact CD-CD1 4.17Å; K202-F248 HydrophobicContact CD-CE1 4.19Å; K202-F248 HydrophobicContact CG-CD1 4.23Å; K202-F248 HydrophobicContact CG-CE1 4.43Å; V244-F248 WeakPolarHBondContact O-CB 3.35Å; V244-F248 PolarHBondContact O-N 2.84Å; F245-F248 PolarHBondContact O-N 3.41Å; F248-Q250 VanDerWaalsContact C-N 3.33Å; F248-Q250 PolarHBondContact O-N 2.92Å; F248-W251 HydrophobicContact CZ-CE3 4.49Å; F248-W251 HydrophobicContact CZ-CZ3 4.41Å; F248-W251 WeakPolarHBondContact O-CB 3.32Å; F248-W251 PolarHBondContact O-N 3.27Å; F248-W251 VanDerWaalsContact O-N 3.12Å; F248-E252 HydrophobicContact CD1-CG 4.02Å; F248-E252 HydrophobicContact CE1-CG 3.67Å; F248-E252 WeakPolarHBondContact CE1-OE1 3.44Å; F248-E252 HydrophobicContact CZ-CG 4.34Å; F248-E252 PolarHBondContact O-N 3.01Å; F248-V299 HydrophobicContact CB-CG2 4.48Å; F248-V299 HydrophobicContact CD2-CG1 4.33Å; F248-V317 HydrophobicContact CD1-CG1 4.3Å; F248-V317 HydrophobicContact CD2-CG1 4.45Å; F248-V317 HydrophobicContact CE1-CG1 3.65Å; F248-V317 HydrophobicContact CE2-CG1 3.82Å; F248-V317 HydrophobicContact CZ-CG1 3.4Å; F248-V317 VanDerWaalsContact CZ-CG1 3.4Å; F248-Y318 HydrophobicContact CE1-CE2 4.04Å; F248-Y318 HydrophobicContact CZ-CE2 4.21Å; F248-P322 HydrophobicContact CD2-CB 3.91Å; F248-P322 HydrophobicContact CE2-CB 4.3Å; F248-A325 HydrophobicContact CE2-CB 4.29Å; F248-A325 HydrophobicContact CZ-CB 4.36Å; F248-I326 HydrophobicContact CD2-CD1 4.32Å; F248-I326 HydrophobicContact CD2-CG1 4.39Å; F248-I326 HydrophobicContact CE2-CD1 4.28Å; F248-I326 HydrophobicContact CE2-CG1 3.86Å
249E94.5Very high94.4Very high69 Ų6954.5 Ų54.532%0.32227%0.268SS..Hα-helixtrans-62.1-39.9176-176.5174.2-160.100111.8F245 W251 E252 Q253F245-E249 WeakPolarHBondContact O-CB 3.39Å; F245-E249 PolarHBondContact O-N 2.66Å; E249-W251 VanDerWaalsContact C-N 3.3Å; E249-W251 PolarHBondContact O-N 3.43Å; E249-E252 PolarHBondContact O-N 3.36Å; E249-Q253 VanDerWaalsContact O-CG 3.29Å; E249-Q253 WeakPolarHBondContact O-CG 3.43Å; E249-Q253 PolarHBondContact O-N 3.24Å
250Q94.8Very high94.1Very high81 Ų8151.7 Ų51.738%0.37926%0.255SS..Hα-helixtrans-60.5-39.9173.5-174.9-176.80.200112.1A246 K247 F248 T254A246-Q250 WeakPolarHBondContact O-CB 3.38Å; A246-Q250 PolarHBondContact O-N 2.89Å; K247-Q250 PolarHBondContact O-N 3.4Å; F248-Q250 VanDerWaalsContact C-N 3.33Å; F248-Q250 PolarHBondContact O-N 2.92Å; Q250-T254 WeakPolarHBondContact O-CB 3.37Å; Q250-T254 PolarHBondContact O-N 3.21Å; Q250-T254 PolarHBondContact O-OG1 3.25Å
251W96.8Very high93.8Very high5 Ų547.8 Ų47.82%0.01924%0.238CC..Hα-helixtrans-64.6-45.8173.3174.990.8000111.2K247 F248 E249 Q253 T254 W255 A295 V299 I326 V329 E330K247-W251 PolarHBondContact O-N 3.41Å; K247-W251 VanDerWaalsContact O-N 3.09Å; F248-W251 HydrophobicContact CZ-CE3 4.49Å; F248-W251 HydrophobicContact CZ-CZ3 4.41Å; F248-W251 WeakPolarHBondContact O-CB 3.32Å; F248-W251 PolarHBondContact O-N 3.27Å; F248-W251 VanDerWaalsContact O-N 3.12Å; E249-W251 VanDerWaalsContact C-N 3.3Å; E249-W251 PolarHBondContact O-N 3.43Å; W251-Q253 PolarHBondContact O-N 3.26Å; W251-T254 PolarHBondContact O-N 3.4Å; W251-W255 HydrophobicContact CH2-CD2 4.48Å; W251-W255 HydrophobicContact CH2-CG 4.36Å; W251-W255 HydrophobicContact CZ2-CB 4.47Å; W251-W255 HydrophobicContact CZ2-CD2 4.2Å; W251-W255 HydrophobicContact CZ2-CE3 4.08Å; W251-W255 HydrophobicContact CZ2-CG 4.36Å; W251-W255 WeakPolarHBondContact O-CB 3.37Å; W251-W255 PolarHBondContact O-N 3.1Å; W251-A295 HydrophobicContact CB-CB 3.98Å; W251-A295 HydrophobicContact CG-CB 4.47Å; W251-V299 HydrophobicContact CB-CG2 4.25Å; W251-I326 HydrophobicContact CD2-CD1 3.82Å; W251-I326 HydrophobicContact CD2-CG1 3.66Å; W251-I326 HydrophobicContact CD2-CG2 4.46Å; W251-I326 HydrophobicContact CE3-CD1 4.22Å; W251-I326 HydrophobicContact CE3-CG1 3.73Å; W251-I326 HydrophobicContact CG-CD1 3.93Å; W251-I326 HydrophobicContact CG-CG1 4.32Å; W251-I326 HydrophobicContact CH2-CB 4.23Å; W251-I326 HydrophobicContact CH2-CG1 3.93Å; W251-I326 HydrophobicContact CH2-CG2 4.26Å; W251-I326 HydrophobicContact CZ2-CB 3.99Å; W251-I326 HydrophobicContact CZ2-CG1 3.85Å; W251-I326 HydrophobicContact CZ2-CG2 3.53Å; W251-I326 HydrophobicContact CZ3-CG1 3.86Å; W251-V329 HydrophobicContact CH2-CB 3.9Å; W251-V329 HydrophobicContact CH2-CG1 3.87Å; W251-V329 HydrophobicContact CH2-CG2 4.29Å; W251-E330 HydrophobicContact CZ2-CG 4.4Å
252E93.9Very high93.5Very high17 Ų1748.5 Ų48.58%0.07924%0.242CC..Hα-helixtrans-58.1-44.9177-74.3-176.8131.900111.9K202 F248 E249 W255 S256 Y318 F410K202-E252 WeakPolarHBondContact CE-OE2 3.41Å; K202-E252 IonicContact NZ-OE1 3.75Å; K202-E252 IonicContact NZ-OE2 3.43Å; K202-E252 PolarHBondContact NZ-OE2 3.48Å; F248-E252 HydrophobicContact CD1-CG 4.02Å; F248-E252 HydrophobicContact CE1-CG 3.67Å; F248-E252 WeakPolarHBondContact CE1-OE1 3.44Å; F248-E252 HydrophobicContact CZ-CG 4.34Å; F248-E252 PolarHBondContact O-N 3.01Å; E249-E252 PolarHBondContact O-N 3.36Å; E252-W255 WeakPolarHBondContact O-CB 3.26Å; E252-W255 PolarHBondContact O-N 3.45Å; E252-S256 PolarHBondContact O-N 2.97Å; E252-Y318 PolarHBondContact OE1-OH 3.38Å; E252-F410 WeakPolarHBondContact OE1-CD2 3.48Å; E252-F410 WeakPolarHBondContact OE1-CG 3.31Å
253Q94.3Very high93Very high114 Ų11450 Ų5053%0.53325%0.247SC..Hα-helixtrans-62.1-44.5176.7-711727.800111.6E249 W251 W255 S256 V257E249-Q253 VanDerWaalsContact O-CG 3.29Å; E249-Q253 WeakPolarHBondContact O-CG 3.43Å; E249-Q253 PolarHBondContact O-N 3.24Å; W251-Q253 PolarHBondContact O-N 3.26Å; Q253-W255 VanDerWaalsContact C-N 3.29Å; Q253-W255 PolarHBondContact O-N 3.3Å; Q253-S256 WeakPolarHBondContact O-CB 3.49Å; Q253-S256 PolarHBondContact O-N 3.35Å; Q253-V257 WeakPolarHBondContact O-CG2 3.38Å; Q253-V257 PolarHBondContact O-N 3.39Å; Q253-V257 VanDerWaalsContact O-N 3.13Å
254T93.7Very high92.3Very high23 Ų2348.5 Ų48.514%0.14124%0.24CC..Hα-helixtrans-65.6-35.9177.7-50.20000111.1Q250 W251 V257 K258 T288 K291 L292Q250-T254 WeakPolarHBondContact O-CB 3.37Å; Q250-T254 PolarHBondContact O-N 3.21Å; Q250-T254 PolarHBondContact O-OG1 3.25Å; W251-T254 PolarHBondContact O-N 3.4Å; T254-V257 PolarHBondContact O-N 2.86Å; T254-K258 PolarHBondContact O-N 3.38Å; T254-K258 VanDerWaalsContact O-N 3.16Å; T254-T288 HydrophobicContact CG2-CG2 4.15Å; T254-K291 HydrophobicContact CG2-CB 3.81Å; T254-L292 HydrophobicContact CG2-CD2 3.82Å; T254-L292 HydrophobicContact CG2-CG 3.72Å
255W94.9Very high91.6Very high11 Ų1150.1 Ų50.14%0.04225%0.251CS..Hα-helixtrans-66.9-42.1176.1-175.2-99.8000111.9W251 E252 Q253 V257 K258 L259 L292 V329 E330 Y333W251-W255 HydrophobicContact CH2-CD2 4.48Å; W251-W255 HydrophobicContact CH2-CG 4.36Å; W251-W255 HydrophobicContact CZ2-CB 4.47Å; W251-W255 HydrophobicContact CZ2-CD2 4.2Å; W251-W255 HydrophobicContact CZ2-CE3 4.08Å; W251-W255 HydrophobicContact CZ2-CG 4.36Å; W251-W255 WeakPolarHBondContact O-CB 3.37Å; W251-W255 PolarHBondContact O-N 3.1Å; E252-W255 WeakPolarHBondContact O-CB 3.26Å; E252-W255 PolarHBondContact O-N 3.45Å; Q253-W255 VanDerWaalsContact C-N 3.29Å; Q253-W255 PolarHBondContact O-N 3.3Å; W255-V257 VanDerWaalsContact C-N 3.32Å; W255-V257 PolarHBondContact O-N 2.91Å; W255-K258 HydrophobicContact CE3-CD 4.19Å; W255-K258 HydrophobicContact CZ3-CD 4.04Å; W255-K258 WeakPolarHBondContact O-CB 3.32Å; W255-K258 PolarHBondContact O-N 2.96Å; W255-K258 VanDerWaalsContact O-N 3.1Å; W255-L259 PolarHBondContact O-N 2.96Å; W255-L259 VanDerWaalsContact O-N 3.09Å; W255-L292 HydrophobicContact CB-CD2 4.05Å; W255-L292 HydrophobicContact CE3-CD1 3.85Å; W255-L292 HydrophobicContact CE3-CD2 3.97Å; W255-L292 HydrophobicContact CZ3-CD1 4.28Å; W255-V329 HydrophobicContact CD2-CG1 4.45Å; W255-V329 HydrophobicContact CZ2-CG1 3.92Å; W255-E330 HydrophobicContact CH2-CB 4.46Å; W255-E330 HydrophobicContact CH2-CG 3.87Å; W255-E330 HydrophobicContact CZ3-CG 3.78Å; W255-Y333 AromaticContact CH2-CD1 4Å; W255-Y333 HydrophobicContact CH2-CD1 4Å; W255-Y333 AromaticContact CH2-CG 3.95Å; W255-Y333 HydrophobicContact CH2-CG 3.95Å; W255-Y333 HydrophobicContact CZ2-CD1 4.28Å; W255-Y333 HydrophobicContact CZ2-CD2 4.13Å; W255-Y333 AromaticContact CZ2-CG 3.75Å; W255-Y333 HydrophobicContact CZ2-CG 3.75Å
256S92.4Very high90.8Very high61 Ų6156.1 Ų56.143%0.42728%0.277SS..Hα-helixtrans-57.1-44.5173.2-177.70000111.8E252 Q253 K258 L259 E260E252-S256 PolarHBondContact O-N 2.97Å; Q253-S256 WeakPolarHBondContact O-CB 3.49Å; Q253-S256 PolarHBondContact O-N 3.35Å; S256-K258 VanDerWaalsContact C-N 3.31Å; S256-K258 PolarHBondContact O-N 2.96Å; S256-L259 PolarHBondContact O-N 2.92Å; S256-E260 PolarHBondContact O-N 2.62Å
257V90.7Very high90Very high67 Ų6757.8 Ų57.841%0.40628%0.28SS..Hα-helixtrans-59-41175172.90000111.8Q253 T254 W255 E260 L261 T288Q253-V257 WeakPolarHBondContact O-CG2 3.38Å; Q253-V257 PolarHBondContact O-N 3.39Å; Q253-V257 VanDerWaalsContact O-N 3.13Å; T254-V257 PolarHBondContact O-N 2.86Å; W255-V257 VanDerWaalsContact C-N 3.32Å; W255-V257 PolarHBondContact O-N 2.91Å; V257-E260 PolarHBondContact O-N 2.76Å; V257-L261 HydrophobicContact CG1-CD1 3.98Å; V257-L261 HydrophobicContact CG1-CG 4.38Å; V257-L261 VanDerWaalsContact O-CG 3.26Å; V257-L261 WeakPolarHBondContact O-CG 3.37Å; V257-L261 PolarHBondContact O-N 3.13Å; V257-T288 HydrophobicContact CB-CG2 4.5Å; V257-T288 HydrophobicContact CG1-CG2 4.18Å
258K92.3Very high89.1Confident29 Ų2958.8 Ų58.813%0.12630%0.299CS..Hα-helixtrans-60-47.2175.8174.6-178.8169.8-169.80111.6T254 W255 S256 E260 L261 E262 T288 L292T254-K258 PolarHBondContact O-N 3.38Å; T254-K258 VanDerWaalsContact O-N 3.16Å; W255-K258 HydrophobicContact CE3-CD 4.19Å; W255-K258 HydrophobicContact CZ3-CD 4.04Å; W255-K258 WeakPolarHBondContact O-CB 3.32Å; W255-K258 PolarHBondContact O-N 2.96Å; W255-K258 VanDerWaalsContact O-N 3.1Å; S256-K258 VanDerWaalsContact C-N 3.31Å; S256-K258 PolarHBondContact O-N 2.96Å; K258-E260 VanDerWaalsContact C-N 3.33Å; K258-E260 PolarHBondContact O-N 3.24Å; K258-L261 PolarHBondContact O-N 3.44Å; K258-E262 WeakPolarHBondContact CE-OE1 3.36Å; K258-E262 WeakPolarHBondContact O-CG 3.48Å; K258-E262 PolarHBondContact O-N 3.01Å; K258-E262 VanDerWaalsContact O-N 3.08Å; K258-T288 HydrophobicContact CB-CG2 3.92Å; K258-L292 HydrophobicContact CB-CD1 3.94Å; K258-L292 HydrophobicContact CD-CD1 3.42Å; K258-L292 VanDerWaalsContact CD-CD1 3.42Å; K258-L292 HydrophobicContact CG-CD1 4.26Å
