G4VCG2_SCHMA Loading...

Putative pou Transcription factor

AlphaFold DB , UniProt , Accession G4VCG2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 302 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
1M49Very low62.4Low239 Ų23980.5 Ų80.5100%1.17745%0.446SS*.  0112.70-77.1-179.8152.400106.6
2T57.2Low61.5Low89 Ų8985.3 Ų85.355%0.54647%0.47SS..  trans-67126.8170.338.40000107.8
3S64.6Low60.6Low58 Ų5888 Ų8841%0.40648%0.477SS..  trans-71.1147.3176.4179.50000109.1S5 D6S3-S5 PolarHBondContact O-N 2.94Å; S3-S5 PolarHBondContact OG-N 3.27Å; S3-S5 PolarHBondContact OG-OG 3.46Å; S3-S5 VanDerWaalsContact OG-OG 3.14Å; S3-D6 PolarHBondContact N-OD2 3.41Å; S3-D6 WeakPolarHBondContact O-CB 3.4Å; S3-D6 PolarHBondContact O-N 2.9Å
4L63.8Low59.3Low21 Ų2190.5 Ų90.511%0.1150%0.497CS..Hα-helixtrans-54.6-24.3170.2-102.8138.1000112.3D6 I7 L8 L22 L44 I52L4-D6 VanDerWaalsContact C-N 3.31Å; L4-D6 PolarHBondContact O-N 3.07Å; L4-I7 PolarHBondContact O-N 2.8Å; L4-L8 HydrophobicContact CD2-CD1 4.28Å; L4-L8 PolarHBondContact O-N 2.75Å; L4-L22 HydrophobicContact CD2-CD1 4.41Å; L4-L44 WeakPolarHBondContact CD1-O 3.4Å; L4-L44 HydrophobicContact CD2-CB 4.35Å; L4-I52 HydrophobicContact CD1-CD1 4.26Å; L4-I52 HydrophobicContact CD2-CD1 4.03Å
5S62.7Low58.1Low68 Ų6898.3 Ų98.348%0.47652%0.523SS..Hα-helixtrans-61.9-33.8170.9-46.60000113.7S3 I7S3-S5 PolarHBondContact O-N 2.94Å; S3-S5 PolarHBondContact OG-N 3.27Å; S3-S5 PolarHBondContact OG-OG 3.46Å; S3-S5 VanDerWaalsContact OG-OG 3.14Å; S5-I7 VanDerWaalsContact C-N 3.27Å
6D65.6Low57.6Low104 Ų104101.6 Ų101.656%0.55654%0.535SS*.Hα-helixtrans-77.1-21.9-179.4-54.1-34.9000111.4S3 L4S3-D6 PolarHBondContact N-OD2 3.41Å; S3-D6 WeakPolarHBondContact O-CB 3.4Å; S3-D6 PolarHBondContact O-N 2.9Å; L4-D6 VanDerWaalsContact C-N 3.31Å; L4-D6 PolarHBondContact O-N 3.07Å
7I69.3Low57Low26 Ų26101.9 Ų101.913%0.13355%0.545CS..Hα-helixtrans-92.4-36.8-174.6-67.5175.2000110.9L4 S5 L9 L22 T23L4-I7 PolarHBondContact O-N 2.8Å; S5-I7 VanDerWaalsContact C-N 3.27Å; I7-L9 PolarHBondContact O-N 3.29Å; I7-L22 HydrophobicContact CG2-CB 4.37Å; I7-L22 HydrophobicContact CG2-CD1 3.55Å; I7-L22 HydrophobicContact CG2-CD2 3.9Å; I7-L22 HydrophobicContact CG2-CG 3.31Å; I7-T23 WeakPolarHBondContact O-CB 3.39Å; I7-T23 PolarHBondContact O-N 3.09Å; I7-T23 PolarHBondContact O-OG1 3.42Å
8L69.7Low56.8Low15 Ų15104.7 Ų104.78%0.07956%0.56CS.*EExtended strand (participates in β ladder)trans-85.5101.4-179.3-75.6167.4000111.2L4 F21 L22 I36 V41L4-L8 HydrophobicContact CD2-CD1 4.28Å; L4-L8 PolarHBondContact O-N 2.75Å; L8-F21 WeakPolarHBondContact CA-O 3.41Å; L8-L22 HydrophobicContact CD2-CD1 3.73Å; L8-L22 HydrophobicContact CG-CD1 4.05Å; L8-I36 HydrophobicContact CD2-CD1 3.57Å; L8-V41 HydrophobicContact CD1-CG1 4.26Å
9L66.6Low57.1Low81 Ų81102.7 Ų102.742%0.42455%0.549SS..EExtended strand (participates in β ladder)trans-108.7136.9178.8-64.1177.2000111.3I7 F21 T23I7-L9 PolarHBondContact O-N 3.29Å; L9-F21 PolarHBondContact N-O 2.78Å; L9-F21 VanDerWaalsContact N-O 3.15Å; L9-F21 PolarHBondContact O-N 3.01Å; L9-T23 HydrophobicContact CD1-CG2 4.46Å
10P61.6Low57.7Low110 Ų110100 Ų10071%0.71453%0.534SS*.EExtended strand (participates in β ladder)trans-62.1138.1166.4-15.628.2000110.3
11W55.7Low58.5Low75 Ų7595.9 Ų95.928%0.28451%0.512SS..  trans-88.9134.4179-178.6-120.6000112.5H13 D19 F21 Y82W11-H13 AromaticContact CE2-CE1 3.69Å; W11-H13 AromaticContact CE2-ND1 3.37Å; W11-H13 AromaticContact CH2-CE1 3.66Å; W11-H13 AromaticContact CH2-ND1 3.37Å; W11-H13 WeakPolarHBondContact CH2-ND1 3.46Å; W11-H13 AromaticContact CZ2-CE1 3.05Å; W11-H13 WeakPolarHBondContact CZ2-CE1 3.28Å; W11-H13 AromaticContact CZ2-ND1 3Å; W11-H13 WeakPolarHBondContact CZ2-ND1 3.43Å; W11-H13 AromaticContact NE1-CE1 3.95Å; W11-H13 AromaticContact NE1-ND1 3.7Å; W11-D19 VanDerWaalsContact CB-O 3.31Å; W11-D19 WeakPolarHBondContact CB-O 3.43Å; W11-F21 HydrophobicContact CB-CD2 3.53Å; W11-F21 HydrophobicContact CB-CE2 3.39Å; W11-F21 AromaticContact CD1-CE2 3.76Å; W11-F21 HydrophobicContact CD2-CD2 4.22Å; W11-F21 AromaticContact CD2-CE2 3.76Å; W11-F21 HydrophobicContact CD2-CE2 3.76Å; W11-F21 HydrophobicContact CD2-CZ 4.15Å; W11-F21 HydrophobicContact CE3-CD2 4.5Å; W11-F21 HydrophobicContact CE3-CE2 4.42Å; W11-F21 AromaticContact CG-CD2 3.91Å; W11-F21 HydrophobicContact CG-CD2 3.91Å; W11-F21 AromaticContact CG-CE2 3.36Å; W11-F21 HydrophobicContact CG-CE2 3.36Å; W11-F21 HydrophobicContact CG-CZ 4.1Å; W11-Y82 HydrophobicContact CE3-CD1 4.24Å; W11-Y82 AromaticContact CE3-CE1 3.63Å; W11-Y82 HydrophobicContact CE3-CE1 3.63Å; W11-Y82 AromaticContact CH2-CD1 3.37Å; W11-Y82 HydrophobicContact CH2-CD1 3.37Å; W11-Y82 AromaticContact CH2-CD2 3.98Å; W11-Y82 HydrophobicContact CH2-CD2 3.98Å; W11-Y82 AromaticContact CH2-CE1 2.92Å; W11-Y82 HydrophobicContact CH2-CE1 2.92Å; W11-Y82 AromaticContact CH2-CE2 3.53Å; W11-Y82 HydrophobicContact CH2-CE2 3.53Å; W11-Y82 AromaticContact CH2-CG 3.94Å; W11-Y82 HydrophobicContact CH2-CG 3.94Å; W11-Y82 AromaticContact CH2-CZ 3.01Å; W11-Y82 WeakPolarHBondContact CH2-OH 3.31Å; W11-Y82 AromaticContact CZ2-CD1 3.83Å; W11-Y82 HydrophobicContact CZ2-CD1 3.83Å; W11-Y82 AromaticContact CZ2-CE1 3.83Å; W11-Y82 HydrophobicContact CZ2-CE1 3.83Å; W11-Y82 HydrophobicContact CZ2-CE2 4.49Å; W11-Y82 HydrophobicContact CZ2-CG 4.29Å; W11-Y82 AromaticContact CZ3-CD1 3.64Å; W11-Y82 HydrophobicContact CZ3-CD1 3.64Å; W11-Y82 AromaticContact CZ3-CE1 2.81Å; W11-Y82 HydrophobicContact CZ3-CE1 2.81Å; W11-Y82 HydrophobicContact CZ3-CE2 4.09Å; W11-Y82 AromaticContact CZ3-CZ 3.11Å; W11-Y82 WeakPolarHBondContact CZ3-OH 3.05Å
12D52.1Low59.7Low137 Ų13784.8 Ų84.873%0.73346%0.457SS*.  trans-148115.1160.3-170.41.8000112.3T14D12-T14 PolarHBondContact OD1-N 2.96Å
13H49.8Very low60.5Low121 Ų12181.7 Ų81.756%0.5644%0.438SS*.SBendtrans-146.981.6142.572.4-52.6000110.2W11W11-H13 AromaticContact CE2-CE1 3.69Å; W11-H13 AromaticContact CE2-ND1 3.37Å; W11-H13 AromaticContact CH2-CE1 3.66Å; W11-H13 AromaticContact CH2-ND1 3.37Å; W11-H13 WeakPolarHBondContact CH2-ND1 3.46Å; W11-H13 AromaticContact CZ2-CE1 3.05Å; W11-H13 WeakPolarHBondContact CZ2-CE1 3.28Å; W11-H13 AromaticContact CZ2-ND1 3Å; W11-H13 WeakPolarHBondContact CZ2-ND1 3.43Å; W11-H13 AromaticContact NE1-CE1 3.95Å; W11-H13 AromaticContact NE1-ND1 3.7Å
14T42.7Very low60.9Low123 Ų12380.5 Ų80.576%0.75543%0.426SS*.SBendtrans77.339.615569.80000120D12D12-T14 PolarHBondContact OD1-N 2.96Å
15K41.4Very low61.5Low207 Ų20787.5 Ų87.590%0.945%0.451SS*.SBendtrans119.887.3157.9-64.8170.1-179.8-172.60116.7
16Q49.9Very low61.9Low151 Ų15187.5 Ų87.571%0.70645%0.445SS*.  trans-151.5145.3130.9-84.7-160.8-22.400107.1
17P47.1Very low62.4Low108 Ų10888 Ų8870%0.70146%0.456SS*.SBendtrans-77.1131-17431.7-30.8000110.9D19P17-D19 PolarHBondContact O-N 3.36Å
18D53.4Low62.4Low152 Ų15290.7 Ų90.781%0.81347%0.471SS*.  trans59.332.3156.2-52.8-25.8000120.2
19D63.5Low62.5Low67 Ų6793.7 Ų93.736%0.35849%0.487SS..  trans-80.2125169.8-80.2-17.2000111.7W11 P17 F21W11-D19 VanDerWaalsContact CB-O 3.31Å; W11-D19 WeakPolarHBondContact CB-O 3.43Å; P17-D19 PolarHBondContact O-N 3.36Å; D19-F21 HydrophobicContact CB-CD2 4.48Å; D19-F21 HydrophobicContact CB-CE2 3.71Å; D19-F21 HydrophobicContact CB-CZ 4.37Å
20L68.6Low62.5Low48 Ų4890 Ų9025%0.25147%0.468SS..EExtended strand (participates in β ladder)trans-88.6141.6172.9-76160.8000110I36 V41L20-I36 PolarHBondContact O-N 3.38Å; L20-V41 HydrophobicContact CD1-CG2 3.36Å
21F73.2Confident62.9Low14 Ų1486.8 Ų86.86%0.06145%0.445CS..EExtended strand (participates in β ladder)trans-122.7140.6178-71.3-105.3000112.1L8 L9 W11 D19 H33 V34 P35 Y82L8-F21 WeakPolarHBondContact CA-O 3.41Å; L9-F21 PolarHBondContact N-O 2.78Å; L9-F21 VanDerWaalsContact N-O 3.15Å; L9-F21 PolarHBondContact O-N 3.01Å; W11-F21 HydrophobicContact CB-CD2 3.53Å; W11-F21 HydrophobicContact CB-CE2 3.39Å; W11-F21 AromaticContact CD1-CE2 3.76Å; W11-F21 HydrophobicContact CD2-CD2 4.22Å; W11-F21 AromaticContact CD2-CE2 3.76Å; W11-F21 HydrophobicContact CD2-CE2 3.76Å; W11-F21 HydrophobicContact CD2-CZ 4.15Å; W11-F21 HydrophobicContact CE3-CD2 4.5Å; W11-F21 HydrophobicContact CE3-CE2 4.42Å; W11-F21 AromaticContact CG-CD2 3.91Å; W11-F21 HydrophobicContact CG-CD2 3.91Å; W11-F21 AromaticContact CG-CE2 3.36Å; W11-F21 HydrophobicContact CG-CE2 3.36Å; W11-F21 HydrophobicContact CG-CZ 4.1Å; D19-F21 HydrophobicContact CB-CD2 4.48Å; D19-F21 HydrophobicContact CB-CE2 3.71Å; D19-F21 HydrophobicContact CB-CZ 4.37Å; F21-H33 HydrophobicContact CB-CB 4.2Å; F21-H33 HydrophobicContact CD1-CB 3.83Å; F21-H33 HydrophobicContact CG-CB 4.32Å; F21-V34 CarbonylContact C-O 3.45Å; F21-V34 VanDerWaalsContact CA-O 3.23Å; F21-V34 WeakPolarHBondContact CA-O 3.17Å; F21-V34 VanDerWaalsContact CD1-C 3.49Å; F21-P35 HydrophobicContact CD1-CB 4.05Å; F21-P35 HydrophobicContact CE1-CB 3.6Å; F21-P35 HydrophobicContact CE1-CG 4.16Å; F21-P35 HydrophobicContact CZ-CB 3.98Å; F21-Y82 HydrophobicContact CD1-CD1 4.29Å; F21-Y82 HydrophobicContact CE1-CD1 4.14Å
22L75.2Confident63.6Low6 Ų684.6 Ų84.63%0.03144%0.439CS..EExtended strand (participates in β ladder)trans-80.9122.2163.7-139.379.3000109.2L4 I7 L8 F24 H33 V34 I36 I52L4-L22 HydrophobicContact CD2-CD1 4.41Å; I7-L22 HydrophobicContact CG2-CB 4.37Å; I7-L22 HydrophobicContact CG2-CD1 3.55Å; I7-L22 HydrophobicContact CG2-CD2 3.9Å; I7-L22 HydrophobicContact CG2-CG 3.31Å; L8-L22 HydrophobicContact CD2-CD1 3.73Å; L8-L22 HydrophobicContact CG-CD1 4.05Å; L22-F24 HydrophobicContact CB-CD2 4.49Å; L22-F24 HydrophobicContact CB-CE2 3.81Å; L22-F24 HydrophobicContact CB-CZ 4.3Å; L22-F24 HydrophobicContact CD2-CD1 4.47Å; L22-F24 HydrophobicContact CD2-CD2 4.41Å; L22-F24 HydrophobicContact CD2-CE1 3.54Å; L22-F24 HydrophobicContact CD2-CE2 3.44Å; L22-F24 VanDerWaalsContact CD2-CE2 3.44Å; L22-F24 HydrophobicContact CD2-CZ 2.99Å; L22-F24 HydrophobicContact CG-CE2 4.03Å; L22-F24 HydrophobicContact CG-CZ 4.04Å; L22-H33 CarbonylContact O-C 3.46Å; L22-H33 VanDerWaalsContact O-CA 3.25Å; L22-H33 WeakPolarHBondContact O-CA 3.39Å; L22-V34 HydrophobicContact CB-CB 4.16Å; L22-V34 PolarHBondContact N-O 3.29Å; L22-V34 PolarHBondContact O-N 3.29Å; L22-I36 HydrophobicContact CB-CD1 3.51Å; L22-I36 HydrophobicContact CB-CG1 4.33Å; L22-I36 HydrophobicContact CD1-CD1 3.36Å; L22-I36 HydrophobicContact CG-CD1 3.97Å; L22-I52 HydrophobicContact CD2-CG2 3.61Å
23T74.5Confident64.7Low24 Ų2479 Ų7915%0.14741%0.409CS..EExtended strand (participates in β ladder)trans-105.4114.8-178.7-53.90000110.5I7 L9 I31 V32 H33I7-T23 WeakPolarHBondContact O-CB 3.39Å; I7-T23 PolarHBondContact O-N 3.09Å; I7-T23 PolarHBondContact O-OG1 3.42Å; L9-T23 HydrophobicContact CD1-CG2 4.46Å; T23-I31 HydrophobicContact CG2-CG2 3.38Å; T23-V32 WeakPolarHBondContact CA-O 3.26Å; T23-H33 VanDerWaalsContact CG2-CE1 3.41Å; T23-H33 WeakPolarHBondContact CG2-CE1 3.44Å; T23-H33 PolarHBondContact OG1-CE1 3.21Å; T23-H33 PolarHBondContact OG1-ND1 2.98Å
24F73.4Confident65.9Low33 Ų3374 Ų7415%0.14539%0.387CS..EExtended strand (participates in β ladder)trans-105.9132.3176.8-59.6-87.1000110.1L22 I31 V32 V34 L53 L56L22-F24 HydrophobicContact CB-CD2 4.49Å; L22-F24 HydrophobicContact CB-CE2 3.81Å; L22-F24 HydrophobicContact CB-CZ 4.3Å; L22-F24 HydrophobicContact CD2-CD1 4.47Å; L22-F24 HydrophobicContact CD2-CD2 4.41Å; L22-F24 HydrophobicContact CD2-CE1 3.54Å; L22-F24 HydrophobicContact CD2-CE2 3.44Å; L22-F24 VanDerWaalsContact CD2-CE2 3.44Å; L22-F24 HydrophobicContact CD2-CZ 2.99Å; L22-F24 HydrophobicContact CG-CE2 4.03Å; L22-F24 HydrophobicContact CG-CZ 4.04Å; F24-I31 CarbonylContact O-C 3.57Å; F24-I31 WeakPolarHBondContact O-CA 3.28Å; F24-V32 HydrophobicContact CB-CB 4.42Å; F24-V32 PolarHBondContact N-O 2.92Å; F24-V32 PolarHBondContact O-N 2.95Å; F24-V34 HydrophobicContact CD2-CG2 3.9Å; F24-V34 HydrophobicContact CE2-CB 4.19Å; F24-V34 HydrophobicContact CE2-CG2 3.58Å; F24-L53 HydrophobicContact CD1-CD2 3.59Å; F24-L53 HydrophobicContact CE1-CD2 3.33Å; F24-L53 HydrophobicContact CE1-CG 4.21Å; F24-L53 HydrophobicContact CZ-CD2 4.41Å; F24-L56 HydrophobicContact CD2-CD2 3.93Å; F24-L56 HydrophobicContact CE1-CD2 4.21Å; F24-L56 HydrophobicContact CE2-CD1 3.79Å; F24-L56 HydrophobicContact CE2-CD2 3.42Å; F24-L56 VanDerWaalsContact CE2-CD2 3.42Å; F24-L56 HydrophobicContact CE2-CG 4.13Å; F24-L56 HydrophobicContact CG-CD2 4.47Å; F24-L56 HydrophobicContact CZ-CB 4.27Å; F24-L56 HydrophobicContact CZ-CD1 3.91Å; F24-L56 HydrophobicContact CZ-CD2 3.5Å; F24-L56 VanDerWaalsContact CZ-CD2 3.5Å; F24-L56 HydrophobicContact CZ-CG 4.06Å
25R75.7Confident67.4Low168 Ų16871.2 Ų71.263%0.63437%0.371SS*.EExtended strand (participates in β ladder)trans-116.1125.8171.7-176.6177.3175.7174.8-0.6109.1D29 C30 I31R25-D29 IonicContact CZ-OD1 2.73Å; R25-D29 IonicContact NE-OD1 2.9Å; R25-D29 PolarHBondContact NE-OD1 3.02Å; R25-D29 IonicContact NH2-OD1 3.87Å; R25-D29 PolarHBondContact NH2-OD1 3.45Å; R25-D29 IonicContact NH2-OD2 3.73Å; R25-D29 PolarHBondContact NH2-OD2 3.39Å; R25-D29 VanDerWaalsContact NH2-OD2 3.1Å; R25-C30 VanDerWaalsContact CA-O 3.3Å; R25-C30 WeakPolarHBondContact CA-O 3.49Å; R25-I31 HydrophobicContact CG-CG1 4.41Å
26N71.1Confident68.8Low67 Ų6762.1 Ų62.136%0.35833%0.332SS..  trans-89-179.4174.780.5-11.5000111.7D28 D29 C30N26-D28 PolarHBondContact O-N 3.38Å; N26-D28 WeakPolarHBondContact OD1-CA 3.37Å; N26-D28 PolarHBondContact OD1-N 3.02Å; N26-D29 PolarHBondContact O-N 3.21Å; N26-D29 PolarHBondContact OD1-N 3.01Å; N26-C30 PolarHBondContact N-O 3.02Å; N26-C30 WeakPolarHBondContact OD1-CA 3.23Å; N26-C30 VanDerWaalsContact OD1-CB 3.25Å; N26-C30 WeakPolarHBondContact OD1-CB 3.27Å; N26-C30 PolarHBondContact OD1-N 3.33Å
27S75Confident69.8Low114 Ų11457.3 Ų57.380%0.79732%0.318SS*.THydrogen-bonded Turntrans-63.6-19.4177.753.70000114.7D29S27-D29 VanDerWaalsContact C-N 3.33Å
28D70.5Confident70.8Confident84 Ų8455.6 Ų55.645%0.44931%0.313SS..THydrogen-bonded Turntrans-94.514178.9-55.9-43.4000112.1N26 C30 P77 G78N26-D28 PolarHBondContact O-N 3.38Å; N26-D28 WeakPolarHBondContact OD1-CA 3.37Å; N26-D28 PolarHBondContact OD1-N 3.02Å; D28-C30 PolarHBondContact O-N 3.49Å; D28-C30 VanDerWaalsContact O-N 3.14Å; D28-P77 HydrophobicContact CB-CB 4.21Å; D28-P77 HydrophobicContact CB-CG 4.36Å; D28-P77 CarbonylContact O-C 3.46Å; D28-P77 WeakPolarHBondContact O-CA 3.3Å; D28-P77 VanDerWaalsContact O-CB 3.31Å; D28-P77 WeakPolarHBondContact O-CB 3.47Å; D28-G78 PolarHBondContact O-N 3.08Å
29D72.2Confident71.8Confident77 Ų7752.7 Ų52.741%0.41230%0.304SS..  trans60.216.9-173.9-70.9-16.7000115R25 N26 S27 I31 G78R25-D29 IonicContact CZ-OD1 2.73Å; R25-D29 IonicContact NE-OD1 2.9Å; R25-D29 PolarHBondContact NE-OD1 3.02Å; R25-D29 IonicContact NH2-OD1 3.87Å; R25-D29 PolarHBondContact NH2-OD1 3.45Å; R25-D29 IonicContact NH2-OD2 3.73Å; R25-D29 PolarHBondContact NH2-OD2 3.39Å; R25-D29 VanDerWaalsContact NH2-OD2 3.1Å; N26-D29 PolarHBondContact O-N 3.21Å; N26-D29 PolarHBondContact OD1-N 3.01Å; S27-D29 VanDerWaalsContact C-N 3.33Å; D29-I31 PolarHBondContact O-N 2.98Å; D29-G78 CarbonylContact O-C 3.47Å; D29-G78 VanDerWaalsContact O-CA 3.22Å; D29-G78 WeakPolarHBondContact O-CA 3.3Å
30C66.2Low72.2Confident3 Ų353.4 Ų53.42%0.0231%0.308CS..  trans-72.6127.6170.8-60.40000109.3R25 N26 D28 L76 S79R25-C30 VanDerWaalsContact CA-O 3.3Å; R25-C30 WeakPolarHBondContact CA-O 3.49Å; N26-C30 PolarHBondContact N-O 3.02Å; N26-C30 WeakPolarHBondContact OD1-CA 3.23Å; N26-C30 VanDerWaalsContact OD1-CB 3.25Å; N26-C30 WeakPolarHBondContact OD1-CB 3.27Å; N26-C30 PolarHBondContact OD1-N 3.33Å; D28-C30 PolarHBondContact O-N 3.49Å; D28-C30 VanDerWaalsContact O-N 3.14Å; C30-L76 PolarHBondContact SG-O 3.21Å; C30-L76 VanDerWaalsContact SG-O 3.38Å; C30-S79 CarbonylContact C-O 3.51Å; C30-S79 VanDerWaalsContact CA-O 3.23Å; C30-S79 WeakPolarHBondContact CA-O 3.25Å
31I69.6Low72.3Confident43 Ų4351.8 Ų51.822%0.22130%0.3CS..EExtended strand (participates in β ladder)trans-106.1125.8-179.7-56.8179.9000109T23 F24 R25 D29 S79 I80 F81T23-I31 HydrophobicContact CG2-CG2 3.38Å; F24-I31 CarbonylContact O-C 3.57Å; F24-I31 WeakPolarHBondContact O-CA 3.28Å; R25-I31 HydrophobicContact CG-CG1 4.41Å; D29-I31 PolarHBondContact O-N 2.98Å; I31-S79 PolarHBondContact N-O 3.26Å; I31-I80 HydrophobicContact CB-CG1 4.16Å; I31-I80 HydrophobicContact CB-CG2 4.35Å; I31-I80 HydrophobicContact CD1-CG1 4.33Å; I31-I80 HydrophobicContact CG2-CG2 4.46Å; I31-I80 CarbonylContact O-C 3.58Å; I31-I80 VanDerWaalsContact O-CA 3.29Å; I31-I80 WeakPolarHBondContact O-CA 3.49Å; I31-F81 PolarHBondContact O-N 3.38Å
32V70.5Confident72.4Confident29 Ų2956.8 Ų56.818%0.17633%0.328CS..EExtended strand (participates in β ladder)trans-119.3120.9176.8-1780000108.6T23 F24 V34 F81 V83T23-V32 WeakPolarHBondContact CA-O 3.26Å; F24-V32 HydrophobicContact CB-CB 4.42Å; F24-V32 PolarHBondContact N-O 2.92Å; F24-V32 PolarHBondContact O-N 2.95Å; V32-V34 HydrophobicContact CG1-CG2 4.25Å; V32-F81 CarbonylContact C-O 3.52Å; V32-F81 WeakPolarHBondContact CA-O 3.47Å; V32-F81 HydrophobicContact CG2-CB 4.35Å; V32-F81 HydrophobicContact CG2-CD2 4.32Å; V32-V83 HydrophobicContact CG1-CG2 3.54Å
33H75.2Confident72.5Confident21 Ų2159.9 Ų59.910%0.09735%0.35CS..EExtended strand (participates in β ladder)trans-100.9129.8176.1-63-80.6000109.9F21 L22 T23 F81 Y82 V83F21-H33 HydrophobicContact CB-CB 4.2Å; F21-H33 HydrophobicContact CD1-CB 3.83Å; F21-H33 HydrophobicContact CG-CB 4.32Å; L22-H33 CarbonylContact O-C 3.46Å; L22-H33 VanDerWaalsContact O-CA 3.25Å; L22-H33 WeakPolarHBondContact O-CA 3.39Å; T23-H33 VanDerWaalsContact CG2-CE1 3.41Å; T23-H33 WeakPolarHBondContact CG2-CE1 3.44Å; T23-H33 PolarHBondContact OG1-CE1 3.21Å; T23-H33 PolarHBondContact OG1-ND1 2.98Å; H33-F81 PolarHBondContact N-O 2.72Å; H33-Y82 HydrophobicContact CB-CD1 3.27Å; H33-Y82 HydrophobicContact CB-CE1 3.36Å; H33-Y82 HydrophobicContact CB-CG 4.18Å; H33-Y82 AromaticContact CD2-CD1 3.78Å; H33-Y82 AromaticContact CD2-CE1 2.99Å; H33-Y82 WeakPolarHBondContact CD2-CE1 3.33Å; H33-Y82 AromaticContact CD2-CZ 3.28Å; H33-Y82 PolarHBondContact CD2-OH 2.74Å; H33-Y82 AromaticContact CG-CD1 3.76Å; H33-Y82 AromaticContact CG-CE1 3.26Å; H33-Y82 AromaticContact NE2-CE1 3.79Å; H33-Y82 AromaticContact NE2-CZ 3.85Å; H33-Y82 PolarHBondContact NE2-OH 3.25Å; H33-Y82 CarbonylContact O-C 3.58Å; H33-Y82 VanDerWaalsContact O-CA 3.31Å; H33-Y82 WeakPolarHBondContact O-CA 3.32Å; H33-V83 PolarHBondContact O-N 3.31Å
34V75.1Confident72.4Confident16 Ų1660.3 Ų60.310%0.09735%0.351CS..EExtended strand (participates in β ladder)trans-118.6118.7-177.2-178.80000108.5F21 L22 F24 V32 L56 V83F21-V34 CarbonylContact C-O 3.45Å; F21-V34 VanDerWaalsContact CA-O 3.23Å; F21-V34 WeakPolarHBondContact CA-O 3.17Å; F21-V34 VanDerWaalsContact CD1-C 3.49Å; L22-V34 HydrophobicContact CB-CB 4.16Å; L22-V34 PolarHBondContact N-O 3.29Å; L22-V34 PolarHBondContact O-N 3.29Å; F24-V34 HydrophobicContact CD2-CG2 3.9Å; F24-V34 HydrophobicContact CE2-CB 4.19Å; F24-V34 HydrophobicContact CE2-CG2 3.58Å; V32-V34 HydrophobicContact CG1-CG2 4.25Å; V34-L56 HydrophobicContact CB-CD1 4.07Å; V34-L56 HydrophobicContact CG1-CD1 3.67Å; V34-L56 HydrophobicContact CG2-CD1 3.63Å; V34-L56 HydrophobicContact CG2-CD2 4.26Å; V34-L56 HydrophobicContact CG2-CG 4.48Å; V34-V83 HydrophobicContact CG2-CB 4.12Å; V34-V83 HydrophobicContact CG2-CG2 3.7Å
35P74Confident72.4Confident63 Ų6365 Ų6541%0.40937%0.368SS..EExtended strand (participates in β ladder)trans-64.7138.4-179.425.2-32000110.9F21 V83F21-P35 HydrophobicContact CD1-CB 4.05Å; F21-P35 HydrophobicContact CE1-CB 3.6Å; F21-P35 HydrophobicContact CE1-CG 4.16Å; F21-P35 HydrophobicContact CZ-CB 3.98Å; P35-V83 VanDerWaalsContact CD-O 3.25Å; P35-V83 WeakPolarHBondContact CD-O 3.25Å
36I70.7Confident72.5Confident17 Ų1761.9 Ų61.99%0.08737%0.371CS..EExtended strand (participates in β ladder)trans-129.1130.7179.2-61.2168.8000108.6L8 L20 L22 N40 V41 L44L8-I36 HydrophobicContact CD2-CD1 3.57Å; L20-I36 PolarHBondContact O-N 3.38Å; L22-I36 HydrophobicContact CB-CD1 3.51Å; L22-I36 HydrophobicContact CB-CG1 4.33Å; L22-I36 HydrophobicContact CD1-CD1 3.36Å; L22-I36 HydrophobicContact CG-CD1 3.97Å; I36-N40 HydrophobicContact CG2-CB 3.8Å; I36-V41 HydrophobicContact CG2-CG2 4.38Å; I36-L44 HydrophobicContact CB-CD1 4.46Å; I36-L44 HydrophobicContact CD1-CD1 3.41Å; I36-L44 VanDerWaalsContact CD1-CD1 3.41Å; I36-L44 HydrophobicContact CG1-CD1 4.01Å; I36-L44 HydrophobicContact CG2-CD1 3.6Å
37A70.2Confident72.8Confident49 Ų4960.7 Ų60.741%0.40537%0.368SS..  trans-67.7140.4170.300000111.2S39 N40A37-S39 PolarHBondContact O-N 2.99Å; A37-N40 WeakPolarHBondContact O-CB 3.43Å; A37-N40 PolarHBondContact O-N 3.48Å
38A69.1Low73Confident73 Ų7358 Ų5860%0.60335%0.35SS*.G310 helixtrans-51.8-33.317900000113.6N40 V41A38-N40 VanDerWaalsContact C-N 3.25Å; A38-N40 PolarHBondContact O-N 3.47Å; A38-V41 WeakPolarHBondContact O-CB 3.41Å; A38-V41 WeakPolarHBondContact O-CG2 3.35Å; A38-V41 PolarHBondContact O-N 3.21Å
39S74.2Confident72.9Confident90 Ų9056.9 Ų56.963%0.62934%0.343SS*.G310 helixtrans-60.8-29.7175.157.80000114.1A37A37-S39 PolarHBondContact O-N 2.99Å
40N72.7Confident72.9Confident83 Ų8357 Ų5744%0.44435%0.351SS..G310 helixtrans-87.3-13.8-175.1-64.8-5.9000112.5I36 A37 A38 N42 S43 L44I36-N40 HydrophobicContact CG2-CB 3.8Å; A37-N40 WeakPolarHBondContact O-CB 3.43Å; A37-N40 PolarHBondContact O-N 3.48Å; A38-N40 VanDerWaalsContact C-N 3.25Å; A38-N40 PolarHBondContact O-N 3.47Å; N40-N42 VanDerWaalsContact C-N 3.33Å; N40-N42 PolarHBondContact O-N 3.38Å; N40-S43 PolarHBondContact O-N 3.41Å; N40-L44 WeakPolarHBondContact O-CG 3.32Å; N40-L44 PolarHBondContact O-N 2.95Å
41V70.5Confident73.5Confident13 Ų1361.8 Ų61.88%0.07938%0.375CS..Hα-helixtrans-59.7-44.6-174.2177.20000111.3L8 L20 I36 A38 L44 R45L8-V41 HydrophobicContact CD1-CG1 4.26Å; L20-V41 HydrophobicContact CD1-CG2 3.36Å; I36-V41 HydrophobicContact CG2-CG2 4.38Å; A38-V41 WeakPolarHBondContact O-CB 3.41Å; A38-V41 WeakPolarHBondContact O-CG2 3.35Å; A38-V41 PolarHBondContact O-N 3.21Å; V41-L44 PolarHBondContact O-N 3.02Å; V41-R45 WeakPolarHBondContact O-CG 3.35Å; V41-R45 PolarHBondContact O-N 3.02Å
42N75.2Confident73.6Confident120 Ų12060.7 Ų60.764%0.64237%0.369SS*.Hα-helixtrans-66.3-40.6-179.9-67.6-23.3000111.6N40 L44 R45 S46N40-N42 VanDerWaalsContact C-N 3.33Å; N40-N42 PolarHBondContact O-N 3.38Å; N42-L44 VanDerWaalsContact C-N 3.32Å; N42-L44 PolarHBondContact O-N 3.35Å; N42-R45 PolarHBondContact O-N 3.14Å; N42-S46 PolarHBondContact O-N 3.45Å; N42-S46 PolarHBondContact O-OG 3.25Å
43S77.9Confident73.6Confident70 Ų7063.6 Ų63.649%0.4938%0.383SS..Hα-helixtrans-65.7-34.4176-52.50000112.7N40 S46 S47N40-S43 PolarHBondContact O-N 3.41Å; S43-S46 PolarHBondContact O-OG 2.69Å; S43-S47 PolarHBondContact O-N 2.63Å; S43-S47 PolarHBondContact O-OG 3.22Å
44L72.1Confident73.5Confident33 Ų3366.5 Ų66.517%0.17341%0.406CS..Hα-helixtrans-73-37175.6-70.8170.5000111.7L4 I36 N40 V41 N42 S46 S47 I52L4-L44 WeakPolarHBondContact CD1-O 3.4Å; L4-L44 HydrophobicContact CD2-CB 4.35Å; I36-L44 HydrophobicContact CB-CD1 4.46Å; I36-L44 HydrophobicContact CD1-CD1 3.41Å; I36-L44 VanDerWaalsContact CD1-CD1 3.41Å; I36-L44 HydrophobicContact CG1-CD1 4.01Å; I36-L44 HydrophobicContact CG2-CD1 3.6Å; N40-L44 WeakPolarHBondContact O-CG 3.32Å; N40-L44 PolarHBondContact O-N 2.95Å; V41-L44 PolarHBondContact O-N 3.02Å; N42-L44 VanDerWaalsContact C-N 3.32Å; N42-L44 PolarHBondContact O-N 3.35Å; L44-S46 PolarHBondContact O-N 2.92Å; L44-S47 PolarHBondContact O-N 2.81Å; L44-S47 VanDerWaalsContact O-N 3.16Å; L44-I52 HydrophobicContact CB-CD1 4.47Å; L44-I52 HydrophobicContact CD2-CD1 3.97Å; L44-I52 HydrophobicContact CD2-CG1 3.92Å; L44-I52 HydrophobicContact CD2-CG2 4.18Å
45R73.4Confident73.3Confident133 Ų13369.9 Ų69.950%0.50242%0.421SS..Hα-helixtrans-62.1-26.8176.3-75.7178.3-173.9-80-0.3113.4V41 N42V41-R45 WeakPolarHBondContact O-CG 3.35Å; V41-R45 PolarHBondContact O-N 3.02Å; N42-R45 PolarHBondContact O-N 3.14Å
46S77.1Confident73Confident101 Ų10168.1 Ų68.171%0.70641%0.408SS*.THydrogen-bonded Turntrans-93.8-9.8176.959.80000114.2N42 S43 L44N42-S46 PolarHBondContact O-N 3.45Å; N42-S46 PolarHBondContact O-OG 3.25Å; S43-S46 PolarHBondContact O-OG 2.69Å; L44-S46 PolarHBondContact O-N 2.92Å
47S77.2Confident72.8Confident42 Ų4270.3 Ų70.329%0.29442%0.424SS..SBendtrans-90.2144.6-179.3-63.50000111.1S43 L44S43-S47 PolarHBondContact O-N 2.63Å; S43-S47 PolarHBondContact O-OG 3.22Å; L44-S47 PolarHBondContact O-N 2.81Å; L44-S47 VanDerWaalsContact O-N 3.16Å
48S78.7Confident73Confident59 Ų5974.6 Ų74.641%0.41343%0.434SS..  trans-72.8144.117459.30000111.7S50 I51 I52S48-S50 PolarHBondContact O-N 3.27Å; S48-S50 PolarHBondContact OG-OG 3.35Å; S48-I51 WeakPolarHBondContact O-CB 3.31Å; S48-I51 PolarHBondContact O-N 3.5Å; S48-I51 VanDerWaalsContact OG-CD1 3.27Å; S48-I51 WeakPolarHBondContact OG-CD1 3.35Å; S48-I51 WeakPolarHBondContact OG-CG1 3.37Å; S48-I52 PolarHBondContact O-N 3.32Å
49D69.4Low72.8Confident59 Ų5975.4 Ų75.432%0.31643%0.425SS..Hα-helixtrans-48.7-38.2179.7-66.8-11000113.6I51 I52 L53D49-I51 VanDerWaalsContact C-N 3.34Å; D49-I51 PolarHBondContact O-N 3.31Å; D49-I52 PolarHBondContact O-N 3.03Å; D49-L53 WeakPolarHBondContact O-CB 3.24Å; D49-L53 WeakPolarHBondContact O-CG 3.42Å; D49-L53 PolarHBondContact O-N 2.79Å
50S73Confident72.1Confident81 Ų8174.8 Ų74.857%0.56641%0.413SS*.Hα-helixtrans-61.5-37.7178.757.10000113.5S48 S54S48-S50 PolarHBondContact O-N 3.27Å; S48-S50 PolarHBondContact OG-OG 3.35Å; S50-S54 WeakPolarHBondContact O-CB 3.42Å; S50-S54 PolarHBondContact O-N 2.78Å
51I77.5Confident71.7Confident102 Ų10275.2 Ų75.252%0.52342%0.416SS..Hα-helixtrans-71.5-43.6179.5-65.3172.4000109S48 D49 L53 S54 E55S48-I51 WeakPolarHBondContact O-CB 3.31Å; S48-I51 PolarHBondContact O-N 3.5Å; S48-I51 VanDerWaalsContact OG-CD1 3.27Å; S48-I51 WeakPolarHBondContact OG-CD1 3.35Å; S48-I51 WeakPolarHBondContact OG-CG1 3.37Å; D49-I51 VanDerWaalsContact C-N 3.34Å; D49-I51 PolarHBondContact O-N 3.31Å; I51-L53 PolarHBondContact O-N 3.24Å; I51-S54 PolarHBondContact O-N 3.36Å; I51-E55 WeakPolarHBondContact O-CB 3.5Å; I51-E55 PolarHBondContact O-N 2.92Å
52I72.9Confident71.6Confident20 Ų2077 Ų7710%0.10343%0.432CS..Hα-helixtrans-62-46.3179.4-58173.4000110.4L4 L22 L44 S48 D49 E55 L56L4-I52 HydrophobicContact CD1-CD1 4.26Å; L4-I52 HydrophobicContact CD2-CD1 4.03Å; L22-I52 HydrophobicContact CD2-CG2 3.61Å; L44-I52 HydrophobicContact CB-CD1 4.47Å; L44-I52 HydrophobicContact CD2-CD1 3.97Å; L44-I52 HydrophobicContact CD2-CG1 3.92Å; L44-I52 HydrophobicContact CD2-CG2 4.18Å; S48-I52 PolarHBondContact O-N 3.32Å; D49-I52 PolarHBondContact O-N 3.03Å; I52-E55 PolarHBondContact O-N 3.12Å; I52-L56 WeakPolarHBondContact O-CB 3.35Å; I52-L56 PolarHBondContact O-N 3.09Å
53L68.7Low70.8Confident91 Ų9178 Ų7848%0.47643%0.427SS..Hα-helixtrans-64.6-42.5178.1-75.1166.9000112.5F24 D49 I51 L56 S57F24-L53 HydrophobicContact CD1-CD2 3.59Å; F24-L53 HydrophobicContact CE1-CD2 3.33Å; F24-L53 HydrophobicContact CE1-CG 4.21Å; F24-L53 HydrophobicContact CZ-CD2 4.41Å; D49-L53 WeakPolarHBondContact O-CB 3.24Å; D49-L53 WeakPolarHBondContact O-CG 3.42Å; D49-L53 PolarHBondContact O-N 2.79Å; I51-L53 PolarHBondContact O-N 3.24Å; L53-L56 PolarHBondContact O-N 2.93Å; L53-S57 PolarHBondContact O-N 3.09Å
54S73.4Confident69.9Low82 Ų8280 Ų8057%0.57343%0.432SS*.Hα-helixtrans-62.3-44.9178-178.90000111.6S50 I51 S57 K58S50-S54 WeakPolarHBondContact O-CB 3.42Å; S50-S54 PolarHBondContact O-N 2.78Å; I51-S54 PolarHBondContact O-N 3.36Å; S54-S57 PolarHBondContact O-N 2.92Å; S54-K58 WeakPolarHBondContact O-CB 3.35Å; S54-K58 PolarHBondContact O-N 2.9Å; S54-K58 VanDerWaalsContact O-N 3.07Å
55E72.2Confident69.4Low87 Ų8782.5 Ų82.541%0.40746%0.456SS..Hα-helixtrans-67.3-39.5178.5-176.854.1-149.200111.1I51 I52 K58 Q59I51-E55 WeakPolarHBondContact O-CB 3.5Å; I51-E55 PolarHBondContact O-N 2.92Å; I52-E55 PolarHBondContact O-N 3.12Å; E55-K58 PolarHBondContact O-N 2.97Å; E55-Q59 WeakPolarHBondContact O-CG 3.5Å; E55-Q59 PolarHBondContact O-N 2.85Å; E55-Q59 PolarHBondContact OE1-NE2 3.41Å
56L67.5Low68.7Low26 Ų2683 Ų8314%0.13647%0.469CS..Hα-helixtrans-61.1-47.6175.1-163.392.2000112.1F24 V34 I52 L53 K58 Q59 M60F24-L56 HydrophobicContact CD2-CD2 3.93Å; F24-L56 HydrophobicContact CE1-CD2 4.21Å; F24-L56 HydrophobicContact CE2-CD1 3.79Å; F24-L56 HydrophobicContact CE2-CD2 3.42Å; F24-L56 VanDerWaalsContact CE2-CD2 3.42Å; F24-L56 HydrophobicContact CE2-CG 4.13Å; F24-L56 HydrophobicContact CG-CD2 4.47Å; F24-L56 HydrophobicContact CZ-CB 4.27Å; F24-L56 HydrophobicContact CZ-CD1 3.91Å; F24-L56 HydrophobicContact CZ-CD2 3.5Å; F24-L56 VanDerWaalsContact CZ-CD2 3.5Å; F24-L56 HydrophobicContact CZ-CG 4.06Å; V34-L56 HydrophobicContact CB-CD1 4.07Å; V34-L56 HydrophobicContact CG1-CD1 3.67Å; V34-L56 HydrophobicContact CG2-CD1 3.63Å; V34-L56 HydrophobicContact CG2-CD2 4.26Å; V34-L56 HydrophobicContact CG2-CG 4.48Å; I52-L56 WeakPolarHBondContact O-CB 3.35Å; I52-L56 PolarHBondContact O-N 3.09Å; L53-L56 PolarHBondContact O-N 2.93Å; L56-K58 VanDerWaalsContact C-N 3.31Å; L56-K58 PolarHBondContact O-N 3.47Å; L56-Q59 PolarHBondContact O-N 3.41Å; L56-M60 HydrophobicContact CD2-SD 3.9Å; L56-M60 HydrophobicContact CG-SD 4.42Å; L56-M60 WeakPolarHBondContact O-CG 3.45Å; L56-M60 PolarHBondContact O-N 2.86Å
57S66.4Low67.6Low62 Ų6285.5 Ų85.543%0.43447%0.467SS..Hα-helixtrans-57.5-48178.2-1680000110.2L53 S54 Q59 M60 D61L53-S57 PolarHBondContact O-N 3.09Å; S54-S57 PolarHBondContact O-N 2.92Å; S57-Q59 VanDerWaalsContact C-N 3.31Å; S57-Q59 PolarHBondContact O-N 3.44Å; S57-M60 WeakPolarHBondContact O-CB 3.34Å; S57-M60 PolarHBondContact O-N 3.49Å; S57-M60 VanDerWaalsContact O-N 3.11Å; S57-D61 WeakPolarHBondContact O-CB 3.37Å; S57-D61 PolarHBondContact O-N 3.44Å; S57-D61 VanDerWaalsContact O-OD2 3.13Å; S57-D61 PolarHBondContact OG-OD2 3.37Å
58K73.5Confident65.9Low140 Ų14087.9 Ų87.961%0.60949%0.49SS*.Hα-helixtrans-58.6-41.7178.2-172.3-178179.1-173.80112.3S54 E55 L56 A62S54-K58 WeakPolarHBondContact O-CB 3.35Å; S54-K58 PolarHBondContact O-N 2.9Å; S54-K58 VanDerWaalsContact O-N 3.07Å; E55-K58 PolarHBondContact O-N 2.97Å; L56-K58 VanDerWaalsContact C-N 3.31Å; L56-K58 PolarHBondContact O-N 3.47Å; K58-A62 VanDerWaalsContact O-CB 3.31Å; K58-A62 WeakPolarHBondContact O-CB 3.38Å; K58-A62 PolarHBondContact O-N 3.48Å
59Q65.3Low64.1Low89 Ų8994.6 Ų94.642%0.41651%0.514SS..Hα-helixtrans-68.5-38.6176.1-71.8-177.827.300112.7E55 L56 S57 R63E55-Q59 WeakPolarHBondContact O-CG 3.5Å; E55-Q59 PolarHBondContact O-N 2.85Å; E55-Q59 PolarHBondContact OE1-NE2 3.41Å; L56-Q59 PolarHBondContact O-N 3.41Å; S57-Q59 VanDerWaalsContact C-N 3.31Å; S57-Q59 PolarHBondContact O-N 3.44Å; Q59-R63 WeakPolarHBondContact O-CB 3.47Å; Q59-R63 WeakPolarHBondContact O-CG 3.3Å; Q59-R63 PolarHBondContact O-N 3.26Å
60M60.7Low62.9Low77 Ų77100 Ų10038%0.37954%0.538SS..Hα-helixtrans-63.5-47174.6-73.8-175.163.500110.9L56 S57 A62 R63 L64L56-M60 HydrophobicContact CD2-SD 3.9Å; L56-M60 HydrophobicContact CG-SD 4.42Å; L56-M60 WeakPolarHBondContact O-CG 3.45Å; L56-M60 PolarHBondContact O-N 2.86Å; S57-M60 WeakPolarHBondContact O-CB 3.34Å; S57-M60 PolarHBondContact O-N 3.49Å; S57-M60 VanDerWaalsContact O-N 3.11Å; M60-A62 PolarHBondContact O-N 2.92Å; M60-R63 PolarHBondContact O-N 3.28Å; M60-L64 WeakPolarHBondContact O-CB 3.39Å; M60-L64 VanDerWaalsContact O-CG 3.3Å; M60-L64 WeakPolarHBondContact O-CG 3.42Å; M60-L64 PolarHBondContact O-N 3.08Å
61D63.6Low61.2Low92 Ų92106.5 Ų106.549%0.49255%0.552SS.*Hα-helixtrans-61.9-44.5178.1-66.9-32.1000111.4S57 R63 L64 A65S57-D61 WeakPolarHBondContact O-CB 3.37Å; S57-D61 PolarHBondContact O-N 3.44Å; S57-D61 VanDerWaalsContact O-OD2 3.13Å; S57-D61 PolarHBondContact OG-OD2 3.37Å; D61-R63 VanDerWaalsContact C-N 3.31Å; D61-R63 PolarHBondContact O-N 2.98Å; D61-L64 PolarHBondContact O-N 3.43Å; D61-A65 WeakPolarHBondContact O-CB 3.35Å; D61-A65 PolarHBondContact O-N 3.5Å
62A67.7Low59.5Low52 Ų52104.5 Ų104.543%0.4356%0.556SS.*Hα-helixtrans-62.3-37.1175.800000112.6K58 M60 N66K58-A62 VanDerWaalsContact O-CB 3.31Å; K58-A62 WeakPolarHBondContact O-CB 3.38Å; K58-A62 PolarHBondContact O-N 3.48Å; M60-A62 PolarHBondContact O-N 2.92Å; A62-N66 PolarHBondContact O-ND2 2.98Å; A62-N66 VanDerWaalsContact O-ND2 3.16Å
63R59.1Low58.3Low141 Ų141107.2 Ų107.253%0.53258%0.575SS.*Hα-helixtrans-72.7-33.2176-76.5-177.3178.9-169.72.5112.6Q59 M60 D61Q59-R63 WeakPolarHBondContact O-CB 3.47Å; Q59-R63 WeakPolarHBondContact O-CG 3.3Å; Q59-R63 PolarHBondContact O-N 3.26Å; M60-R63 PolarHBondContact O-N 3.28Å; D61-R63 VanDerWaalsContact C-N 3.31Å; D61-R63 PolarHBondContact O-N 2.98Å
64L59.1Low57.3Low112 Ų112111.1 Ų111.159%0.58660%0.595SS**Hα-helixtrans-72.4-37.9174.6-72.5169.6000111.4M60 D61 N66 K67M60-L64 WeakPolarHBondContact O-CB 3.39Å; M60-L64 VanDerWaalsContact O-CG 3.3Å; M60-L64 WeakPolarHBondContact O-CG 3.42Å; M60-L64 PolarHBondContact O-N 3.08Å; D61-L64 PolarHBondContact O-N 3.43Å; L64-N66 PolarHBondContact O-N 2.85Å; L64-K67 PolarHBondContact O-N 3.37Å; L64-K67 VanDerWaalsContact O-O 3.06Å
65A61.7Low56.4Low84 Ų84110.9 Ų110.969%0.69459%0.587SS**Hα-helixtrans-60.9-31178.200000113.3D61D61-A65 WeakPolarHBondContact O-CB 3.35Å; D61-A65 PolarHBondContact O-N 3.5Å
66N58.8Low55.5Low144 Ų144113.1 Ų113.177%0.7760%0.601SS**THydrogen-bonded Turntrans-87.8-6.1-178.7-71.1-36000114.5A62 L64A62-N66 PolarHBondContact O-ND2 2.98Å; A62-N66 VanDerWaalsContact O-ND2 3.16Å; L64-N66 PolarHBondContact O-N 2.85Å
67K53.1Low55.2Low153 Ų153116.6 Ų116.667%0.66563%0.625SS**SBendtrans-112.2120.4176.6-75.7-176.9176179.60108.8L64 Q69L64-K67 PolarHBondContact O-N 3.37Å; L64-K67 VanDerWaalsContact O-O 3.06Å; K67-Q69 PolarHBondContact O-N 3.37Å
68A42.3Very low55Low92 Ų92115.9 Ų115.976%0.7663%0.627SS**  trans-44.6136.8173.800000110.3E70A68-E70 PolarHBondContact O-N 3.23Å
69Q41Very low54.2Low200 Ų200110.5 Ų110.594%0.93561%0.607SS**  trans-64.256.8-171.1-159.4174.78.800112.8K67 Y71K67-Q69 PolarHBondContact O-N 3.37Å; Q69-Y71 PolarHBondContact O-N 3.29Å
70E43.8Very low54.1Low172 Ų172109.6 Ų109.680%0.80461%0.605SS**SBendtrans-88.190.8166.6-76.7-164.5154.400107.9A68A68-E70 PolarHBondContact O-N 3.23Å
71Y37.8Very low54.2Low219 Ų219107.5 Ų107.586%0.85959%0.593SS**  trans35.391.4164.4-59.5-82.6000114.8Q69Q69-Y71 PolarHBondContact O-N 3.29Å
72G41.8Very low54.4Low59 Ų59105.5 Ų105.561%0.60858%0.579SS**  trans-47.3134.316000000108.8L74G72-L74 PolarHBondContact O-N 3.1Å
73P46.9Very low54.1Low77 Ų77104.7 Ų104.750%0.557%0.569SS.*  trans-57.8121.9-177.416.3-21.2000107.4L75 P87P73-L75 HydrophobicContact CB-CD2 4.01Å; P73-L75 HydrophobicContact CG-CD2 3.77Å; P73-L75 VanDerWaalsContact O-CD2 3.3Å; P73-L75 WeakPolarHBondContact O-CD2 3.4Å; P73-L75 WeakPolarHBondContact O-CG 3.38Å; P73-L75 PolarHBondContact O-N 3.4Å; P73-P87 HydrophobicContact CG-CG 4.1Å
74L47.9Very low54.1Low174 Ų174101.6 Ų101.691%0.91158%0.581SS**  trans-55.896.4161.6-77.5163.8000105.4G72 L76G72-L74 PolarHBondContact O-N 3.1Å; L74-L76 PolarHBondContact O-N 3.36Å; L74-L76 VanDerWaalsContact O-N 3.11Å
75L53.8Low53.6Low77 Ų7798.8 Ų98.840%0.40357%0.571SS.*  trans-66.2114.2-179-47.3179.8000105.3P73 F81P73-L75 HydrophobicContact CB-CD2 4.01Å; P73-L75 HydrophobicContact CG-CD2 3.77Å; P73-L75 VanDerWaalsContact O-CD2 3.3Å; P73-L75 WeakPolarHBondContact O-CD2 3.4Å; P73-L75 WeakPolarHBondContact O-CG 3.38Å; P73-L75 PolarHBondContact O-N 3.4Å; L75-F81 HydrophobicContact CB-CE2 4.09Å; L75-F81 HydrophobicContact CB-CZ 4.04Å; L75-F81 HydrophobicContact CD1-CE2 4.09Å; L75-F81 HydrophobicContact CD1-CZ 4.48Å; L75-F81 HydrophobicContact CD2-CD1 4.23Å; L75-F81 HydrophobicContact CD2-CD2 4.32Å; L75-F81 HydrophobicContact CD2-CE1 3.49Å; L75-F81 VanDerWaalsContact CD2-CE1 3.49Å; L75-F81 HydrophobicContact CD2-CE2 3.56Å; L75-F81 HydrophobicContact CD2-CZ 3.13Å; L75-F81 HydrophobicContact CG-CE2 4.1Å; L75-F81 HydrophobicContact CG-CZ 4.02Å
76L54.3Low52.8Low134 Ų13499.6 Ų99.670%0.70256%0.564SS**  trans-67.5140.8171.5-69.6169.2000107.7C30 L74 G78 S79C30-L76 PolarHBondContact SG-O 3.21Å; C30-L76 VanDerWaalsContact SG-O 3.38Å; L74-L76 PolarHBondContact O-N 3.36Å; L74-L76 VanDerWaalsContact O-N 3.11Å; L76-G78 PolarHBondContact O-N 3.5Å; L76-S79 VanDerWaalsContact O-CB 3.29Å; L76-S79 WeakPolarHBondContact O-CB 3.46Å; L76-S79 PolarHBondContact O-N 3.04Å; L76-S79 PolarHBondContact O-OG 3.44Å
77P61.1Low52Low99 Ų9995.4 Ų95.464%0.64354%0.544SS*.THydrogen-bonded Turntrans-48.6134.2173-28.735.2000111.6D28D28-P77 HydrophobicContact CB-CB 4.21Å; D28-P77 HydrophobicContact CB-CG 4.36Å; D28-P77 CarbonylContact O-C 3.46Å; D28-P77 WeakPolarHBondContact O-CA 3.3Å; D28-P77 VanDerWaalsContact O-CB 3.31Å; D28-P77 WeakPolarHBondContact O-CB 3.47Å
78G61.4Low51.5Low46 Ų4695.5 Ų95.547%0.47454%0.541SS..THydrogen-bonded Turntrans85.49.6-178.100000116.2D28 D29 L76D28-G78 PolarHBondContact O-N 3.08Å; D29-G78 CarbonylContact O-C 3.47Å; D29-G78 VanDerWaalsContact O-CA 3.22Å; D29-G78 WeakPolarHBondContact O-CA 3.3Å; L76-G78 PolarHBondContact O-N 3.5Å
79S57.4Low51.3Low27 Ų2794.9 Ų94.919%0.18953%0.528CS..  trans-84.7142.7-176.747.30000113.4C30 I31 L76 F81C30-S79 CarbonylContact C-O 3.51Å; C30-S79 VanDerWaalsContact CA-O 3.23Å; C30-S79 WeakPolarHBondContact CA-O 3.25Å; I31-S79 PolarHBondContact N-O 3.26Å; L76-S79 VanDerWaalsContact O-CB 3.29Å; L76-S79 WeakPolarHBondContact O-CB 3.46Å; L76-S79 PolarHBondContact O-N 3.04Å; L76-S79 PolarHBondContact O-OG 3.44Å; S79-F81 VanDerWaalsContact CB-CE2 3.43Å; S79-F81 VanDerWaalsContact CB-CZ 3.47Å; S79-F81 WeakPolarHBondContact O-CE2 3.46Å; S79-F81 WeakPolarHBondContact OG-CE2 3.49Å; S79-F81 WeakPolarHBondContact OG-CZ 3.5Å
80I63.4Low51.2Low71 Ų7195.2 Ų95.236%0.36452%0.521SS..EExtended strand (participates in β ladder)trans-108.7130-177-54.1171.2000110I31 Y82I31-I80 HydrophobicContact CB-CG1 4.16Å; I31-I80 HydrophobicContact CB-CG2 4.35Å; I31-I80 HydrophobicContact CD1-CG1 4.33Å; I31-I80 HydrophobicContact CG2-CG2 4.46Å; I31-I80 CarbonylContact O-C 3.58Å; I31-I80 VanDerWaalsContact O-CA 3.29Å; I31-I80 WeakPolarHBondContact O-CA 3.49Å; I80-Y82 HydrophobicContact CG2-CE2 4.07Å; I80-Y82 WeakPolarHBondContact CG2-OH 3.45Å