259L91.3Very high88.2Confident58 Ų5862.3 Ų62.330%0.30432%0.324SS..Hα-helixtrans-63-39.3179.4-64.4179.9000112W255 S256 E262 R263 Y333 I409W255-L259 PolarHBondContact O-N 2.96Å; W255-L259 VanDerWaalsContact O-N 3.09Å; S256-L259 PolarHBondContact O-N 2.92Å; L259-E262 PolarHBondContact O-N 3.46Å; L259-R263 PolarHBondContact O-N 3.32Å; L259-Y333 HydrophobicContact CD2-CD2 3.86Å; L259-Y333 HydrophobicContact CD2-CE2 3.84Å; L259-I409 HydrophobicContact CD1-CG2 4.43Å
260E88.6Confident87.2Confident58 Ų5862.6 Ų62.627%0.27132%0.322SS..Hα-helixtrans-67.5-42.4178.1-166.557.4-142.600112S256 V257 K258 E262 R263 H264S256-E260 PolarHBondContact O-N 2.62Å; V257-E260 PolarHBondContact O-N 2.76Å; K258-E260 VanDerWaalsContact C-N 3.33Å; K258-E260 PolarHBondContact O-N 3.24Å; E260-E262 PolarHBondContact O-N 3.43Å; E260-R263 WeakPolarHBondContact O-CB 3.26Å; E260-R263 PolarHBondContact O-N 3.31Å; E260-R263 VanDerWaalsContact O-N 3.13Å; E260-H264 PolarHBondContact O-CD2 3.48Å; E260-H264 PolarHBondContact O-N 2.88Å; E260-H264 IonicContact OE1-CD2 3.75Å; E260-H264 IonicContact OE1-CE1 3.96Å; E260-H264 IonicContact OE1-NE2 3.36Å; E260-H264 PolarHBondContact OE1-NE2 2.75Å
261L87.5Confident86.2Confident33 Ų3365 Ų6517%0.17333%0.332CS..Hα-helixtrans-58-39.4173.1-70.1167.2000111.5V257 K258 C265 V284 T288V257-L261 HydrophobicContact CG1-CD1 3.98Å; V257-L261 HydrophobicContact CG1-CG 4.38Å; V257-L261 VanDerWaalsContact O-CG 3.26Å; V257-L261 WeakPolarHBondContact O-CG 3.37Å; V257-L261 PolarHBondContact O-N 3.13Å; K258-L261 PolarHBondContact O-N 3.44Å; L261-C265 WeakPolarHBondContact O-CB 3.36Å; L261-C265 PolarHBondContact O-N 3.29Å; L261-C265 PolarHBondContact O-SG 2.92Å; L261-V284 HydrophobicContact CD1-CG1 3.76Å; L261-V284 HydrophobicContact CD2-CG1 3.81Å; L261-V284 HydrophobicContact CG-CG1 4.44Å; L261-T288 HydrophobicContact CD1-CG2 4.41Å
262E87.9Confident85.1Confident25 Ų2570 Ų7012%0.11737%0.367CS..Hα-helixtrans-69.6-35.4176.8-72.6178.3-16300113.1K258 L259 E260 C265 K266 Y333K258-E262 WeakPolarHBondContact CE-OE1 3.36Å; K258-E262 WeakPolarHBondContact O-CG 3.48Å; K258-E262 PolarHBondContact O-N 3.01Å; K258-E262 VanDerWaalsContact O-N 3.08Å; L259-E262 PolarHBondContact O-N 3.46Å; E260-E262 PolarHBondContact O-N 3.43Å; E262-C265 WeakPolarHBondContact O-CB 3.34Å; E262-C265 PolarHBondContact O-N 3.44Å; E262-K266 PolarHBondContact O-N 3.43Å; E262-Y333 PolarHBondContact OE1-OH 2.98Å; E262-Y333 WeakPolarHBondContact OE2-CE2 3.37Å; E262-Y333 VanDerWaalsContact OE2-CZ 3.25Å; E262-Y333 PolarHBondContact OE2-OH 3.46Å
263R86.2Confident83.5Confident176 Ų17671.9 Ų71.966%0.66438%0.378SS*.Hα-helixtrans-62.8-48.1173.1-173.3-175.8-177.6175.52110.9L259 E260 C265 K266L259-R263 PolarHBondContact O-N 3.32Å; E260-R263 WeakPolarHBondContact O-CB 3.26Å; E260-R263 PolarHBondContact O-N 3.31Å; E260-R263 VanDerWaalsContact O-N 3.13Å; R263-C265 PolarHBondContact O-N 2.94Å; R263-K266 WeakPolarHBondContact O-CB 3.46Å; R263-K266 PolarHBondContact O-N 3.03Å
264H80.4Confident81.9Confident81 Ų8178.6 Ų78.638%0.37540%0.398SS..Hα-helixtrans-59.5-35.9173.7-74.8-63.4000112.1E260 K266 D267E260-H264 PolarHBondContact O-CD2 3.48Å; E260-H264 PolarHBondContact O-N 2.88Å; E260-H264 IonicContact OE1-CD2 3.75Å; E260-H264 IonicContact OE1-CE1 3.96Å; E260-H264 IonicContact OE1-NE2 3.36Å; E260-H264 PolarHBondContact OE1-NE2 2.75Å; H264-K266 PolarHBondContact O-N 3.35Å; H264-K266 VanDerWaalsContact O-N 3.15Å; H264-D267 PolarHBondContact O-N 3.16Å; H264-D267 VanDerWaalsContact O-N 3.1Å
265C80.6Confident80.7Confident40 Ų4080.3 Ų80.327%0.2742%0.421SS..THydrogen-bonded Turntrans-64.6-15.7174.2-72.90000114L261 E262 R263 R270L261-C265 WeakPolarHBondContact O-CB 3.36Å; L261-C265 PolarHBondContact O-N 3.29Å; L261-C265 PolarHBondContact O-SG 2.92Å; E262-C265 WeakPolarHBondContact O-CB 3.34Å; E262-C265 PolarHBondContact O-N 3.44Å; R263-C265 PolarHBondContact O-N 2.94Å; C265-R270 PolarHBondContact O-NH1 2.89Å
266K78.8Confident79.9Confident127 Ų12781.8 Ų81.855%0.55244%0.439SS*.THydrogen-bonded Turntrans-87.6-14.5175.1-63.9-173.2-172.3-160.90112.9E262 R263 H264 E340E262-K266 PolarHBondContact O-N 3.43Å; R263-K266 WeakPolarHBondContact O-CB 3.46Å; R263-K266 PolarHBondContact O-N 3.03Å; H264-K266 PolarHBondContact O-N 3.35Å; H264-K266 VanDerWaalsContact O-N 3.15Å; K266-E340 VanDerWaalsContact NZ-CD 3.3Å; K266-E340 IonicContact NZ-OE1 2.92Å; K266-E340 PolarHBondContact NZ-OE1 3.17Å; K266-E340 IonicContact NZ-OE2 2.77Å; K266-E340 PolarHBondContact NZ-OE2 3.31Å; K266-E340 VanDerWaalsContact NZ-OE2 3.1Å
267D79Confident79.4Confident79 Ų7981.8 Ų81.842%0.42244%0.437SS..  trans-72.6127.4179.4-171.4-3.5000111.3H264 S269 R270H264-D267 PolarHBondContact O-N 3.16Å; H264-D267 VanDerWaalsContact O-N 3.1Å; D267-S269 VanDerWaalsContact C-N 3.26Å; D267-S269 PolarHBondContact O-N 3.4Å; D267-S269 WeakPolarHBondContact OD1-CB 3.44Å; D267-S269 PolarHBondContact OD1-N 3.24Å; D267-S269 PolarHBondContact OD1-OG 3.36Å; D267-S269 PolarHBondContact OD2-OG 2.95Å; D267-R270 WeakPolarHBondContact O-CB 3.38Å; D267-R270 VanDerWaalsContact O-CD 3.31Å; D267-R270 WeakPolarHBondContact O-CD 3.35Å; D267-R270 WeakPolarHBondContact O-CG 3.37Å; D267-R270 PolarHBondContact O-N 3.46Å
268A77.3Confident79Confident78 Ų7881.7 Ų81.765%0.64543%0.433SS*.G310 helixtrans-70.3-23.1176.900000112.5R270 F271A268-R270 PolarHBondContact O-N 3.41Å; A268-F271 WeakPolarHBondContact O-CD2 3.46Å; A268-F271 PolarHBondContact O-N 2.82Å
269S76.4Confident78.7Confident77 Ų7785.7 Ų85.754%0.53846%0.456SS..G310 helixtrans-60.9-25.6177.682.20000112.5D267 F271 S272D267-S269 VanDerWaalsContact C-N 3.26Å; D267-S269 PolarHBondContact O-N 3.4Å; D267-S269 WeakPolarHBondContact OD1-CB 3.44Å; D267-S269 PolarHBondContact OD1-N 3.24Å; D267-S269 PolarHBondContact OD1-OG 3.36Å; D267-S269 PolarHBondContact OD2-OG 2.95Å; S269-F271 PolarHBondContact O-N 2.97Å; S269-S272 VanDerWaalsContact O-CB 3.28Å; S269-S272 WeakPolarHBondContact O-CB 3.42Å; S269-S272 PolarHBondContact O-N 2.91Å
270R74.3Confident78.3Confident75 Ų7588.7 Ų88.728%0.28347%0.468SS..G310 helixtrans-56.5-22.7179.983.3-177.3-170.1172.7-6114C265 D267 A268 S272 N273 L278C265-R270 PolarHBondContact O-NH1 2.89Å; D267-R270 WeakPolarHBondContact O-CB 3.38Å; D267-R270 VanDerWaalsContact O-CD 3.31Å; D267-R270 WeakPolarHBondContact O-CD 3.35Å; D267-R270 WeakPolarHBondContact O-CG 3.37Å; D267-R270 PolarHBondContact O-N 3.46Å; A268-R270 PolarHBondContact O-N 3.41Å; R270-S272 PolarHBondContact O-N 3.35Å; R270-N273 VanDerWaalsContact O-CG 3.27Å; R270-N273 PolarHBondContact O-ND2 3.37Å; R270-N273 PolarHBondContact O-OD1 2.94Å; R270-L278 HydrophobicContact CG-CD2 4.26Å
271F73.5Confident78.2Confident132 Ų13288 Ų8858%0.57947%0.465SS*.G310 helixtrans-79.1-6.4-180-65.6-71.2000113.2A268 S269 N273A268-F271 WeakPolarHBondContact O-CD2 3.46Å; A268-F271 PolarHBondContact O-N 2.82Å; S269-F271 PolarHBondContact O-N 2.97Å; F271-N273 WeakPolarHBondContact CA-ND2 3.35Å; F271-N273 PolarHBondContact O-N 3.48Å
272S72.4Confident78.2Confident109 Ų10990.4 Ų90.476%0.76248%0.475SS*.  trans-74.457.8170.6-162.40000111.4S269 R270 R274S269-S272 VanDerWaalsContact O-CB 3.28Å; S269-S272 WeakPolarHBondContact O-CB 3.42Å; S269-S272 PolarHBondContact O-N 2.91Å; R270-S272 PolarHBondContact O-N 3.35Å; S272-R274 PolarHBondContact O-N 3.4Å
273N61.2Low78.4Confident56 Ų5695.6 Ų95.630%0.29950%0.497SS..  trans-84.256.6-166.5-83.5-61.9000115.3R270 F271 G275 L278R270-N273 VanDerWaalsContact O-CG 3.27Å; R270-N273 PolarHBondContact O-ND2 3.37Å; R270-N273 PolarHBondContact O-OD1 2.94Å; F271-N273 WeakPolarHBondContact CA-ND2 3.35Å; F271-N273 PolarHBondContact O-N 3.48Å; N273-G275 PolarHBondContact O-N 2.86Å; N273-L278 WeakPolarHBondContact ND2-CD1 3.37Å; N273-L278 WeakPolarHBondContact ND2-CG 3.47Å
274R59.5Low78.6Confident255 Ų25589.9 Ų89.996%0.96248%0.482SS*.THydrogen-bonded Turntrans-76.274.5162.9-94-178.6163.6174.9-4.5109.7S272S272-R274 PolarHBondContact O-N 3.4Å
275G69.8Low79.1Confident60 Ų6089.3 Ų89.362%0.61948%0.478SS*.THydrogen-bonded Turntrans152.18.317100000119.8N273N273-G275 PolarHBondContact O-N 2.86Å
276G78.4Confident79.7Confident41 Ų4192.8 Ų92.842%0.42349%0.488SS..SBendtrans77.717.7177.400000115.4L278 L279 Q280G276-L278 PolarHBondContact O-N 3.21Å; G276-L279 PolarHBondContact O-N 2.6Å; G276-L279 VanDerWaalsContact O-N 3.14Å; G276-Q280 PolarHBondContact O-N 3.2Å
277V80.8Confident80.5Confident62 Ų6288.8 Ų88.838%0.37648%0.48SS..Hα-helixtrans-55.3-44.6-179.3178.80000112L279 Q280 E281V277-L279 VanDerWaalsContact C-N 3.28Å; V277-L279 PolarHBondContact O-N 2.97Å; V277-Q280 CarbonylContact O-C 3.58Å; V277-Q280 WeakPolarHBondContact O-CA 3.48Å; V277-Q280 WeakPolarHBondContact O-CB 3.34Å; V277-Q280 PolarHBondContact O-N 3.4Å; V277-E281 HydrophobicContact CG1-CG 4.17Å; V277-E281 WeakPolarHBondContact O-CG 3.38Å; V277-E281 PolarHBondContact O-N 3.38Å
278L83.2Confident81.1Confident64 Ų6485.5 Ų85.534%0.33546%0.462SS..Hα-helixtrans-56.7-37.6177.7-73.6176.4000114.2R270 N273 G276 Q280 E282R270-L278 HydrophobicContact CG-CD2 4.26Å; N273-L278 WeakPolarHBondContact ND2-CD1 3.37Å; N273-L278 WeakPolarHBondContact ND2-CG 3.47Å; G276-L278 PolarHBondContact O-N 3.21Å; L278-Q280 VanDerWaalsContact C-N 3.32Å; L278-E282 WeakPolarHBondContact O-CB 3.33Å; L278-E282 PolarHBondContact O-N 2.99Å
279L84.6Confident81.9Confident114 Ų11484.8 Ų84.860%0.59745%0.447SS*.Hα-helixtrans-70.7-35.4179-17862.6000110.6G276 V277 K283G276-L279 PolarHBondContact O-N 2.6Å; G276-L279 VanDerWaalsContact O-N 3.14Å; V277-L279 VanDerWaalsContact C-N 3.28Å; V277-L279 PolarHBondContact O-N 2.97Å; L279-K283 WeakPolarHBondContact O-CB 3.4Å; L279-K283 VanDerWaalsContact O-CG 3.26Å; L279-K283 WeakPolarHBondContact O-CG 3.41Å; L279-K283 PolarHBondContact O-N 2.9Å
280Q84.7Confident82.8Confident120 Ų12090.4 Ų90.456%0.56146%0.457SS*.Hα-helixtrans-67.9-46.3174-65.7177.1-10.900110.8G276 V277 L278 E282 K283 V284G276-Q280 PolarHBondContact O-N 3.2Å; V277-Q280 CarbonylContact O-C 3.58Å; V277-Q280 WeakPolarHBondContact O-CA 3.48Å; V277-Q280 WeakPolarHBondContact O-CB 3.34Å; V277-Q280 PolarHBondContact O-N 3.4Å; L278-Q280 VanDerWaalsContact C-N 3.32Å; Q280-E282 PolarHBondContact O-N 3.31Å; Q280-K283 WeakPolarHBondContact O-CB 3.47Å; Q280-K283 PolarHBondContact O-N 2.93Å; Q280-K283 VanDerWaalsContact O-N 3.17Å; Q280-V284 WeakPolarHBondContact O-CB 3.48Å; Q280-V284 VanDerWaalsContact O-CG2 3.28Å; Q280-V284 WeakPolarHBondContact O-CG2 3.32Å; Q280-V284 PolarHBondContact O-N 3.4Å