81F63.3Low50.9Low32 Ų3292.5 Ų92.514%0.1450%0.504CS..EExtended strand (participates in β ladder)trans-129.9150.6-175.1-58-86.3000111.6I31 V32 H33 L75 S79 P87I31-F81 PolarHBondContact O-N 3.38Å; V32-F81 CarbonylContact C-O 3.52Å; V32-F81 WeakPolarHBondContact CA-O 3.47Å; V32-F81 HydrophobicContact CG2-CB 4.35Å; V32-F81 HydrophobicContact CG2-CD2 4.32Å; H33-F81 PolarHBondContact N-O 2.72Å; L75-F81 HydrophobicContact CB-CE2 4.09Å; L75-F81 HydrophobicContact CB-CZ 4.04Å; L75-F81 HydrophobicContact CD1-CE2 4.09Å; L75-F81 HydrophobicContact CD1-CZ 4.48Å; L75-F81 HydrophobicContact CD2-CD1 4.23Å; L75-F81 HydrophobicContact CD2-CD2 4.32Å; L75-F81 HydrophobicContact CD2-CE1 3.49Å; L75-F81 VanDerWaalsContact CD2-CE1 3.49Å; L75-F81 HydrophobicContact CD2-CE2 3.56Å; L75-F81 HydrophobicContact CD2-CZ 3.13Å; L75-F81 HydrophobicContact CG-CE2 4.1Å; L75-F81 HydrophobicContact CG-CZ 4.02Å; S79-F81 VanDerWaalsContact CB-CE2 3.43Å; S79-F81 VanDerWaalsContact CB-CZ 3.47Å; S79-F81 WeakPolarHBondContact O-CE2 3.46Å; S79-F81 WeakPolarHBondContact OG-CE2 3.49Å; S79-F81 WeakPolarHBondContact OG-CZ 3.5Å; F81-P87 HydrophobicContact CD1-CB 3.69Å; F81-P87 HydrophobicContact CD1-CG 4.11Å; F81-P87 HydrophobicContact CE1-CB 3.71Å; F81-P87 HydrophobicContact CE1-CG 4.19Å
82Y65.9Low50.6Low50 Ų5091.3 Ų91.320%0.19650%0.503CS..EExtended strand (participates in β ladder)trans-120.4122.6168-52.5-93.3000109W11 F21 H33 I80 G84 S85W11-Y82 HydrophobicContact CE3-CD1 4.24Å; W11-Y82 AromaticContact CE3-CE1 3.63Å; W11-Y82 HydrophobicContact CE3-CE1 3.63Å; W11-Y82 AromaticContact CH2-CD1 3.37Å; W11-Y82 HydrophobicContact CH2-CD1 3.37Å; W11-Y82 AromaticContact CH2-CD2 3.98Å; W11-Y82 HydrophobicContact CH2-CD2 3.98Å; W11-Y82 AromaticContact CH2-CE1 2.92Å; W11-Y82 HydrophobicContact CH2-CE1 2.92Å; W11-Y82 AromaticContact CH2-CE2 3.53Å; W11-Y82 HydrophobicContact CH2-CE2 3.53Å; W11-Y82 AromaticContact CH2-CG 3.94Å; W11-Y82 HydrophobicContact CH2-CG 3.94Å; W11-Y82 AromaticContact CH2-CZ 3.01Å; W11-Y82 WeakPolarHBondContact CH2-OH 3.31Å; W11-Y82 AromaticContact CZ2-CD1 3.83Å; W11-Y82 HydrophobicContact CZ2-CD1 3.83Å; W11-Y82 AromaticContact CZ2-CE1 3.83Å; W11-Y82 HydrophobicContact CZ2-CE1 3.83Å; W11-Y82 HydrophobicContact CZ2-CE2 4.49Å; W11-Y82 HydrophobicContact CZ2-CG 4.29Å; W11-Y82 AromaticContact CZ3-CD1 3.64Å; W11-Y82 HydrophobicContact CZ3-CD1 3.64Å; W11-Y82 AromaticContact CZ3-CE1 2.81Å; W11-Y82 HydrophobicContact CZ3-CE1 2.81Å; W11-Y82 HydrophobicContact CZ3-CE2 4.09Å; W11-Y82 AromaticContact CZ3-CZ 3.11Å; W11-Y82 WeakPolarHBondContact CZ3-OH 3.05Å; F21-Y82 HydrophobicContact CD1-CD1 4.29Å; F21-Y82 HydrophobicContact CE1-CD1 4.14Å; H33-Y82 HydrophobicContact CB-CD1 3.27Å; H33-Y82 HydrophobicContact CB-CE1 3.36Å; H33-Y82 HydrophobicContact CB-CG 4.18Å; H33-Y82 AromaticContact CD2-CD1 3.78Å; H33-Y82 AromaticContact CD2-CE1 2.99Å; H33-Y82 WeakPolarHBondContact CD2-CE1 3.33Å; H33-Y82 AromaticContact CD2-CZ 3.28Å; H33-Y82 PolarHBondContact CD2-OH 2.74Å; H33-Y82 AromaticContact CG-CD1 3.76Å; H33-Y82 AromaticContact CG-CE1 3.26Å; H33-Y82 AromaticContact NE2-CE1 3.79Å; H33-Y82 AromaticContact NE2-CZ 3.85Å; H33-Y82 PolarHBondContact NE2-OH 3.25Å; H33-Y82 CarbonylContact O-C 3.58Å; H33-Y82 VanDerWaalsContact O-CA 3.31Å; H33-Y82 WeakPolarHBondContact O-CA 3.32Å; I80-Y82 HydrophobicContact CG2-CE2 4.07Å; I80-Y82 WeakPolarHBondContact CG2-OH 3.45Å; Y82-G84 PolarHBondContact O-N 2.87Å; Y82-G84 VanDerWaalsContact O-N 3.15Å; Y82-S85 VanDerWaalsContact CB-OG 3.29Å; Y82-S85 WeakPolarHBondContact CB-OG 3.29Å; Y82-S85 PolarHBondContact O-N 3.49Å; Y82-S85 PolarHBondContact O-OG 3.04Å
83V63.3Low50.1Low35 Ų3593.2 Ų93.221%0.21250%0.503CS..THydrogen-bonded Turntrans-65.3113.7176.51740000108.6V32 H33 V34 P35V32-V83 HydrophobicContact CG1-CG2 3.54Å; H33-V83 PolarHBondContact O-N 3.31Å; V34-V83 HydrophobicContact CG2-CB 4.12Å; V34-V83 HydrophobicContact CG2-CG2 3.7Å; P35-V83 VanDerWaalsContact CD-O 3.25Å; P35-V83 WeakPolarHBondContact CD-O 3.25Å
84G58.3Low49.4Very low77 Ų7795 Ų9579%0.79451%0.508SS*.THydrogen-bonded Turntrans109.2-16-171.900000113.7Y82Y82-G84 PolarHBondContact O-N 2.87Å; Y82-G84 VanDerWaalsContact O-N 3.15Å
85S49.2Very low48.7Very low53 Ų5393.7 Ų93.737%0.37150%0.501SS..SBendtrans-95.3133.5165.976.50000109.9Y82 P87Y82-S85 VanDerWaalsContact CB-OG 3.29Å; Y82-S85 WeakPolarHBondContact CB-OG 3.29Å; Y82-S85 PolarHBondContact O-N 3.49Å; Y82-S85 PolarHBondContact O-OG 3.04Å; S85-P87 WeakPolarHBondContact O-CD 3.44Å
86N43.2Very low47.6Very low100 Ų10098.8 Ų98.854%0.53552%0.516SS..  trans-64.1123.9163.1-93.9-24.2000107.4R88N86-R88 PolarHBondContact O-N 3.15Å
87P43Very low46.6Very low56 Ų5699.6 Ų99.636%0.36452%0.516SS..  trans-53.5114.6-177.74.2-13.3000110.7P73 F81 S85 P89P73-P87 HydrophobicContact CG-CG 4.1Å; F81-P87 HydrophobicContact CD1-CB 3.69Å; F81-P87 HydrophobicContact CD1-CG 4.11Å; F81-P87 HydrophobicContact CE1-CB 3.71Å; F81-P87 HydrophobicContact CE1-CG 4.19Å; S85-P87 WeakPolarHBondContact O-CD 3.44Å; P87-P89 VanDerWaalsContact O-CD 3.28Å; P87-P89 WeakPolarHBondContact O-CD 3.46Å
88R42.7Very low45Very low156 Ų156102.7 Ų102.759%0.58952%0.522SS*.  trans-72.7119.2167.8-69.2-170.3-177.7-156.9-0.3106.9N86 R90 D132N86-R88 PolarHBondContact O-N 3.15Å; R88-R90 PolarHBondContact O-N 3.35Å; R88-D132 IonicContact NH2-OD1 3.28Å; R88-D132 PolarHBondContact NH2-OD1 3.46Å
89P37.1Very low43.6Very low78 Ų78107.4 Ų107.451%0.50654%0.536SS..  trans-64.4111.7164.319.7-19.4000107.5P87 R91P87-P89 VanDerWaalsContact O-CD 3.28Å; P87-P89 WeakPolarHBondContact O-CD 3.46Å; P89-R91 PolarHBondContact O-N 3.12Å
90R40.4Very low42.2Very low208 Ų208111 Ų11179%0.78556%0.56SS**  trans-56.9130.9173.4-76.8-173.1-177-119.32.8108.9R88 K92R88-R90 PolarHBondContact O-N 3.35Å; R90-K92 PolarHBondContact O-N 3.46Å
91R37Very low40.7Very low115 Ų115118.3 Ų118.343%0.43459%0.585SS.*  trans-57.8130.3-176.4-70.9176.7175.1138.8-1.1111P89 V93 E124 R166 M167P89-R91 PolarHBondContact O-N 3.12Å; R91-V93 HydrophobicContact CB-CG2 4.24Å; R91-E124 IonicContact CZ-OE1 2.69Å; R91-E124 IonicContact NH1-OE1 3.27Å; R91-E124 PolarHBondContact NH1-OE1 3.01Å; R91-E124 IonicContact NH2-OE1 2.63Å; R91-R166 PolarHBondContact NE-O 3.1Å; R91-R166 VanDerWaalsContact NE-O 3.13Å; R91-M167 VanDerWaalsContact NH2-CG 3.28Å
92K31.1Very low38.9Very low194 Ų194120.5 Ų120.584%0.84362%0.617SS**  trans-83.9102.7135.2-83.5-173.4177.8177.80106.1R90 N94R90-K92 PolarHBondContact O-N 3.46Å; K92-N94 PolarHBondContact O-N 2.92Å
93V32.5Very low37.3Very low99 Ų99127 Ų12760%0.665%0.649SS**  trans-58.7111.8160.9-179.40000105.4R91 L95R91-V93 HydrophobicContact CB-CG2 4.24Å; V93-L95 HydrophobicContact CG1-CD1 3.84Å; V93-L95 PolarHBondContact O-N 3.33Å
94N31Very low35.5Very low113 Ų113135.6 Ų135.660%0.60468%0.683SS**  trans-69.186171.3-89.3-43.1000107.8K92 Y96K92-N94 PolarHBondContact O-N 2.92Å; N94-Y96 PolarHBondContact O-N 3.46Å
95L32.6Very low34.3Very low148 Ų148137.5 Ų137.578%0.77568%0.679SS**  trans-73.334174-133.1100.7000112.3V93V93-L95 HydrophobicContact CG1-CD1 3.84Å; V93-L95 PolarHBondContact O-N 3.33Å
96Y30.7Very low33.2Very low184 Ų184142.1 Ų142.172%0.72270%0.7SS**  trans-120.259.7-175.2-57.6-65.9000111.9N94N94-Y96 PolarHBondContact O-N 3.46Å
97H33Very low32.8Very low151 Ų151147.7 Ų147.770%0.69972%0.715SS**  trans-132.375.5149.2-158.9-79.2000108.3L99H97-L99 VanDerWaalsContact C-N 3.29Å; H97-L99 PolarHBondContact O-N 3.01Å
98E29.1Very low32Very low163 Ų163148.1 Ų148.176%0.76273%0.729SS**  trans-49102.7153.4-78.8171.314900107.2S100E98-S100 PolarHBondContact O-N 3.33Å
99L32.4Very low31.4Very low146 Ų146149.4 Ų149.476%0.76474%0.742SS**  trans-67.682.3168.4-73.8160.2000107.5H97 Y101H97-L99 VanDerWaalsContact C-N 3.29Å; H97-L99 PolarHBondContact O-N 3.01Å; L99-Y101 PolarHBondContact O-N 3.01Å
100S27.4Very low31Very low101 Ų101153.2 Ų153.271%0.70676%0.758SS**  trans-84.871.5159.477.90000108.7E98E98-S100 PolarHBondContact O-N 3.33Å
101Y31.7Very low30.5Very low225 Ų225151 Ų15188%0.88276%0.761SS**  trans-147.9102.1153.3-97.1-78.5000106.6L99 Q103L99-Y101 PolarHBondContact O-N 3.01Å; Y101-Q103 PolarHBondContact O-N 3.39Å
102G25.3Very low30.2Very low79 Ų79153.1 Ų153.181%0.81478%0.776SS**  trans-66.1127.3175.900000110.5
103Q31.6Very low30.2Very low186 Ų186150.3 Ų150.387%0.86978%0.775SS**  trans-148.7109.1147.2-110.2171.9-15.300106.3Y101 V105Y101-Q103 PolarHBondContact O-N 3.39Å; Q103-V105 PolarHBondContact O-N 2.97Å
104K26.7Very low30.2Very low215 Ų215152.1 Ų152.194%0.93579%0.787SS**  trans-62.6124.4170.5-69.4-179.6173.7-177.10107.7
105V32Very low30.3Very low117 Ų117150 Ų15071%0.70979%0.791SS**  trans-136.3107.6156.2-149.80000107.5Q103 Y107Q103-V105 PolarHBondContact O-N 2.97Å; V105-Y107 HydrophobicContact CG1-CD2 4.2Å; V105-Y107 HydrophobicContact CG1-CE2 3.78Å
106N27.5Very low31Very low151 Ų151144.7 Ų144.781%0.80777%0.772SS**  trans-67.9129.4167-100.8-20.9000108.6
107Y33.8Very low32.2Very low217 Ų217139.4 Ų139.485%0.85176%0.76SS**  trans-144.8105143.3-76.3-72.2000108V105V105-Y107 HydrophobicContact CG1-CD2 4.2Å; V105-Y107 HydrophobicContact CG1-CE2 3.78Å
108G26.7Very low33.6Very low64 Ų64137.7 Ų137.766%0.6676%0.756SS**  trans-72.1167.6162.500000110.7
109E29Very low35.9Very low184 Ų184133.4 Ų133.486%0.8674%0.739SS**  trans5999.4160.7-62.3179.316600115.7
110N30.3Very low38.2Very low158 Ų158132 Ų13285%0.84573%0.732SS**  179.6122.4118.6-92.4-60.5000110.4
111L29.6Very low40.9Very low162 Ų162132 Ų13285%0.84873%0.727SS**  trans-98.576.9-175.3-167.488.4000109
112H30.8Very low43.5Very low158 Ų158124.1 Ų124.173%0.73170%0.698SS**  trans-149.298.3168.9-72.2-61.1000112.6T114H112-T114 PolarHBondContact O-N 3.32Å
113T30.5Very low46.5Very low135 Ų135120.4 Ų120.483%0.82866%0.659SS**  trans3877.9141.351.50000119.3
114T32.8Very low49.2Very low138 Ų138115.9 Ų115.985%0.84764%0.638SS**  trans-156.895.616243.70000111.9H112 G116H112-T114 PolarHBondContact O-N 3.32Å; T114-G116 PolarHBondContact O-N 3.28Å
115G33.2Very low52.3Low67 Ų67112.9 Ų112.969%0.69163%0.625SS**  trans-79.3100.8178.600000111.8
116G47.1Very low55.2Low37 Ų37108 Ų10838%0.38160%0.595SS.*  trans-85.9164.9171.300000112.4T114 N118 D119T114-G116 PolarHBondContact O-N 3.28Å; G116-N118 PolarHBondContact O-N 3.5Å; G116-D119 PolarHBondContact O-N 3.36Å
117P56.3Low58.3Low73 Ų73100.9 Ų100.947%0.47456%0.557SS.*THydrogen-bonded Turntrans-64.46.5-173.527.3-36.7000115.6L175P117-L175 VanDerWaalsContact O-CD2 3.27Å; P117-L175 WeakPolarHBondContact O-CD2 3.29Å
118N61.1Low61Low115 Ų11592.2 Ų92.262%0.61553%0.528SS*.THydrogen-bonded Turntrans-98.2-2.6174.4-67.2-30.8000112.7G116 L120G116-N118 PolarHBondContact O-N 3.5Å; N118-L120 PolarHBondContact O-N 3.34Å
119D78.1Confident64.2Low74 Ų7491.9 Ų91.940%0.39651%0.513SS..  trans-70.6113175.1-1742.1000110.4G116 V121 E122 L123G116-D119 PolarHBondContact O-N 3.36Å; D119-V121 PolarHBondContact O-N 3.5Å; D119-V121 PolarHBondContact OD1-N 2.78Å; D119-E122 HydrophobicContact CB-CB 4.11Å; D119-E122 WeakPolarHBondContact O-CB 3.31Å; D119-E122 PolarHBondContact O-N 3.34Å; D119-E122 VanDerWaalsContact O-N 3.09Å; D119-L123 WeakPolarHBondContact O-CG 3.32Å; D119-L123 PolarHBondContact O-N 2.8Å; D119-L123 VanDerWaalsContact O-N 3.09Å
120L81.5Confident67.4Low117 Ų11783.1 Ų83.161%0.61347%0.472SS*.Hα-helixtrans-57.7-31.6-179.9-67.3175.1000112N118 L123 E124N118-L120 PolarHBondContact O-N 3.34Å; L120-L123 HydrophobicContact CD2-CD1 4.5Å; L120-L123 PolarHBondContact O-N 3.34Å; L120-E124 PolarHBondContact O-N 3.38Å
121V83.8Confident70.4Confident101 Ų10176.2 Ų76.261%0.61244%0.436SS*.Hα-helixtrans-66.8-43178.1-179.20000110.5D119 E124 K125D119-V121 PolarHBondContact O-N 3.5Å; D119-V121 PolarHBondContact OD1-N 2.78Å; V121-E124 PolarHBondContact O-N 3.04Å; V121-K125 WeakPolarHBondContact O-CB 3.43Å; V121-K125 PolarHBondContact O-N 2.9Å
122E85.3Confident73.4Confident58 Ų5872.5 Ų72.527%0.27142%0.417SS..Hα-helixtrans-64-42.5176.4-162.2-159144.400111.2D119 E124 K125 L126 Y178D119-E122 HydrophobicContact CB-CB 4.11Å; D119-E122 WeakPolarHBondContact O-CB 3.31Å; D119-E122 PolarHBondContact O-N 3.34Å; D119-E122 VanDerWaalsContact O-N 3.09Å; E122-E124 PolarHBondContact O-N 3.26Å; E122-K125 PolarHBondContact O-N 3.22Å; E122-L126 WeakPolarHBondContact O-CB 3.36Å; E122-L126 PolarHBondContact O-N 2.94Å; E122-Y178 PolarHBondContact OE1-OH 3.15Å
123L88.9Confident76.3Confident1 Ų169.1 Ų69.11%0.00540%0.398CS..Hα-helixtrans-64-40.5178.5-59.6-179.9000112D119 L120 L126 S127 M167 L171 Y174 L175 Y178D119-L123 WeakPolarHBondContact O-CG 3.32Å; D119-L123 PolarHBondContact O-N 2.8Å; D119-L123 VanDerWaalsContact O-N 3.09Å; L120-L123 HydrophobicContact CD2-CD1 4.5Å; L120-L123 PolarHBondContact O-N 3.34Å; L123-L126 PolarHBondContact O-N 2.69Å; L123-S127 PolarHBondContact O-N 3.22Å; L123-M167 HydrophobicContact CB-CE 3.86Å; L123-L171 HydrophobicContact CD1-CD1 3.56Å; L123-Y174 HydrophobicContact CB-CD1 4.45Å; L123-Y174 HydrophobicContact CB-CE1 3.82Å; L123-Y174 HydrophobicContact CD1-CD1 4.16Å; L123-Y174 HydrophobicContact CD1-CE1 4.33Å; L123-Y174 HydrophobicContact CD2-CD1 3.93Å; L123-Y174 HydrophobicContact CD2-CE1 3.62Å; L123-Y174 HydrophobicContact CG-CD1 4.41Å; L123-Y174 HydrophobicContact CG-CE1 4.11Å; L123-Y174 PolarHBondContact O-OH 3.02Å; L123-L175 HydrophobicContact CD1-CD2 4.48Å; L123-L175 HydrophobicContact CD2-CD2 4.16Å; L123-Y178 HydrophobicContact CD2-CD2 3.55Å; L123-Y178 HydrophobicContact CD2-CE2 3.7Å
124E89.1Confident79.3Confident91 Ų9163.5 Ų63.543%0.42536%0.361SS..Hα-helixtrans-67-42.3176.1178.7160.4-139.600112.1R91 L120 V121 E122 L126 S127 S128R91-E124 IonicContact CZ-OE1 2.69Å; R91-E124 IonicContact NH1-OE1 3.27Å; R91-E124 PolarHBondContact NH1-OE1 3.01Å; R91-E124 IonicContact NH2-OE1 2.63Å; L120-E124 PolarHBondContact O-N 3.38Å; V121-E124 PolarHBondContact O-N 3.04Å; E122-E124 PolarHBondContact O-N 3.26Å; E124-L126 VanDerWaalsContact C-N 3.31Å; E124-L126 PolarHBondContact O-N 2.82Å; E124-S127 PolarHBondContact O-N 2.83Å; E124-S128 WeakPolarHBondContact O-CB 3.38Å; E124-S128 PolarHBondContact O-N 2.75Å; E124-S128 PolarHBondContact O-OG 3.21Å
125K90.4Very high81.9Confident153 Ų15360 Ų6067%0.66534%0.337SS*.Hα-helixtrans-60.1-41.7174.1-175.1179.8179.5-178.40111.5V121 E122 S128 T129V121-K125 WeakPolarHBondContact O-CB 3.43Å; V121-K125 PolarHBondContact O-N 2.9Å; E122-K125 PolarHBondContact O-N 3.22Å; K125-S128 PolarHBondContact O-N 3.03Å; K125-T129 WeakPolarHBondContact O-CB 3.15Å; K125-T129 PolarHBondContact O-N 3Å; K125-T129 PolarHBondContact O-OG1 3.49Å
126L92.8Very high84.5Confident14 Ų1459.9 Ų59.97%0.07334%0.336CS..Hα-helixtrans-65.5-45.9177.4-173.7149.8000111.5E122 L123 E124 S128 T129 F130 F164 Y178 I181 L182 L185E122-L126 WeakPolarHBondContact O-CB 3.36Å; E122-L126 PolarHBondContact O-N 2.94Å; L123-L126 PolarHBondContact O-N 2.69Å; E124-L126 VanDerWaalsContact C-N 3.31Å; E124-L126 PolarHBondContact O-N 2.82Å; L126-S128 VanDerWaalsContact C-N 3.28Å; L126-S128 PolarHBondContact O-N 3.5Å; L126-T129 PolarHBondContact O-N 3.39Å; L126-F130 VanDerWaalsContact O-CB 3.27Å; L126-F130 WeakPolarHBondContact O-CB 3Å; L126-F130 PolarHBondContact O-N 3.43Å; L126-F164 HydrophobicContact CD2-CE1 4.08Å; L126-F164 HydrophobicContact CD2-CZ 3.53Å; L126-Y178 HydrophobicContact CD1-CD2 3.82Å; L126-Y178 HydrophobicContact CD1-CE1 4.44Å; L126-Y178 HydrophobicContact CD1-CE2 3.4Å; L126-Y178 VanDerWaalsContact CD1-CE2 3.4Å; L126-Y178 HydrophobicContact CG-CE2 4.49Å; L126-I181 HydrophobicContact CD2-CB 4.45Å; L126-I181 HydrophobicContact CD2-CG2 3.85Å; L126-L182 HydrophobicContact CD1-CB 4.21Å; L126-L182 HydrophobicContact CD1-CD1 3.92Å; L126-L185 HydrophobicContact CG-CD1 4.23Å
127S92.6Very high86.3Confident1 Ų159.6 Ų59.61%0.00733%0.325CS..Hα-helixtrans-59.4-40.3176.3-95.90000112.5L123 E124 T131 F164 M167 Y174L123-S127 PolarHBondContact O-N 3.22Å; E124-S127 PolarHBondContact O-N 2.83Å; S127-T131 WeakPolarHBondContact O-CB 3.45Å; S127-T131 PolarHBondContact O-N 3.07Å; S127-T131 PolarHBondContact O-OG1 3.11Å; S127-F164 PolarHBondContact OG-O 2.64Å; S127-M167 PolarHBondContact OG-SD 3.05Å; S127-Y174 WeakPolarHBondContact CB-OH 3.48Å; S127-Y174 PolarHBondContact OG-OH 3.26Å
128S91.9Very high87.7Confident35 Ų3563 Ų6325%0.24534%0.339CS..Hα-helixtrans-68.1-51.4178.8-55.50000110.7E124 K125 L126 F130 T131 D132E124-S128 WeakPolarHBondContact O-CB 3.38Å; E124-S128 PolarHBondContact O-N 2.75Å; E124-S128 PolarHBondContact O-OG 3.21Å; K125-S128 PolarHBondContact O-N 3.03Å; L126-S128 VanDerWaalsContact C-N 3.28Å; L126-S128 PolarHBondContact O-N 3.5Å; S128-F130 VanDerWaalsContact C-N 3.29Å; S128-F130 PolarHBondContact O-N 3.36Å; S128-T131 WeakPolarHBondContact O-CB 3.45Å; S128-T131 PolarHBondContact O-N 3.33Å; S128-D132 VanDerWaalsContact O-CG 3.23Å; S128-D132 PolarHBondContact O-N 3.11Å
129T94Very high88.8Confident57 Ų5758.3 Ų58.335%0.3531%0.314SS..Hα-helixtrans-54.9-43.6175.1-53.10000112.1K125 L126 D132 R133 L185K125-T129 WeakPolarHBondContact O-CB 3.15Å; K125-T129 PolarHBondContact O-N 3Å; K125-T129 PolarHBondContact O-OG1 3.49Å; L126-T129 PolarHBondContact O-N 3.39Å; T129-D132 PolarHBondContact O-N 3.41Å; T129-R133 WeakPolarHBondContact O-CB 3.38Å; T129-R133 PolarHBondContact O-N 3.27Å; T129-L185 HydrophobicContact CG2-CD1 4.3Å; T129-L185 HydrophobicContact CG2-CD2 4.26Å
130F95.5Very high89.4Confident0 Ų057 Ų570%031%0.31CS..Hα-helixtrans-60.4-47.1175.7172.1-105.7000112.2L126 S128 R134 V144 I161 F164 E165 I181 W184 L185L126-F130 VanDerWaalsContact O-CB 3.27Å; L126-F130 WeakPolarHBondContact O-CB 3Å; L126-F130 PolarHBondContact O-N 3.43Å; S128-F130 VanDerWaalsContact C-N 3.29Å; S128-F130 PolarHBondContact O-N 3.36Å; F130-R134 WeakPolarHBondContact O-CB 3.22Å; F130-R134 PolarHBondContact O-N 3.44Å; F130-V144 HydrophobicContact CE2-CG1 4.07Å; F130-V144 HydrophobicContact CZ-CG1 3.82Å; F130-I161 HydrophobicContact CE1-CG2 4.05Å; F130-I161 HydrophobicContact CZ-CG2 4.15Å; F130-F164 HydrophobicContact CB-CE1 4.33Å; F130-F164 AromaticContact CD1-CD1 3.8Å; F130-F164 HydrophobicContact CD1-CD1 3.8Å; F130-F164 AromaticContact CD1-CE1 3.81Å; F130-F164 HydrophobicContact CD1-CE1 3.81Å; F130-F164 HydrophobicContact CE1-CD1 4Å; F130-F164 HydrophobicContact CE1-CE1 4.36Å; F130-F164 HydrophobicContact CG-CE1 4.12Å; F130-E165 HydrophobicContact CD1-CG 3.96Å; F130-E165 HydrophobicContact CE1-CG 3.82Å; F130-I181 HydrophobicContact CB-CG2 3.95Å; F130-I181 HydrophobicContact CD1-CG2 4.39Å; F130-I181 HydrophobicContact CD2-CD1 4.42Å; F130-I181 HydrophobicContact CD2-CG2 3.38Å; F130-I181 HydrophobicContact CE2-CD1 3.86Å; F130-I181 HydrophobicContact CE2-CG2 3.91Å; F130-I181 HydrophobicContact CG-CG2 3.63Å; F130-I181 HydrophobicContact CZ-CD1 3.91Å; F130-W184 AromaticContact CD2-CE3 3.59Å; F130-W184 HydrophobicContact CD2-CE3 3.59Å; F130-W184 AromaticContact CD2-CZ3 3.62Å; F130-W184 HydrophobicContact CD2-CZ3 3.62Å; F130-W184 HydrophobicContact CE2-CD2 4.09Å; F130-W184 AromaticContact CE2-CE3 3.48Å; F130-W184 HydrophobicContact CE2-CE3 3.48Å; F130-W184 VanDerWaalsContact CE2-CE3 3.48Å; F130-W184 HydrophobicContact CE2-CH2 4.31Å; F130-W184 AromaticContact CE2-CZ3 3.6Å; F130-W184 HydrophobicContact CE2-CZ3 3.6Å; F130-L185 HydrophobicContact CB-CD1 4.07Å; F130-L185 HydrophobicContact CB-CD2 4.4Å; F130-L185 HydrophobicContact CB-CG 4.37Å; F130-L185 HydrophobicContact CD2-CG 4.34Å