281E86.2Confident83.8Confident44 Ų4493.3 Ų93.321%0.20647%0.471CS..Hα-helixtrans-54.9-48.3175.1-72.4178178.600111.8V277 K283 V284 K285V277-E281 HydrophobicContact CG1-CG 4.17Å; V277-E281 WeakPolarHBondContact O-CG 3.38Å; V277-E281 PolarHBondContact O-N 3.38Å; E281-K283 PolarHBondContact O-N 3.37Å; E281-V284 PolarHBondContact O-N 3.48Å; E281-K285 WeakPolarHBondContact O-CB 3.31Å; E281-K285 PolarHBondContact O-N 2.94Å
282E87.4Confident84.9Confident83 Ų8387.4 Ų87.439%0.38845%0.446SS..Hα-helixtrans-67.1-36.3178.8-176.562.2-164.200112.2L278 Q280 K286L278-E282 WeakPolarHBondContact O-CB 3.33Å; L278-E282 PolarHBondContact O-N 2.99Å; Q280-E282 PolarHBondContact O-N 3.31Å; E282-K286 WeakPolarHBondContact O-CG 3.36Å; E282-K286 PolarHBondContact O-N 3.48Å; E282-K286 WeakPolarHBondContact OE1-CE 3.3Å; E282-K286 IonicContact OE1-NZ 3.97Å
283K91Very high86Confident135 Ų13585 Ų8559%0.58743%0.433SS*.Hα-helixtrans-63.4-44.7172.3-80.1177.2179.7-177.40111.3L279 Q280 E281 K286 A287L279-K283 WeakPolarHBondContact O-CB 3.4Å; L279-K283 VanDerWaalsContact O-CG 3.26Å; L279-K283 WeakPolarHBondContact O-CG 3.41Å; L279-K283 PolarHBondContact O-N 2.9Å; Q280-K283 WeakPolarHBondContact O-CB 3.47Å; Q280-K283 PolarHBondContact O-N 2.93Å; Q280-K283 VanDerWaalsContact O-N 3.17Å; E281-K283 PolarHBondContact O-N 3.37Å; K283-K286 PolarHBondContact O-N 2.95Å; K283-A287 WeakPolarHBondContact O-CB 3.48Å; K283-A287 PolarHBondContact O-N 3.11Å
284V90.9Very high87.6Confident55 Ų5589.6 Ų89.633%0.33345%0.446SS..Hα-helixtrans-63.5-45177.61730000109.8L261 Q280 E281 K286 A287 T288L261-V284 HydrophobicContact CD1-CG1 3.76Å; L261-V284 HydrophobicContact CD2-CG1 3.81Å; L261-V284 HydrophobicContact CG-CG1 4.44Å; Q280-V284 WeakPolarHBondContact O-CB 3.48Å; Q280-V284 VanDerWaalsContact O-CG2 3.28Å; Q280-V284 WeakPolarHBondContact O-CG2 3.32Å; Q280-V284 PolarHBondContact O-N 3.4Å; E281-V284 PolarHBondContact O-N 3.48Å; V284-K286 PolarHBondContact O-N 2.95Å; V284-A287 CarbonylContact O-C 3.38Å; V284-A287 WeakPolarHBondContact O-CB 3.44Å; V284-A287 PolarHBondContact O-N 3.41Å; V284-A287 VanDerWaalsContact O-N 3.14Å; V284-T288 WeakPolarHBondContact O-CB 3.19Å; V284-T288 PolarHBondContact O-N 3.38Å; V284-T288 PolarHBondContact O-OG1 3.48Å
285K91.8Very high89.4Confident70 Ų7077.6 Ų77.630%0.30440%0.402SS..Hα-helixtrans-55.9-52175.1-174.7-177.2177.1-173.80112.2E281 A287 T288 D289E281-K285 WeakPolarHBondContact O-CB 3.31Å; E281-K285 PolarHBondContact O-N 2.94Å; K285-A287 VanDerWaalsContact C-N 3.27Å; K285-A287 PolarHBondContact O-N 2.96Å; K285-T288 WeakPolarHBondContact O-CB 3.24Å; K285-T288 PolarHBondContact O-N 3.32Å; K285-T288 VanDerWaalsContact O-N 3.14Å; K285-D289 PolarHBondContact O-N 2.71Å
286K93.4Very high90.6Very high112 Ų11278.6 Ų78.649%0.48739%0.387SS..Hα-helixtrans-60.5-37176.6-73.3179.6-177.61770112.5E282 K283 V284 R290E282-K286 WeakPolarHBondContact O-CG 3.36Å; E282-K286 PolarHBondContact O-N 3.48Å; E282-K286 WeakPolarHBondContact OE1-CE 3.3Å; E282-K286 IonicContact OE1-NZ 3.97Å; K283-K286 PolarHBondContact O-N 2.95Å; V284-K286 PolarHBondContact O-N 2.95Å; K286-R290 WeakPolarHBondContact O-CG 3.27Å; K286-R290 PolarHBondContact O-N 3.37Å
287A93.9Very high91.5Very high44 Ų4483.5 Ų83.536%0.36439%0.393SS..Hα-helixtrans-67.8-41.7175.600000111.6K283 V284 K285 R290 K291K283-A287 WeakPolarHBondContact O-CB 3.48Å; K283-A287 PolarHBondContact O-N 3.11Å; V284-A287 CarbonylContact O-C 3.38Å; V284-A287 WeakPolarHBondContact O-CB 3.44Å; V284-A287 PolarHBondContact O-N 3.41Å; V284-A287 VanDerWaalsContact O-N 3.14Å; K285-A287 VanDerWaalsContact C-N 3.27Å; K285-A287 PolarHBondContact O-N 2.96Å; A287-R290 PolarHBondContact O-N 2.87Å; A287-K291 WeakPolarHBondContact O-CG 3.48Å; A287-K291 PolarHBondContact O-N 3.34Å
288T93.4Very high92.3Very high9 Ų981.8 Ų81.86%0.05538%0.381CS..Hα-helixtrans-62.6-43.2175.5-58.70000111.3T254 V257 K258 L261 V284 K285 R290 K291 L292T254-T288 HydrophobicContact CG2-CG2 4.15Å; V257-T288 HydrophobicContact CB-CG2 4.5Å; V257-T288 HydrophobicContact CG1-CG2 4.18Å; K258-T288 HydrophobicContact CB-CG2 3.92Å; L261-T288 HydrophobicContact CD1-CG2 4.41Å; V284-T288 WeakPolarHBondContact O-CB 3.19Å; V284-T288 PolarHBondContact O-N 3.38Å; V284-T288 PolarHBondContact O-OG1 3.48Å; K285-T288 WeakPolarHBondContact O-CB 3.24Å; K285-T288 PolarHBondContact O-N 3.32Å; K285-T288 VanDerWaalsContact O-N 3.14Å; T288-R290 VanDerWaalsContact C-N 3.34Å; T288-R290 PolarHBondContact O-N 3.47Å; T288-K291 CarbonylContact O-C 3.59Å; T288-K291 WeakPolarHBondContact O-CB 3.22Å; T288-K291 PolarHBondContact O-N 3.41Å; T288-K291 VanDerWaalsContact O-N 3.15Å; T288-L292 HydrophobicContact CG2-CD1 4.43Å; T288-L292 PolarHBondContact O-N 2.9Å
289D94.1Very high92.9Very high63 Ų6378.8 Ų78.834%0.33737%0.365SS..Hα-helixtrans-61.8-40.8176-71-30000112.1K285 L292 A293K285-D289 PolarHBondContact O-N 2.71Å; D289-L292 PolarHBondContact O-N 3.32Å; D289-A293 PolarHBondContact O-N 2.76Å
290R95.4Very high93.5Very high195 Ų19576.6 Ų76.674%0.73635%0.351SS*.Hα-helixtrans-64.6-40.8173.5-70173.6-172.2-175.31.1112K286 A287 T288 R294K286-R290 WeakPolarHBondContact O-CG 3.27Å; K286-R290 PolarHBondContact O-N 3.37Å; A287-R290 PolarHBondContact O-N 2.87Å; T288-R290 VanDerWaalsContact C-N 3.34Å; T288-R290 PolarHBondContact O-N 3.47Å; R290-R294 PolarHBondContact O-N 2.96Å; R290-R294 VanDerWaalsContact O-N 3.08Å
291K95.3Very high94.1Very high136 Ų13675.9 Ų75.959%0.59135%0.348SS*.Hα-helixtrans-64.3-40.5176-75.6179.5178.9-177.20111.3T254 A287 T288 R294 A295T254-K291 HydrophobicContact CG2-CB 3.81Å; A287-K291 WeakPolarHBondContact O-CG 3.48Å; A287-K291 PolarHBondContact O-N 3.34Å; T288-K291 CarbonylContact O-C 3.59Å; T288-K291 WeakPolarHBondContact O-CB 3.22Å; T288-K291 PolarHBondContact O-N 3.41Å; T288-K291 VanDerWaalsContact O-N 3.15Å; K291-R294 PolarHBondContact O-N 2.89Å; K291-A295 WeakPolarHBondContact O-CB 3.48Å; K291-A295 PolarHBondContact O-N 3.49Å
292L95.3Very high94.5Very high8 Ų874 Ų744%0.04234%0.341CS..Hα-helixtrans-61.5-48.1175.6-82.3171.6000112.2T254 W255 K258 T288 D289 R294 A295 R296T254-L292 HydrophobicContact CG2-CD2 3.82Å; T254-L292 HydrophobicContact CG2-CG 3.72Å; W255-L292 HydrophobicContact CB-CD2 4.05Å; W255-L292 HydrophobicContact CE3-CD1 3.85Å; W255-L292 HydrophobicContact CE3-CD2 3.97Å; W255-L292 HydrophobicContact CZ3-CD1 4.28Å; K258-L292 HydrophobicContact CB-CD1 3.94Å; K258-L292 HydrophobicContact CD-CD1 3.42Å; K258-L292 VanDerWaalsContact CD-CD1 3.42Å; K258-L292 HydrophobicContact CG-CD1 4.26Å; T288-L292 HydrophobicContact CG2-CD1 4.43Å; T288-L292 PolarHBondContact O-N 2.9Å; D289-L292 PolarHBondContact O-N 3.32Å; L292-R294 PolarHBondContact O-N 2.99Å; L292-A295 PolarHBondContact O-N 2.84Å; L292-R296 WeakPolarHBondContact O-CB 3.39Å; L292-R296 PolarHBondContact O-N 2.96Å
293A95.4Very high94.9Very high60 Ų6070.4 Ų70.450%0.49632%0.324SS..Hα-helixtrans-60.8-36.5176.900000112D289 R297D289-A293 PolarHBondContact O-N 2.76Å; A293-R297 PolarHBondContact O-N 3.21Å
294R96.1Very high95.1Very high151 Ų15167.6 Ų67.657%0.5732%0.315SS*.Hα-helixtrans-68.2-49.3173.3-178.9178.2173.2171.72.9111.8R290 K291 L292 R296 R297 E298R290-R294 PolarHBondContact O-N 2.96Å; R290-R294 VanDerWaalsContact O-N 3.08Å; K291-R294 PolarHBondContact O-N 2.89Å; L292-R294 PolarHBondContact O-N 2.99Å; R294-R296 VanDerWaalsContact C-N 3.31Å; R294-R296 PolarHBondContact O-N 3.38Å; R294-R297 WeakPolarHBondContact O-CB 3.31Å; R294-R297 PolarHBondContact O-N 3.28Å; R294-R297 VanDerWaalsContact O-N 3.1Å; R294-E298 HydrophobicContact CG-CG 4.45Å; R294-E298 WeakPolarHBondContact CG-OE1 3.35Å; R294-E298 IonicContact CZ-OE1 3.54Å; R294-E298 IonicContact NE-OE1 2.78Å; R294-E298 PolarHBondContact NE-OE1 3.13Å; R294-E298 IonicContact NH2-OE1 3.48Å; R294-E298 PolarHBondContact NH2-OE1 2.9Å; R294-E298 WeakPolarHBondContact O-CG 3.03Å; R294-E298 PolarHBondContact O-N 3.46Å
295A96Very high95.3Very high4 Ų470.5 Ų70.53%0.03333%0.325CS..Hα-helixtrans-60.1-40.3-179.700000111.9W251 K291 L292 R297 E298 V299W251-A295 HydrophobicContact CB-CB 3.98Å; W251-A295 HydrophobicContact CG-CB 4.47Å; K291-A295 WeakPolarHBondContact O-CB 3.48Å; K291-A295 PolarHBondContact O-N 3.49Å; L292-A295 PolarHBondContact O-N 2.84Å; A295-R297 VanDerWaalsContact C-N 3.34Å; A295-R297 PolarHBondContact O-N 3.25Å; A295-E298 PolarHBondContact O-N 3.01Å; A295-V299 WeakPolarHBondContact O-CG2 3.1Å; A295-V299 PolarHBondContact O-N 2.95Å
296R96.1Very high95.4Very high81 Ų8168.8 Ų68.831%0.30632%0.317SS..Hα-helixtrans-59.8-41.6174-178.9173.9175.7-175.7-6112.3L292 R294 V299 Q300 I326 E327 E330L292-R296 WeakPolarHBondContact O-CB 3.39Å; L292-R296 PolarHBondContact O-N 2.96Å; R294-R296 VanDerWaalsContact C-N 3.31Å; R294-R296 PolarHBondContact O-N 3.38Å; R296-V299 PolarHBondContact O-N 3.44Å; R296-Q300 PolarHBondContact O-N 2.9Å; R296-Q300 VanDerWaalsContact O-N 3.08Å; R296-I326 HydrophobicContact CG-CG2 4.09Å; R296-E327 IonicContact CZ-OE1 3.41Å; R296-E327 IonicContact NH2-OE1 2.58Å; R296-E327 PolarHBondContact NH2-OE1 2.92Å; R296-E330 IonicContact CZ-OE2 2.6Å; R296-E330 IonicContact NH1-OE2 2.95Å; R296-E330 PolarHBondContact NH1-OE2 2.91Å
297R96.8Very high95.5Very high144 Ų14466 Ų6654%0.54331%0.308SS..Hα-helixtrans-65.4-44.2174.9-73-170.5-60.7111.1-3.5112A293 R294 A295 V299 Q300 E301A293-R297 PolarHBondContact O-N 3.21Å; R294-R297 WeakPolarHBondContact O-CB 3.31Å; R294-R297 PolarHBondContact O-N 3.28Å; R294-R297 VanDerWaalsContact O-N 3.1Å; A295-R297 VanDerWaalsContact C-N 3.34Å; A295-R297 PolarHBondContact O-N 3.25Å; R297-V299 VanDerWaalsContact C-N 3.29Å; R297-V299 PolarHBondContact O-N 3.43Å; R297-Q300 WeakPolarHBondContact O-CB 3.36Å; R297-Q300 PolarHBondContact O-N 3.16Å; R297-Q300 VanDerWaalsContact O-N 3.12Å; R297-E301 IonicContact NH1-OE1 3.1Å; R297-E301 WeakPolarHBondContact O-CB 3.45Å; R297-E301 VanDerWaalsContact O-CG 3.32Å; R297-E301 WeakPolarHBondContact O-CG 3.45Å; R297-E301 PolarHBondContact O-N 3.01Å