131T93.9Very high89.9Confident13 Ų1353.6 Ų53.68%0.0829%0.291CS..Hα-helixtrans-63.5-46.5179.7-55.30000110.8S127 S128 R134 I135 E165S127-T131 WeakPolarHBondContact O-CB 3.45Å; S127-T131 PolarHBondContact O-N 3.07Å; S127-T131 PolarHBondContact O-OG1 3.11Å; S128-T131 WeakPolarHBondContact O-CB 3.45Å; S128-T131 PolarHBondContact O-N 3.33Å; T131-R134 PolarHBondContact O-N 3.08Å; T131-I135 HydrophobicContact CG2-CD1 3.85Å; T131-I135 VanDerWaalsContact O-CG1 3.28Å; T131-I135 WeakPolarHBondContact O-CG1 3.25Å; T131-I135 PolarHBondContact O-N 3.38Å; T131-E165 WeakPolarHBondContact OG1-CG 3.47Å
132D91.3Very high90.2Very high84 Ų8451.7 Ų51.745%0.44928%0.28SS..Hα-helixtrans-67.2-41.3-178.6-61.6-24.5000111.1R88 S128 T129 I135 G136R88-D132 IonicContact NH2-OD1 3.28Å; R88-D132 PolarHBondContact NH2-OD1 3.46Å; S128-D132 VanDerWaalsContact O-CG 3.23Å; S128-D132 PolarHBondContact O-N 3.11Å; T129-D132 PolarHBondContact O-N 3.41Å; D132-I135 PolarHBondContact O-N 3.32Å; D132-G136 PolarHBondContact O-N 2.59Å
133R92.1Very high90.5Very high88 Ų8850 Ų5033%0.33227%0.273SS..Hα-helixtrans-61.1-46.8174.3-179.670.672.5-161.21.1111.7T129 G136 M137 W184 L185 S188 E189T129-R133 WeakPolarHBondContact O-CB 3.38Å; T129-R133 PolarHBondContact O-N 3.27Å; R133-G136 PolarHBondContact O-N 3.17Å; R133-M137 HydrophobicContact CG-SD 4.28Å; R133-M137 WeakPolarHBondContact O-CG 3.47Å; R133-M137 PolarHBondContact O-N 3.3Å; R133-W184 HydrophobicContact CB-CZ3 4.41Å; R133-W184 HydrophobicContact CG-CH2 4.3Å; R133-W184 HydrophobicContact CG-CZ3 3.98Å; R133-L185 HydrophobicContact CB-CD2 3.68Å; R133-L185 HydrophobicContact CG-CD2 3.83Å; R133-S188 VanDerWaalsContact CD-OG 3.28Å; R133-S188 WeakPolarHBondContact CD-OG 3.42Å; R133-S188 VanDerWaalsContact CG-OG 3.22Å; R133-S188 WeakPolarHBondContact CG-OG 3.43Å; R133-S188 PolarHBondContact NE-OG 3.16Å; R133-E189 IonicContact NH2-OE1 3.02Å
134R93.2Very high90.6Very high16 Ų1650 Ų506%0.0627%0.273CS..Hα-helixtrans-59.6-48177.8180-174.260.873.2-3.8111.2F130 T131 M137 N138 L139 V144 E165 W184F130-R134 WeakPolarHBondContact O-CB 3.22Å; F130-R134 PolarHBondContact O-N 3.44Å; T131-R134 PolarHBondContact O-N 3.08Å; R134-M137 PolarHBondContact O-N 3.46Å; R134-N138 PolarHBondContact O-N 2.98Å; R134-L139 HydrophobicContact CG-CB 3.92Å; R134-L139 VanDerWaalsContact CG-O 3.28Å; R134-L139 WeakPolarHBondContact CG-O 3.27Å; R134-L139 PolarHBondContact NH1-O 3.14Å; R134-L139 PolarHBondContact O-N 3.02Å; R134-L139 VanDerWaalsContact O-N 3.09Å; R134-V144 HydrophobicContact CB-CG2 4.37Å; R134-V144 HydrophobicContact CG-CG2 3.51Å; R134-E165 IonicContact CZ-OE1 2.65Å; R134-E165 VanDerWaalsContact CZ-OE1 3.26Å; R134-E165 IonicContact NE-OE1 3.73Å; R134-E165 PolarHBondContact NE-OE1 3.39Å; R134-E165 IonicContact NH2-OE1 2.81Å; R134-E165 PolarHBondContact NH2-OE1 3.02Å; R134-E165 IonicContact NH2-OE2 3.86Å; R134-E165 PolarHBondContact NH2-OE2 3.22Å; R134-E165 VanDerWaalsContact NH2-OE2 3.1Å; R134-W184 HydrophobicContact CB-CH2 4.11Å
135I88.1Confident90.8Very high66 Ų6645.9 Ų45.934%0.33826%0.255SS..Hα-helixtrans-63.8-43.2179.3-67.8169.9000110.4T131 D132 M137 N138T131-I135 HydrophobicContact CG2-CD1 3.85Å; T131-I135 VanDerWaalsContact O-CG1 3.28Å; T131-I135 WeakPolarHBondContact O-CG1 3.25Å; T131-I135 PolarHBondContact O-N 3.38Å; D132-I135 PolarHBondContact O-N 3.32Å; I135-M137 PolarHBondContact O-N 2.82Å; I135-N138 WeakPolarHBondContact O-CA 3.23Å; I135-N138 PolarHBondContact O-N 3.24Å; I135-N138 PolarHBondContact O-OD1 2.85Å
136G86.7Confident90.7Very high64 Ų6440.4 Ų40.466%0.6623%0.233SC*.Hα-helixtrans-66.3-21.9177.700000114.5D132 R133 N138D132-G136 PolarHBondContact O-N 2.59Å; R133-G136 PolarHBondContact O-N 3.17Å; G136-N138 VanDerWaalsContact C-N 3.33Å
137M85.5Confident90.8Very high31 Ų3139.8 Ų39.815%0.15323%0.229CC..THydrogen-bonded Turntrans-89.33.2169.6-68-179.867.700113.2R133 R134 I135 L139 W184 R194 I197R133-M137 HydrophobicContact CG-SD 4.28Å; R133-M137 WeakPolarHBondContact O-CG 3.47Å; R133-M137 PolarHBondContact O-N 3.3Å; R134-M137 PolarHBondContact O-N 3.46Å; I135-M137 PolarHBondContact O-N 2.82Å; M137-L139 HydrophobicContact CB-CD1 4Å; M137-L139 HydrophobicContact CB-CG 3.88Å; M137-L139 HydrophobicContact CE-CD1 3.98Å; M137-L139 PolarHBondContact O-N 3.19Å; M137-L139 HydrophobicContact SD-CD1 4.35Å; M137-W184 HydrophobicContact SD-CH2 4.37Å; M137-R194 HydrophobicContact CE-CB 3.95Å; M137-R194 HydrophobicContact CE-CG 3.75Å; M137-R194 HydrophobicContact SD-CG 4.18Å; M137-I197 HydrophobicContact CE-CB 4.23Å; M137-I197 HydrophobicContact CE-CD1 4.29Å; M137-I197 HydrophobicContact CE-CG2 4.04Å
138N86.7Confident90.8Very high145 Ų14539.7 Ų39.778%0.77523%0.229SC*.THydrogen-bonded Turntrans55.932.8-176.3-6414.5000114.1R134 I135 G136R134-N138 PolarHBondContact O-N 2.98Å; I135-N138 WeakPolarHBondContact O-CA 3.23Å; I135-N138 PolarHBondContact O-N 3.24Å; I135-N138 PolarHBondContact O-OD1 2.85Å; G136-N138 VanDerWaalsContact C-N 3.33Å
139L84Confident90.7Very high15 Ų1538.4 Ų38.48%0.07922%0.221CC..  trans-93.6136.2-179.5-62.8178.4000111.6R134 M137 D143 V144 W184 I197 V201R134-L139 HydrophobicContact CG-CB 3.92Å; R134-L139 VanDerWaalsContact CG-O 3.28Å; R134-L139 WeakPolarHBondContact CG-O 3.27Å; R134-L139 PolarHBondContact NH1-O 3.14Å; R134-L139 PolarHBondContact O-N 3.02Å; R134-L139 VanDerWaalsContact O-N 3.09Å; M137-L139 HydrophobicContact CB-CD1 4Å; M137-L139 HydrophobicContact CB-CG 3.88Å; M137-L139 HydrophobicContact CE-CD1 3.98Å; M137-L139 PolarHBondContact O-N 3.19Å; M137-L139 HydrophobicContact SD-CD1 4.35Å; L139-D143 HydrophobicContact CB-CB 4.17Å; L139-D143 HydrophobicContact CD2-CB 4.12Å; L139-V144 HydrophobicContact CB-CG2 4.18Å; L139-V144 HydrophobicContact CD1-CG2 4.39Å; L139-W184 HydrophobicContact CD1-CZ2 3.92Å; L139-I197 HydrophobicContact CD1-CG2 3.66Å; L139-V201 HydrophobicContact CD2-CG2 4.27Å
140S90.8Very high90.5Very high46 Ų4639.9 Ų39.932%0.32222%0.222SC..  trans-72.9165168.775.70000111.2T142 D143 V144S140-T142 PolarHBondContact O-N 3.24Å; S140-T142 PolarHBondContact OG-N 2.66Å; S140-D143 WeakPolarHBondContact CA-OD2 3.34Å; S140-D143 WeakPolarHBondContact CB-OD2 3.48Å; S140-D143 PolarHBondContact N-OD2 3.31Å; S140-D143 PolarHBondContact O-N 2.8Å; S140-D143 PolarHBondContact OG-N 3.29Å; S140-D143 PolarHBondContact OG-OD1 3.41Å; S140-D143 PolarHBondContact OG-OD2 3.14Å; S140-V144 PolarHBondContact O-N 3.1Å; S140-V144 VanDerWaalsContact O-N 3.1Å
141Q91.3Very high90.3Very high47 Ų4741.7 Ų41.722%0.2223%0.232CC..Hα-helixtrans-62.6-30172.7-69.9175.9-11.400111.6A145 V158 I161 E165Q141-A145 WeakPolarHBondContact O-CB 3.34Å; Q141-A145 PolarHBondContact O-N 3.01Å; Q141-V158 HydrophobicContact CB-CG1 3.68Å; Q141-I161 HydrophobicContact CB-CB 4.36Å; Q141-I161 HydrophobicContact CB-CG2 4.09Å; Q141-I161 HydrophobicContact CG-CG2 4Å; Q141-E165 PolarHBondContact NE2-OE2 2.77Å
142T89.9Confident90.1Very high61 Ų6142.1 Ų42.137%0.37423%0.232SC..Hα-helixtrans-66.5-45174-54.40000111S140 V144 A145 N146 V158S140-T142 PolarHBondContact O-N 3.24Å; S140-T142 PolarHBondContact OG-N 2.66Å; T142-V144 VanDerWaalsContact C-N 3.33Å; T142-V144 PolarHBondContact O-N 3.02Å; T142-A145 WeakPolarHBondContact O-CB 3.3Å; T142-A145 PolarHBondContact O-N 3.48Å; T142-N146 WeakPolarHBondContact O-CB 3.22Å; T142-N146 PolarHBondContact O-N 3.1Å; T142-N146 PolarHBondContact O-ND2 2.88Å; T142-V158 HydrophobicContact CG2-CG2 4.28Å
143D91.2Very high90Very high23 Ų2339.8 Ų39.812%0.12323%0.228CC..Hα-helixtrans-61.1-43.7178.3-59.6-33.5000111.1L139 S140 N146 S147 V201L139-D143 HydrophobicContact CB-CB 4.17Å; L139-D143 HydrophobicContact CD2-CB 4.12Å; S140-D143 WeakPolarHBondContact CA-OD2 3.34Å; S140-D143 WeakPolarHBondContact CB-OD2 3.48Å; S140-D143 PolarHBondContact N-OD2 3.31Å; S140-D143 PolarHBondContact O-N 2.8Å; S140-D143 PolarHBondContact OG-N 3.29Å; S140-D143 PolarHBondContact OG-OD1 3.41Å; S140-D143 PolarHBondContact OG-OD2 3.14Å; D143-N146 PolarHBondContact O-N 3.28Å; D143-S147 WeakPolarHBondContact O-CB 3.39Å; D143-S147 PolarHBondContact O-N 3.27Å; D143-S147 PolarHBondContact O-OG 3.33Å; D143-V201 HydrophobicContact CB-CB 4.39Å; D143-V201 HydrophobicContact CB-CG1 3.69Å; D143-V201 HydrophobicContact CB-CG2 3.71Å; D143-V201 WeakPolarHBondContact O-CG2 3.45Å; D143-V201 WeakPolarHBondContact OD1-CG1 3.47Å
144V92.5Very high89.8Confident0 Ų035.6 Ų35.60%021%0.212CC..Hα-helixtrans-63.4-48.1175.4178.90000111.2F130 R134 L139 S140 T142 N146 S147 L148 I161 W184F130-V144 HydrophobicContact CE2-CG1 4.07Å; F130-V144 HydrophobicContact CZ-CG1 3.82Å; R134-V144 HydrophobicContact CB-CG2 4.37Å; R134-V144 HydrophobicContact CG-CG2 3.51Å; L139-V144 HydrophobicContact CB-CG2 4.18Å; L139-V144 HydrophobicContact CD1-CG2 4.39Å; S140-V144 PolarHBondContact O-N 3.1Å; S140-V144 VanDerWaalsContact O-N 3.1Å; T142-V144 VanDerWaalsContact C-N 3.33Å; T142-V144 PolarHBondContact O-N 3.02Å; V144-N146 PolarHBondContact O-N 3.37Å; V144-S147 WeakPolarHBondContact CA-OG 3.48Å; V144-S147 PolarHBondContact O-N 3.16Å; V144-S147 VanDerWaalsContact O-N 3.17Å; V144-S147 PolarHBondContact O-OG 3.02Å; V144-L148 HydrophobicContact CG1-CD1 4.22Å; V144-L148 HydrophobicContact CG1-CG 4.19Å; V144-L148 WeakPolarHBondContact O-CG 3.44Å; V144-L148 PolarHBondContact O-N 2.88Å; V144-I161 HydrophobicContact CG1-CD1 4.29Å; V144-W184 HydrophobicContact CG1-CZ2 4.28Å; V144-W184 HydrophobicContact CG2-CH2 4.22Å; V144-W184 HydrophobicContact CG2-CZ2 3.77Å
145A91.7Very high89.5Confident5 Ų539.5 Ų39.54%0.04123%0.231CC..Hα-helixtrans-55-41.8177.200000112.6Q141 T142 G149 R156 I161Q141-A145 WeakPolarHBondContact O-CB 3.34Å; Q141-A145 PolarHBondContact O-N 3.01Å; T142-A145 WeakPolarHBondContact O-CB 3.3Å; T142-A145 PolarHBondContact O-N 3.48Å; A145-G149 PolarHBondContact O-N 3.2Å; A145-R156 WeakPolarHBondContact CB-O 3.49Å; A145-I161 HydrophobicContact CB-CG1 4.12Å
146N90Very high89.5Confident38 Ų3838.5 Ų38.520%0.20322%0.223CC..Hα-helixtrans-66.1-48.8176.3-71.4-15.1000111.5T142 D143 V144 L148 G149 K150 F204T142-N146 WeakPolarHBondContact O-CB 3.22Å; T142-N146 PolarHBondContact O-N 3.1Å; T142-N146 PolarHBondContact O-ND2 2.88Å; D143-N146 PolarHBondContact O-N 3.28Å; V144-N146 PolarHBondContact O-N 3.37Å; N146-L148 VanDerWaalsContact C-N 3.31Å; N146-L148 PolarHBondContact O-N 3.22Å; N146-G149 WeakPolarHBondContact O-CA 3.16Å; N146-G149 PolarHBondContact O-N 2.97Å; N146-K150 PolarHBondContact O-N 3.5Å; N146-F204 HydrophobicContact CB-CB 4.17Å; N146-F204 HydrophobicContact CB-CD1 4.48Å; N146-F204 HydrophobicContact CB-CD2 3.58Å; N146-F204 HydrophobicContact CB-CE2 4Å; N146-F204 HydrophobicContact CB-CG 3.84Å; N146-F204 WeakPolarHBondContact O-CE2 3.45Å
147S93.2Very high89.6Confident0 Ų038.4 Ų38.40%021%0.212CC..Hα-helixtrans-58.7-40.4178.573.70000112.4D143 V144 G149 K150 L151 W184D143-S147 WeakPolarHBondContact O-CB 3.39Å; D143-S147 PolarHBondContact O-N 3.27Å; D143-S147 PolarHBondContact O-OG 3.33Å; V144-S147 WeakPolarHBondContact CA-OG 3.48Å; V144-S147 PolarHBondContact O-N 3.16Å; V144-S147 VanDerWaalsContact O-N 3.17Å; V144-S147 PolarHBondContact O-OG 3.02Å; S147-G149 VanDerWaalsContact C-N 3.31Å; S147-G149 PolarHBondContact O-N 2.86Å; S147-K150 PolarHBondContact O-N 2.99Å; S147-L151 VanDerWaalsContact O-CB 3.32Å; S147-L151 WeakPolarHBondContact O-CB 3.33Å; S147-L151 WeakPolarHBondContact O-CG 3.4Å; S147-L151 PolarHBondContact O-N 3.37Å; S147-W184 PolarHBondContact OG-NE1 3.2Å
148L93.2Very high89.8Confident0 Ų039.6 Ų39.60%022%0.221CC..Hα-helixtrans-63-38.4175.9-66.4-179.6000112.2V144 N146 Y152 G153 V154 I161 I180 I181 W184V144-L148 HydrophobicContact CG1-CD1 4.22Å; V144-L148 HydrophobicContact CG1-CG 4.19Å; V144-L148 WeakPolarHBondContact O-CG 3.44Å; V144-L148 PolarHBondContact O-N 2.88Å; N146-L148 VanDerWaalsContact C-N 3.31Å; N146-L148 PolarHBondContact O-N 3.22Å; L148-Y152 HydrophobicContact CD2-CD2 3.73Å; L148-Y152 HydrophobicContact CD2-CE2 3.71Å; L148-Y152 PolarHBondContact O-N 2.96Å; L148-G153 PolarHBondContact O-N 3.36Å; L148-V154 CarbonylContact C-O 3.33Å; L148-V154 PolarHBondContact O-N 3.49Å; L148-I161 HydrophobicContact CD1-CD1 3.83Å; L148-I180 HydrophobicContact CD2-CG1 4.11Å; L148-I181 HydrophobicContact CD1-CD1 4.23Å; L148-W184 HydrophobicContact CD2-CB 3.85Å; L148-W184 HydrophobicContact CD2-CG 3.86Å
149G90.9Very high90Very high7 Ų736.2 Ų36.27%0.07221%0.209CC..Hα-helixtrans-64.3-45.7175.200000112.3A145 N146 S147 G153A145-G149 PolarHBondContact O-N 3.2Å; N146-G149 WeakPolarHBondContact O-CA 3.16Å; N146-G149 PolarHBondContact O-N 2.97Å; S147-G149 VanDerWaalsContact C-N 3.31Å; S147-G149 PolarHBondContact O-N 2.86Å; G149-G153 WeakPolarHBondContact O-CA 3.21Å; G149-G153 PolarHBondContact O-N 2.95Å; G149-G153 VanDerWaalsContact O-N 3.13Å
150K88.9Confident90.4Very high89 Ų8936.5 Ų36.539%0.38721%0.21SC..Hα-helixtrans-71.5-48.8-178.8-173.468169.7-175.90112.8N146 S147 A200 D203 F204N146-K150 PolarHBondContact O-N 3.5Å; S147-K150 PolarHBondContact O-N 2.99Å; K150-A200 HydrophobicContact CB-CB 3.82Å; K150-A200 HydrophobicContact CG-CB 3.79Å; K150-D203 WeakPolarHBondContact CE-OD2 3.25Å; K150-D203 IonicContact NZ-OD2 3.79Å; K150-F204 HydrophobicContact CB-CD2 4.49Å; K150-F204 HydrophobicContact CB-CE2 3.9Å
151L90.7Very high90.4Very high38 Ų3834.3 Ų34.320%0.19919%0.194CC..Hα-helixtrans-79.6-33-169.8-65.6177.4000113.1S147 K196 I197 A200 A222S147-L151 VanDerWaalsContact O-CB 3.32Å; S147-L151 WeakPolarHBondContact O-CB 3.33Å; S147-L151 WeakPolarHBondContact O-CG 3.4Å; S147-L151 PolarHBondContact O-N 3.37Å; L151-K196 HydrophobicContact CD2-CB 4.27Å; L151-I197 HydrophobicContact CD1-CB 4.43Å; L151-I197 HydrophobicContact CD1-CG1 3.65Å; L151-A200 HydrophobicContact CD2-CB 4.18Å; L151-A200 HydrophobicContact CG-CB 4.09Å; L151-A222 WeakPolarHBondContact O-CB 3.23Å
152Y91.5Very high90.5Very high21 Ų2132.7 Ų32.78%0.08219%0.188CC..Hα-helixtrans-124.6-0.9-172.1-47.5-63.9000113.4L148 V154 I180 R183 W184 D187L148-Y152 HydrophobicContact CD2-CD2 3.73Å; L148-Y152 HydrophobicContact CD2-CE2 3.71Å; L148-Y152 PolarHBondContact O-N 2.96Å; Y152-V154 WeakPolarHBondContact O-CG2 3.49Å; Y152-V154 PolarHBondContact O-N 3.03Å; Y152-I180 VanDerWaalsContact CB-CD1 3.47Å; Y152-I180 HydrophobicContact CD1-CD1 4.22Å; Y152-I180 HydrophobicContact CD2-CD1 3.38Å; Y152-I180 HydrophobicContact CD2-CG1 4.24Å; Y152-I180 HydrophobicContact CE2-CD1 4.14Å; Y152-I180 HydrophobicContact CG-CD1 3.43Å; Y152-I180 VanDerWaalsContact CG-CD1 3.43Å; Y152-R183 HydrophobicContact CD1-CG 4.37Å; Y152-R183 HydrophobicContact CE1-CG 3.67Å; Y152-W184 HydrophobicContact CE2-CB 4.06Å; Y152-W184 WeakPolarHBondContact OH-CA 3.48Å; Y152-D187 WeakPolarHBondContact CE1-OD2 3.46Å; Y152-D187 PolarHBondContact OH-OD2 2.91Å
153G87.4Confident90.5Very high35 Ų3535.3 Ų35.336%0.36119%0.191SC..SBendtrans67.514.1-174.200000113.7L148 G149L148-G153 PolarHBondContact O-N 3.36Å; G149-G153 WeakPolarHBondContact O-CA 3.21Å; G149-G153 PolarHBondContact O-N 2.95Å; G149-G153 VanDerWaalsContact O-N 3.13Å
154V88.5Confident90.6Very high0 Ų034.2 Ų34.20%019%0.185CC..  trans-102.590.4-174-175.30000110.3L148 Y152 R156 I180 F227 F230L148-V154 CarbonylContact C-O 3.33Å; L148-V154 PolarHBondContact O-N 3.49Å; Y152-V154 WeakPolarHBondContact O-CG2 3.49Å; Y152-V154 PolarHBondContact O-N 3.03Å; V154-R156 HydrophobicContact CG1-CG 4.2Å; V154-R156 VanDerWaalsContact CG1-CZ 3.42Å; V154-R156 PolarHBondContact O-N 3.45Å; V154-I180 HydrophobicContact CB-CD1 4.29Å; V154-I180 HydrophobicContact CB-CG1 4.19Å; V154-I180 HydrophobicContact CG1-CG1 4.28Å; V154-I180 HydrophobicContact CG2-CD1 3.9Å; V154-I180 HydrophobicContact CG2-CG1 4.19Å; V154-F227 HydrophobicContact CG2-CB 4.01Å; V154-F227 HydrophobicContact CG2-CG 4.48Å; V154-F230 HydrophobicContact CB-CB 4.47Å; V154-F230 HydrophobicContact CG1-CB 3.93Å; V154-F230 HydrophobicContact CG1-CG 4.44Å; V154-F230 HydrophobicContact CG2-CB 3.88Å; V154-F230 HydrophobicContact CG2-CD2 4.42Å; V154-F230 HydrophobicContact CG2-CG 4.48Å
155H87.1Confident90.6Very high99 Ų9935.3 Ų35.346%0.45819%0.191SC..  trans-71.5122.6176.2-61.1-82000111.2
156R88.7Confident90.4Very high45 Ų4540.8 Ų40.817%0.1721%0.21CC..  trans-129.2147.5173.4-69.3-61.1-178.5-94.6-2.9109.5A145 V154 M160A145-R156 WeakPolarHBondContact CB-O 3.49Å; V154-R156 HydrophobicContact CG1-CG 4.2Å; V154-R156 VanDerWaalsContact CG1-CZ 3.42Å; V154-R156 PolarHBondContact O-N 3.45Å; R156-M160 HydrophobicContact CB-CE 4.42Å; R156-M160 HydrophobicContact CB-CG 4.39Å; R156-M160 HydrophobicContact CB-SD 3.5Å; R156-M160 VanDerWaalsContact CB-SD 3.5Å; R156-M160 HydrophobicContact CG-CE 3.87Å; R156-M160 HydrophobicContact CG-SD 3.6Å
157S88.3Confident90.3Very high61 Ų6141.6 Ų41.643%0.42721%0.213SC..  trans-78.1152.5176.156.70000110.5S159 M160 I161S157-S159 PolarHBondContact O-N 3.05Å; S157-S159 PolarHBondContact OG-OG 3.33Å; S157-M160 WeakPolarHBondContact O-CA 3.42Å; S157-M160 WeakPolarHBondContact O-CB 3.35Å; S157-M160 PolarHBondContact O-N 2.79Å; S157-M160 WeakPolarHBondContact OG-CB 3.43Å; S157-M160 PolarHBondContact OG-N 3.41Å; S157-I161 PolarHBondContact O-N 2.93Å
158V89.9Confident90.1Very high57 Ų5745 Ų4535%0.34523%0.231SC..Hα-helixtrans-51.2-42.2170.1-171.60000111Q141 T142 M160 I161 S162Q141-V158 HydrophobicContact CB-CG1 3.68Å; T142-V158 HydrophobicContact CG2-CG2 4.28Å; V158-M160 PolarHBondContact O-N 2.95Å; V158-I161 PolarHBondContact O-N 3.45Å; V158-I161 VanDerWaalsContact O-N 3.14Å; V158-S162 PolarHBondContact O-N 3.23Å
159S89.8Confident89.8Confident74 Ų7446.3 Ų46.352%0.51724%0.238SC..Hα-helixtrans-61.1-29.7175.568.60000114S157 R163S157-S159 PolarHBondContact O-N 3.05Å; S157-S159 PolarHBondContact OG-OG 3.33Å; S159-R163 WeakPolarHBondContact O-CB 3.4Å; S159-R163 VanDerWaalsContact O-CG 3.26Å; S159-R163 WeakPolarHBondContact O-CG 3.28Å; S159-R163 PolarHBondContact O-N 2.99Å; S159-R163 VanDerWaalsContact O-N 3.07Å
160M92.2Very high89.6Confident21 Ų2149 Ų4910%0.10326%0.256CS..Hα-helixtrans-74-40.6176.2167.4-82.7176.700110.6R156 S157 V158 S162 R163 F164 V177R156-M160 HydrophobicContact CB-CE 4.42Å; R156-M160 HydrophobicContact CB-CG 4.39Å; R156-M160 HydrophobicContact CB-SD 3.5Å; R156-M160 VanDerWaalsContact CB-SD 3.5Å; R156-M160 HydrophobicContact CG-CE 3.87Å; R156-M160 HydrophobicContact CG-SD 3.6Å; S157-M160 WeakPolarHBondContact O-CA 3.42Å; S157-M160 WeakPolarHBondContact O-CB 3.35Å; S157-M160 PolarHBondContact O-N 2.79Å; S157-M160 WeakPolarHBondContact OG-CB 3.43Å; S157-M160 PolarHBondContact OG-N 3.41Å; V158-M160 PolarHBondContact O-N 2.95Å; M160-S162 VanDerWaalsContact C-N 3.34Å; M160-R163 PolarHBondContact O-N 3.38Å; M160-F164 WeakPolarHBondContact O-CB 3.45Å; M160-F164 PolarHBondContact O-N 3.32Å; M160-V177 HydrophobicContact CE-CB 3.79Å; M160-V177 HydrophobicContact CE-CG1 3.11Å; M160-V177 HydrophobicContact CE-CG2 3.27Å
161I92.2Very high89.5Confident0 Ų048.8 Ų48.80%026%0.259CS..Hα-helixtrans-59.9-48174.1-56.8-61000109.5F130 Q141 V144 A145 L148 S157 V158 R163 F164 E165F130-I161 HydrophobicContact CE1-CG2 4.05Å; F130-I161 HydrophobicContact CZ-CG2 4.15Å; Q141-I161 HydrophobicContact CB-CB 4.36Å; Q141-I161 HydrophobicContact CB-CG2 4.09Å; Q141-I161 HydrophobicContact CG-CG2 4Å; V144-I161 HydrophobicContact CG1-CD1 4.29Å; A145-I161 HydrophobicContact CB-CG1 4.12Å; L148-I161 HydrophobicContact CD1-CD1 3.83Å; S157-I161 PolarHBondContact O-N 2.93Å; V158-I161 PolarHBondContact O-N 3.45Å; V158-I161 VanDerWaalsContact O-N 3.14Å; I161-R163 VanDerWaalsContact C-N 3.34Å; I161-R163 PolarHBondContact O-N 3.23Å; I161-F164 WeakPolarHBondContact O-CB 3.38Å; I161-F164 PolarHBondContact O-N 2.91Å; I161-F164 VanDerWaalsContact O-N 3.12Å; I161-E165 WeakPolarHBondContact O-CG 3.26Å; I161-E165 PolarHBondContact O-N 3.48Å