298E97.2Very high95.5Very high26 Ų2669.5 Ų69.512%0.12133%0.325CS..Hα-helixtrans-61.9-37.4178.2-67.6-177.8-164.600111.8K247 R294 A295 A302K247-E298 HydrophobicContact CD-CB 4.1Å; K247-E298 IonicContact NZ-OE2 2.62Å; K247-E298 PolarHBondContact NZ-OE2 3.21Å; R294-E298 HydrophobicContact CG-CG 4.45Å; R294-E298 WeakPolarHBondContact CG-OE1 3.35Å; R294-E298 IonicContact CZ-OE1 3.54Å; R294-E298 IonicContact NE-OE1 2.78Å; R294-E298 PolarHBondContact NE-OE1 3.13Å; R294-E298 IonicContact NH2-OE1 3.48Å; R294-E298 PolarHBondContact NH2-OE1 2.9Å; R294-E298 WeakPolarHBondContact O-CG 3.03Å; R294-E298 PolarHBondContact O-N 3.46Å; A295-E298 PolarHBondContact O-N 3.01Å; E298-A302 WeakPolarHBondContact O-CB 3.38Å; E298-A302 PolarHBondContact O-N 3.42Å
299V96.7Very high95.5Very high0 Ų073.1 Ų73.10%035%0.35CS..Hα-helixtrans-62.6-47.5171.7172.60000111.1K247 F248 W251 A295 R296 R297 E301 A302 V303 P322 I326K247-V299 VanDerWaalsContact C-CG2 3.49Å; K247-V299 HydrophobicContact CB-CG2 3.91Å; K247-V299 WeakPolarHBondContact O-CG2 3.43Å; F248-V299 HydrophobicContact CB-CG2 4.48Å; F248-V299 HydrophobicContact CD2-CG1 4.33Å; W251-V299 HydrophobicContact CB-CG2 4.25Å; A295-V299 WeakPolarHBondContact O-CG2 3.1Å; A295-V299 PolarHBondContact O-N 2.95Å; R296-V299 PolarHBondContact O-N 3.44Å; R297-V299 VanDerWaalsContact C-N 3.29Å; R297-V299 PolarHBondContact O-N 3.43Å; V299-E301 VanDerWaalsContact C-N 3.34Å; V299-E301 PolarHBondContact O-N 2.77Å; V299-A302 PolarHBondContact O-N 3.29Å; V299-V303 HydrophobicContact CG1-CG2 4.36Å; V299-V303 WeakPolarHBondContact O-CB 3.4Å; V299-V303 VanDerWaalsContact O-CG2 3.26Å; V299-V303 WeakPolarHBondContact O-CG2 3.35Å; V299-V303 PolarHBondContact O-N 3Å; V299-P322 HydrophobicContact CG1-CB 3.91Å; V299-I326 HydrophobicContact CB-CD1 4.09Å; V299-I326 HydrophobicContact CG1-CD1 3.87Å; V299-I326 HydrophobicContact CG2-CD1 4.15Å
300Q96.6Very high95.4Very high68 Ų6873 Ų7332%0.31835%0.349SS..Hα-helixtrans-60.5-43.2178.7179.868.172.500112.1R296 R297 V303 N304 V323R296-Q300 PolarHBondContact O-N 2.9Å; R296-Q300 VanDerWaalsContact O-N 3.08Å; R297-Q300 WeakPolarHBondContact O-CB 3.36Å; R297-Q300 PolarHBondContact O-N 3.16Å; R297-Q300 VanDerWaalsContact O-N 3.12Å; Q300-V303 PolarHBondContact O-N 3.42Å; Q300-N304 PolarHBondContact NE2-ND2 2.91Å; Q300-N304 PolarHBondContact NE2-OD1 3.13Å; Q300-N304 WeakPolarHBondContact O-CB 3.28Å; Q300-N304 PolarHBondContact O-N 3.46Å; Q300-N304 PolarHBondContact O-ND2 2.95Å; Q300-N304 PolarHBondContact O-OD1 3.4Å; Q300-V323 HydrophobicContact CB-CG2 4.23Å; Q300-V323 VanDerWaalsContact OE1-CG1 3.24Å
301E96.3Very high95.1Very high105 Ų10569.2 Ų69.249%0.49135%0.35SS..Hα-helixtrans-61.4-49.7177.7-72.9163.9-164.900110.7R297 V299 V303 N304 E305R297-E301 IonicContact NH1-OE1 3.1Å; R297-E301 WeakPolarHBondContact O-CB 3.45Å; R297-E301 VanDerWaalsContact O-CG 3.32Å; R297-E301 WeakPolarHBondContact O-CG 3.45Å; R297-E301 PolarHBondContact O-N 3.01Å; V299-E301 VanDerWaalsContact C-N 3.34Å; V299-E301 PolarHBondContact O-N 2.77Å; E301-V303 PolarHBondContact O-N 3.04Å; E301-N304 PolarHBondContact O-N 2.91Å; E301-E305 PolarHBondContact O-N 3.06Å
302A96.1Very high94.9Very high6 Ų666.4 Ų66.45%0.0536%0.36CS..Hα-helixtrans-63.5-38.2179.100000112.8E243 V244 K247 E298 V299 W306E243-A302 HydrophobicContact CG-CB 4.43Å; V244-A302 HydrophobicContact CG2-CB 3.88Å; V244-A302 WeakPolarHBondContact CG2-O 3.39Å; K247-A302 HydrophobicContact CG-CB 4.18Å; E298-A302 WeakPolarHBondContact O-CB 3.38Å; E298-A302 PolarHBondContact O-N 3.42Å; V299-A302 PolarHBondContact O-N 3.29Å; A302-W306 PolarHBondContact O-N 2.91Å
303V95.6Very high94.7Very high6 Ų669 Ų694%0.03637%0.374CS..Hα-helixtrans-65.1-41.1174.5170.60000111.5V244 V299 Q300 E301 W306 N307 P322V244-V303 HydrophobicContact CG1-CG2 3.68Å; V299-V303 HydrophobicContact CG1-CG2 4.36Å; V299-V303 WeakPolarHBondContact O-CB 3.4Å; V299-V303 VanDerWaalsContact O-CG2 3.26Å; V299-V303 WeakPolarHBondContact O-CG2 3.35Å; V299-V303 PolarHBondContact O-N 3Å; Q300-V303 PolarHBondContact O-N 3.42Å; E301-V303 PolarHBondContact O-N 3.04Å; V303-W306 PolarHBondContact O-N 2.75Å; V303-N307 WeakPolarHBondContact O-CB 3.4Å; V303-N307 VanDerWaalsContact O-CG 3.22Å; V303-N307 PolarHBondContact O-N 3.49Å; V303-N307 PolarHBondContact O-ND2 3.44Å; V303-P322 HydrophobicContact CG2-CB 3.89Å; V303-P322 HydrophobicContact CG2-CG 3.64Å
304N94.8Very high94.5Very high77 Ų7770 Ų7041%0.41238%0.375SS..Hα-helixtrans-66.1-41.9178.6-70.1-13.8000111.5Q300 E301 N307 T308Q300-N304 PolarHBondContact NE2-ND2 2.91Å; Q300-N304 PolarHBondContact NE2-OD1 3.13Å; Q300-N304 WeakPolarHBondContact O-CB 3.28Å; Q300-N304 PolarHBondContact O-N 3.46Å; Q300-N304 PolarHBondContact O-ND2 2.95Å; Q300-N304 PolarHBondContact O-OD1 3.4Å; E301-N304 PolarHBondContact O-N 2.91Å; N304-N307 PolarHBondContact O-N 3.36Å; N304-T308 WeakPolarHBondContact O-CB 3.19Å; N304-T308 PolarHBondContact O-N 2.94Å; N304-T308 PolarHBondContact O-OG1 3.21Å
305E95.1Very high94.3Very high116 Ų11663 Ų6354%0.54235%0.349SS..Hα-helixtrans-61.7-44.9176.1-177167.7-169.700111.7E301 T308 S309E301-E305 PolarHBondContact O-N 3.06Å; E305-T308 PolarHBondContact O-N 2.73Å; E305-S309 PolarHBondContact O-N 3.41Å; E305-S309 VanDerWaalsContact O-N 3.13Å; E305-S309 PolarHBondContact O-OG 3.36Å
306W95.1Very high94.1Very high33 Ų3365.4 Ų65.413%0.12536%0.363CS..Hα-helixtrans-60.6-51.2174.2175.7-90.5000112.2E240 R241 V244 A302 V303 T308 S309 N310 D313 I315E240-W306 HydrophobicContact CB-CH2 4Å; E240-W306 HydrophobicContact CB-CZ3 4.36Å; E240-W306 WeakPolarHBondContact O-CZ3 2.85Å; R241-W306 HydrophobicContact CG-CD2 4.12Å; R241-W306 HydrophobicContact CG-CE3 4.15Å; R241-W306 HydrophobicContact CG-CH2 3.66Å; R241-W306 HydrophobicContact CG-CZ2 3.6Å; R241-W306 HydrophobicContact CG-CZ3 3.94Å; V244-W306 HydrophobicContact CG2-CB 4.25Å; A302-W306 PolarHBondContact O-N 2.91Å; V303-W306 PolarHBondContact O-N 2.75Å; W306-T308 PolarHBondContact O-N 3.28Å; W306-S309 CarbonylContact O-C 3.28Å; W306-S309 PolarHBondContact O-N 3.15Å; W306-S309 VanDerWaalsContact O-N 3.1Å; W306-N310 HydrophobicContact CD2-CB 4.43Å; W306-N310 WeakPolarHBondContact CH2-ND2 3.28Å; W306-N310 HydrophobicContact CZ2-CB 3.99Å; W306-N310 WeakPolarHBondContact CZ3-ND2 3.34Å; W306-N310 PolarHBondContact O-N 3.06Å; W306-D313 PolarHBondContact NE1-O 3.44Å; W306-I315 HydrophobicContact CB-CD1 3.88Å; W306-I315 HydrophobicContact CD2-CD1 3.85Å; W306-I315 HydrophobicContact CD2-CG1 4.2Å; W306-I315 HydrophobicContact CG-CD1 3.43Å; W306-I315 VanDerWaalsContact CG-CD1 3.43Å; W306-I315 HydrophobicContact CG-CG1 3.82Å
307N93.7Very high93.9Very high55 Ų5561.6 Ų61.629%0.29435%0.349SS..Hα-helixtrans-64.5-29-178.4-70.9-19.9000112.4V303 N304 N310 P311V303-N307 WeakPolarHBondContact O-CB 3.4Å; V303-N307 VanDerWaalsContact O-CG 3.22Å; V303-N307 PolarHBondContact O-N 3.49Å; V303-N307 PolarHBondContact O-ND2 3.44Å; N304-N307 PolarHBondContact O-N 3.36Å; N307-N310 CarbonylContact O-C 3.45Å; N307-P311 VanDerWaalsContact O-CA 3.27Å; N307-P311 WeakPolarHBondContact O-CA 3.34Å
308T93.8Very high93.5Very high117 Ų11757.7 Ų57.772%0.71833%0.334SS*.Hα-helixtrans-68.4-40.3174.4-580000111N304 E305 W306N304-T308 WeakPolarHBondContact O-CB 3.19Å; N304-T308 PolarHBondContact O-N 2.94Å; N304-T308 PolarHBondContact O-OG1 3.21Å; E305-T308 PolarHBondContact O-N 2.73Å; W306-T308 PolarHBondContact O-N 3.28Å
309S94Very high93.2Very high85 Ų8558.6 Ų58.659%0.59435%0.351SS*.Hα-helixtrans-79.2-29.7178.5-56.20000112.7E305 W306E305-S309 PolarHBondContact O-N 3.41Å; E305-S309 VanDerWaalsContact O-N 3.13Å; E305-S309 PolarHBondContact O-OG 3.36Å; W306-S309 CarbonylContact O-C 3.28Å; W306-S309 PolarHBondContact O-N 3.15Å; W306-S309 VanDerWaalsContact O-N 3.1Å
310N92.5Very high92.9Very high60 Ų6061.8 Ų61.832%0.32137%0.371SS..  trans-132.668.6-174.1-59.7-76.6000111.6W306 N307 G312 D313W306-N310 HydrophobicContact CD2-CB 4.43Å; W306-N310 WeakPolarHBondContact CH2-ND2 3.28Å; W306-N310 HydrophobicContact CZ2-CB 3.99Å; W306-N310 WeakPolarHBondContact CZ3-ND2 3.34Å; W306-N310 PolarHBondContact O-N 3.06Å; N307-N310 CarbonylContact O-C 3.45Å; N310-G312 PolarHBondContact O-N 3.34Å; N310-G312 VanDerWaalsContact O-N 3.07Å; N310-D313 PolarHBondContact O-N 2.99Å
311P89Confident92.8Very high115 Ų11561.2 Ų61.275%0.74737%0.374SS*.THydrogen-bonded Turntrans-66.2-13.7-17224.5-34.6000115.2N307N307-P311 VanDerWaalsContact O-CA 3.27Å; N307-P311 WeakPolarHBondContact O-CA 3.34Å
312G90.5Very high92.7Very high77 Ų7756.2 Ų56.279%0.79435%0.351SS*.THydrogen-bonded Turntrans-99.8-1.9178.900000115N310N310-G312 PolarHBondContact O-N 3.34Å; N310-G312 VanDerWaalsContact O-N 3.07Å
313D91.3Very high92.6Very high64 Ų6456.7 Ų56.734%0.34235%0.353SS..  trans-137.470.3-170.4-174.628000111.7R241 W306 N310R241-D313 IonicContact CZ-OD2 3.4Å; R241-D313 IonicContact NE-OD2 3.98Å; R241-D313 IonicContact NH2-OD2 2.91Å; R241-D313 PolarHBondContact NH2-OD2 3.31Å; W306-D313 PolarHBondContact NE1-O 3.44Å; N310-D313 PolarHBondContact O-N 2.99Å
314P90.7Very high92.6Very high80 Ų8058.1 Ų58.152%0.51937%0.366SS..  trans-66.6137-17828-34.4000111.2T316P314-T316 PolarHBondContact O-N 3.07Å
315I92.8Very high92.5Very high5 Ų555 Ų553%0.02635%0.35CS..  trans-68.6134.3175.7-56.8176.4000109.1R241 V244 F245 W306 P322R241-I315 HydrophobicContact CB-CD1 4.05Å; R241-I315 HydrophobicContact CG-CD1 3.84Å; R241-I315 HydrophobicContact CG-CG1 3.97Å; V244-I315 HydrophobicContact CB-CD1 3.58Å; V244-I315 HydrophobicContact CG1-CD1 3.67Å; V244-I315 HydrophobicContact CG1-CG2 4.28Å; V244-I315 HydrophobicContact CG2-CD1 3.44Å; V244-I315 VanDerWaalsContact CG2-CD1 3.44Å; F245-I315 HydrophobicContact CE1-CG2 4.26Å; F245-I315 HydrophobicContact CZ-CG2 4.18Å; W306-I315 HydrophobicContact CB-CD1 3.88Å; W306-I315 HydrophobicContact CD2-CD1 3.85Å; W306-I315 HydrophobicContact CD2-CG1 4.2Å; W306-I315 HydrophobicContact CG-CD1 3.43Å; W306-I315 VanDerWaalsContact CG-CD1 3.43Å; W306-I315 HydrophobicContact CG-CG1 3.82Å; I315-P322 HydrophobicContact CB-CG 4.43Å; I315-P322 HydrophobicContact CG2-CG 4.07Å; I315-P322 WeakPolarHBondContact O-CD 3.25Å
316T91.6Very high92.5Very high54 Ų5449.5 Ų49.533%0.33133%0.325SS..  trans-117.3139.9174.156.30000110P314 T320P314-T316 PolarHBondContact O-N 3.07Å; T316-T320 CarbonylContact C-O 3.59Å; T316-T320 VanDerWaalsContact CA-O 3.27Å; T316-T320 WeakPolarHBondContact CA-O 3.44Å