162S92.6Very high89.1Confident13 Ų1350.4 Ų50.49%0.09127%0.273CS..Hα-helixtrans-56.3-44.9176-177.90000113.2V158 M160 F164 R166V158-S162 PolarHBondContact O-N 3.23Å; M160-S162 VanDerWaalsContact C-N 3.34Å; S162-F164 VanDerWaalsContact C-N 3.34Å; S162-R166 WeakPolarHBondContact O-CB 3.5Å; S162-R166 VanDerWaalsContact O-CG 3.28Å; S162-R166 WeakPolarHBondContact O-CG 3.4Å; S162-R166 PolarHBondContact O-N 3.22Å; S162-R166 VanDerWaalsContact O-N 3.16Å; S162-R166 PolarHBondContact OG-NH1 3.33Å
163R91Very high88.9Confident115 Ų11553 Ų5343%0.43429%0.289SS..Hα-helixtrans-70-32.1178.3-71.9-179.175.6-169.6-2112.6S159 M160 I161 M167 D168 L169S159-R163 WeakPolarHBondContact O-CB 3.4Å; S159-R163 VanDerWaalsContact O-CG 3.26Å; S159-R163 WeakPolarHBondContact O-CG 3.28Å; S159-R163 PolarHBondContact O-N 2.99Å; S159-R163 VanDerWaalsContact O-N 3.07Å; M160-R163 PolarHBondContact O-N 3.38Å; I161-R163 VanDerWaalsContact C-N 3.34Å; I161-R163 PolarHBondContact O-N 3.23Å; R163-M167 PolarHBondContact O-N 3.33Å; R163-D168 HydrophobicContact CB-CB 4.41Å; R163-D168 IonicContact CZ-OD2 3.57Å; R163-D168 PolarHBondContact NE-O 3.34Å; R163-D168 IonicContact NE-OD2 2.78Å; R163-D168 PolarHBondContact NE-OD2 2.89Å; R163-D168 PolarHBondContact NH2-O 3.32Å; R163-D168 IonicContact NH2-OD2 2.95Å; R163-D168 PolarHBondContact O-N 3.27Å; R163-L169 HydrophobicContact CB-CD2 3.69Å; R163-L169 HydrophobicContact CB-CG 4.14Å
164F92.4Very high89.1Confident0 Ų051.6 Ų51.60%027%0.272CS..Hα-helixtrans-62.8-54.5173.4-178.9-89.2000110.6L126 S127 F130 M160 I161 S162 R166 M167 L169 Y174 V177 I181L126-F164 HydrophobicContact CD2-CE1 4.08Å; L126-F164 HydrophobicContact CD2-CZ 3.53Å; S127-F164 PolarHBondContact OG-O 2.64Å; F130-F164 HydrophobicContact CB-CE1 4.33Å; F130-F164 AromaticContact CD1-CD1 3.8Å; F130-F164 HydrophobicContact CD1-CD1 3.8Å; F130-F164 AromaticContact CD1-CE1 3.81Å; F130-F164 HydrophobicContact CD1-CE1 3.81Å; F130-F164 HydrophobicContact CE1-CD1 4Å; F130-F164 HydrophobicContact CE1-CE1 4.36Å; F130-F164 HydrophobicContact CG-CE1 4.12Å; M160-F164 WeakPolarHBondContact O-CB 3.45Å; M160-F164 PolarHBondContact O-N 3.32Å; I161-F164 WeakPolarHBondContact O-CB 3.38Å; I161-F164 PolarHBondContact O-N 2.91Å; I161-F164 VanDerWaalsContact O-N 3.12Å; S162-F164 VanDerWaalsContact C-N 3.34Å; F164-R166 PolarHBondContact O-N 3.35Å; F164-M167 PolarHBondContact O-N 3.21Å; F164-L169 HydrophobicContact CB-CD1 4.1Å; F164-L169 HydrophobicContact CD2-CD1 4.12Å; F164-Y174 AromaticContact CD2-CD2 3.78Å; F164-Y174 HydrophobicContact CD2-CD2 3.78Å; F164-Y174 AromaticContact CD2-CE2 3.47Å; F164-Y174 HydrophobicContact CD2-CE2 3.47Å; F164-Y174 VanDerWaalsContact CD2-CE2 3.47Å; F164-Y174 HydrophobicContact CE1-CE2 4.39Å; F164-Y174 HydrophobicContact CE2-CD1 4.4Å; F164-Y174 AromaticContact CE2-CD2 3.79Å; F164-Y174 HydrophobicContact CE2-CD2 3.79Å; F164-Y174 AromaticContact CE2-CE1 3.96Å; F164-Y174 HydrophobicContact CE2-CE1 3.96Å; F164-Y174 AromaticContact CE2-CE2 3.25Å; F164-Y174 HydrophobicContact CE2-CE2 3.25Å; F164-Y174 HydrophobicContact CE2-CG 4.33Å; F164-Y174 AromaticContact CE2-CZ 3.39Å; F164-Y174 HydrophobicContact CG-CE2 4.15Å; F164-Y174 HydrophobicContact CZ-CE1 4.3Å; F164-Y174 AromaticContact CZ-CE2 3.76Å; F164-Y174 HydrophobicContact CZ-CE2 3.76Å; F164-Y174 AromaticContact CZ-CZ 3.56Å; F164-Y174 WeakPolarHBondContact CZ-OH 3.47Å; F164-V177 HydrophobicContact CD2-CB 4.3Å; F164-V177 HydrophobicContact CD2-CG1 3.57Å; F164-V177 HydrophobicContact CE2-CB 4.4Å; F164-V177 HydrophobicContact CE2-CG1 3.72Å; F164-V177 HydrophobicContact CG-CG1 4.41Å; F164-I181 HydrophobicContact CD1-CG1 4.36Å; F164-I181 HydrophobicContact CD2-CG1 4.34Å; F164-I181 HydrophobicContact CE1-CB 4.2Å; F164-I181 HydrophobicContact CE1-CG1 3.95Å; F164-I181 HydrophobicContact CE1-CG2 3.66Å; F164-I181 HydrophobicContact CE2-CB 4.41Å; F164-I181 HydrophobicContact CE2-CG1 3.9Å; F164-I181 HydrophobicContact CZ-CB 3.84Å; F164-I181 HydrophobicContact CZ-CG1 3.69Å; F164-I181 HydrophobicContact CZ-CG2 3.69Å
165E92.6Very high89.1Confident24 Ų2454.1 Ų54.111%0.11229%0.286CS..Hα-helixtrans-56.3-36.5178.8-66.8179.1175.300112.7F130 T131 R134 Q141 I161 M167F130-E165 HydrophobicContact CD1-CG 3.96Å; F130-E165 HydrophobicContact CE1-CG 3.82Å; T131-E165 WeakPolarHBondContact OG1-CG 3.47Å; R134-E165 IonicContact CZ-OE1 2.65Å; R134-E165 VanDerWaalsContact CZ-OE1 3.26Å; R134-E165 IonicContact NE-OE1 3.73Å; R134-E165 PolarHBondContact NE-OE1 3.39Å; R134-E165 IonicContact NH2-OE1 2.81Å; R134-E165 PolarHBondContact NH2-OE1 3.02Å; R134-E165 IonicContact NH2-OE2 3.86Å; R134-E165 PolarHBondContact NH2-OE2 3.22Å; R134-E165 VanDerWaalsContact NH2-OE2 3.1Å; Q141-E165 PolarHBondContact NE2-OE2 2.77Å; I161-E165 WeakPolarHBondContact O-CG 3.26Å; I161-E165 PolarHBondContact O-N 3.48Å; E165-M167 VanDerWaalsContact C-N 3.29Å; E165-M167 PolarHBondContact O-N 2.81Å
166R87.9Confident89.1Confident120 Ų12054.8 Ų54.845%0.45329%0.287SS..THydrogen-bonded Turntrans-80.1-6.4179.2-67.6172.3-175.2167.92.4113.9R91 S162 F164 D168R91-R166 PolarHBondContact NE-O 3.1Å; R91-R166 VanDerWaalsContact NE-O 3.13Å; S162-R166 WeakPolarHBondContact O-CB 3.5Å; S162-R166 VanDerWaalsContact O-CG 3.28Å; S162-R166 WeakPolarHBondContact O-CG 3.4Å; S162-R166 PolarHBondContact O-N 3.22Å; S162-R166 VanDerWaalsContact O-N 3.16Å; S162-R166 PolarHBondContact OG-NH1 3.33Å; F164-R166 PolarHBondContact O-N 3.35Å; R166-D168 HydrophobicContact CB-CB 4.29Å; R166-D168 PolarHBondContact O-N 3.42Å
167M88.3Confident89.1Confident55 Ų5553 Ų5327%0.27128%0.281SS..THydrogen-bonded Turntrans58.132.4-169.5-64.1-72.2-7100113.1R91 L123 S127 R163 F164 E165 Y174R91-M167 VanDerWaalsContact NH2-CG 3.28Å; L123-M167 HydrophobicContact CB-CE 3.86Å; S127-M167 PolarHBondContact OG-SD 3.05Å; R163-M167 PolarHBondContact O-N 3.33Å; F164-M167 PolarHBondContact O-N 3.21Å; E165-M167 VanDerWaalsContact C-N 3.29Å; E165-M167 PolarHBondContact O-N 2.81Å; M167-Y174 HydrophobicContact CE-CE2 4.15Å; M167-Y174 HydrophobicContact SD-CD2 3.94Å; M167-Y174 HydrophobicContact SD-CE1 4.36Å; M167-Y174 HydrophobicContact SD-CE2 3.17Å; M167-Y174 WeakPolarHBondContact SD-CE2 3.49Å; M167-Y174 PolarHBondContact SD-OH 3.28Å; M167-Y174 VanDerWaalsContact SD-OH 3.42Å
168D88.5Confident89.2Confident70 Ų7051.6 Ų51.637%0.37427%0.267SS..  trans-97.420.3-178.5-177.954000112.8R163 R166R163-D168 HydrophobicContact CB-CB 4.41Å; R163-D168 IonicContact CZ-OD2 3.57Å; R163-D168 PolarHBondContact NE-O 3.34Å; R163-D168 IonicContact NE-OD2 2.78Å; R163-D168 PolarHBondContact NE-OD2 2.89Å; R163-D168 PolarHBondContact NH2-O 3.32Å; R163-D168 IonicContact NH2-OD2 2.95Å; R163-D168 PolarHBondContact O-N 3.27Å; R166-D168 HydrophobicContact CB-CB 4.29Å; R166-D168 PolarHBondContact O-N 3.42Å
169L86.8Confident89.3Confident28 Ų2851.5 Ų51.515%0.14727%0.267CS..SBendtrans-93.4151.6169.4-61.2178.8000109.5R163 F164 N173 Y174R163-L169 HydrophobicContact CB-CD2 3.69Å; R163-L169 HydrophobicContact CB-CG 4.14Å; F164-L169 HydrophobicContact CB-CD1 4.1Å; F164-L169 HydrophobicContact CD2-CD1 4.12Å; L169-N173 HydrophobicContact CB-CB 4.31Å; L169-Y174 HydrophobicContact CB-CD2 4.45Å; L169-Y174 HydrophobicContact CD1-CD2 4.39Å
170S86.2Confident89.4Confident64 Ų6448 Ų4845%0.44824%0.243SC..  trans-62.2148.5164.361.30000109.4S172 N173 Y174S170-S172 VanDerWaalsContact C-N 3.25Å; S170-S172 PolarHBondContact O-N 3.2Å; S170-N173 CarbonylContact O-C 3.5Å; S170-N173 WeakPolarHBondContact O-CA 3.28Å; S170-N173 PolarHBondContact O-N 2.85Å; S170-N173 WeakPolarHBondContact OG-CB 3.31Å; S170-N173 PolarHBondContact OG-N 3.24Å; S170-N173 PolarHBondContact OG-ND2 3.12Å; S170-Y174 PolarHBondContact O-N 3.34Å
171L86.8Confident89.5Confident85 Ų8547 Ų4745%0.44524%0.238SC..Hα-helixtrans-50.9-46.2-179.2-179.361.1000111.9L123 N173 Y174 L175L123-L171 HydrophobicContact CD1-CD1 3.56Å; L171-N173 VanDerWaalsContact C-N 3.31Å; L171-N173 PolarHBondContact O-N 2.8Å; L171-Y174 WeakPolarHBondContact O-CB 3.25Å; L171-Y174 PolarHBondContact O-N 3.14Å; L171-Y174 VanDerWaalsContact O-N 3.11Å; L171-L175 HydrophobicContact CD1-CD1 4.23Å; L171-L175 HydrophobicContact CD1-CD2 4.45Å; L171-L175 HydrophobicContact CD1-CG 4.1Å; L171-L175 HydrophobicContact CG-CD1 4.12Å; L171-L175 HydrophobicContact CG-CG 4.39Å; L171-L175 WeakPolarHBondContact O-CG 2.99Å; L171-L175 PolarHBondContact O-N 3.07Å
172S83.3Confident89.6Confident72 Ų7249.4 Ų49.450%0.50325%0.251SS..Hα-helixtrans-57.5-39.5175.7-179.80000113.4S170 K176S170-S172 VanDerWaalsContact C-N 3.25Å; S170-S172 PolarHBondContact O-N 3.2Å; S172-K176 VanDerWaalsContact O-CG 3.3Å; S172-K176 WeakPolarHBondContact O-CG 3.41Å; S172-K176 PolarHBondContact O-N 3.25Å
173N87.5Confident89.6Confident76 Ų7654.6 Ų54.641%0.40627%0.268SS..Hα-helixtrans-75.1-34.8176.9-76.5-19.1000112.1L169 S170 L171 K176 V177L169-N173 HydrophobicContact CB-CB 4.31Å; S170-N173 CarbonylContact O-C 3.5Å; S170-N173 WeakPolarHBondContact O-CA 3.28Å; S170-N173 PolarHBondContact O-N 2.85Å; S170-N173 WeakPolarHBondContact OG-CB 3.31Å; S170-N173 PolarHBondContact OG-N 3.24Å; S170-N173 PolarHBondContact OG-ND2 3.12Å; L171-N173 VanDerWaalsContact C-N 3.31Å; L171-N173 PolarHBondContact O-N 2.8Å; N173-K176 PolarHBondContact O-N 2.97Å; N173-V177 WeakPolarHBondContact O-CG2 3.33Å; N173-V177 PolarHBondContact O-N 2.99Å
174Y89.9Confident89.8Confident4 Ų449.1 Ų49.12%0.01625%0.248CC..Hα-helixtrans-62.3-49.1175.2-166.3-86.2000110.7L123 S127 F164 M167 L169 S170 L171 K176 V177 Y178L123-Y174 HydrophobicContact CB-CD1 4.45Å; L123-Y174 HydrophobicContact CB-CE1 3.82Å; L123-Y174 HydrophobicContact CD1-CD1 4.16Å; L123-Y174 HydrophobicContact CD1-CE1 4.33Å; L123-Y174 HydrophobicContact CD2-CD1 3.93Å; L123-Y174 HydrophobicContact CD2-CE1 3.62Å; L123-Y174 HydrophobicContact CG-CD1 4.41Å; L123-Y174 HydrophobicContact CG-CE1 4.11Å; L123-Y174 PolarHBondContact O-OH 3.02Å; S127-Y174 WeakPolarHBondContact CB-OH 3.48Å; S127-Y174 PolarHBondContact OG-OH 3.26Å; F164-Y174 AromaticContact CD2-CD2 3.78Å; F164-Y174 HydrophobicContact CD2-CD2 3.78Å; F164-Y174 AromaticContact CD2-CE2 3.47Å; F164-Y174 HydrophobicContact CD2-CE2 3.47Å; F164-Y174 VanDerWaalsContact CD2-CE2 3.47Å; F164-Y174 HydrophobicContact CE1-CE2 4.39Å; F164-Y174 HydrophobicContact CE2-CD1 4.4Å; F164-Y174 AromaticContact CE2-CD2 3.79Å; F164-Y174 HydrophobicContact CE2-CD2 3.79Å; F164-Y174 AromaticContact CE2-CE1 3.96Å; F164-Y174 HydrophobicContact CE2-CE1 3.96Å; F164-Y174 AromaticContact CE2-CE2 3.25Å; F164-Y174 HydrophobicContact CE2-CE2 3.25Å; F164-Y174 HydrophobicContact CE2-CG 4.33Å; F164-Y174 AromaticContact CE2-CZ 3.39Å; F164-Y174 HydrophobicContact CG-CE2 4.15Å; F164-Y174 HydrophobicContact CZ-CE1 4.3Å; F164-Y174 AromaticContact CZ-CE2 3.76Å; F164-Y174 HydrophobicContact CZ-CE2 3.76Å; F164-Y174 AromaticContact CZ-CZ 3.56Å; F164-Y174 WeakPolarHBondContact CZ-OH 3.47Å; M167-Y174 HydrophobicContact CE-CE2 4.15Å; M167-Y174 HydrophobicContact SD-CD2 3.94Å; M167-Y174 HydrophobicContact SD-CE1 4.36Å; M167-Y174 HydrophobicContact SD-CE2 3.17Å; M167-Y174 WeakPolarHBondContact SD-CE2 3.49Å; M167-Y174 PolarHBondContact SD-OH 3.28Å; M167-Y174 VanDerWaalsContact SD-OH 3.42Å; L169-Y174 HydrophobicContact CB-CD2 4.45Å; L169-Y174 HydrophobicContact CD1-CD2 4.39Å; S170-Y174 PolarHBondContact O-N 3.34Å; L171-Y174 WeakPolarHBondContact O-CB 3.25Å; L171-Y174 PolarHBondContact O-N 3.14Å; L171-Y174 VanDerWaalsContact O-N 3.11Å; Y174-K176 VanDerWaalsContact C-N 3.28Å; Y174-K176 PolarHBondContact O-N 2.88Å; Y174-V177 CarbonylContact O-C 3.53Å; Y174-V177 WeakPolarHBondContact O-CA 3.36Å; Y174-V177 WeakPolarHBondContact O-CB 3.33Å; Y174-V177 PolarHBondContact O-N 2.77Å; Y174-Y178 HydrophobicContact CE1-CD2 4.27Å; Y174-Y178 PolarHBondContact O-N 2.83Å
175L88.3Confident90Very high53 Ų5349.5 Ų49.528%0.27725%0.25SC..Hα-helixtrans-62.9-29.8178.1-65.5178000113.4P117 L123 L171 V177 P179P117-L175 VanDerWaalsContact O-CD2 3.27Å; P117-L175 WeakPolarHBondContact O-CD2 3.29Å; L123-L175 HydrophobicContact CD1-CD2 4.48Å; L123-L175 HydrophobicContact CD2-CD2 4.16Å; L171-L175 HydrophobicContact CD1-CD1 4.23Å; L171-L175 HydrophobicContact CD1-CD2 4.45Å; L171-L175 HydrophobicContact CD1-CG 4.1Å; L171-L175 HydrophobicContact CG-CD1 4.12Å; L171-L175 HydrophobicContact CG-CG 4.39Å; L171-L175 WeakPolarHBondContact O-CG 2.99Å; L171-L175 PolarHBondContact O-N 3.07Å; L175-V177 PolarHBondContact O-N 3.16Å; L175-P179 VanDerWaalsContact O-CD 3.24Å; L175-P179 WeakPolarHBondContact O-CD 3.22Å
176K87.1Confident90.1Very high113 Ų11353.9 Ų53.949%0.49127%0.269SS..Hα-helixtrans-67.3-26.3172.2-74.9170.9-171.4173.80113S172 N173 Y174 F230S172-K176 VanDerWaalsContact O-CG 3.3Å; S172-K176 WeakPolarHBondContact O-CG 3.41Å; S172-K176 PolarHBondContact O-N 3.25Å; N173-K176 PolarHBondContact O-N 2.97Å; Y174-K176 VanDerWaalsContact C-N 3.28Å; Y174-K176 PolarHBondContact O-N 2.88Å; K176-F230 HydrophobicContact CB-CE1 4.41Å; K176-F230 WeakPolarHBondContact O-CE1 3.33Å; K176-F230 WeakPolarHBondContact O-CZ 3.4Å
177V89.5Confident90.3Very high8 Ų849.8 Ų49.85%0.04826%0.256CS..Hα-helixtrans-96.8-26.7-177.7168.80000111.1M160 F164 N173 Y174 L175 P179 I180 I181M160-V177 HydrophobicContact CE-CB 3.79Å; M160-V177 HydrophobicContact CE-CG1 3.11Å; M160-V177 HydrophobicContact CE-CG2 3.27Å; F164-V177 HydrophobicContact CD2-CB 4.3Å; F164-V177 HydrophobicContact CD2-CG1 3.57Å; F164-V177 HydrophobicContact CE2-CB 4.4Å; F164-V177 HydrophobicContact CE2-CG1 3.72Å; F164-V177 HydrophobicContact CG-CG1 4.41Å; N173-V177 WeakPolarHBondContact O-CG2 3.33Å; N173-V177 PolarHBondContact O-N 2.99Å; Y174-V177 CarbonylContact O-C 3.53Å; Y174-V177 WeakPolarHBondContact O-CA 3.36Å; Y174-V177 WeakPolarHBondContact O-CB 3.33Å; Y174-V177 PolarHBondContact O-N 2.77Å; L175-V177 PolarHBondContact O-N 3.16Å; V177-P179 VanDerWaalsContact C-CD 3.48Å; V177-P179 VanDerWaalsContact C-N 3.35Å; V177-I180 HydrophobicContact CG1-CG2 4.14Å; V177-I180 WeakPolarHBondContact O-CG2 3.39Å; V177-I180 PolarHBondContact O-N 3.36Å; V177-I180 VanDerWaalsContact O-N 3.08Å; V177-I181 HydrophobicContact CG1-CD1 4.21Å; V177-I181 HydrophobicContact CG1-CG1 3.48Å; V177-I181 VanDerWaalsContact CG1-CG1 3.48Å; V177-I181 PolarHBondContact O-N 2.79Å; V177-I181 VanDerWaalsContact O-N 3.14Å
178Y90.7Very high90.5Very high31 Ų3147.2 Ų47.212%0.12224%0.243CC..Hα-helixtrans-46.8-48.9-177.9176.6-75.5000113.4E122 L123 L126 Y174 I180 I181 L182E122-Y178 PolarHBondContact OE1-OH 3.15Å; L123-Y178 HydrophobicContact CD2-CD2 3.55Å; L123-Y178 HydrophobicContact CD2-CE2 3.7Å; L126-Y178 HydrophobicContact CD1-CD2 3.82Å; L126-Y178 HydrophobicContact CD1-CE1 4.44Å; L126-Y178 HydrophobicContact CD1-CE2 3.4Å; L126-Y178 VanDerWaalsContact CD1-CE2 3.4Å; L126-Y178 HydrophobicContact CG-CE2 4.49Å; Y174-Y178 HydrophobicContact CE1-CD2 4.27Å; Y174-Y178 PolarHBondContact O-N 2.83Å; Y178-I180 VanDerWaalsContact C-N 3.32Å; Y178-I180 PolarHBondContact O-N 3.03Å; Y178-I181 PolarHBondContact O-N 2.77Å; Y178-L182 HydrophobicContact CE1-CB 4.44Å; Y178-L182 HydrophobicContact CE1-CD2 3.83Å; Y178-L182 WeakPolarHBondContact O-CB 3.45Å; Y178-L182 PolarHBondContact O-N 3.24Å
179P91.2Very high90.7Very high55 Ų5549.6 Ų49.636%0.35725%0.252SS..Hα-helixtrans-63.3-35.9-177.3-23.534.2000113.6L175 V177 R183 F227L175-P179 VanDerWaalsContact O-CD 3.24Å; L175-P179 WeakPolarHBondContact O-CD 3.22Å; V177-P179 VanDerWaalsContact C-CD 3.48Å; V177-P179 VanDerWaalsContact C-N 3.35Å; P179-R183 WeakPolarHBondContact O-CB 3.2Å; P179-R183 PolarHBondContact O-N 2.97Å; P179-F227 HydrophobicContact CB-CE1 4.26Å
180I92.2Very high90.9Very high0 Ų051.9 Ų51.90%027%0.267CS..Hα-helixtrans-74.6-38.3-178.5-173.564.7000111.2L148 Y152 V154 V177 Y178 R183 W184 F227L148-I180 HydrophobicContact CD2-CG1 4.11Å; Y152-I180 VanDerWaalsContact CB-CD1 3.47Å; Y152-I180 HydrophobicContact CD1-CD1 4.22Å; Y152-I180 HydrophobicContact CD2-CD1 3.38Å; Y152-I180 HydrophobicContact CD2-CG1 4.24Å; Y152-I180 HydrophobicContact CE2-CD1 4.14Å; Y152-I180 HydrophobicContact CG-CD1 3.43Å; Y152-I180 VanDerWaalsContact CG-CD1 3.43Å; V154-I180 HydrophobicContact CB-CD1 4.29Å; V154-I180 HydrophobicContact CB-CG1 4.19Å; V154-I180 HydrophobicContact CG1-CG1 4.28Å; V154-I180 HydrophobicContact CG2-CD1 3.9Å; V154-I180 HydrophobicContact CG2-CG1 4.19Å; V177-I180 HydrophobicContact CG1-CG2 4.14Å; V177-I180 WeakPolarHBondContact O-CG2 3.39Å; V177-I180 PolarHBondContact O-N 3.36Å; V177-I180 VanDerWaalsContact O-N 3.08Å; Y178-I180 VanDerWaalsContact C-N 3.32Å; Y178-I180 PolarHBondContact O-N 3.03Å; I180-R183 PolarHBondContact O-N 2.93Å; I180-W184 PolarHBondContact O-N 2.9Å; I180-F227 HydrophobicContact CB-CE1 4.37Å; I180-F227 HydrophobicContact CD1-CD1 4.25Å; I180-F227 HydrophobicContact CD1-CD2 4.47Å; I180-F227 HydrophobicContact CD1-CE1 4.16Å; I180-F227 HydrophobicContact CD1-CE2 4.41Å; I180-F227 HydrophobicContact CD1-CG 4.42Å; I180-F227 HydrophobicContact CD1-CZ 4.26Å
181I94.5Very high91Very high0 Ų051.7 Ų51.70%027%0.269CS..Hα-helixtrans-70.5-41.4176.8-61.6-63.4000111.1L126 F130 L148 F164 V177 Y178 R183 W184 L185L126-I181 HydrophobicContact CD2-CB 4.45Å; L126-I181 HydrophobicContact CD2-CG2 3.85Å; F130-I181 HydrophobicContact CB-CG2 3.95Å; F130-I181 HydrophobicContact CD1-CG2 4.39Å; F130-I181 HydrophobicContact CD2-CD1 4.42Å; F130-I181 HydrophobicContact CD2-CG2 3.38Å; F130-I181 HydrophobicContact CE2-CD1 3.86Å; F130-I181 HydrophobicContact CE2-CG2 3.91Å; F130-I181 HydrophobicContact CG-CG2 3.63Å; F130-I181 HydrophobicContact CZ-CD1 3.91Å; L148-I181 HydrophobicContact CD1-CD1 4.23Å; F164-I181 HydrophobicContact CD1-CG1 4.36Å; F164-I181 HydrophobicContact CD2-CG1 4.34Å; F164-I181 HydrophobicContact CE1-CB 4.2Å; F164-I181 HydrophobicContact CE1-CG1 3.95Å; F164-I181 HydrophobicContact CE1-CG2 3.66Å; F164-I181 HydrophobicContact CE2-CB 4.41Å; F164-I181 HydrophobicContact CE2-CG1 3.9Å; F164-I181 HydrophobicContact CZ-CB 3.84Å; F164-I181 HydrophobicContact CZ-CG1 3.69Å; F164-I181 HydrophobicContact CZ-CG2 3.69Å; V177-I181 HydrophobicContact CG1-CD1 4.21Å; V177-I181 HydrophobicContact CG1-CG1 3.48Å; V177-I181 VanDerWaalsContact CG1-CG1 3.48Å; V177-I181 PolarHBondContact O-N 2.79Å; V177-I181 VanDerWaalsContact O-N 3.14Å; Y178-I181 PolarHBondContact O-N 2.77Å; I181-R183 VanDerWaalsContact C-N 3.27Å; I181-R183 PolarHBondContact O-N 3.01Å; I181-W184 PolarHBondContact O-N 2.8Å; I181-L185 HydrophobicContact CG2-CD1 4.49Å; I181-L185 WeakPolarHBondContact O-CB 3.33Å; I181-L185 PolarHBondContact O-N 3.48Å
182L93.9Very high91.2Very high52 Ų5251.8 Ų51.827%0.27227%0.27SS..Hα-helixtrans-60.5-40.3174.7-175.765.1000111.1L126 Y178 L185 K186L126-L182 HydrophobicContact CD1-CB 4.21Å; L126-L182 HydrophobicContact CD1-CD1 3.92Å; Y178-L182 HydrophobicContact CE1-CB 4.44Å; Y178-L182 HydrophobicContact CE1-CD2 3.83Å; Y178-L182 WeakPolarHBondContact O-CB 3.45Å; Y178-L182 PolarHBondContact O-N 3.24Å; L182-L185 PolarHBondContact O-N 2.76Å; L182-K186 WeakPolarHBondContact O-CG 3.49Å; L182-K186 PolarHBondContact O-N 3.39Å
183R93.1Very high91.5Very high121 Ų12148.6 Ų48.646%0.45725%0.249SC..Hα-helixtrans-64-47175.7-178.465.5-162.1-163.810.7111.9Y152 P179 I180 I181 L185 K186 D187 F227Y152-R183 HydrophobicContact CD1-CG 4.37Å; Y152-R183 HydrophobicContact CE1-CG 3.67Å; P179-R183 WeakPolarHBondContact O-CB 3.2Å; P179-R183 PolarHBondContact O-N 2.97Å; I180-R183 PolarHBondContact O-N 2.93Å; I181-R183 VanDerWaalsContact C-N 3.27Å; I181-R183 PolarHBondContact O-N 3.01Å; R183-L185 VanDerWaalsContact C-N 3.29Å; R183-L185 PolarHBondContact O-N 2.82Å; R183-K186 PolarHBondContact O-N 2.8Å; R183-D187 IonicContact CZ-OD1 3.73Å; R183-D187 VanDerWaalsContact CZ-OD1 3.28Å; R183-D187 IonicContact CZ-OD2 2.77Å; R183-D187 IonicContact NE-OD1 3.97Å; R183-D187 PolarHBondContact NE-OD1 3.04Å; R183-D187 VanDerWaalsContact NE-OD1 3.13Å; R183-D187 IonicContact NE-OD2 3.13Å; R183-D187 PolarHBondContact NE-OD2 3.32Å; R183-D187 IonicContact NH2-OD1 3.1Å; R183-D187 PolarHBondContact NH2-OD1 2.76Å; R183-D187 IonicContact NH2-OD2 2.66Å; R183-D187 PolarHBondContact O-N 2.78Å; R183-F227 HydrophobicContact CB-CZ 4.24Å; R183-F227 HydrophobicContact CG-CE2 4.43Å; R183-F227 HydrophobicContact CG-CZ 4.41Å
184W95.4Very high91.6Very high0 Ų050.4 Ų50.40%025%0.25CC..Hα-helixtrans-58.5-41.7176.5-176.790000112.2F130 R133 R134 M137 L139 V144 S147 L148 Y152 I180 I181 D187 S188 I197F130-W184 AromaticContact CD2-CE3 3.59Å; F130-W184 HydrophobicContact CD2-CE3 3.59Å; F130-W184 AromaticContact CD2-CZ3 3.62Å; F130-W184 HydrophobicContact CD2-CZ3 3.62Å; F130-W184 HydrophobicContact CE2-CD2 4.09Å; F130-W184 AromaticContact CE2-CE3 3.48Å; F130-W184 HydrophobicContact CE2-CE3 3.48Å; F130-W184 VanDerWaalsContact CE2-CE3 3.48Å; F130-W184 HydrophobicContact CE2-CH2 4.31Å; F130-W184 AromaticContact CE2-CZ3 3.6Å; F130-W184 HydrophobicContact CE2-CZ3 3.6Å; R133-W184 HydrophobicContact CB-CZ3 4.41Å; R133-W184 HydrophobicContact CG-CH2 4.3Å; R133-W184 HydrophobicContact CG-CZ3 3.98Å; R134-W184 HydrophobicContact CB-CH2 4.11Å; M137-W184 HydrophobicContact SD-CH2 4.37Å; L139-W184 HydrophobicContact CD1-CZ2 3.92Å; V144-W184 HydrophobicContact CG1-CZ2 4.28Å; V144-W184 HydrophobicContact CG2-CH2 4.22Å; V144-W184 HydrophobicContact CG2-CZ2 3.77Å; S147-W184 PolarHBondContact OG-NE1 3.2Å; L148-W184 HydrophobicContact CD2-CB 3.85Å; L148-W184 HydrophobicContact CD2-CG 3.86Å; Y152-W184 HydrophobicContact CE2-CB 4.06Å; Y152-W184 WeakPolarHBondContact OH-CA 3.48Å; I180-W184 PolarHBondContact O-N 2.9Å; I181-W184 PolarHBondContact O-N 2.8Å; W184-D187 PolarHBondContact O-N 2.76Å; W184-S188 WeakPolarHBondContact O-CB 3.4Å; W184-S188 PolarHBondContact O-N 3.14Å; W184-I197 HydrophobicContact CZ2-CD1 4.39Å; W184-I197 HydrophobicContact CZ2-CG2 4.3Å
185L95.8Very high91.6Very high9 Ų954 Ų545%0.04727%0.269CS..Hα-helixtrans-60.2-48.3174.1-85.5177.3000112.3L126 T129 F130 R133 I181 L182 R183 D187 S188 E189L126-L185 HydrophobicContact CG-CD1 4.23Å; T129-L185 HydrophobicContact CG2-CD1 4.3Å; T129-L185 HydrophobicContact CG2-CD2 4.26Å; F130-L185 HydrophobicContact CB-CD1 4.07Å; F130-L185 HydrophobicContact CB-CD2 4.4Å; F130-L185 HydrophobicContact CB-CG 4.37Å; F130-L185 HydrophobicContact CD2-CG 4.34Å; R133-L185 HydrophobicContact CB-CD2 3.68Å; R133-L185 HydrophobicContact CG-CD2 3.83Å; I181-L185 HydrophobicContact CG2-CD1 4.49Å; I181-L185 WeakPolarHBondContact O-CB 3.33Å; I181-L185 PolarHBondContact O-N 3.48Å; L182-L185 PolarHBondContact O-N 2.76Å; R183-L185 VanDerWaalsContact C-N 3.29Å; R183-L185 PolarHBondContact O-N 2.82Å; L185-D187 PolarHBondContact O-N 2.83Å; L185-S188 PolarHBondContact O-N 2.89Å; L185-S188 PolarHBondContact O-OG 3.13Å; L185-E189 PolarHBondContact O-N 3.25Å
186K94.3Very high91.7Very high116 Ų11656.1 Ų56.150%0.50428%0.276SS..Hα-helixtrans-60.6-44.9177.6-73.7-179.6179.3-171.80112.2L182 R183 S188 E189L182-K186 WeakPolarHBondContact O-CG 3.49Å; L182-K186 PolarHBondContact O-N 3.39Å; R183-K186 PolarHBondContact O-N 2.8Å; K186-S188 VanDerWaalsContact C-N 3.26Å; K186-S188 PolarHBondContact O-N 3.05Å; K186-E189 WeakPolarHBondContact O-CB 3.42Å; K186-E189 PolarHBondContact O-N 3.3Å
187D93.1Very high91.8Very high34 Ų3450.8 Ų50.818%0.18225%0.253CS..Hα-helixtrans-64.1-36.2178.7-67-25.6000110.3Y152 R183 W184 L185 E189 T190 G193Y152-D187 WeakPolarHBondContact CE1-OD2 3.46Å; Y152-D187 PolarHBondContact OH-OD2 2.91Å; R183-D187 IonicContact CZ-OD1 3.73Å; R183-D187 VanDerWaalsContact CZ-OD1 3.28Å; R183-D187 IonicContact CZ-OD2 2.77Å; R183-D187 IonicContact NE-OD1 3.97Å; R183-D187 PolarHBondContact NE-OD1 3.04Å; R183-D187 VanDerWaalsContact NE-OD1 3.13Å; R183-D187 IonicContact NE-OD2 3.13Å; R183-D187 PolarHBondContact NE-OD2 3.32Å; R183-D187 IonicContact NH2-OD1 3.1Å; R183-D187 PolarHBondContact NH2-OD1 2.76Å; R183-D187 IonicContact NH2-OD2 2.66Å; R183-D187 PolarHBondContact O-N 2.78Å; W184-D187 PolarHBondContact O-N 2.76Å; L185-D187 PolarHBondContact O-N 2.83Å; D187-E189 VanDerWaalsContact C-N 3.25Å; D187-E189 PolarHBondContact O-N 3.16Å; D187-T190 PolarHBondContact O-N 3.28Å; D187-T190 PolarHBondContact O-OG1 2.83Å; D187-T190 VanDerWaalsContact O-OG1 3.05Å; D187-G193 CarbonylContact O-C 3.47Å; D187-G193 WeakPolarHBondContact O-CA 3.47Å
188S92.9Very high91.7Very high0 Ų054.1 Ų54.10%027%0.27CS..THydrogen-bonded Turntrans-69.4-9.7176.878.80000116.1R133 W184 L185 K186 R194R133-S188 VanDerWaalsContact CD-OG 3.28Å; R133-S188 WeakPolarHBondContact CD-OG 3.42Å; R133-S188 VanDerWaalsContact CG-OG 3.22Å; R133-S188 WeakPolarHBondContact CG-OG 3.43Å; R133-S188 PolarHBondContact NE-OG 3.16Å; W184-S188 WeakPolarHBondContact O-CB 3.4Å; W184-S188 PolarHBondContact O-N 3.14Å; L185-S188 PolarHBondContact O-N 2.89Å; L185-S188 PolarHBondContact O-OG 3.13Å; K186-S188 VanDerWaalsContact C-N 3.26Å; K186-S188 PolarHBondContact O-N 3.05Å; S188-R194 VanDerWaalsContact O-CD 3.3Å; S188-R194 WeakPolarHBondContact O-CD 3.33Å; S188-R194 WeakPolarHBondContact O-CG 3.43Å
189E91.7Very high91.6Very high121 Ų12160.1 Ų60.157%0.56529%0.292SS*.THydrogen-bonded Turntrans-78.5-29.9176.6-74.7168.5179.200112.1R133 L185 K186 D187R133-E189 IonicContact NH2-OE1 3.02Å; L185-E189 PolarHBondContact O-N 3.25Å; K186-E189 WeakPolarHBondContact O-CB 3.42Å; K186-E189 PolarHBondContact O-N 3.3Å; D187-E189 VanDerWaalsContact C-N 3.25Å; D187-E189 PolarHBondContact O-N 3.16Å
190T92.4Very high91.5Very high75 Ų7557.6 Ų57.646%0.4628%0.276SS..SBendtrans-87148.3179.364.90000111.3D187 G193 R194D187-T190 PolarHBondContact O-N 3.28Å; D187-T190 PolarHBondContact O-OG1 2.83Å; D187-T190 VanDerWaalsContact O-OG1 3.05Å; T190-G193 PolarHBondContact O-N 2.87Å; T190-G193 WeakPolarHBondContact OG1-CA 3.47Å; T190-G193 PolarHBondContact OG1-N 3.29Å; T190-R194 WeakPolarHBondContact O-CG 3.32Å; T190-R194 PolarHBondContact O-N 2.99Å
191A88.1Confident91.2Very high60 Ų6058 Ų5850%0.49628%0.279SS..Hα-helixtrans-60.7-47.8175.200000111.6G193 R194 D195A191-G193 VanDerWaalsContact C-N 3.34Å; A191-G193 PolarHBondContact O-N 2.98Å; A191-R194 PolarHBondContact O-N 3.32Å; A191-D195 PolarHBondContact O-N 3.13Å
192D89.8Confident90.6Very high88 Ų8860.8 Ų60.847%0.47130%0.296SS..Hα-helixtrans-59.3-41.2177174.959.7000112.7D195 K196D192-D195 PolarHBondContact O-N 3.39Å; D192-K196 WeakPolarHBondContact O-CG 3.19Å; D192-K196 PolarHBondContact O-N 3.05Å; D192-K196 IonicContact OD1-NZ 3.06Å; D192-K196 VanDerWaalsContact OD2-CE 3.23Å; D192-K196 WeakPolarHBondContact OD2-CE 3.41Å; D192-K196 IonicContact OD2-NZ 3.1Å; D192-K196 PolarHBondContact OD2-NZ 2.85Å
193G90.4Very high90Very high5 Ų561.4 Ų61.45%0.05230%0.299CS..Hα-helixtrans-70.2-35.9177.300000113.4D187 T190 A191 K196 I197D187-G193 CarbonylContact O-C 3.47Å; D187-G193 WeakPolarHBondContact O-CA 3.47Å; T190-G193 PolarHBondContact O-N 2.87Å; T190-G193 WeakPolarHBondContact OG1-CA 3.47Å; T190-G193 PolarHBondContact OG1-N 3.29Å; A191-G193 VanDerWaalsContact C-N 3.34Å; A191-G193 PolarHBondContact O-N 2.98Å; G193-K196 PolarHBondContact O-N 3.27Å; G193-I197 VanDerWaalsContact O-CG1 3.31Å; G193-I197 WeakPolarHBondContact O-CG1 3.48Å; G193-I197 PolarHBondContact O-N 3.08Å
194R90.1Very high89.3Confident113 Ų11358.3 Ų58.343%0.42629%0.289SS..Hα-helixtrans-61-44.5170-72.5-172.6-72.9154.2-2.1111.5M137 S188 T190 A191 K196 I197 I198M137-R194 HydrophobicContact CE-CB 3.95Å; M137-R194 HydrophobicContact CE-CG 3.75Å; M137-R194 HydrophobicContact SD-CG 4.18Å; S188-R194 VanDerWaalsContact O-CD 3.3Å; S188-R194 WeakPolarHBondContact O-CD 3.33Å; S188-R194 WeakPolarHBondContact O-CG 3.43Å; T190-R194 WeakPolarHBondContact O-CG 3.32Å; T190-R194 PolarHBondContact O-N 2.99Å; A191-R194 PolarHBondContact O-N 3.32Å; R194-K196 VanDerWaalsContact C-N 3.33Å; R194-K196 PolarHBondContact O-N 3.21Å; R194-I197 PolarHBondContact O-N 3.2Å; R194-I198 WeakPolarHBondContact O-CG1 3.44Å; R194-I198 PolarHBondContact O-N 3.23Å
195D88.2Confident88.2Confident79 Ų7963.2 Ų63.242%0.42231%0.312SS..Hα-helixtrans-62.3-40.4177.5-71.8-8.3000111.8A191 D192 I198 R199A191-D195 PolarHBondContact O-N 3.13Å; D192-D195 PolarHBondContact O-N 3.39Å; D195-I198 PolarHBondContact O-N 3.48Å; D195-R199 WeakPolarHBondContact O-CB 3.3Å; D195-R199 VanDerWaalsContact O-CG 3.3Å; D195-R199 WeakPolarHBondContact O-CG 3.43Å; D195-R199 PolarHBondContact O-N 3.41Å
196K91.1Very high87.1Confident99 Ų9967.3 Ų67.343%0.4333%0.334SS..Hα-helixtrans-61.1-42.6173.3-75167.6178.1165.30112.4L151 D192 G193 R194 A200L151-K196 HydrophobicContact CD2-CB 4.27Å; D192-K196 WeakPolarHBondContact O-CG 3.19Å; D192-K196 PolarHBondContact O-N 3.05Å; D192-K196 IonicContact OD1-NZ 3.06Å; D192-K196 VanDerWaalsContact OD2-CE 3.23Å; D192-K196 WeakPolarHBondContact OD2-CE 3.41Å; D192-K196 IonicContact OD2-NZ 3.1Å; D192-K196 PolarHBondContact OD2-NZ 2.85Å; G193-K196 PolarHBondContact O-N 3.27Å; R194-K196 VanDerWaalsContact C-N 3.33Å; R194-K196 PolarHBondContact O-N 3.21Å; K196-A200 WeakPolarHBondContact O-CB 3.28Å; K196-A200 PolarHBondContact O-N 3.44Å
197I88.9Confident85.9Confident1 Ų166.4 Ų66.41%0.00534%0.335CS..Hα-helixtrans-62.7-47.2176.1-68.1163.8000110.3M137 L139 L151 W184 G193 R194 A200 V201M137-I197 HydrophobicContact CE-CB 4.23Å; M137-I197 HydrophobicContact CE-CD1 4.29Å; M137-I197 HydrophobicContact CE-CG2 4.04Å; L139-I197 HydrophobicContact CD1-CG2 3.66Å; L151-I197 HydrophobicContact CD1-CB 4.43Å; L151-I197 HydrophobicContact CD1-CG1 3.65Å; W184-I197 HydrophobicContact CZ2-CD1 4.39Å; W184-I197 HydrophobicContact CZ2-CG2 4.3Å; G193-I197 VanDerWaalsContact O-CG1 3.31Å; G193-I197 WeakPolarHBondContact O-CG1 3.48Å; G193-I197 PolarHBondContact O-N 3.08Å; R194-I197 PolarHBondContact O-N 3.2Å; I197-A200 WeakPolarHBondContact O-CB 3.38Å; I197-A200 PolarHBondContact O-N 3.22Å; I197-V201 VanDerWaalsContact O-CG2 3.32Å; I197-V201 WeakPolarHBondContact O-CG2 3.28Å; I197-V201 PolarHBondContact O-N 2.84Å; I197-V201 VanDerWaalsContact O-N 3.1Å
198I88.9Confident84.2Confident78 Ų7871.1 Ų71.140%0.436%0.36SS..Hα-helixtrans-64.1-45.8-180-65.9166.4000110.8R194 D195 A200 V201 V202R194-I198 WeakPolarHBondContact O-CG1 3.44Å; R194-I198 PolarHBondContact O-N 3.23Å; D195-I198 PolarHBondContact O-N 3.48Å; I198-A200 VanDerWaalsContact C-N 3.32Å; I198-A200 PolarHBondContact O-N 3.17Å; I198-V201 WeakPolarHBondContact O-CB 3.46Å; I198-V201 PolarHBondContact O-N 3.1Å; I198-V201 VanDerWaalsContact O-N 3.08Å; I198-V202 HydrophobicContact CG2-CG2 4.42Å; I198-V202 WeakPolarHBondContact O-CG2 3.49Å; I198-V202 PolarHBondContact O-N 3.26Å
199R87.9Confident82.3Confident156 Ų15677.6 Ų77.659%0.58939%0.394SS*.Hα-helixtrans-57.4-44.8175.1-75.4177.5-171.6157.86.8111.8D195 V201 V202 D203D195-R199 WeakPolarHBondContact O-CB 3.3Å; D195-R199 VanDerWaalsContact O-CG 3.3Å; D195-R199 WeakPolarHBondContact O-CG 3.43Å; D195-R199 PolarHBondContact O-N 3.41Å; R199-V201 PolarHBondContact O-N 2.94Å; R199-V202 PolarHBondContact O-N 2.79Å; R199-D203 WeakPolarHBondContact O-CB 3.44Å; R199-D203 VanDerWaalsContact O-CG 3.29Å; R199-D203 PolarHBondContact O-N 3.41Å
200A89Confident80.2Confident3 Ų377.5 Ų77.53%0.02540%0.398CS..Hα-helixtrans-59.9-35.6176.900000112.8K150 L151 K196 I197 I198 F204K150-A200 HydrophobicContact CB-CB 3.82Å; K150-A200 HydrophobicContact CG-CB 3.79Å; L151-A200 HydrophobicContact CD2-CB 4.18Å; L151-A200 HydrophobicContact CG-CB 4.09Å; K196-A200 WeakPolarHBondContact O-CB 3.28Å; K196-A200 PolarHBondContact O-N 3.44Å; I197-A200 WeakPolarHBondContact O-CB 3.38Å; I197-A200 PolarHBondContact O-N 3.22Å; I198-A200 VanDerWaalsContact C-N 3.32Å; I198-A200 PolarHBondContact O-N 3.17Å; A200-F204 WeakPolarHBondContact O-CD2 3.29Å
201V85.5Confident77.4Confident8 Ų882 Ų825%0.04842%0.419CS..Hα-helixtrans-69.3-47.1176.41720000111.2L139 D143 I197 I198 R199 D203 F204 Q205L139-V201 HydrophobicContact CD2-CG2 4.27Å; D143-V201 HydrophobicContact CB-CB 4.39Å; D143-V201 HydrophobicContact CB-CG1 3.69Å; D143-V201 HydrophobicContact CB-CG2 3.71Å; D143-V201 WeakPolarHBondContact O-CG2 3.45Å; D143-V201 WeakPolarHBondContact OD1-CG1 3.47Å; I197-V201 VanDerWaalsContact O-CG2 3.32Å; I197-V201 WeakPolarHBondContact O-CG2 3.28Å; I197-V201 PolarHBondContact O-N 2.84Å; I197-V201 VanDerWaalsContact O-N 3.1Å; I198-V201 WeakPolarHBondContact O-CB 3.46Å; I198-V201 PolarHBondContact O-N 3.1Å; I198-V201 VanDerWaalsContact O-N 3.08Å; R199-V201 PolarHBondContact O-N 2.94Å; V201-D203 PolarHBondContact O-N 3.29Å; V201-F204 PolarHBondContact O-N 3.16Å; V201-Q205 PolarHBondContact O-N 2.92Å
202V82.5Confident75.3Confident59 Ų5984.7 Ų84.736%0.35843%0.43SS..Hα-helixtrans-63.1-41.3179.6174.80000111.5I198 R199 F204 Q205 N206I198-V202 HydrophobicContact CG2-CG2 4.42Å; I198-V202 WeakPolarHBondContact O-CG2 3.49Å; I198-V202 PolarHBondContact O-N 3.26Å; R199-V202 PolarHBondContact O-N 2.79Å; V202-F204 PolarHBondContact O-N 3.39Å; V202-Q205 PolarHBondContact O-N 3.32Å; V202-Q205 VanDerWaalsContact O-N 3.1Å; V202-N206 PolarHBondContact O-N 2.84Å
203D80.9Confident72.8Confident65 Ų6591 Ų9135%0.34845%0.453SS..Hα-helixtrans-56.4-36.5176.2-77.8-3.8000112.8K150 R199 V201 N207K150-D203 WeakPolarHBondContact CE-OD2 3.25Å; K150-D203 IonicContact NZ-OD2 3.79Å; R199-D203 WeakPolarHBondContact O-CB 3.44Å; R199-D203 VanDerWaalsContact O-CG 3.29Å; R199-D203 PolarHBondContact O-N 3.41Å; V201-D203 PolarHBondContact O-N 3.29Å; D203-N207 PolarHBondContact O-N 2.98Å; D203-N207 VanDerWaalsContact O-N 3.14Å; D203-N207 PolarHBondContact O-ND2 2.65Å
204F77.9Confident70.2Confident56 Ų5695.3 Ų95.325%0.24648%0.482CS..Hα-helixtrans-73-36.5178-97.3-74.7000112.4N146 K150 A200 V201 V202 N208N146-F204 HydrophobicContact CB-CB 4.17Å; N146-F204 HydrophobicContact CB-CD1 4.48Å; N146-F204 HydrophobicContact CB-CD2 3.58Å; N146-F204 HydrophobicContact CB-CE2 4Å; N146-F204 HydrophobicContact CB-CG 3.84Å; N146-F204 WeakPolarHBondContact O-CE2 3.45Å; K150-F204 HydrophobicContact CB-CD2 4.49Å; K150-F204 HydrophobicContact CB-CE2 3.9Å; A200-F204 WeakPolarHBondContact O-CD2 3.29Å; V201-F204 PolarHBondContact O-N 3.16Å; V202-F204 PolarHBondContact O-N 3.39Å; F204-N208 PolarHBondContact O-N 3.04Å
205Q73.8Confident67.9Low102 Ų10295.1 Ų95.148%0.47750%0.495SS..Hα-helixtrans-66.4-40.6176.4-67.1175-18.100110.9V201 V202 N208V201-Q205 PolarHBondContact O-N 2.92Å; V202-Q205 PolarHBondContact O-N 3.32Å; V202-Q205 VanDerWaalsContact O-N 3.1Å; Q205-N208 PolarHBondContact O-N 3.32Å
206N72.2Confident65.8Low96 Ų9696.7 Ų96.751%0.51351%0.508SS..Hα-helixtrans-69.8-37.3178.4-70-21.1000113V202 N208 N209V202-N206 PolarHBondContact O-N 2.84Å; N206-N208 VanDerWaalsContact C-N 3.31Å; N206-N208 PolarHBondContact O-N 3.09Å; N206-N209 PolarHBondContact O-N 3.4Å
207N68.3Low63.3Low96 Ų96101.5 Ų101.551%0.51353%0.528SS..Hα-helixtrans-68.6-25.9178.1-89.5-45.4000113.8D203 N209 N210D203-N207 PolarHBondContact O-N 2.98Å; D203-N207 VanDerWaalsContact O-N 3.14Å; D203-N207 PolarHBondContact O-ND2 2.65Å; N207-N209 PolarHBondContact O-N 3.3Å; N207-N210 PolarHBondContact O-N 2.85Å
208N58.2Low60.7Low133 Ų133104.6 Ų104.671%0.71156%0.561SS**THydrogen-bonded Turntrans-71.1-13.3176.7-80.5-16.3000113.5F204 Q205 N206F204-N208 PolarHBondContact O-N 3.04Å; Q205-N208 PolarHBondContact O-N 3.32Å; N206-N208 VanDerWaalsContact C-N 3.31Å; N206-N208 PolarHBondContact O-N 3.09Å
209N52.2Low58.2Low136 Ų136104.7 Ų104.773%0.72757%0.569SS**THydrogen-bonded Turntrans-91-8.6176.3-73-18.3000113.7N206 N207N206-N209 PolarHBondContact O-N 3.4Å; N207-N209 PolarHBondContact O-N 3.3Å
210N47.7Very low56Low119 Ų119103.2 Ų103.264%0.63658%0.579SS**SBendtrans-110.494.3176.2-77.2-24.9000109.8N207 T212N207-N210 PolarHBondContact O-N 2.85Å; N210-T212 VanDerWaalsContact C-N 3.31Å; N210-T212 PolarHBondContact O-N 3.11Å
211D34.8Very low53.8Low170 Ų170111.9 Ų111.991%0.90962%0.619SS**  trans-55.785.4170-103.4-32.3000111.3
212T42.3Very low51.8Low117 Ų117114.1 Ų114.172%0.71864%0.638SS**  trans-149.8118.3154.841.10000111.1N210 S214N210-T212 VanDerWaalsContact C-N 3.31Å; N210-T212 PolarHBondContact O-N 3.11Å; T212-S214 PolarHBondContact O-N 2.87Å
213K37.4Very low50Low221 Ų221120.4 Ų120.496%0.96166%0.664SS**  trans-6367.1169.1-68.1171.6176.7167.60111.8
214S37.1Very low48.5Very low94 Ų94119.3 Ų119.366%0.65766%0.661SS**  trans-109.3118.9170.1-110.90000110.1T212 V216T212-S214 PolarHBondContact O-N 2.87Å; S214-V216 PolarHBondContact O-N 3.48Å
215P41.5Very low47.5Very low109 Ų109121.9 Ų121.971%0.70868%0.684SS**  trans-65.8111.1174.925.3-27.1000107.5K217P215-K217 PolarHBondContact O-N 3.19Å
216V43.6Very low46.7Very low112 Ų112122 Ų12268%0.67969%0.691SS**  trans-51.5101.5174.7178.20000108.5S214 G218S214-V216 PolarHBondContact O-N 3.48Å; V216-G218 PolarHBondContact O-N 3.29Å
217K39.5Very low46.3Very low200 Ų200118.4 Ų118.487%0.8767%0.671SS**  trans-71.3116.5164.4-84.3-178.7173.4179.40106.7P215P215-K217 PolarHBondContact O-N 3.19Å
218G33.1Very low45.8Very low66 Ų66117.4 Ų117.468%0.6867%0.671SS**  trans5093.7152.900000117.9V216V216-G218 PolarHBondContact O-N 3.29Å
219S37Very low45.9Very low81 Ų81120.4 Ų120.457%0.56668%0.678SS**  trans-82.7119.9145.9-59.90000107.8Q221S219-Q221 PolarHBondContact O-N 3.1Å
220P41.2Very low46.4Very low124 Ų124116.1 Ų116.181%0.80565%0.653SS**  trans-7821.6-169.5-14.730.6000116.5
221Q42.1Very low46.9Very low186 Ų186113.8 Ų113.887%0.86965%0.646SS**SBendtrans-129.979.8-171.5-76.3-173-27.800111.7S219S219-Q221 PolarHBondContact O-N 3.1Å
222A44.4Very low48.1Very low55 Ų55114.9 Ų114.946%0.45564%0.638SS.*  trans154.748.2147.700000111.5L151 S224L151-A222 WeakPolarHBondContact O-CB 3.23Å; A222-S224 PolarHBondContact O-N 3.18Å
223E44.7Very low49.2Very low190 Ų190119.5 Ų119.589%0.88864%0.642SS**  trans-74.270.3162.5-62.9-162.4-150.900109P225E223-P225 VanDerWaalsContact O-CD 3.26Å; E223-P225 WeakPolarHBondContact O-CD 3.17Å
224S49.3Very low50.8Low43 Ų43119.6 Ų119.630%0.30164%0.636SS.*  trans-71.3116.7161.5480000106.7A222 V226 F227A222-S224 PolarHBondContact O-N 3.18Å; S224-V226 PolarHBondContact O-N 3.45Å; S224-F227 PolarHBondContact O-N 2.74Å; S224-F227 WeakPolarHBondContact OG-CD2 3.44Å