317V91.4Very high92.4Very high0 Ų052.3 Ų52.30%034%0.339CS..BIsolated β-bridgetrans-129.1114.8176.5165.10000106.2K202 F245 F248 G319 T320 P322 A325K202-V317 HydrophobicContact CB-CB 4.24Å; K202-V317 HydrophobicContact CB-CG1 3.83Å; K202-V317 HydrophobicContact CB-CG2 4.03Å; K202-V317 HydrophobicContact CG-CG1 4.32Å; K202-V317 HydrophobicContact CG-CG2 4.33Å; F245-V317 HydrophobicContact CE1-CG2 4.16Å; F248-V317 HydrophobicContact CD1-CG1 4.3Å; F248-V317 HydrophobicContact CD2-CG1 4.45Å; F248-V317 HydrophobicContact CE1-CG1 3.65Å; F248-V317 HydrophobicContact CE2-CG1 3.82Å; F248-V317 HydrophobicContact CZ-CG1 3.4Å; F248-V317 VanDerWaalsContact CZ-CG1 3.4Å; V317-G319 PolarHBondContact O-N 2.68Å; V317-G319 VanDerWaalsContact O-N 3.11Å; V317-T320 PolarHBondContact N-O 2.92Å; V317-T320 PolarHBondContact O-N 3.35Å; V317-T320 VanDerWaalsContact O-N 3.12Å; V317-T320 PolarHBondContact O-OG1 2.99Å; V317-P322 HydrophobicContact CB-CG 4.35Å; V317-P322 HydrophobicContact CG2-CB 4.07Å; V317-P322 HydrophobicContact CG2-CG 3.72Å; V317-A325 HydrophobicContact CG1-CB 4.05Å
318Y89.5Confident92.3Very high62 Ų6252 Ų5224%0.24334%0.344CS..THydrogen-bonded Turntrans52.531.2-173.7-44.5-59.6000114K202 F248 E252 F410K202-Y318 HydrophobicContact CB-CD1 4.43Å; K202-Y318 HydrophobicContact CB-CE1 3.84Å; K202-Y318 HydrophobicContact CB-CE2 4.25Å; K202-Y318 HydrophobicContact CD-CE1 4.32Å; K202-Y318 HydrophobicContact CD-CE2 4.33Å; K202-Y318 WeakPolarHBondContact CD-OH 3.34Å; K202-Y318 WeakPolarHBondContact O-CD1 3.39Å; K202-Y318 PolarHBondContact O-N 3.38Å; F248-Y318 HydrophobicContact CE1-CE2 4.04Å; F248-Y318 HydrophobicContact CZ-CE2 4.21Å; E252-Y318 PolarHBondContact OE1-OH 3.38Å; Y318-F410 HydrophobicContact CD1-CE1 4.06Å; Y318-F410 AromaticContact CD1-CZ 3.71Å; Y318-F410 HydrophobicContact CD1-CZ 3.71Å; Y318-F410 HydrophobicContact CD2-CE1 4.47Å; Y318-F410 AromaticContact CD2-CE2 3.77Å; Y318-F410 HydrophobicContact CD2-CE2 3.77Å; Y318-F410 AromaticContact CD2-CZ 3.49Å; Y318-F410 HydrophobicContact CD2-CZ 3.49Å; Y318-F410 VanDerWaalsContact CD2-CZ 3.49Å; Y318-F410 HydrophobicContact CE1-CD1 4.28Å; Y318-F410 AromaticContact CE1-CE1 3.22Å; Y318-F410 HydrophobicContact CE1-CE1 3.22Å; Y318-F410 HydrophobicContact CE1-CE2 4.22Å; Y318-F410 AromaticContact CE1-CZ 3.22Å; Y318-F410 HydrophobicContact CE1-CZ 3.22Å; Y318-F410 HydrophobicContact CE2-CD2 4.07Å; Y318-F410 AromaticContact CE2-CE1 3.73Å; Y318-F410 HydrophobicContact CE2-CE1 3.73Å; Y318-F410 AromaticContact CE2-CE2 3.12Å; Y318-F410 HydrophobicContact CE2-CE2 3.12Å; Y318-F410 AromaticContact CE2-CZ 2.98Å; Y318-F410 HydrophobicContact CE2-CZ 2.98Å; Y318-F410 AromaticContact CG-CZ 3.84Å; Y318-F410 HydrophobicContact CG-CZ 3.84Å; Y318-F410 AromaticContact CZ-CD1 3.8Å; Y318-F410 AromaticContact CZ-CE1 3.01Å; Y318-F410 AromaticContact CZ-CE2 3.39Å; Y318-F410 AromaticContact CZ-CZ 2.81Å; Y318-F410 WeakPolarHBondContact OH-CD1 3.46Å; Y318-F410 WeakPolarHBondContact OH-CE1 3.49Å; Y318-F410 WeakPolarHBondContact OH-CE2 3.47Å; Y318-F410 WeakPolarHBondContact OH-CZ 3.38Å
319G89.5Confident92.2Very high46 Ų4647.6 Ų47.647%0.47432%0.317SS..THydrogen-bonded Turntrans89.3-0.3176.700000115V317V317-G319 PolarHBondContact O-N 2.68Å; V317-G319 VanDerWaalsContact O-N 3.11Å
320T91.7Very high92.1Very high67 Ų6745.8 Ų45.841%0.41130%0.299SS..BIsolated β-bridgetrans-124.7173.8175.8620000110.8T316 V317T316-T320 CarbonylContact C-O 3.59Å; T316-T320 VanDerWaalsContact CA-O 3.27Å; T316-T320 WeakPolarHBondContact CA-O 3.44Å; V317-T320 PolarHBondContact N-O 2.92Å; V317-T320 PolarHBondContact O-N 3.35Å; V317-T320 VanDerWaalsContact O-N 3.12Å; V317-T320 PolarHBondContact O-OG1 2.99Å
321S93.8Very high92.1Very high56 Ų5645.7 Ų45.739%0.39231%0.307SS..  trans-65.915017375.30000110.2V323 A324 A325S321-V323 PolarHBondContact O-N 3.13Å; S321-V323 VanDerWaalsContact O-N 3.1Å; S321-A324 PolarHBondContact O-N 2.95Å; S321-A324 VanDerWaalsContact OG-CB 3.29Å; S321-A324 WeakPolarHBondContact OG-CB 3.38Å; S321-A324 PolarHBondContact OG-N 3Å; S321-A325 PolarHBondContact O-N 3.45Å
322P94.2Very high92.2Very high0 Ų044 Ų440%029%0.292CS..Hα-helixtrans-54-36-179.7-26.833.6000113.3V244 F248 V299 V303 I315 V317 A325 I326V244-P322 HydrophobicContact CG1-CG 4.16Å; F248-P322 HydrophobicContact CD2-CB 3.91Å; F248-P322 HydrophobicContact CE2-CB 4.3Å; V299-P322 HydrophobicContact CG1-CB 3.91Å; V303-P322 HydrophobicContact CG2-CB 3.89Å; V303-P322 HydrophobicContact CG2-CG 3.64Å; I315-P322 HydrophobicContact CB-CG 4.43Å; I315-P322 HydrophobicContact CG2-CG 4.07Å; I315-P322 WeakPolarHBondContact O-CD 3.25Å; V317-P322 HydrophobicContact CB-CG 4.35Å; V317-P322 HydrophobicContact CG2-CB 4.07Å; V317-P322 HydrophobicContact CG2-CG 3.72Å; P322-A325 PolarHBondContact O-N 3.13Å; P322-I326 WeakPolarHBondContact O-CG1 3.5Å; P322-I326 PolarHBondContact O-N 3.09Å; P322-I326 VanDerWaalsContact O-N 3.11Å
323V94.9Very high92.2Very high15 Ų1542 Ų429%0.09126%0.261CS..Hα-helixtrans-70.4-44.3178.4-179.90000111.1Q300 S321 A325 I326 E327Q300-V323 HydrophobicContact CB-CG2 4.23Å; Q300-V323 VanDerWaalsContact OE1-CG1 3.24Å; S321-V323 PolarHBondContact O-N 3.13Å; S321-V323 VanDerWaalsContact O-N 3.1Å; V323-A325 VanDerWaalsContact C-N 3.29Å; V323-A325 PolarHBondContact O-N 2.91Å; V323-I326 WeakPolarHBondContact O-CB 3.45Å; V323-I326 PolarHBondContact O-N 3.41Å; V323-E327 WeakPolarHBondContact O-CG 3.23Å; V323-E327 PolarHBondContact O-N 3.14Å
324A94.2Very high92.2Very high37 Ų3741.7 Ų41.731%0.30627%0.266SS..Hα-helixtrans-65.1-34.5176.400000111.7S321 E327 A328S321-A324 PolarHBondContact O-N 2.95Å; S321-A324 VanDerWaalsContact OG-CB 3.29Å; S321-A324 WeakPolarHBondContact OG-CB 3.38Å; S321-A324 PolarHBondContact OG-N 3Å; A324-E327 PolarHBondContact O-N 2.85Å; A324-A328 WeakPolarHBondContact O-CB 3.48Å; A324-A328 PolarHBondContact O-N 2.74Å
325A92.9Very high92.1Very high10 Ų1044 Ų448%0.08327%0.27CS..Hα-helixtrans-62.5-45.1173.300000111.7F248 V317 S321 P322 V323 A328 V329F248-A325 HydrophobicContact CE2-CB 4.29Å; F248-A325 HydrophobicContact CZ-CB 4.36Å; V317-A325 HydrophobicContact CG1-CB 4.05Å; S321-A325 PolarHBondContact O-N 3.45Å; P322-A325 PolarHBondContact O-N 3.13Å; V323-A325 VanDerWaalsContact C-N 3.29Å; V323-A325 PolarHBondContact O-N 2.91Å; A325-A328 PolarHBondContact O-N 2.82Å; A325-V329 WeakPolarHBondContact O-CG2 3.39Å; A325-V329 PolarHBondContact O-N 3.5Å; A325-V329 VanDerWaalsContact O-N 3.1Å
326I94.5Very high92Very high1 Ų148 Ų481%0.00529%0.288CS..Hα-helixtrans-58.1-49173.6-71.5172.2000110.9F248 W251 R296 V299 P322 V323 A328 V329 E330F248-I326 HydrophobicContact CD2-CD1 4.32Å; F248-I326 HydrophobicContact CD2-CG1 4.39Å; F248-I326 HydrophobicContact CE2-CD1 4.28Å; F248-I326 HydrophobicContact CE2-CG1 3.86Å; W251-I326 HydrophobicContact CD2-CD1 3.82Å; W251-I326 HydrophobicContact CD2-CG1 3.66Å; W251-I326 HydrophobicContact CD2-CG2 4.46Å; W251-I326 HydrophobicContact CE3-CD1 4.22Å; W251-I326 HydrophobicContact CE3-CG1 3.73Å; W251-I326 HydrophobicContact CG-CD1 3.93Å; W251-I326 HydrophobicContact CG-CG1 4.32Å; W251-I326 HydrophobicContact CH2-CB 4.23Å; W251-I326 HydrophobicContact CH2-CG1 3.93Å; W251-I326 HydrophobicContact CH2-CG2 4.26Å; W251-I326 HydrophobicContact CZ2-CB 3.99Å; W251-I326 HydrophobicContact CZ2-CG1 3.85Å; W251-I326 HydrophobicContact CZ2-CG2 3.53Å; W251-I326 HydrophobicContact CZ3-CG1 3.86Å; R296-I326 HydrophobicContact CG-CG2 4.09Å; V299-I326 HydrophobicContact CB-CD1 4.09Å; V299-I326 HydrophobicContact CG1-CD1 3.87Å; V299-I326 HydrophobicContact CG2-CD1 4.15Å; P322-I326 WeakPolarHBondContact O-CG1 3.5Å; P322-I326 PolarHBondContact O-N 3.09Å; P322-I326 VanDerWaalsContact O-N 3.11Å; V323-I326 WeakPolarHBondContact O-CB 3.45Å; V323-I326 PolarHBondContact O-N 3.41Å; I326-A328 VanDerWaalsContact C-N 3.32Å; I326-A328 PolarHBondContact O-N 3.44Å; I326-V329 PolarHBondContact O-N 2.8Å; I326-E330 HydrophobicContact CG2-CG 4.39Å; I326-E330 WeakPolarHBondContact O-CG 3.23Å; I326-E330 PolarHBondContact O-N 3.47Å
327E93.3Very high91.9Very high92 Ų9250 Ų5043%0.4329%0.29SS..Hα-helixtrans-60.2-41.3-180-75.2175.2178.600112.4R296 V323 A324 E330 A331R296-E327 IonicContact CZ-OE1 3.41Å; R296-E327 IonicContact NH2-OE1 2.58Å; R296-E327 PolarHBondContact NH2-OE1 2.92Å; V323-E327 WeakPolarHBondContact O-CG 3.23Å; V323-E327 PolarHBondContact O-N 3.14Å; A324-E327 PolarHBondContact O-N 2.85Å; E327-E330 PolarHBondContact O-N 3.38Å; E327-A331 WeakPolarHBondContact O-CB 3.4Å; E327-A331 PolarHBondContact O-N 3.48Å
328A92.2Very high91.8Very high49 Ų4954.1 Ų54.141%0.40531%0.309SS..Hα-helixtrans-62.5-43.3176.100000111.9A324 A325 I326 A331 N332A324-A328 WeakPolarHBondContact O-CB 3.48Å; A324-A328 PolarHBondContact O-N 2.74Å; A325-A328 PolarHBondContact O-N 2.82Å; I326-A328 VanDerWaalsContact C-N 3.32Å; I326-A328 PolarHBondContact O-N 3.44Å; A328-A331 PolarHBondContact O-N 3.48Å; A328-N332 WeakPolarHBondContact O-CB 2.98Å; A328-N332 PolarHBondContact O-N 3.32Å; A328-N332 PolarHBondContact O-ND2 3.05Å
329V91.4Very high91.8Very high24 Ų2456.7 Ų56.715%0.14532%0.322CS..Hα-helixtrans-63.3-46.6176.3172.50000111.2W251 W255 A325 I326 N332 Y333W251-V329 HydrophobicContact CH2-CB 3.9Å; W251-V329 HydrophobicContact CH2-CG1 3.87Å; W251-V329 HydrophobicContact CH2-CG2 4.29Å; W255-V329 HydrophobicContact CD2-CG1 4.45Å; W255-V329 HydrophobicContact CZ2-CG1 3.92Å; A325-V329 WeakPolarHBondContact O-CG2 3.39Å; A325-V329 PolarHBondContact O-N 3.5Å; A325-V329 VanDerWaalsContact O-N 3.1Å; I326-V329 PolarHBondContact O-N 2.8Å; V329-N332 PolarHBondContact O-N 2.94Å; V329-Y333 WeakPolarHBondContact O-CB 3.46Å; V329-Y333 PolarHBondContact O-N 3.39Å
330E91.7Very high91.8Very high47 Ų4757.6 Ų57.622%0.2231%0.313CS..Hα-helixtrans-64-40.7179.1-71.7-179.616700112.2W251 W255 R296 I326 E327 Y333 A334W251-E330 HydrophobicContact CZ2-CG 4.4Å; W255-E330 HydrophobicContact CH2-CB 4.46Å; W255-E330 HydrophobicContact CH2-CG 3.87Å; W255-E330 HydrophobicContact CZ3-CG 3.78Å; R296-E330 IonicContact CZ-OE2 2.6Å; R296-E330 IonicContact NH1-OE2 2.95Å; R296-E330 PolarHBondContact NH1-OE2 2.91Å; I326-E330 HydrophobicContact CG2-CG 4.39Å; I326-E330 WeakPolarHBondContact O-CG 3.23Å; I326-E330 PolarHBondContact O-N 3.47Å; E327-E330 PolarHBondContact O-N 3.38Å; E330-Y333 PolarHBondContact O-N 3.12Å; E330-A334 WeakPolarHBondContact O-CB 3.42Å; E330-A334 PolarHBondContact O-N 3.34Å
331A92Very high91.7Very high58 Ų5859.1 Ų59.148%0.47931%0.312SS..Hα-helixtrans-66.5-44177.200000112.1E327 A328 A334 H335E327-A331 WeakPolarHBondContact O-CB 3.4Å; E327-A331 PolarHBondContact O-N 3.48Å; A328-A331 PolarHBondContact O-N 3.48Å; A331-A334 PolarHBondContact O-N 3.17Å; A331-H335 WeakPolarHBondContact O-CB 3.42Å; A331-H335 PolarHBondContact O-N 3.18Å
332N91Very high91.7Very high80 Ų8060 Ų6043%0.42832%0.315SS..Hα-helixtrans-60.9-45.6175.4-74.7-17.6000111.2A328 V329 A334 H335 E336A328-N332 WeakPolarHBondContact O-CB 2.98Å; A328-N332 PolarHBondContact O-N 3.32Å; A328-N332 PolarHBondContact O-ND2 3.05Å; V329-N332 PolarHBondContact O-N 2.94Å; N332-A334 PolarHBondContact O-N 3.36Å; N332-H335 WeakPolarHBondContact O-CB 3.11Å; N332-H335 PolarHBondContact O-N 2.85Å; N332-E336 WeakPolarHBondContact O-CG 3.33Å; N332-E336 PolarHBondContact O-N 3.49Å
333Y91.2Very high91.6Very high36 Ų3665 Ų6514%0.14134%0.338CS..Hα-helixtrans-59.9-46.3175169.8-90.7000111.8W255 L259 E262 V329 E330 H335 E336 R337W255-Y333 AromaticContact CH2-CD1 4Å; W255-Y333 HydrophobicContact CH2-CD1 4Å; W255-Y333 AromaticContact CH2-CG 3.95Å; W255-Y333 HydrophobicContact CH2-CG 3.95Å; W255-Y333 HydrophobicContact CZ2-CD1 4.28Å; W255-Y333 HydrophobicContact CZ2-CD2 4.13Å; W255-Y333 AromaticContact CZ2-CG 3.75Å; W255-Y333 HydrophobicContact CZ2-CG 3.75Å; L259-Y333 HydrophobicContact CD2-CD2 3.86Å; L259-Y333 HydrophobicContact CD2-CE2 3.84Å; E262-Y333 PolarHBondContact OE1-OH 2.98Å; E262-Y333 WeakPolarHBondContact OE2-CE2 3.37Å; E262-Y333 VanDerWaalsContact OE2-CZ 3.25Å; E262-Y333 PolarHBondContact OE2-OH 3.46Å; V329-Y333 WeakPolarHBondContact O-CB 3.46Å; V329-Y333 PolarHBondContact O-N 3.39Å; E330-Y333 PolarHBondContact O-N 3.12Å; Y333-H335 VanDerWaalsContact C-N 3.29Å; Y333-H335 PolarHBondContact O-N 2.88Å; Y333-E336 PolarHBondContact O-N 3.2Å; Y333-R337 HydrophobicContact CD1-CG 4.15Å; Y333-R337 HydrophobicContact CD2-CG 4.33Å; Y333-R337 HydrophobicContact CE1-CG 3.59Å; Y333-R337 HydrophobicContact CE2-CG 3.82Å; Y333-R337 HydrophobicContact CG-CG 4.46Å; Y333-R337 VanDerWaalsContact O-CG 3.26Å; Y333-R337 WeakPolarHBondContact O-CG 3.18Å; Y333-R337 PolarHBondContact O-N 3.34Å; Y333-R337 WeakPolarHBondContact OH-CD 3.38Å; Y333-R337 WeakPolarHBondContact OH-CG 3.19Å
334A90.7Very high91.3Very high56 Ų5671.9 Ų71.946%0.46336%0.362SS..Hα-helixtrans-60.2-40.2177.200000112E330 A331 N332 R337 E338E330-A334 WeakPolarHBondContact O-CB 3.42Å; E330-A334 PolarHBondContact O-N 3.34Å; A331-A334 PolarHBondContact O-N 3.17Å; N332-A334 PolarHBondContact O-N 3.36Å; A334-R337 PolarHBondContact O-N 3.49Å; A334-E338 WeakPolarHBondContact O-CB 3.49Å; A334-E338 PolarHBondContact O-N 2.79Å
335H89.2Confident91.2Very high129 Ų12976.1 Ų76.160%0.59737%0.374SS*.Hα-helixtrans-63.2-46.6175.3-177.774.6000112.3A331 N332 Y333 R337 E338 K339A331-H335 WeakPolarHBondContact O-CB 3.42Å; A331-H335 PolarHBondContact O-N 3.18Å; N332-H335 WeakPolarHBondContact O-CB 3.11Å; N332-H335 PolarHBondContact O-N 2.85Å; Y333-H335 VanDerWaalsContact C-N 3.29Å; Y333-H335 PolarHBondContact O-N 2.88Å; H335-R337 PolarHBondContact O-N 3.27Å; H335-E338 PolarHBondContact O-N 3.36Å; H335-K339 WeakPolarHBondContact O-CB 3.29Å; H335-K339 PolarHBondContact O-N 3.01Å
336E90Very high91.2Very high88 Ų8881 Ų8141%0.41140%0.398SS..Hα-helixtrans-61.7-41.7176.4-74-177.217600112.3N332 Y333 E338 K339 E340N332-E336 WeakPolarHBondContact O-CG 3.33Å; N332-E336 PolarHBondContact O-N 3.49Å; Y333-E336 PolarHBondContact O-N 3.2Å; E336-E338 VanDerWaalsContact C-N 3.34Å; E336-E338 PolarHBondContact O-N 2.82Å; E336-K339 PolarHBondContact O-N 3.23Å; E336-E340 PolarHBondContact O-N 2.95Å
337R89.9Confident91.1Very high98 Ų9883.8 Ų83.837%0.3742%0.421SS..Hα-helixtrans-62.9-40.3175.8-69.7-59-58.5165.39.3112.3Y333 A334 H335 E340 R341Y333-R337 HydrophobicContact CD1-CG 4.15Å; Y333-R337 HydrophobicContact CD2-CG 4.33Å; Y333-R337 HydrophobicContact CE1-CG 3.59Å; Y333-R337 HydrophobicContact CE2-CG 3.82Å; Y333-R337 HydrophobicContact CG-CG 4.46Å; Y333-R337 VanDerWaalsContact O-CG 3.26Å; Y333-R337 WeakPolarHBondContact O-CG 3.18Å; Y333-R337 PolarHBondContact O-N 3.34Å; Y333-R337 WeakPolarHBondContact OH-CD 3.38Å; Y333-R337 WeakPolarHBondContact OH-CG 3.19Å; A334-R337 PolarHBondContact O-N 3.49Å; H335-R337 PolarHBondContact O-N 3.27Å; R337-E340 IonicContact CZ-OE2 3.46Å; R337-E340 IonicContact NH1-OE2 2.71Å; R337-E340 PolarHBondContact NH1-OE2 2.87Å; R337-R341 WeakPolarHBondContact O-CB 3.45Å; R337-R341 PolarHBondContact O-N 3.2Å
338E89.9Confident90.9Very high86 Ų8686.2 Ų86.240%0.40243%0.427SS..Hα-helixtrans-67.9-41.6177.2-179.957.2-16400111.2A334 H335 E336 R341 V342A334-E338 WeakPolarHBondContact O-CB 3.49Å; A334-E338 PolarHBondContact O-N 2.79Å; H335-E338 PolarHBondContact O-N 3.36Å; E336-E338 VanDerWaalsContact C-N 3.34Å; E336-E338 PolarHBondContact O-N 2.82Å; E338-R341 WeakPolarHBondContact O-CB 3.14Å; E338-R341 PolarHBondContact O-N 3.06Å; E338-R341 IonicContact OE1-CZ 3.44Å; E338-R341 VanDerWaalsContact OE1-CZ 3.27Å; E338-R341 IonicContact OE1-NE 3.46Å; E338-R341 PolarHBondContact OE1-NE 3.02Å; E338-R341 IonicContact OE1-NH2 2.79Å; E338-R341 PolarHBondContact OE1-NH2 3.48Å; E338-R341 IonicContact OE2-CZ 3.49Å; E338-R341 IonicContact OE2-NE 2.76Å; E338-R341 PolarHBondContact OE2-NE 3.37Å; E338-R341 IonicContact OE2-NH2 2.75Å; E338-R341 PolarHBondContact OE2-NH2 3.4Å; E338-V342 WeakPolarHBondContact O-CG2 3.25Å; E338-V342 PolarHBondContact O-N 3.38Å
339K89Confident90.8Very high116 Ų11688.9 Ų88.950%0.50443%0.43SS..Hα-helixtrans-59.4-50.8173.5-176.2179172.8-177.60111.8H335 E336 R341 V342 E343H335-K339 WeakPolarHBondContact O-CB 3.29Å; H335-K339 PolarHBondContact O-N 3.01Å; E336-K339 PolarHBondContact O-N 3.23Å; K339-R341 PolarHBondContact O-N 3.34Å; K339-V342 PolarHBondContact O-N 3.22Å; K339-V342 VanDerWaalsContact O-N 3.11Å; K339-E343 WeakPolarHBondContact CE-OE1 3.37Å; K339-E343 HydrophobicContact CG-CG 4.46Å; K339-E343 WeakPolarHBondContact O-CB 3.38Å; K339-E343 WeakPolarHBondContact O-CG 3.38Å; K339-E343 PolarHBondContact O-N 3.14Å
340E90.1Very high90.8Very high64 Ų6490.2 Ų90.230%0.29944%0.444SS..Hα-helixtrans-57.5-39175.8-176.9-178.7-166.600111.2K266 E336 R337 R344K266-E340 VanDerWaalsContact NZ-CD 3.3Å; K266-E340 IonicContact NZ-OE1 2.92Å; K266-E340 PolarHBondContact NZ-OE1 3.17Å; K266-E340 IonicContact NZ-OE2 2.77Å; K266-E340 PolarHBondContact NZ-OE2 3.31Å; K266-E340 VanDerWaalsContact NZ-OE2 3.1Å; E336-E340 PolarHBondContact O-N 2.95Å; R337-E340 IonicContact CZ-OE2 3.46Å; R337-E340 IonicContact NH1-OE2 2.71Å; R337-E340 PolarHBondContact NH1-OE2 2.87Å; E340-R344 VanDerWaalsContact O-CB 3.24Å; E340-R344 WeakPolarHBondContact O-CB 3.3Å; E340-R344 PolarHBondContact O-N 3.45Å
341R90.3Very high90.5Very high100 Ų10093.4 Ų93.438%0.37746%0.459SS..Hα-helixtrans-65.4-42.5177.1-167.7-164.764.464.2-19.7112R337 E338 K339 K345R337-R341 WeakPolarHBondContact O-CB 3.45Å; R337-R341 PolarHBondContact O-N 3.2Å; E338-R341 WeakPolarHBondContact O-CB 3.14Å; E338-R341 PolarHBondContact O-N 3.06Å; E338-R341 IonicContact OE1-CZ 3.44Å; E338-R341 VanDerWaalsContact OE1-CZ 3.27Å; E338-R341 IonicContact OE1-NE 3.46Å; E338-R341 PolarHBondContact OE1-NE 3.02Å; E338-R341 IonicContact OE1-NH2 2.79Å; E338-R341 PolarHBondContact OE1-NH2 3.48Å; E338-R341 IonicContact OE2-CZ 3.49Å; E338-R341 IonicContact OE2-NE 2.76Å; E338-R341 PolarHBondContact OE2-NE 3.37Å; E338-R341 IonicContact OE2-NH2 2.75Å; E338-R341 PolarHBondContact OE2-NH2 3.4Å; K339-R341 PolarHBondContact O-N 3.34Å; R341-K345 VanDerWaalsContact NH1-CD 3.28Å; R341-K345 WeakPolarHBondContact O-CG 3.4Å; R341-K345 PolarHBondContact O-N 2.81Å; R341-K345 VanDerWaalsContact O-N 3.15Å
342V92.5Very high90.3Very high74 Ų7496 Ų9645%0.44846%0.464SS..Hα-helixtrans-67.9-47.7178.1171.30000110.4E338 K339 R344 K345 L346E338-V342 WeakPolarHBondContact O-CG2 3.25Å; E338-V342 PolarHBondContact O-N 3.38Å; K339-V342 PolarHBondContact O-N 3.22Å; K339-V342 VanDerWaalsContact O-N 3.11Å; V342-R344 VanDerWaalsContact C-N 3.31Å; V342-R344 PolarHBondContact O-N 3.09Å; V342-K345 WeakPolarHBondContact O-CB 3.08Å; V342-K345 PolarHBondContact O-N 3.36Å; V342-K345 VanDerWaalsContact O-N 3.08Å; V342-L346 PolarHBondContact O-N 2.98Å
343E92.1Very high90.2Very high105 Ų10597.1 Ų97.149%0.49147%0.467SS..Hα-helixtrans-58.3-42.8176.5-72.7173.6176.800111.6K339 K345 L346 A347K339-E343 WeakPolarHBondContact CE-OE1 3.37Å; K339-E343 HydrophobicContact CG-CG 4.46Å; K339-E343 WeakPolarHBondContact O-CB 3.38Å; K339-E343 WeakPolarHBondContact O-CG 3.38Å; K339-E343 PolarHBondContact O-N 3.14Å; E343-K345 VanDerWaalsContact C-N 3.32Å; E343-K345 PolarHBondContact O-N 2.83Å; E343-L346 PolarHBondContact O-N 2.9Å; E343-A347 WeakPolarHBondContact O-CB 3.26Å; E343-A347 PolarHBondContact O-N 3.09Å
344R89.9Confident90Very high160 Ų16098.3 Ų98.360%0.60448%0.481SS*.Hα-helixtrans-65.8-33.4176.6-164.3176.5-167.6176.44.1112.8E340 V342 R348E340-R344 VanDerWaalsContact O-CB 3.24Å; E340-R344 WeakPolarHBondContact O-CB 3.3Å; E340-R344 PolarHBondContact O-N 3.45Å; V342-R344 VanDerWaalsContact C-N 3.31Å; V342-R344 PolarHBondContact O-N 3.09Å; R344-R348 WeakPolarHBondContact O-CB 3.49Å; R344-R348 VanDerWaalsContact O-CG 3.25Å; R344-R348 WeakPolarHBondContact O-CG 3.35Å; R344-R348 PolarHBondContact O-N 3.33Å
345K91.1Very high89.8Confident125 Ų12599 Ų9954%0.54347%0.474SS..Hα-helixtrans-70.3-44173.1-77.5-173.7-179.4176.20111R341 V342 E343 R348 Q349R341-K345 VanDerWaalsContact NH1-CD 3.28Å; R341-K345 WeakPolarHBondContact O-CG 3.4Å; R341-K345 PolarHBondContact O-N 2.81Å; R341-K345 VanDerWaalsContact O-N 3.15Å; V342-K345 WeakPolarHBondContact O-CB 3.08Å; V342-K345 PolarHBondContact O-N 3.36Å; V342-K345 VanDerWaalsContact O-N 3.08Å; E343-K345 VanDerWaalsContact C-N 3.32Å; E343-K345 PolarHBondContact O-N 2.83Å; K345-R348 PolarHBondContact O-N 2.86Å; K345-Q349 WeakPolarHBondContact O-CB 3.49Å; K345-Q349 PolarHBondContact O-N 3.46Å
346L93.1Very high89.8Confident112 Ų11297.1 Ų97.159%0.58648%0.481SS*.Hα-helixtrans-63.1-44.2178.1-172.668.9000111.5V342 E343 R348 Q349 A350V342-L346 PolarHBondContact O-N 2.98Å; E343-L346 PolarHBondContact O-N 2.9Å; L346-R348 VanDerWaalsContact C-N 3.34Å; L346-R348 PolarHBondContact O-N 2.91Å; L346-Q349 PolarHBondContact O-N 3.44Å; L346-A350 WeakPolarHBondContact O-CB 3.26Å; L346-A350 PolarHBondContact O-N 3.04Å