225P56.4Low52.5Low110 Ų110120.9 Ų120.971%0.71464%0.642SS**THydrogen-bonded Turntrans-55.4-22.2-175.3-25.533.7000113E223 F227 S228E223-P225 VanDerWaalsContact O-CD 3.26Å; E223-P225 WeakPolarHBondContact O-CD 3.17Å; P225-F227 VanDerWaalsContact C-N 3.31Å; P225-F227 PolarHBondContact O-N 3.43Å; P225-S228 PolarHBondContact O-OG 3.13Å
226V58.4Low54.2Low103 Ų103126.5 Ų126.562%0.62465%0.649SS**THydrogen-bonded Turntrans-58.4-36.3179.1-172.20000112.7S224S224-V226 PolarHBondContact O-N 3.45Å
227F63.9Low56.2Low22 Ų22125.2 Ų125.210%0.09664%0.642CS.*THydrogen-bonded Turntrans-104.6-3.1-173.7-55.3-58000114.9V154 P179 I180 R183 S224 P225 K229 F230V154-F227 HydrophobicContact CG2-CB 4.01Å; V154-F227 HydrophobicContact CG2-CG 4.48Å; P179-F227 HydrophobicContact CB-CE1 4.26Å; I180-F227 HydrophobicContact CB-CE1 4.37Å; I180-F227 HydrophobicContact CD1-CD1 4.25Å; I180-F227 HydrophobicContact CD1-CD2 4.47Å; I180-F227 HydrophobicContact CD1-CE1 4.16Å; I180-F227 HydrophobicContact CD1-CE2 4.41Å; I180-F227 HydrophobicContact CD1-CG 4.42Å; I180-F227 HydrophobicContact CD1-CZ 4.26Å; R183-F227 HydrophobicContact CB-CZ 4.24Å; R183-F227 HydrophobicContact CG-CE2 4.43Å; R183-F227 HydrophobicContact CG-CZ 4.41Å; S224-F227 PolarHBondContact O-N 2.74Å; S224-F227 WeakPolarHBondContact OG-CD2 3.44Å; P225-F227 VanDerWaalsContact C-N 3.31Å; P225-F227 PolarHBondContact O-N 3.43Å; F227-K229 PolarHBondContact O-N 2.91Å; F227-K229 VanDerWaalsContact O-N 3.1Å; F227-F230 HydrophobicContact CB-CD2 4.12Å; F227-F230 AromaticContact CD1-CD2 3.92Å; F227-F230 HydrophobicContact CD1-CD2 3.92Å; F227-F230 AromaticContact CD1-CE2 3.91Å; F227-F230 HydrophobicContact CD1-CE2 3.91Å; F227-F230 WeakPolarHBondContact O-CB 3.35Å; F227-F230 PolarHBondContact O-N 2.73Å
228S56.2Low58.6Low75 Ų75121.3 Ų121.352%0.52463%0.634SS.*G310 helixtrans-51-36177.261.30000113.1P225 F230 S231P225-S228 PolarHBondContact O-OG 3.13Å; S228-F230 PolarHBondContact O-N 3.22Å; S228-F230 VanDerWaalsContact O-N 3.16Å; S228-S231 VanDerWaalsContact O-CB 3.22Å; S228-S231 WeakPolarHBondContact O-CB 3.38Å; S228-S231 PolarHBondContact O-N 2.89Å; S228-S231 VanDerWaalsContact O-N 3.13Å
229K61.6Low61.3Low196 Ų196119 Ų11985%0.85261%0.606SS**G310 helixtrans-64.4-16176.7-63.6-175.6-177177.70114.2F227F227-K229 PolarHBondContact O-N 2.91Å; F227-K229 VanDerWaalsContact O-N 3.1Å
230F62.1Low63.9Low45 Ų45118.5 Ų118.520%0.19760%0.601CS.*G310 helixtrans-95.20.4178.2-59.6-67.1000113.7V154 K176 F227 S228V154-F230 HydrophobicContact CB-CB 4.47Å; V154-F230 HydrophobicContact CG1-CB 3.93Å; V154-F230 HydrophobicContact CG1-CG 4.44Å; V154-F230 HydrophobicContact CG2-CB 3.88Å; V154-F230 HydrophobicContact CG2-CD2 4.42Å; V154-F230 HydrophobicContact CG2-CG 4.48Å; K176-F230 HydrophobicContact CB-CE1 4.41Å; K176-F230 WeakPolarHBondContact O-CE1 3.33Å; K176-F230 WeakPolarHBondContact O-CZ 3.4Å; F227-F230 HydrophobicContact CB-CD2 4.12Å; F227-F230 AromaticContact CD1-CD2 3.92Å; F227-F230 HydrophobicContact CD1-CD2 3.92Å; F227-F230 AromaticContact CD1-CE2 3.91Å; F227-F230 HydrophobicContact CD1-CE2 3.91Å; F227-F230 WeakPolarHBondContact O-CB 3.35Å; F227-F230 PolarHBondContact O-N 2.73Å; S228-F230 PolarHBondContact O-N 3.22Å; S228-F230 VanDerWaalsContact O-N 3.16Å
231S58.8Low66.3Low71 Ų71116.8 Ų116.850%0.49759%0.585SS.*  trans-65.4142.1-173.5-171.50000114S228S228-S231 VanDerWaalsContact O-CB 3.22Å; S228-S231 WeakPolarHBondContact O-CB 3.38Å; S228-S231 PolarHBondContact O-N 2.89Å; S228-S231 VanDerWaalsContact O-N 3.13Å
232R59.9Low68.8Low193 Ų193111.3 Ų111.373%0.72857%0.568SS**  trans20.991.4175.7-64.8-168.3-70.7-167.5-2.2117.3
233R65.1Low71.2Confident214 Ų214109.2 Ų109.281%0.80855%0.549SS*.PPolyproline II helixtrans-69.5143.2163.5-58-172.378.2-169.14.6110.2
234R70Confident73.6Confident223 Ų223104.8 Ų104.884%0.84252%0.524SS*.PPolyproline II helixtrans-58.2134.2171.3-68-175.1179.8-157.6-0.9110
235P74Confident75.8Confident120 Ų120110.6 Ų110.678%0.77954%0.54SS*.PPolyproline II helixtrans-54.8149.4172.6-25.434.4000111.6T237P235-T237 PolarHBondContact O-N 2.88Å
236R77.6Confident77.6Confident228 Ų228107.2 Ų107.286%0.8651%0.514SS*.PPolyproline II helixtrans-73.4119.3178.3-175-178.6-174.598.60.3109.6V238R236-V238 PolarHBondContact O-N 3.26Å
237T85.9Confident79.4Confident85 Ų85102.3 Ų102.352%0.52149%0.485SS..PPolyproline II helixtrans-71.6128172.1-44.10000111.1P235 I275P235-T237 PolarHBondContact O-N 2.88Å; T237-I275 HydrophobicContact CG2-CD1 3.88Å
238V89Confident81Confident117 Ų117105.1 Ų105.171%0.70950%0.498SS*.  trans-95.4111.5170.5-178.20000107.8R236R236-V238 PolarHBondContact O-N 3.26Å
239L88.8Confident82.9Confident19 Ų19106.2 Ų106.210%0.09949%0.491CS..  trans-75.6135.7174.3-69169.9000109.5T243 R244 L247 V271 I275 W279L239-T243 HydrophobicContact CD2-CG2 4.17Å; L239-R244 HydrophobicContact CB-CG 3.79Å; L239-R244 PolarHBondContact O-NE 3.47Å; L239-R244 PolarHBondContact O-NH2 2.76Å; L239-L247 HydrophobicContact CD1-CD1 3.93Å; L239-V271 HydrophobicContact CD2-CG1 3.86Å; L239-V271 HydrophobicContact CD2-CG2 4.16Å; L239-I275 HydrophobicContact CD1-CG2 4.32Å; L239-I275 HydrophobicContact CD2-CG2 3.87Å; L239-I275 HydrophobicContact CG-CG2 4.33Å; L239-W279 HydrophobicContact CD1-CG 4.41Å
240P91.8Very high84.5Confident69 Ų6997.8 Ų97.845%0.44845%0.454SS..  trans-57154.4171.1-24.434000112.5S242 T243 R244P240-S242 VanDerWaalsContact C-N 3.31Å; P240-S242 PolarHBondContact O-N 3.43Å; P240-T243 PolarHBondContact O-N 3.03Å; P240-R244 PolarHBondContact O-N 3.37Å
241D92.5Very high86.1Confident88 Ų8896.6 Ų96.647%0.47145%0.449SS..Hα-helixtrans-60.2-39.5-179.9-75.4-3.1000112.4R244 R245D241-R244 PolarHBondContact O-N 2.96Å; D241-R244 IonicContact OD1-CZ 2.65Å; D241-R244 IonicContact OD1-NH1 3.1Å; D241-R244 PolarHBondContact OD1-NH1 3.27Å; D241-R244 IonicContact OD1-NH2 3.04Å; D241-R244 PolarHBondContact OD1-NH2 2.92Å; D241-R245 WeakPolarHBondContact O-CG 3.3Å; D241-R245 PolarHBondContact O-N 2.8Å
242S94Very high87.8Confident72 Ų72102.4 Ų102.450%0.50346%0.46SS..Hα-helixtrans-58.6-49.6176.251.80000111.7P240 R244 R245 E246P240-S242 VanDerWaalsContact C-N 3.31Å; P240-S242 PolarHBondContact O-N 3.43Å; S242-R244 VanDerWaalsContact C-N 3.35Å; S242-R244 PolarHBondContact O-N 2.92Å; S242-R245 PolarHBondContact O-N 3.48Å; S242-E246 PolarHBondContact O-N 3.31Å; S242-E246 VanDerWaalsContact O-N 3.07Å
243T94.5Very high89.4Confident11 Ų1198.9 Ų98.97%0.06745%0.452CS..Hα-helixtrans-60-44175.9-48.20000111.4L239 P240 R245 E246 L247 L269 V271L239-T243 HydrophobicContact CD2-CG2 4.17Å; P240-T243 PolarHBondContact O-N 3.03Å; T243-R245 PolarHBondContact O-N 3.35Å; T243-E246 PolarHBondContact O-N 3.22Å; T243-L247 HydrophobicContact CG2-CD1 4.18Å; T243-L247 WeakPolarHBondContact O-CB 3.32Å; T243-L247 VanDerWaalsContact O-CG 3.28Å; T243-L247 WeakPolarHBondContact O-CG 3.16Å; T243-L247 PolarHBondContact O-N 3.32Å; T243-L269 HydrophobicContact CG2-CB 4.33Å; T243-L269 HydrophobicContact CG2-CD1 4Å; T243-L269 HydrophobicContact CG2-CD2 4.38Å; T243-L269 HydrophobicContact CG2-CG 4.48Å; T243-V271 HydrophobicContact CG2-CG2 3.92Å
244R94.8Very high90.6Very high97 Ų9793.7 Ų93.737%0.36644%0.436SS..Hα-helixtrans-61.7-42.1177.7-75.7-171.8-108.1119.73.9112.1L239 P240 D241 S242 L247 E248L239-R244 HydrophobicContact CB-CG 3.79Å; L239-R244 PolarHBondContact O-NE 3.47Å; L239-R244 PolarHBondContact O-NH2 2.76Å; P240-R244 PolarHBondContact O-N 3.37Å; D241-R244 PolarHBondContact O-N 2.96Å; D241-R244 IonicContact OD1-CZ 2.65Å; D241-R244 IonicContact OD1-NH1 3.1Å; D241-R244 PolarHBondContact OD1-NH1 3.27Å; D241-R244 IonicContact OD1-NH2 3.04Å; D241-R244 PolarHBondContact OD1-NH2 2.92Å; S242-R244 VanDerWaalsContact C-N 3.35Å; S242-R244 PolarHBondContact O-N 2.92Å; R244-L247 PolarHBondContact O-N 3.05Å; R244-E248 PolarHBondContact O-N 3.48Å
245R95.6Very high91.6Very high165 Ų16587.2 Ų87.262%0.62342%0.419SS*.Hα-helixtrans-63.1-44.1177-73.9-171.9-67.4-103.24.9112.2D241 S242 T243 E248 R249D241-R245 WeakPolarHBondContact O-CG 3.3Å; D241-R245 PolarHBondContact O-N 2.8Å; S242-R245 PolarHBondContact O-N 3.48Å; T243-R245 PolarHBondContact O-N 3.35Å; R245-E248 PolarHBondContact O-N 3.31Å; R245-R249 PolarHBondContact O-N 3.37Å
246E95.4Very high92.4Very high39 Ų3988.6 Ų88.618%0.18241%0.412CS..Hα-helixtrans-66.5-41.4178.7-177.664176.700111.8S242 T243 E248 R249 I250 K268 L269S242-E246 PolarHBondContact O-N 3.31Å; S242-E246 VanDerWaalsContact O-N 3.07Å; T243-E246 PolarHBondContact O-N 3.22Å; E246-E248 VanDerWaalsContact C-N 3.31Å; E246-E248 PolarHBondContact O-N 3.15Å; E246-R249 WeakPolarHBondContact O-CB 3.36Å; E246-R249 PolarHBondContact O-N 3.41Å; E246-R249 IonicContact OE1-CZ 3.6Å; E246-R249 IonicContact OE1-NE 2.8Å; E246-R249 IonicContact OE1-NH2 3.54Å; E246-R249 PolarHBondContact OE1-NH2 2.89Å; E246-R249 IonicContact OE2-CZ 3.63Å; E246-R249 IonicContact OE2-NE 3.26Å; E246-R249 PolarHBondContact OE2-NE 3.34Å; E246-R249 IonicContact OE2-NH2 3.73Å; E246-I250 HydrophobicContact CG-CD1 4.12Å; E246-I250 WeakPolarHBondContact O-CG1 3.31Å; E246-I250 PolarHBondContact O-N 3.49Å; E246-K268 IonicContact OE1-NZ 2.9Å; E246-K268 PolarHBondContact OE1-NZ 2.96Å; E246-L269 HydrophobicContact CB-CD2 4.08Å; E246-L269 HydrophobicContact CG-CD2 3.84Å
247L96.3Very high93.1Very high0 Ų079.1 Ų79.10%038%0.379CS..Hα-helixtrans-59.5-41.1173.3-71.6172.2000111.9L239 T243 R244 Y251 L265 L269 I276 W279 F280L239-L247 HydrophobicContact CD1-CD1 3.93Å; T243-L247 HydrophobicContact CG2-CD1 4.18Å; T243-L247 WeakPolarHBondContact O-CB 3.32Å; T243-L247 VanDerWaalsContact O-CG 3.28Å; T243-L247 WeakPolarHBondContact O-CG 3.16Å; T243-L247 PolarHBondContact O-N 3.32Å; R244-L247 PolarHBondContact O-N 3.05Å; L247-Y251 VanDerWaalsContact O-CB 3.26Å; L247-Y251 WeakPolarHBondContact O-CB 3.33Å; L247-Y251 PolarHBondContact O-N 3.07Å; L247-L265 HydrophobicContact CD2-CD2 3.94Å; L247-L269 HydrophobicContact CD2-CD1 3.76Å; L247-L269 HydrophobicContact CG-CD1 3.96Å; L247-I276 HydrophobicContact CD2-CG1 4.42Å; L247-I276 HydrophobicContact CD2-CG2 3.92Å; L247-W279 VanDerWaalsContact C-CH2 3.4Å; L247-W279 HydrophobicContact CB-CD2 3.99Å; L247-W279 HydrophobicContact CB-CE3 3.93Å; L247-W279 HydrophobicContact CB-CH2 3.66Å; L247-W279 HydrophobicContact CB-CZ2 3.66Å; L247-W279 HydrophobicContact CB-CZ3 3.79Å; L247-W279 HydrophobicContact CD1-CB 4.47Å; L247-W279 HydrophobicContact CD1-CD2 3.83Å; L247-W279 HydrophobicContact CD1-CE3 4.34Å; L247-W279 HydrophobicContact CD1-CG 3.85Å; L247-W279 HydrophobicContact CD2-CE3 4.37Å; L247-W279 HydrophobicContact CG-CD2 4.39Å; L247-W279 HydrophobicContact CG-CE3 4.46Å; L247-W279 WeakPolarHBondContact O-CH2 3.34Å; L247-F280 HydrophobicContact CD2-CE2 3.84Å
248E96.2Very high93.4Very high80 Ų8077.7 Ų77.737%0.37437%0.372SS..Hα-helixtrans-64.8-41.7174.4-78.4-161.7-176.200113.4R244 R245 E246 Y251 R252 W279R244-E248 PolarHBondContact O-N 3.48Å; R245-E248 PolarHBondContact O-N 3.31Å; E246-E248 VanDerWaalsContact C-N 3.31Å; E246-E248 PolarHBondContact O-N 3.15Å; E248-Y251 PolarHBondContact O-N 2.76Å; E248-R252 WeakPolarHBondContact O-CG 3.35Å; E248-R252 PolarHBondContact O-N 3.34Å; E248-R252 VanDerWaalsContact O-N 3.14Å; E248-R252 IonicContact OE2-NH2 2.75Å; E248-R252 PolarHBondContact OE2-NH2 3.44Å; E248-W279 HydrophobicContact CG-CH2 4.17Å; E248-W279 HydrophobicContact CG-CZ2 3.94Å
249R96.4Very high93.6Very high99 Ų9975.2 Ų75.237%0.37436%0.364SS..Hα-helixtrans-58.3-49.4177.2-171-168.966.370.11.4110.5R245 E246 R252R245-R249 PolarHBondContact O-N 3.37Å; E246-R249 WeakPolarHBondContact O-CB 3.36Å; E246-R249 PolarHBondContact O-N 3.41Å; E246-R249 IonicContact OE1-CZ 3.6Å; E246-R249 IonicContact OE1-NE 2.8Å; E246-R249 IonicContact OE1-NH2 3.54Å; E246-R249 PolarHBondContact OE1-NH2 2.89Å; E246-R249 IonicContact OE2-CZ 3.63Å; E246-R249 IonicContact OE2-NE 3.26Å; E246-R249 PolarHBondContact OE2-NE 3.34Å; E246-R249 IonicContact OE2-NH2 3.73Å; R249-R252 PolarHBondContact O-N 2.84Å
250I95.1Very high93.9Very high18 Ų1882 Ų829%0.09239%0.389CS..Hα-helixtrans-65.6-42.2179.1-63.9169000110.8E246 R252 Q253 H254 L257 L265 F280E246-I250 HydrophobicContact CG-CD1 4.12Å; E246-I250 WeakPolarHBondContact O-CG1 3.31Å; E246-I250 PolarHBondContact O-N 3.49Å; I250-R252 PolarHBondContact O-N 3.36Å; I250-Q253 PolarHBondContact O-N 2.96Å; I250-H254 PolarHBondContact O-N 3.35Å; I250-L257 HydrophobicContact CG2-CD1 4.19Å; I250-L257 HydrophobicContact CG2-CD2 4.04Å; I250-L265 HydrophobicContact CD1-CD1 3.24Å; I250-L265 HydrophobicContact CD1-CD2 3.66Å; I250-L265 HydrophobicContact CD1-CG 4.1Å; I250-L265 HydrophobicContact CG2-CD2 4.43Å; I250-F280 HydrophobicContact CB-CZ 4.42Å; I250-F280 HydrophobicContact CG2-CZ 3.96Å
251Y96.3Very high94Very high21 Ų2182.4 Ų82.48%0.08239%0.385CS..Hα-helixtrans-58.6-34178.6-177.4-91.3000113.5L247 E248 Q253 N255 W279 F280 R283 R284L247-Y251 VanDerWaalsContact O-CB 3.26Å; L247-Y251 WeakPolarHBondContact O-CB 3.33Å; L247-Y251 PolarHBondContact O-N 3.07Å; E248-Y251 PolarHBondContact O-N 2.76Å; Y251-Q253 VanDerWaalsContact C-N 3.33Å; Y251-N255 HydrophobicContact CD2-CB 4.39Å; Y251-N255 HydrophobicContact CE1-CB 4.47Å; Y251-N255 HydrophobicContact CE2-CB 3.95Å; Y251-N255 PolarHBondContact O-N 3.35Å; Y251-W279 HydrophobicContact CD2-CZ3 4.13Å; Y251-W279 HydrophobicContact CG-CH2 4.36Å; Y251-W279 HydrophobicContact CG-CZ3 4.26Å; Y251-F280 AromaticContact CD2-CD1 3.74Å; Y251-F280 HydrophobicContact CD2-CD1 3.74Å; Y251-F280 AromaticContact CD2-CE1 3.84Å; Y251-F280 HydrophobicContact CD2-CE1 3.84Å; Y251-F280 HydrophobicContact CE2-CD1 4.43Å; Y251-F280 HydrophobicContact CG-CE1 4.48Å; Y251-R283 HydrophobicContact CD1-CG 3.77Å; Y251-R283 HydrophobicContact CD2-CB 4.13Å; Y251-R283 HydrophobicContact CD2-CG 3.62Å; Y251-R283 HydrophobicContact CE1-CG 3.72Å; Y251-R283 HydrophobicContact CE2-CB 3.94Å; Y251-R283 HydrophobicContact CE2-CG 3.55Å; Y251-R283 HydrophobicContact CG-CG 3.73Å; Y251-R284 HydrophobicContact CE2-CG 3.74Å; Y251-R284 WeakPolarHBondContact OH-CA 3.4Å
252R93.9Very high94.1Very high192 Ų19279 Ų7973%0.72537%0.367SS*.Hα-helixtrans-68.4-32.6176.2-69.5174.5-160.3169.36.7112.3E248 R249 I250E248-R252 WeakPolarHBondContact O-CG 3.35Å; E248-R252 PolarHBondContact O-N 3.34Å; E248-R252 VanDerWaalsContact O-N 3.14Å; E248-R252 IonicContact OE2-NH2 2.75Å; E248-R252 PolarHBondContact OE2-NH2 3.44Å; R249-R252 PolarHBondContact O-N 2.84Å; I250-R252 PolarHBondContact O-N 3.36Å
253Q93.7Very high94.2Very high120 Ų12078.7 Ų78.756%0.56136%0.359SS*.Hα-helixtrans-81-51.1178-64176.5-29.700110.8I250 Y251I250-Q253 PolarHBondContact O-N 2.96Å; Y251-Q253 VanDerWaalsContact C-N 3.33Å
254H90.9Very high94.3Very high105 Ų10581.6 Ų81.649%0.48637%0.372SS..  trans-13597.8-175.8-58.4-76.1000110.1I250 K256 L257I250-H254 PolarHBondContact O-N 3.35Å; H254-K256 PolarHBondContact O-N 2.85Å; H254-L257 HydrophobicContact CB-CD2 3.93Å
255N90.6Very high94.3Very high87 Ų8777.6 Ų77.647%0.46536%0.357SS..SBendtrans-73.7-9.1-1776827.7000114.3Y251 R284Y251-N255 HydrophobicContact CD2-CB 4.39Å; Y251-N255 HydrophobicContact CE1-CB 4.47Å; Y251-N255 HydrophobicContact CE2-CB 3.95Å; Y251-N255 PolarHBondContact O-N 3.35Å; N255-R284 WeakPolarHBondContact O-CD 2.94Å
256K92Very high94.2Very high148 Ų14870.3 Ų70.364%0.64333%0.332SS*.SBendtrans-134114.9174.9-72.6177.7-176.4-178.90107.6H254H254-K256 PolarHBondContact O-N 2.85Å
257L90.9Very high94.3Very high30 Ų3075 Ų7516%0.15735%0.352CS..  trans-96.1141.8173-62.6-179000109.7I250 H254 E261 L262 L265 F280I250-L257 HydrophobicContact CG2-CD1 4.19Å; I250-L257 HydrophobicContact CG2-CD2 4.04Å; H254-L257 HydrophobicContact CB-CD2 3.93Å; L257-E261 HydrophobicContact CB-CB 4.08Å; L257-E261 HydrophobicContact CD2-CB 4.2Å; L257-L262 HydrophobicContact CB-CD2 4.07Å; L257-L262 HydrophobicContact CB-CG 3.92Å; L257-L262 HydrophobicContact CD1-CD2 4.07Å; L257-L265 HydrophobicContact CD1-CD2 3.71Å; L257-F280 HydrophobicContact CD1-CD1 4.46Å; L257-F280 HydrophobicContact CD1-CD2 4.18Å; L257-F280 HydrophobicContact CD1-CE1 3.83Å; L257-F280 HydrophobicContact CD1-CE2 3.51Å; L257-F280 HydrophobicContact CD1-CZ 3.32Å; L257-F280 HydrophobicContact CG-CD1 4.35Å; L257-F280 HydrophobicContact CG-CE1 3.83Å; L257-F280 HydrophobicContact CG-CE2 4.38Å; L257-F280 HydrophobicContact CG-CZ 3.87Å
258S92.8Very high94.2Very high55 Ų5581.7 Ų81.739%0.38538%0.381SS..  trans-66.3166.816966.80000111.5Y260 E261 L262S258-Y260 PolarHBondContact O-N 3.1Å; S258-E261 VanDerWaalsContact CB-OE2 3.25Å; S258-E261 WeakPolarHBondContact CB-OE2 3.47Å; S258-E261 PolarHBondContact N-OE2 2.99Å; S258-E261 PolarHBondContact O-N 3Å; S258-E261 VanDerWaalsContact OG-CG 3.27Å; S258-E261 WeakPolarHBondContact OG-CG 3.39Å; S258-E261 PolarHBondContact OG-N 2.55Å; S258-E261 PolarHBondContact OG-OE2 3.41Å; S258-L262 WeakPolarHBondContact O-CG 3.35Å; S258-L262 PolarHBondContact O-N 3.29Å
259A93.3Very high94.1Very high65 Ų6579.3 Ų79.354%0.53737%0.371SS..Hα-helixtrans-59.5-35.5176.800000112.5I263A259-I263 WeakPolarHBondContact O-CD1 3.19Å; A259-I263 WeakPolarHBondContact O-CG1 3.24Å; A259-I263 PolarHBondContact O-N 3.08Å
260Y94.7Very high94Very high161 Ų16182 Ų8263%0.63139%0.393SS*.Hα-helixtrans-69.5-50.5177.7179-98.7000111.6S258 L262 I263 E264S258-Y260 PolarHBondContact O-N 3.1Å; Y260-L262 PolarHBondContact O-N 2.92Å; Y260-I263 WeakPolarHBondContact O-CB 3.08Å; Y260-I263 PolarHBondContact O-N 3.18Å; Y260-E264 HydrophobicContact CD1-CG 4.32Å; Y260-E264 HydrophobicContact CE1-CG 3.82Å; Y260-E264 HydrophobicContact CE2-CG 4.29Å; Y260-E264 PolarHBondContact O-N 3.3Å
261E94.6Very high93.9Very high78 Ų7882.2 Ų82.236%0.36440%0.395SS..Hα-helixtrans-60.7-34.8178.4-69164.7124.500112.3L257 S258 I263 L265L257-E261 HydrophobicContact CB-CB 4.08Å; L257-E261 HydrophobicContact CD2-CB 4.2Å; S258-E261 VanDerWaalsContact CB-OE2 3.25Å; S258-E261 WeakPolarHBondContact CB-OE2 3.47Å; S258-E261 PolarHBondContact N-OE2 2.99Å; S258-E261 PolarHBondContact O-N 3Å; S258-E261 VanDerWaalsContact OG-CG 3.27Å; S258-E261 WeakPolarHBondContact OG-CG 3.39Å; S258-E261 PolarHBondContact OG-N 2.55Å; S258-E261 PolarHBondContact OG-OE2 3.41Å; E261-I263 VanDerWaalsContact C-N 3.33Å; E261-I263 PolarHBondContact O-N 3.4Å; E261-L265 VanDerWaalsContact O-CB 3.23Å; E261-L265 WeakPolarHBondContact O-CB 3.38Å; E261-L265 PolarHBondContact O-N 3.14Å
262L94.8Very high93.8Very high17 Ų1785.3 Ų85.39%0.08941%0.413CS..Hα-helixtrans-63-38.1173.5-76.4170.3000112.5L257 S258 Y260 A266 K273 I276 Q277 F280L257-L262 HydrophobicContact CB-CD2 4.07Å; L257-L262 HydrophobicContact CB-CG 3.92Å; L257-L262 HydrophobicContact CD1-CD2 4.07Å; S258-L262 WeakPolarHBondContact O-CG 3.35Å; S258-L262 PolarHBondContact O-N 3.29Å; Y260-L262 PolarHBondContact O-N 2.92Å; L262-A266 VanDerWaalsContact O-CB 3.25Å; L262-A266 WeakPolarHBondContact O-CB 3.17Å; L262-A266 PolarHBondContact O-N 2.9Å; L262-K273 HydrophobicContact CB-CG 4.32Å; L262-I276 HydrophobicContact CD2-CG2 3.72Å; L262-Q277 HydrophobicContact CD1-CB 4.34Å; L262-Q277 HydrophobicContact CD1-CG 4.3Å; L262-F280 HydrophobicContact CD2-CD2 4.44Å