347A91.8Very high89.6Confident61 Ų6197.8 Ų97.850%0.50449%0.491SS..Hα-helixtrans-62.1-40.317600000112.2E343 Q351E343-A347 WeakPolarHBondContact O-CB 3.26Å; E343-A347 PolarHBondContact O-N 3.09Å; A347-Q351 WeakPolarHBondContact O-CB 3.4Å; A347-Q351 PolarHBondContact O-N 3.29Å
348R89.5Confident89.1Confident143 Ų143100.9 Ų100.954%0.5451%0.507SS..Hα-helixtrans-65-41.2173.2-76174.2-178.9-173.8-0.3112R344 K345 L346 Q351 L352R344-R348 WeakPolarHBondContact O-CB 3.49Å; R344-R348 VanDerWaalsContact O-CG 3.25Å; R344-R348 WeakPolarHBondContact O-CG 3.35Å; R344-R348 PolarHBondContact O-N 3.33Å; K345-R348 PolarHBondContact O-N 2.86Å; L346-R348 VanDerWaalsContact C-N 3.34Å; L346-R348 PolarHBondContact O-N 2.91Å; R348-Q351 PolarHBondContact O-N 3.44Å; R348-L352 VanDerWaalsContact O-CG 3.29Å; R348-L352 WeakPolarHBondContact O-CG 3.48Å; R348-L352 PolarHBondContact O-N 3.45Å
349Q91.2Very high88.4Confident104 Ų10498.6 Ų98.649%0.48651%0.507SS..Hα-helixtrans-64.5-46.5176.8-179176.9-10.700111.2K345 L346 Q351 L352 E353K345-Q349 WeakPolarHBondContact O-CB 3.49Å; K345-Q349 PolarHBondContact O-N 3.46Å; L346-Q349 PolarHBondContact O-N 3.44Å; Q349-Q351 VanDerWaalsContact C-N 3.31Å; Q349-Q351 PolarHBondContact O-N 3.2Å; Q349-L352 PolarHBondContact O-N 2.86Å; Q349-L352 VanDerWaalsContact O-N 3.16Å; Q349-E353 HydrophobicContact CG-CG 4.46Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.25Å; Q349-E353 PolarHBondContact NE2-OE1 2.87Å; Q349-E353 WeakPolarHBondContact O-CG 3.42Å; Q349-E353 PolarHBondContact O-N 3.3Å
350A90.3Very high87.4Confident52 Ų5296.3 Ų96.343%0.4351%0.505SS..Hα-helixtrans-61.8-38.1176.200000112.3L346 E353 S354L346-A350 WeakPolarHBondContact O-CB 3.26Å; L346-A350 PolarHBondContact O-N 3.04Å; A350-E353 PolarHBondContact O-N 3.5Å; A350-S354 WeakPolarHBondContact O-CB 3.48Å; A350-S354 PolarHBondContact O-N 3.31Å
351Q86Confident86Confident115 Ų115101.8 Ų101.854%0.53753%0.531SS..Hα-helixtrans-62.2-46.9173.1-175.7-177.8-13.200111.1A347 R348 Q349 E353 S354 E355A347-Q351 WeakPolarHBondContact O-CB 3.4Å; A347-Q351 PolarHBondContact O-N 3.29Å; R348-Q351 PolarHBondContact O-N 3.44Å; Q349-Q351 VanDerWaalsContact C-N 3.31Å; Q349-Q351 PolarHBondContact O-N 3.2Å; Q351-E353 PolarHBondContact O-N 3.45Å; Q351-S354 WeakPolarHBondContact O-CB 3.35Å; Q351-S354 PolarHBondContact O-N 3.31Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.43Å; Q351-E355 PolarHBondContact NE2-OE1 2.96Å; Q351-E355 WeakPolarHBondContact O-CB 3.49Å; Q351-E355 VanDerWaalsContact O-CG 3.32Å; Q351-E355 WeakPolarHBondContact O-CG 3.41Å; Q351-E355 PolarHBondContact O-N 2.92Å
352L87.8Confident84.4Confident111 Ų111103.3 Ų103.358%0.58155%0.547SS*.Hα-helixtrans-63.3-40177-71.7168.7000112.5R348 Q349 E355 A356R348-L352 VanDerWaalsContact O-CG 3.29Å; R348-L352 WeakPolarHBondContact O-CG 3.48Å; R348-L352 PolarHBondContact O-N 3.45Å; Q349-L352 PolarHBondContact O-N 2.86Å; Q349-L352 VanDerWaalsContact O-N 3.16Å; L352-E355 PolarHBondContact O-N 3.44Å; L352-A356 VanDerWaalsContact O-CB 3.29Å; L352-A356 WeakPolarHBondContact O-CB 3.29Å; L352-A356 PolarHBondContact O-N 2.98Å
353E88.7Confident82.3Confident105 Ų105104.2 Ų104.249%0.49156%0.562SS.*Hα-helixtrans-66-38.4176.1-74171.9-171.400111.7Q349 A350 Q351 A356 T357Q349-E353 HydrophobicContact CG-CG 4.46Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.25Å; Q349-E353 PolarHBondContact NE2-OE1 2.87Å; Q349-E353 WeakPolarHBondContact O-CG 3.42Å; Q349-E353 PolarHBondContact O-N 3.3Å; A350-E353 PolarHBondContact O-N 3.5Å; Q351-E353 PolarHBondContact O-N 3.45Å; E353-A356 PolarHBondContact O-N 3.4Å; E353-T357 WeakPolarHBondContact O-CB 3.35Å; E353-T357 PolarHBondContact O-N 2.9Å; E353-T357 PolarHBondContact O-OG1 3.34Å
354S86.1Confident80.2Confident61 Ų61106.8 Ų106.843%0.42758%0.578SS.*Hα-helixtrans-65.4-47173.2-1760000111.7A350 Q351 A356 T357 F358A350-S354 WeakPolarHBondContact O-CB 3.48Å; A350-S354 PolarHBondContact O-N 3.31Å; Q351-S354 WeakPolarHBondContact O-CB 3.35Å; Q351-S354 PolarHBondContact O-N 3.31Å; S354-A356 VanDerWaalsContact C-N 3.27Å; S354-A356 PolarHBondContact O-N 3.37Å; S354-T357 PolarHBondContact O-N 3.22Å; S354-F358 WeakPolarHBondContact O-CD2 3.3Å; S354-F358 PolarHBondContact O-N 3.32Å
355E88.4Confident78.1Confident71 Ų71104.7 Ų104.733%0.33259%0.586SS.*Hα-helixtrans-61.5-35.1175.5-73171.8-167.400111.8Q351 L352 G359Q351-E355 WeakPolarHBondContact CG-OE1 3.43Å; Q351-E355 PolarHBondContact NE2-OE1 2.96Å; Q351-E355 WeakPolarHBondContact O-CB 3.49Å; Q351-E355 VanDerWaalsContact O-CG 3.32Å; Q351-E355 WeakPolarHBondContact O-CG 3.41Å; Q351-E355 PolarHBondContact O-N 2.92Å; L352-E355 PolarHBondContact O-N 3.44Å; E355-G359 CarbonylContact O-C 3.59Å; E355-G359 VanDerWaalsContact O-C 3.28Å; E355-G359 WeakPolarHBondContact O-CA 3.4Å; E355-G359 PolarHBondContact O-N 2.89Å
356A87.9Confident75.8Confident88 Ų88105 Ų10573%0.72760%0.598SS**Hα-helixtrans-71.9-33.6175.400000113.2L352 E353 S354L352-A356 VanDerWaalsContact O-CB 3.29Å; L352-A356 WeakPolarHBondContact O-CB 3.29Å; L352-A356 PolarHBondContact O-N 2.98Å; E353-A356 PolarHBondContact O-N 3.4Å; S354-A356 VanDerWaalsContact C-N 3.27Å; S354-A356 PolarHBondContact O-N 3.37Å
357T85.7Confident73.5Confident102 Ų102107.6 Ų107.663%0.62661%0.612SS**Hα-helixtrans-84.5-42.3-177.1-53.90000112.5E353 S354E353-T357 WeakPolarHBondContact O-CB 3.35Å; E353-T357 PolarHBondContact O-N 2.9Å; E353-T357 PolarHBondContact O-OG1 3.34Å; S354-T357 PolarHBondContact O-N 3.22Å
358F80.8Confident71.2Confident163 Ų163115.8 Ų115.872%0.71563%0.63SS**Hα-helixtrans-110-0.3-171.9-58.6-75.1000113.4S354S354-F358 WeakPolarHBondContact O-CD2 3.3Å; S354-F358 PolarHBondContact O-N 3.32Å
359G73.6Confident68.9Low39 Ų39114.2 Ų114.240%0.40264%0.64SS.*  trans76.6156.5-171.400000112.3E355 Q361E355-G359 CarbonylContact O-C 3.59Å; E355-G359 VanDerWaalsContact O-C 3.28Å; E355-G359 WeakPolarHBondContact O-CA 3.4Å; E355-G359 PolarHBondContact O-N 2.89Å; G359-Q361 PolarHBondContact O-N 3.5Å; G359-Q361 VanDerWaalsContact O-N 3.11Å
360S69.5Low66.9Low67 Ų67116.2 Ų116.247%0.46965%0.653SS.*  trans-66.7110.1175.2-177.80000110.3N362S360-N362 PolarHBondContact O-N 2.92Å; S360-N362 PolarHBondContact OG-OD1 3.31Å
361Q59.6Low64.7Low180 Ų180119.3 Ų119.384%0.84167%0.669SS**  trans-74.986.2160.6-67.5-166.610.900107.8G359 A363G359-Q361 PolarHBondContact O-N 3.5Å; G359-Q361 VanDerWaalsContact O-N 3.11Å; Q361-A363 VanDerWaalsContact C-N 3.3Å; Q361-A363 PolarHBondContact O-N 2.91Å
362N56Low62.8Low131 Ų131121.1 Ų121.170%0.70168%0.682SS**  trans-61.396.7167.8-69.7-18.2000107.6S360 L364S360-N362 PolarHBondContact O-N 2.92Å; S360-N362 PolarHBondContact OG-OD1 3.31Å; N362-L364 PolarHBondContact O-N 3.43Å
363A49.9Very low60.7Low94 Ų94124.7 Ų124.778%0.77770%0.701SS**  trans-56.8107.7161.200000106.4Q361Q361-A363 VanDerWaalsContact C-N 3.3Å; Q361-A363 PolarHBondContact O-N 2.91Å
364L47.1Very low58.3Low158 Ų158131.2 Ų131.283%0.82772%0.721SS**  trans-42123.7178.9-79.8152.4000109.1N362 T366N362-L364 PolarHBondContact O-N 3.43Å; L364-T366 PolarHBondContact O-N 3.28Å
365P46.3Very low56.1Low117 Ų117132.7 Ų132.776%0.7674%0.737SS**  trans-62.3114.1-178.124.4-31.3000107.9L367P365-L367 PolarHBondContact O-N 2.91Å
366T43.6Very low53.8Low132 Ų132135 Ų13581%0.8176%0.758SS**  trans-51.8116.1170.8-46.20000107.6L364 R368L364-T366 PolarHBondContact O-N 3.28Å; T366-R368 PolarHBondContact O-N 3.49Å
367L42.9Very low51.7Low165 Ų165139.2 Ų139.286%0.86477%0.767SS**  trans-47.1108.1177.4-78.8161.4000108.9P365 S369P365-L367 PolarHBondContact O-N 2.91Å; L367-S369 VanDerWaalsContact C-N 3.33Å; L367-S369 PolarHBondContact O-N 3.01Å
368R44.4Very low49.6Very low234 Ų234139.3 Ų139.388%0.88377%0.772SS**  trans-64.9100.3166.8-77.9-176.5179.9179.30.3106.6T366 I370T366-R368 PolarHBondContact O-N 3.49Å; R368-I370 PolarHBondContact O-N 3.28Å; R368-I370 VanDerWaalsContact O-N 3.11Å
369S41.1Very low48Very low109 Ų109140.6 Ų140.676%0.76278%0.78SS**  trans-50.7113.2169.5-177.90000109L367 P371L367-S369 VanDerWaalsContact C-N 3.33Å; L367-S369 PolarHBondContact O-N 3.01Å; S369-P371 WeakPolarHBondContact O-CD 3.49Å
370I48.3Very low46.5Very low146 Ų146147.6 Ų147.675%0.74980%0.8SS**  trans-87.7113.8172.1-60.6168.8000106.3R368 N372R368-I370 PolarHBondContact O-N 3.28Å; R368-I370 VanDerWaalsContact O-N 3.11Å; I370-N372 PolarHBondContact O-N 3.01Å; I370-N372 VanDerWaalsContact O-N 3.09Å
371P44.9Very low45.2Very low117 Ų117150.5 Ų150.576%0.7681%0.81SS**  trans-78.299.4170.8-7.125.7000109.1S369S369-P371 WeakPolarHBondContact O-CD 3.49Å
372N47.2Very low44.3Very low153 Ų153150.1 Ų150.182%0.81881%0.808SS**  trans12.8106.8154.2-67.2-36.3000118.5I370 R374I370-N372 PolarHBondContact O-N 3.01Å; I370-N372 VanDerWaalsContact O-N 3.09Å; N372-R374 PolarHBondContact O-N 3.44Å
373L42.7Very low43.6Very low186 Ų186148.2 Ų148.297%0.97481%0.811SS**  trans-82.898.2151.1-80.6159.2000108.9
374R38.9Very low43.3Very low243 Ų243149.1 Ų149.192%0.91781%0.809SS**  trans-148.1113.5157.5-144178.2-153.1175.36.4109.5N372N372-R374 PolarHBondContact O-N 3.44Å
375A39.3Very low43.1Very low92 Ų92152.9 Ų152.976%0.7681%0.812SS**  trans-86.6175173.400000110.5
376P41Very low42.7Very low119 Ų119154.9 Ų154.977%0.77382%0.816SS**  -123.2154.1-92.532.5-15.4000113
377L42Very low42.7Very low177 Ų177157.2 Ų157.293%0.92782%0.818SS**  trans-137.4110.7164.6-86.7166.2000110.8
378S41.7Very low42.3Very low104 Ų104156.5 Ų156.573%0.72781%0.814SS**  trans0.8123152.3-168.70000117.8
379Q48.1Very low42Very low190 Ų190152.7 Ų152.789%0.88881%0.811SS**  -170.5122.1118.3-98.5168.125.600112.6
380K43.1Very low41.7Very low185 Ų185158.8 Ų158.880%0.80482%0.819SS**  trans-12.8148.2162.9-72173.9172.7179.40121.5
381N41.7Very low41.1Very low129 Ų129156.7 Ų156.769%0.6982%0.817SS**  trans71135.7146-70.520.2000116.1
382E40.6Very low40.5Very low171 Ų171155.9 Ų155.980%0.79982%0.82SS**  cis-163.814920.3-108.8149.8-147.300107.6
383A41.7Very low40Very low92 Ų92155.6 Ų155.676%0.7682%0.824SS**  trans-77.2160.416900000110.2
384P43.5Very low39.8Very low112 Ų112156.2 Ų156.273%0.72782%0.819SS**  -155154.285.836.5-15.6000118.1
385R41.6Very low39.5Very low238 Ų238153.3 Ų153.390%0.89882%0.816SS**  trans55.9110.6133.7-65.2177.5-179.8176.40.3121.3
386N38.1Very low39.3Very low158 Ų158158 Ų15885%0.84582%0.822SS**  trans15.1118.9131.8-75.3-21.1000118.5
387H43.2Very low38.9Very low182 Ų182163.4 Ų163.484%0.84383%0.827SS**  trans-139.9110.9139.6-115.4-73.2000110.2
388N36Very low38.5Very low149 Ų149166.4 Ų166.480%0.79783%0.826SS**  trans-58.2133159.9-91.4-23.7000109.1
389L37Very low37.8Very low155 Ų155169.9 Ų169.981%0.81283%0.832SS**  trans-159.395.9153.9-99149.6000108S391L389-S391 PolarHBondContact O-N 2.8Å
390Y34.4Very low37.1Very low237 Ų237167.3 Ų167.393%0.92983%0.829SS**  trans-67.8117.5161.4-104.8-99.4000107.8
391S36.5Very low36.5Very low101 Ų101165 Ų16571%0.70683%0.825SS**  trans-124.2115.4164.974.90000110.6L389L389-S391 PolarHBondContact O-N 2.8Å
392A32.7Very low35.9Very low101 Ų101165.9 Ų165.984%0.83583%0.828SS**  trans11.6116.5152.600000118.5
393V37.2Very low35.5Very low147 Ų147162.6 Ų162.689%0.89182%0.822SS**  trans-116.5120.7155179.60000109.1
394K37.7Very low34.8Very low199 Ų199164.7 Ų164.787%0.86583%0.825SS**  trans-30.9130.3174.4-74.7168169.31790115.8
395E31.5Very low34.1Very low182 Ų182166 Ų16685%0.8583%0.827SS**  trans-90.3104.9167.6-164152.5-162.600109
396E36.4Very low33.4Very low191 Ų191160.4 Ų160.489%0.89382%0.824SS**  trans-100.796.6176-150.8167.7-142.200108.4R398E396-R398 PolarHBondContact O-N 3.18Å
397R32.6Very low32.9Very low231 Ų231156.6 Ų156.687%0.87280%0.803SS**  trans-64.4109174.4-72.4179.7176.3-175-1.5110
398R33.4Very low32.6Very low241 Ų241156 Ų15691%0.90979%0.793SS**  trans-96.4105.7158.6-110.1-177.7-178.1-177.71.6109.4E396E396-R398 PolarHBondContact O-N 3.18Å
399M27.7Very low33Very low176 Ų176151.8 Ų151.887%0.86777%0.771SS**  trans-65.7127.7160.3-73.6-168.9-67.700109.2
400V32.5Very low33.3Very low136 Ų136147.1 Ų147.182%0.82474%0.744SS**  trans-133.2116.6155.7-178.20000107.3
401L31.1Very low33.1Very low138 Ų138142.4 Ų142.472%0.72373%0.732SS**  trans-81.4124.9175.6-73.4156.5000109.9
402I27.8Very low33.1Very low146 Ų146143.2 Ų143.275%0.74972%0.72SS**  61.2148.2128.6-59.8175.7000117.3
403P32.7Very low32.8Very low103 Ų103147.2 Ų147.267%0.66972%0.722SS**  cis-143.2178.323.220.38.3000118.7
404T26.3Very low32.4Very low135 Ų135142.6 Ų142.683%0.82870%0.704SS**  trans78.5102.2162.573.80000115.4
405N28.9Very low32.3Very low141 Ų141139.8 Ų139.875%0.75470%0.698SS**  trans-127.799.3160-155-14000110N407N405-N407 PolarHBondContact O-N 2.99Å; N405-N407 PolarHBondContact OD1-N 3.4Å; N405-N407 VanDerWaalsContact OD1-N 3.08Å; N405-N407 PolarHBondContact OD1-O 3.47Å
406S27.6Very low32.7Very low120 Ų120133.8 Ų133.884%0.83968%0.68SS**  trans-81.19.6173.9-157.90000112.5
407N28.2Very low32.8Very low77 Ų77133.2 Ų133.241%0.41268%0.677SS.*  trans-132.487.3-179.8-79.8-17000111N405 I409N405-N407 PolarHBondContact O-N 2.99Å; N405-N407 PolarHBondContact OD1-N 3.4Å; N405-N407 VanDerWaalsContact OD1-N 3.08Å; N405-N407 PolarHBondContact OD1-O 3.47Å; N407-I409 VanDerWaalsContact C-N 3.33Å; N407-I409 PolarHBondContact O-N 2.95Å
408R36.3Very low33.1Very low169 Ų169128.6 Ų128.664%0.63867%0.665SS**  trans-85.978.7162.5-159.8177.3-175.3-177.5-1.8107.7F410R408-F410 PolarHBondContact O-N 2.93Å
409I44.1Very low33.5Very low62 Ų62120.5 Ų120.532%0.31865%0.646SS.*  trans-76.979.5160.5-57.1172.9000104.6L259 N407 M411L259-I409 HydrophobicContact CD1-CG2 4.43Å; N407-I409 VanDerWaalsContact C-N 3.33Å; N407-I409 PolarHBondContact O-N 2.95Å; I409-M411 PolarHBondContact O-N 3.28Å
410F43.5Very low34.1Very low56 Ų56116.9 Ų116.925%0.24663%0.629CS.*  trans12.891.7-179.8-59.5-69000116.1E252 Y318 R408 Y412E252-F410 WeakPolarHBondContact OE1-CD2 3.48Å; E252-F410 WeakPolarHBondContact OE1-CG 3.31Å; Y318-F410 HydrophobicContact CD1-CE1 4.06Å; Y318-F410 AromaticContact CD1-CZ 3.71Å; Y318-F410 HydrophobicContact CD1-CZ 3.71Å; Y318-F410 HydrophobicContact CD2-CE1 4.47Å; Y318-F410 AromaticContact CD2-CE2 3.77Å; Y318-F410 HydrophobicContact CD2-CE2 3.77Å; Y318-F410 AromaticContact CD2-CZ 3.49Å; Y318-F410 HydrophobicContact CD2-CZ 3.49Å; Y318-F410 VanDerWaalsContact CD2-CZ 3.49Å; Y318-F410 HydrophobicContact CE1-CD1 4.28Å; Y318-F410 AromaticContact CE1-CE1 3.22Å; Y318-F410 HydrophobicContact CE1-CE1 3.22Å; Y318-F410 HydrophobicContact CE1-CE2 4.22Å; Y318-F410 AromaticContact CE1-CZ 3.22Å; Y318-F410 HydrophobicContact CE1-CZ 3.22Å; Y318-F410 HydrophobicContact CE2-CD2 4.07Å; Y318-F410 AromaticContact CE2-CE1 3.73Å; Y318-F410 HydrophobicContact CE2-CE1 3.73Å; Y318-F410 AromaticContact CE2-CE2 3.12Å; Y318-F410 HydrophobicContact CE2-CE2 3.12Å; Y318-F410 AromaticContact CE2-CZ 2.98Å; Y318-F410 HydrophobicContact CE2-CZ 2.98Å; Y318-F410 AromaticContact CG-CZ 3.84Å; Y318-F410 HydrophobicContact CG-CZ 3.84Å; Y318-F410 AromaticContact CZ-CD1 3.8Å; Y318-F410 AromaticContact CZ-CE1 3.01Å; Y318-F410 AromaticContact CZ-CE2 3.39Å; Y318-F410 AromaticContact CZ-CZ 2.81Å; Y318-F410 WeakPolarHBondContact OH-CD1 3.46Å; Y318-F410 WeakPolarHBondContact OH-CE1 3.49Å; Y318-F410 WeakPolarHBondContact OH-CE2 3.47Å; Y318-F410 WeakPolarHBondContact OH-CZ 3.38Å; R408-F410 PolarHBondContact O-N 2.93Å; F410-Y412 PolarHBondContact O-N 3.14Å; F410-Y412 VanDerWaalsContact O-N 3.09Å
411M30Very low34.7Very low138 Ų138112.2 Ų112.268%0.6860%0.603SS**  trans-59.6111.9170.3-66.4-119.2-60.700109.9I409I409-M411 PolarHBondContact O-N 3.28Å
412Y36.4Very low35.4Very low118 Ų118110.2 Ų110.246%0.46359%0.593SS.*  trans-119.981.2155.1-79-86.6000107.9E199 F410 G414E199-Y412 PolarHBondContact OE1-OH 3.03Å; F410-Y412 PolarHBondContact O-N 3.14Å; F410-Y412 VanDerWaalsContact O-N 3.09Å; Y412-G414 VanDerWaalsContact C-N 3.33Å; Y412-G414 PolarHBondContact O-N 3.14Å
413E26.3Very low36.2Very low185 Ų185108.8 Ų108.886%0.86459%0.586SS**  trans-75.791.4158.8-79.3-175.5155.400107.5
414G30.1Very low36.7Very low51 Ų51110.9 Ų110.953%0.52659%0.587SS.*SBendtrans151.781.5173.600000113.2Y412Y412-G414 VanDerWaalsContact C-N 3.33Å; Y412-G414 PolarHBondContact O-N 3.14Å
415N35.6Very low37.5Very low139 Ų139110.9 Ų110.974%0.74358%0.577SS**  trans168.22.6149.5-87.3-14.4000114.5Q417 H418N415-Q417 PolarHBondContact O-N 2.83Å; N415-H418 PolarHBondContact O-N 3.39Å
416A39.9Very low38.2Very low57 Ų57110.9 Ų110.947%0.47158%0.577SS.*Hα-helixtrans-69.6-20.9-173.500000116.1
417Q37.6Very low39Very low178 Ų178110.1 Ų110.183%0.83257%0.572SS**Hα-helixtrans-76.3-25.7180-72.6-178.1-15.200113.3N415N415-Q417 PolarHBondContact O-N 2.83Å
418H39.8Very low39.8Very low134 Ų134113.5 Ų113.562%0.6259%0.588SS**Hα-helixtrans-76.8-34.6-177.2-139.3-54.4000112.2N415 L420 S421 L422N415-H418 PolarHBondContact O-N 3.39Å; H418-L420 VanDerWaalsContact C-N 3.34Å; H418-L420 PolarHBondContact O-N 3.2Å; H418-S421 PolarHBondContact O-N 3.5Å; H418-S421 PolarHBondContact O-OG 3.43Å; H418-L422 PolarHBondContact O-N 2.94Å
419S41.7Very low39.9Very low71 Ų71110.8 Ų110.850%0.49760%0.595SS.*Hα-helixtrans-71.1-25.6-179.8-39.70000113.7
420L39.4Very low39.5Very low100 Ų100111.5 Ų111.552%0.52462%0.618SS.*Hα-helixtrans-82.4-30.4175.4-84.6160.2000112.5H418H418-L420 VanDerWaalsContact C-N 3.34Å; H418-L420 PolarHBondContact O-N 3.2Å
421S44.4Very low39.3Very low39 Ų39114.7 Ų114.727%0.27365%0.648SS.*Hα-helixtrans-71.1-36.7177.875.20000113.2H418 L423 Q424 E425H418-S421 PolarHBondContact O-N 3.5Å; H418-S421 PolarHBondContact O-OG 3.43Å; S421-L423 PolarHBondContact O-N 3.12Å; S421-L423 VanDerWaalsContact O-N 3.16Å; S421-Q424 PolarHBondContact O-N 3.13Å; S421-E425 PolarHBondContact O-N 3Å
422L46.9Very low39.7Very low96 Ų96113.7 Ų113.750%0.50365%0.654SS.*Hα-helixtrans-64.3-20.4178.5-81.3159.1000113.3H418H418-L422 PolarHBondContact O-N 2.94Å
423L44.1Very low40.1Very low116 Ų116116.2 Ų116.261%0.60767%0.674SS**Hα-helixtrans-87.5-13.6175.5-69.5169.5000113.3S421S421-L423 PolarHBondContact O-N 3.12Å; S421-L423 VanDerWaalsContact O-N 3.16Å
424Q42.6Very low40.9Very low146 Ų146110.4 Ų110.468%0.68266%0.663SS**Hα-helixtrans-91-23.4175-74.3-179.7-47.200112.7S421S421-Q424 PolarHBondContact O-N 3.13Å
425E43.7Very low41.5Very low136 Ų136115.3 Ų115.364%0.63668%0.677SS**Hα-helixtrans-83.2-28.7-178.5-66.7-173.3165.400113.4S421 S427S421-E425 PolarHBondContact O-N 3Å; E425-S427 PolarHBondContact O-N 3.41Å
426D43.8Very low41.8Very low141 Ų141116.9 Ų116.975%0.75468%0.683SS**THydrogen-bonded Turntrans-77.62.8-179.8-78.8-14.9000114.8
427S44.7Very low42Very low104 Ų104118.3 Ų118.373%0.72769%0.694SS**THydrogen-bonded Turntrans-112.65.9179.6-60.60000114.3E425E425-S427 PolarHBondContact O-N 3.41Å
428I44.5Very low42.4Very low147 Ų147119.2 Ų119.275%0.75470%0.695SS**SBendtrans-128.351.8-178.1-44178.6000110.3
429S39.4Very low42.6Very low112 Ų112117.6 Ų117.678%0.78370%0.699SS**  trans-156.4101.8160.760.40000110.7
430G36.1Very low42.8Very low78 Ų78119.3 Ų119.380%0.80471%0.711SS**  trans166.550.7-178.900000114.1
431S38.7Very low43.2Very low123 Ų123119.4 Ų119.486%0.8672%0.72SS**  trans-147.1123.3165.3-960000111.3
432S38.4Very low43.4Very low116 Ų116122.6 Ų122.681%0.81174%0.742SS**  trans129.9149.2146-159.10000113.6
433I45Very low43.5Very low172 Ų172123.4 Ų123.488%0.88276%0.756SS**  trans90.6112.5-174.6-48.5162.8000111.8
434G41.5Very low43.7Very low62 Ų62120.9 Ų120.964%0.63976%0.758SS**  cis145.6109.710.800000109.1
435D43.8Very low44.1Very low154 Ų154124.9 Ų124.982%0.82477%0.769SS**  trans69.3134.7143-80.9-40.2000125
436M42.7Very low44.6Very low173 Ų173124 Ų12485%0.85278%0.777SS**  trans94.8101.1138.3-78.3-177.5-17700122.1
437A43.9Very low45.1Very low86 Ų86125.6 Ų125.671%0.71181%0.81SS**  93.6104.2111.200000120.8
438K44.7Very low45.2Very low198 Ų198126.7 Ų126.786%0.86182%0.815SS**  60.8109.4123.1-69.3-175.6-179.61790120.5
439S45.5Very low45.2Very low99 Ų99125.6 Ų125.669%0.69282%0.818SS**  91.9134.711273.20000120.4
440S45.8Very low45.5Very low107 Ų107126.4 Ų126.475%0.74882%0.82SS**  trans76.6139.4153.8-19.30000114.9
441S47.1Very low46.1Very low102 Ų102129.2 Ų129.271%0.71382%0.821SS**  cis177.3145.7-4.338.10000106.4
442S48.7Very low46.5Very low107 Ų107129.6 Ų129.675%0.74882%0.818SS**  trans72.5132.2146.8114.50000120.8
443S49.1Very low47.1Very low113 Ų113130.5 Ų130.579%0.7982%0.819SS**  trans68.1129.8137.4-165.30000117.1
444G48.6Very low47.2Very low63 Ų63127.6 Ų127.665%0.64981%0.814SS**  cis163.8-178.212.200000109.2
445Y50Low47.7Very low230 Ų230132.6 Ų132.690%0.90283%0.827SS**  trans82.6124.3163-77.8-85.5000121.1
446S54.5Low48Very low116 Ų116130.8 Ų130.881%0.81183%0.828SS**  trans-60152.8174.6-540000115.5
447A55.4Low48.5Very low176 Ų176127 Ų127100%1.45583%0.826SS**  -134.60121.600000107.8

Retrieved 447 of 447 residues in 120.4 ms (Link to these results)

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