263I95.9Very high93.8Very high64 Ų6479.8 Ų79.833%0.32839%0.394SS..Hα-helixtrans-69.8-46.4178.2-69.2163.2000110.2A259 Y260 E261 L265 A266 K267 K273A259-I263 WeakPolarHBondContact O-CD1 3.19Å; A259-I263 WeakPolarHBondContact O-CG1 3.24Å; A259-I263 PolarHBondContact O-N 3.08Å; Y260-I263 WeakPolarHBondContact O-CB 3.08Å; Y260-I263 PolarHBondContact O-N 3.18Å; E261-I263 VanDerWaalsContact C-N 3.33Å; E261-I263 PolarHBondContact O-N 3.4Å; I263-L265 VanDerWaalsContact C-N 3.32Å; I263-L265 PolarHBondContact O-N 2.9Å; I263-A266 WeakPolarHBondContact O-CB 3.46Å; I263-A266 PolarHBondContact O-N 2.82Å; I263-K267 WeakPolarHBondContact O-CG 3.27Å; I263-K267 PolarHBondContact O-N 2.93Å; I263-K273 HydrophobicContact CG1-CD 3.77Å; I263-K273 HydrophobicContact CG1-CG 4.42Å
264E95.3Very high93.8Very high73 Ų7377 Ų7734%0.34139%0.385SS..Hα-helixtrans-64-39.7179-70.1-55.2113.300111.7Y260 A266 K267 K268Y260-E264 HydrophobicContact CD1-CG 4.32Å; Y260-E264 HydrophobicContact CE1-CG 3.82Å; Y260-E264 HydrophobicContact CE2-CG 4.29Å; Y260-E264 PolarHBondContact O-N 3.3Å; E264-A266 PolarHBondContact O-N 3.4Å; E264-K267 PolarHBondContact O-N 3.27Å; E264-K267 IonicContact OE1-NZ 3.59Å; E264-K267 PolarHBondContact OE1-NZ 3.36Å; E264-K268 WeakPolarHBondContact O-CB 3.27Å; E264-K268 PolarHBondContact O-N 2.82Å
265L94.9Very high94Very high12 Ų1273.9 Ų73.96%0.06337%0.372CS..Hα-helixtrans-67.4-36.4175.2-172.255.7000112.6L247 I250 L257 E261 I263 K268 L269 I276 F280L247-L265 HydrophobicContact CD2-CD2 3.94Å; I250-L265 HydrophobicContact CD1-CD1 3.24Å; I250-L265 HydrophobicContact CD1-CD2 3.66Å; I250-L265 HydrophobicContact CD1-CG 4.1Å; I250-L265 HydrophobicContact CG2-CD2 4.43Å; L257-L265 HydrophobicContact CD1-CD2 3.71Å; E261-L265 VanDerWaalsContact O-CB 3.23Å; E261-L265 WeakPolarHBondContact O-CB 3.38Å; E261-L265 PolarHBondContact O-N 3.14Å; I263-L265 VanDerWaalsContact C-N 3.32Å; I263-L265 PolarHBondContact O-N 2.9Å; L265-K268 PolarHBondContact O-N 3.38Å; L265-L269 HydrophobicContact CD1-CD1 3.66Å; L265-L269 HydrophobicContact CD1-CG 3.88Å; L265-L269 HydrophobicContact CG-CD1 3.87Å; L265-L269 HydrophobicContact CG-CG 4.4Å; L265-L269 WeakPolarHBondContact O-CB 3.35Å; L265-L269 WeakPolarHBondContact O-CG 3.45Å; L265-L269 PolarHBondContact O-N 2.87Å; L265-I276 HydrophobicContact CB-CD1 4.47Å; L265-I276 HydrophobicContact CD2-CG2 4.06Å; L265-I276 HydrophobicContact CG-CD1 4.13Å; L265-F280 HydrophobicContact CD2-CE2 4.01Å; L265-F280 HydrophobicContact CD2-CZ 4.39Å
266A95.4Very high94.2Very high12 Ų1269.8 Ų69.810%0.09935%0.35CS..Hα-helixtrans-60.7-45.6174.300000112L262 I263 E264 N270 V271 K273 I276L262-A266 VanDerWaalsContact O-CB 3.25Å; L262-A266 WeakPolarHBondContact O-CB 3.17Å; L262-A266 PolarHBondContact O-N 2.9Å; I263-A266 WeakPolarHBondContact O-CB 3.46Å; I263-A266 PolarHBondContact O-N 2.82Å; E264-A266 PolarHBondContact O-N 3.4Å; A266-N270 WeakPolarHBondContact O-CA 3.05Å; A266-N270 PolarHBondContact O-N 3.28Å; A266-V271 VanDerWaalsContact CA-O 3.28Å; A266-V271 WeakPolarHBondContact CA-O 3.49Å; A266-V271 WeakPolarHBondContact CB-O 3Å; A266-V271 PolarHBondContact O-N 3.5Å; A266-V271 VanDerWaalsContact O-N 3.09Å; A266-K273 HydrophobicContact CB-CB 4.06Å; A266-I276 VanDerWaalsContact CA-CD1 3.42Å; A266-I276 HydrophobicContact CB-CD1 3.96Å
267K95.5Very high94.3Very high139 Ų13967.7 Ų67.760%0.60434%0.343SS*.Hα-helixtrans-61.8-50.2174-67.2173.6-173.7166.70111.2I263 E264 L269 N270I263-K267 WeakPolarHBondContact O-CG 3.27Å; I263-K267 PolarHBondContact O-N 2.93Å; E264-K267 PolarHBondContact O-N 3.27Å; E264-K267 IonicContact OE1-NZ 3.59Å; E264-K267 PolarHBondContact OE1-NZ 3.36Å; K267-L269 VanDerWaalsContact C-N 3.32Å; K267-L269 PolarHBondContact O-N 3.01Å; K267-N270 PolarHBondContact O-N 2.85Å
268K95.1Very high94.5Very high139 Ų13970.1 Ų70.160%0.60436%0.359SS*.Hα-helixtrans-58.4-41.5-178.7-174.5-173.1178.9-168.90112.7E246 E264 L265E246-K268 IonicContact OE1-NZ 2.9Å; E246-K268 PolarHBondContact OE1-NZ 2.96Å; E264-K268 WeakPolarHBondContact O-CB 3.27Å; E264-K268 PolarHBondContact O-N 2.82Å; L265-K268 PolarHBondContact O-N 3.38Å
269L94.3Very high94.6Very high31 Ų3169.5 Ų69.516%0.16235%0.348CS..Hα-helixtrans-89.1-6.6-177.2-69.5178.8000113.8T243 E246 L247 L265 K267 V271 I276T243-L269 HydrophobicContact CG2-CB 4.33Å; T243-L269 HydrophobicContact CG2-CD1 4Å; T243-L269 HydrophobicContact CG2-CD2 4.38Å; T243-L269 HydrophobicContact CG2-CG 4.48Å; E246-L269 HydrophobicContact CB-CD2 4.08Å; E246-L269 HydrophobicContact CG-CD2 3.84Å; L247-L269 HydrophobicContact CD2-CD1 3.76Å; L247-L269 HydrophobicContact CG-CD1 3.96Å; L265-L269 HydrophobicContact CD1-CD1 3.66Å; L265-L269 HydrophobicContact CD1-CG 3.88Å; L265-L269 HydrophobicContact CG-CD1 3.87Å; L265-L269 HydrophobicContact CG-CG 4.4Å; L265-L269 WeakPolarHBondContact O-CB 3.35Å; L265-L269 WeakPolarHBondContact O-CG 3.45Å; L265-L269 PolarHBondContact O-N 2.87Å; K267-L269 VanDerWaalsContact C-N 3.32Å; K267-L269 PolarHBondContact O-N 3.01Å; L269-V271 VanDerWaalsContact C-N 3.28Å; L269-V271 HydrophobicContact CB-CB 4.45Å; L269-V271 HydrophobicContact CB-CG2 4.3Å; L269-V271 PolarHBondContact O-N 3.42Å; L269-I276 HydrophobicContact CD1-CD1 4.24Å
270N94.4Very high94.7Very high154 Ų15466.7 Ų66.782%0.82432%0.324SS*.THydrogen-bonded Turntrans50.547.5-169.6-165.628.7000112.5A266 K267A266-N270 WeakPolarHBondContact O-CA 3.05Å; A266-N270 PolarHBondContact O-N 3.28Å; K267-N270 PolarHBondContact O-N 2.85Å
271V93.6Very high94.8Very high23 Ų2365.8 Ų65.814%0.13932%0.32CS..  trans-131.2139179.3174.20000109.2L239 T243 A266 L269 K273 I275 I276L239-V271 HydrophobicContact CD2-CG1 3.86Å; L239-V271 HydrophobicContact CD2-CG2 4.16Å; T243-V271 HydrophobicContact CG2-CG2 3.92Å; A266-V271 VanDerWaalsContact CA-O 3.28Å; A266-V271 WeakPolarHBondContact CA-O 3.49Å; A266-V271 WeakPolarHBondContact CB-O 3Å; A266-V271 PolarHBondContact O-N 3.5Å; A266-V271 VanDerWaalsContact O-N 3.09Å; L269-V271 VanDerWaalsContact C-N 3.28Å; L269-V271 HydrophobicContact CB-CB 4.45Å; L269-V271 HydrophobicContact CB-CG2 4.3Å; L269-V271 PolarHBondContact O-N 3.42Å; V271-K273 PolarHBondContact O-N 2.66Å; V271-I275 HydrophobicContact CG1-CB 3.86Å; V271-I275 HydrophobicContact CG1-CD1 4.26Å; V271-I275 HydrophobicContact CG1-CG2 3.9Å; V271-I276 HydrophobicContact CB-CD1 4.3Å; V271-I276 HydrophobicContact CB-CG1 4.3Å; V271-I276 HydrophobicContact CG1-CD1 4.5Å; V271-I276 HydrophobicContact CG1-CG1 3.97Å
272D93.6Very high94.8Very high87 Ų8765.9 Ų65.947%0.46532%0.323SS..  trans-51.8130.3177.6-174.5-23.1000111.5T274 I275 I276D272-T274 PolarHBondContact O-N 2.86Å; D272-T274 VanDerWaalsContact O-N 3.09Å; D272-T274 PolarHBondContact OD1-N 3.42Å; D272-T274 PolarHBondContact OD1-OG1 2.9Å; D272-T274 PolarHBondContact OD2-OG1 2.86Å; D272-T274 VanDerWaalsContact OD2-OG1 3.09Å; D272-I275 HydrophobicContact CB-CD1 3.91Å; D272-I275 HydrophobicContact CB-CG1 4.08Å; D272-I275 WeakPolarHBondContact O-CB 3.37Å; D272-I275 PolarHBondContact O-N 3.39Å; D272-I276 PolarHBondContact O-N 3.42Å
273K94.3Very high94.8Very high75 Ų7568.2 Ų68.233%0.32633%0.33SS..Hα-helixtrans-46.4-40.4175.4-178.8-165.2177.4179.40111.9L262 I263 A266 V271 I275 I276 Q277L262-K273 HydrophobicContact CB-CG 4.32Å; I263-K273 HydrophobicContact CG1-CD 3.77Å; I263-K273 HydrophobicContact CG1-CG 4.42Å; A266-K273 HydrophobicContact CB-CB 4.06Å; V271-K273 PolarHBondContact O-N 2.66Å; K273-I275 VanDerWaalsContact C-N 3.32Å; K273-I275 PolarHBondContact O-N 3.06Å; K273-I276 PolarHBondContact O-N 3.33Å; K273-Q277 WeakPolarHBondContact O-CB 3.47Å; K273-Q277 PolarHBondContact O-N 3.15Å
274T94.1Very high94.8Very high61 Ų6169.2 Ų69.237%0.37433%0.33SS..Hα-helixtrans-63.8-38-179.262.20000112.1D272 Q277 V278D272-T274 PolarHBondContact O-N 2.86Å; D272-T274 VanDerWaalsContact O-N 3.09Å; D272-T274 PolarHBondContact OD1-N 3.42Å; D272-T274 PolarHBondContact OD1-OG1 2.9Å; D272-T274 PolarHBondContact OD2-OG1 2.86Å; D272-T274 VanDerWaalsContact OD2-OG1 3.09Å; T274-Q277 PolarHBondContact O-N 3.42Å; T274-V278 WeakPolarHBondContact O-CB 3.31Å; T274-V278 VanDerWaalsContact O-CG2 3.24Å; T274-V278 WeakPolarHBondContact O-CG2 3.35Å; T274-V278 PolarHBondContact O-N 2.88Å
275I93.6Very high94.7Very high41 Ų4168.4 Ų68.421%0.2133%0.33CS..Hα-helixtrans-68.2-43.9178.7-61.5172.8000110.2T237 L239 V271 D272 K273 V278 W279T237-I275 HydrophobicContact CG2-CD1 3.88Å; L239-I275 HydrophobicContact CD1-CG2 4.32Å; L239-I275 HydrophobicContact CD2-CG2 3.87Å; L239-I275 HydrophobicContact CG-CG2 4.33Å; V271-I275 HydrophobicContact CG1-CB 3.86Å; V271-I275 HydrophobicContact CG1-CD1 4.26Å; V271-I275 HydrophobicContact CG1-CG2 3.9Å; D272-I275 HydrophobicContact CB-CD1 3.91Å; D272-I275 HydrophobicContact CB-CG1 4.08Å; D272-I275 WeakPolarHBondContact O-CB 3.37Å; D272-I275 PolarHBondContact O-N 3.39Å; K273-I275 VanDerWaalsContact C-N 3.32Å; K273-I275 PolarHBondContact O-N 3.06Å; I275-V278 PolarHBondContact O-N 3.02Å; I275-W279 WeakPolarHBondContact O-CB 3.35Å; I275-W279 PolarHBondContact O-N 2.94Å
276I94.6Very high94.6Very high0 Ų075.6 Ų75.60%036%0.357CS..Hα-helixtrans-63.1-46.6176.8-61.8-174.9000110.4L247 L262 L265 A266 L269 V271 D272 K273 V278 W279 F280L247-I276 HydrophobicContact CD2-CG1 4.42Å; L247-I276 HydrophobicContact CD2-CG2 3.92Å; L262-I276 HydrophobicContact CD2-CG2 3.72Å; L265-I276 HydrophobicContact CB-CD1 4.47Å; L265-I276 HydrophobicContact CD2-CG2 4.06Å; L265-I276 HydrophobicContact CG-CD1 4.13Å; A266-I276 VanDerWaalsContact CA-CD1 3.42Å; A266-I276 HydrophobicContact CB-CD1 3.96Å; L269-I276 HydrophobicContact CD1-CD1 4.24Å; V271-I276 HydrophobicContact CB-CD1 4.3Å; V271-I276 HydrophobicContact CB-CG1 4.3Å; V271-I276 HydrophobicContact CG1-CD1 4.5Å; V271-I276 HydrophobicContact CG1-CG1 3.97Å; D272-I276 PolarHBondContact O-N 3.42Å; K273-I276 PolarHBondContact O-N 3.33Å; I276-V278 PolarHBondContact O-N 3.01Å; I276-W279 WeakPolarHBondContact O-CB 3.21Å; I276-W279 PolarHBondContact O-N 3.44Å; I276-W279 VanDerWaalsContact O-N 3.12Å; I276-F280 HydrophobicContact CG2-CD2 3.8Å; I276-F280 HydrophobicContact CG2-CE2 3.88Å; I276-F280 WeakPolarHBondContact O-CD2 3.4Å; I276-F280 PolarHBondContact O-N 2.87Å
277Q95.1Very high94.5Very high105 Ų10577.5 Ų77.549%0.49137%0.369SS..Hα-helixtrans-57-47.6177.1-176.1-177.13.200111.7L262 K273 T274 W279 F280 Y281L262-Q277 HydrophobicContact CD1-CB 4.34Å; L262-Q277 HydrophobicContact CD1-CG 4.3Å; K273-Q277 WeakPolarHBondContact O-CB 3.47Å; K273-Q277 PolarHBondContact O-N 3.15Å; T274-Q277 PolarHBondContact O-N 3.42Å; Q277-W279 VanDerWaalsContact C-N 3.32Å; Q277-W279 PolarHBondContact O-N 2.84Å; Q277-F280 PolarHBondContact O-N 3.03Å; Q277-Y281 WeakPolarHBondContact O-CB 3.38Å; Q277-Y281 PolarHBondContact O-N 2.65Å
278V93.8Very high94.3Very high81 Ų8175.6 Ų75.649%0.49136%0.364SS..Hα-helixtrans-63.9-37.8176.5169.80000111.2T274 I275 I276 Y281 N282T274-V278 WeakPolarHBondContact O-CB 3.31Å; T274-V278 VanDerWaalsContact O-CG2 3.24Å; T274-V278 WeakPolarHBondContact O-CG2 3.35Å; T274-V278 PolarHBondContact O-N 2.88Å; I275-V278 PolarHBondContact O-N 3.02Å; I276-V278 PolarHBondContact O-N 3.01Å; V278-Y281 PolarHBondContact O-N 3.36Å; V278-N282 WeakPolarHBondContact CG1-ND2 3.23Å; V278-N282 WeakPolarHBondContact O-CB 3.26Å; V278-N282 VanDerWaalsContact O-CG 3.24Å; V278-N282 PolarHBondContact O-N 3.43Å; V278-N282 PolarHBondContact O-ND2 3.3Å
279W95.6Very high94.1Very high41 Ų4172.5 Ų72.516%0.15535%0.354CS..Hα-helixtrans-61.5-49.4175.6-174.6100.3000111.3L239 L247 E248 Y251 I275 I276 Q277 Y281 N282 R283L239-W279 HydrophobicContact CD1-CG 4.41Å; L247-W279 VanDerWaalsContact C-CH2 3.4Å; L247-W279 HydrophobicContact CB-CD2 3.99Å; L247-W279 HydrophobicContact CB-CE3 3.93Å; L247-W279 HydrophobicContact CB-CH2 3.66Å; L247-W279 HydrophobicContact CB-CZ2 3.66Å; L247-W279 HydrophobicContact CB-CZ3 3.79Å; L247-W279 HydrophobicContact CD1-CB 4.47Å; L247-W279 HydrophobicContact CD1-CD2 3.83Å; L247-W279 HydrophobicContact CD1-CE3 4.34Å; L247-W279 HydrophobicContact CD1-CG 3.85Å; L247-W279 HydrophobicContact CD2-CE3 4.37Å; L247-W279 HydrophobicContact CG-CD2 4.39Å; L247-W279 HydrophobicContact CG-CE3 4.46Å; L247-W279 WeakPolarHBondContact O-CH2 3.34Å; E248-W279 HydrophobicContact CG-CH2 4.17Å; E248-W279 HydrophobicContact CG-CZ2 3.94Å; Y251-W279 HydrophobicContact CD2-CZ3 4.13Å; Y251-W279 HydrophobicContact CG-CH2 4.36Å; Y251-W279 HydrophobicContact CG-CZ3 4.26Å; I275-W279 WeakPolarHBondContact O-CB 3.35Å; I275-W279 PolarHBondContact O-N 2.94Å; I276-W279 WeakPolarHBondContact O-CB 3.21Å; I276-W279 PolarHBondContact O-N 3.44Å; I276-W279 VanDerWaalsContact O-N 3.12Å; Q277-W279 VanDerWaalsContact C-N 3.32Å; Q277-W279 PolarHBondContact O-N 2.84Å; W279-Y281 VanDerWaalsContact C-N 3.35Å; W279-Y281 PolarHBondContact O-N 2.81Å; W279-N282 PolarHBondContact O-N 3.38Å; W279-R283 HydrophobicContact CE3-CB 4.26Å; W279-R283 HydrophobicContact CH2-CB 4.19Å; W279-R283 HydrophobicContact CH2-CG 3.88Å; W279-R283 HydrophobicContact CZ2-CG 4.4Å; W279-R283 HydrophobicContact CZ3-CB 4.04Å; W279-R283 HydrophobicContact CZ3-CG 4.11Å; W279-R283 VanDerWaalsContact O-CB 3.31Å; W279-R283 WeakPolarHBondContact O-CB 3.04Å; W279-R283 PolarHBondContact O-N 3.04Å
280F96.6Very high94Very high7 Ų774.4 Ų74.43%0.03136%0.364CS..Hα-helixtrans-62.9-40.2178-90.9-93000111.9L247 I250 Y251 L257 L262 L265 I276 Q277 R283 R284L247-F280 HydrophobicContact CD2-CE2 3.84Å; I250-F280 HydrophobicContact CB-CZ 4.42Å; I250-F280 HydrophobicContact CG2-CZ 3.96Å; Y251-F280 AromaticContact CD2-CD1 3.74Å; Y251-F280 HydrophobicContact CD2-CD1 3.74Å; Y251-F280 AromaticContact CD2-CE1 3.84Å; Y251-F280 HydrophobicContact CD2-CE1 3.84Å; Y251-F280 HydrophobicContact CE2-CD1 4.43Å; Y251-F280 HydrophobicContact CG-CE1 4.48Å; L257-F280 HydrophobicContact CD1-CD1 4.46Å; L257-F280 HydrophobicContact CD1-CD2 4.18Å; L257-F280 HydrophobicContact CD1-CE1 3.83Å; L257-F280 HydrophobicContact CD1-CE2 3.51Å; L257-F280 HydrophobicContact CD1-CZ 3.32Å; L257-F280 HydrophobicContact CG-CD1 4.35Å; L257-F280 HydrophobicContact CG-CE1 3.83Å; L257-F280 HydrophobicContact CG-CE2 4.38Å; L257-F280 HydrophobicContact CG-CZ 3.87Å; L262-F280 HydrophobicContact CD2-CD2 4.44Å; L265-F280 HydrophobicContact CD2-CE2 4.01Å; L265-F280 HydrophobicContact CD2-CZ 4.39Å; I276-F280 HydrophobicContact CG2-CD2 3.8Å; I276-F280 HydrophobicContact CG2-CE2 3.88Å; I276-F280 WeakPolarHBondContact O-CD2 3.4Å; I276-F280 PolarHBondContact O-N 2.87Å; Q277-F280 PolarHBondContact O-N 3.03Å; F280-R283 PolarHBondContact O-N 3.05Å; F280-R284 WeakPolarHBondContact O-CG 3.46Å; F280-R284 PolarHBondContact O-N 3.23Å; F280-R284 VanDerWaalsContact O-N 3.08Å; F280-R284 PolarHBondContact O-NE 3.34Å
281Y94.9Very high93.9Very high141 Ų14175.9 Ų75.955%0.55336%0.358SS*.Hα-helixtrans-59.7-52.7173.8-180-100.2000111.8Q277 V278 W279 R283 R284 T285Q277-Y281 WeakPolarHBondContact O-CB 3.38Å; Q277-Y281 PolarHBondContact O-N 2.65Å; V278-Y281 PolarHBondContact O-N 3.36Å; W279-Y281 VanDerWaalsContact C-N 3.35Å; W279-Y281 PolarHBondContact O-N 2.81Å; Y281-R283 VanDerWaalsContact C-N 3.32Å; Y281-R283 PolarHBondContact O-N 3.38Å; Y281-R284 PolarHBondContact O-N 3.06Å; Y281-T285 PolarHBondContact O-N 2.99Å; Y281-T285 VanDerWaalsContact O-N 3.1Å; Y281-T285 PolarHBondContact O-OG1 3.21Å
282N95.5Very high93.8Very high81 Ų8181.4 Ų81.443%0.43338%0.38SS..Hα-helixtrans-62.4-38.4179.7-72.6-25.3000112.4V278 W279 T285 R286V278-N282 WeakPolarHBondContact CG1-ND2 3.23Å; V278-N282 WeakPolarHBondContact O-CB 3.26Å; V278-N282 VanDerWaalsContact O-CG 3.24Å; V278-N282 PolarHBondContact O-N 3.43Å; V278-N282 PolarHBondContact O-ND2 3.3Å; W279-N282 PolarHBondContact O-N 3.38Å; N282-T285 PolarHBondContact O-N 3.01Å; N282-R286 WeakPolarHBondContact O-CG 3.3Å; N282-R286 PolarHBondContact O-N 3.42Å
283R95.6Very high93.7Very high65 Ų6584.5 Ų84.525%0.24539%0.385CS..Hα-helixtrans-66-38.7179-176.362.9-172.384.8-5.1112.3Y251 W279 F280 Y281 R286 S287Y251-R283 HydrophobicContact CD1-CG 3.77Å; Y251-R283 HydrophobicContact CD2-CB 4.13Å; Y251-R283 HydrophobicContact CD2-CG 3.62Å; Y251-R283 HydrophobicContact CE1-CG 3.72Å; Y251-R283 HydrophobicContact CE2-CB 3.94Å; Y251-R283 HydrophobicContact CE2-CG 3.55Å; Y251-R283 HydrophobicContact CG-CG 3.73Å; W279-R283 HydrophobicContact CE3-CB 4.26Å; W279-R283 HydrophobicContact CH2-CB 4.19Å; W279-R283 HydrophobicContact CH2-CG 3.88Å; W279-R283 HydrophobicContact CZ2-CG 4.4Å; W279-R283 HydrophobicContact CZ3-CB 4.04Å; W279-R283 HydrophobicContact CZ3-CG 4.11Å; W279-R283 VanDerWaalsContact O-CB 3.31Å; W279-R283 WeakPolarHBondContact O-CB 3.04Å; W279-R283 PolarHBondContact O-N 3.04Å; F280-R283 PolarHBondContact O-N 3.05Å; Y281-R283 VanDerWaalsContact C-N 3.32Å; Y281-R283 PolarHBondContact O-N 3.38Å; R283-R286 PolarHBondContact O-N 2.95Å; R283-S287 PolarHBondContact O-N 3.2Å
284R95.8Very high93.6Very high86 Ų8688.4 Ų88.433%0.32540%0.402SS..Hα-helixtrans-62.2-48.4171.8-73.1-177.3-70.4163.2-2111.7Y251 N255 F280 Y281 R286 S287 I288Y251-R284 HydrophobicContact CE2-CG 3.74Å; Y251-R284 WeakPolarHBondContact OH-CA 3.4Å; N255-R284 WeakPolarHBondContact O-CD 2.94Å; F280-R284 WeakPolarHBondContact O-CG 3.46Å; F280-R284 PolarHBondContact O-N 3.23Å; F280-R284 VanDerWaalsContact O-N 3.08Å; F280-R284 PolarHBondContact O-NE 3.34Å; Y281-R284 PolarHBondContact O-N 3.06Å; R284-R286 VanDerWaalsContact C-N 3.33Å; R284-R286 PolarHBondContact O-N 3.48Å; R284-S287 VanDerWaalsContact O-CB 3.3Å; R284-S287 WeakPolarHBondContact O-CB 3.22Å; R284-S287 PolarHBondContact O-N 3.4Å; R284-S287 VanDerWaalsContact O-N 3.08Å; R284-I288 WeakPolarHBondContact O-CG1 3.47Å; R284-I288 PolarHBondContact O-N 3.05Å
285T93.2Very high93.5Very high55 Ų5590.2 Ų90.234%0.33741%0.409SS..Hα-helixtrans-57.6-45.4177.5-58.40000111.6Y281 N282 S287 I288 I289Y281-T285 PolarHBondContact O-N 2.99Å; Y281-T285 VanDerWaalsContact O-N 3.1Å; Y281-T285 PolarHBondContact O-OG1 3.21Å; N282-T285 PolarHBondContact O-N 3.01Å; T285-S287 VanDerWaalsContact C-N 3.35Å; T285-S287 PolarHBondContact O-N 3.27Å; T285-I288 PolarHBondContact O-N 3.2Å; T285-I289 HydrophobicContact CG2-CD1 3.96Å; T285-I289 WeakPolarHBondContact O-CG1 3.28Å; T285-I289 PolarHBondContact O-N 3.13Å
286R93.1Very high93.3Very high164 Ų16494.6 Ų94.662%0.61943%0.427SS*.Hα-helixtrans-57.8-45.5173.8-73.6-178.5-179.6-157.5-0.7112.1N282 R283 R284 I288 I289 D290N282-R286 WeakPolarHBondContact O-CG 3.3Å; N282-R286 PolarHBondContact O-N 3.42Å; R283-R286 PolarHBondContact O-N 2.95Å; R284-R286 VanDerWaalsContact C-N 3.33Å; R284-R286 PolarHBondContact O-N 3.48Å; R286-I288 VanDerWaalsContact C-N 3.28Å; R286-I288 PolarHBondContact O-N 3.33Å; R286-I289 PolarHBondContact O-N 3.44Å; R286-I289 VanDerWaalsContact O-N 3.15Å; R286-D290 VanDerWaalsContact O-CG 3.3Å; R286-D290 PolarHBondContact O-N 2.97Å
287S92.2Very high93Very high51 Ų51103.2 Ų103.236%0.35746%0.459SS..Hα-helixtrans-57.9-40178.2-160.90000112.8R283 R284 T285 R291R283-S287 PolarHBondContact O-N 3.2Å; R284-S287 VanDerWaalsContact O-CB 3.3Å; R284-S287 WeakPolarHBondContact O-CB 3.22Å; R284-S287 PolarHBondContact O-N 3.4Å; R284-S287 VanDerWaalsContact O-N 3.08Å; T285-S287 VanDerWaalsContact C-N 3.35Å; T285-S287 PolarHBondContact O-N 3.27Å; S287-R291 PolarHBondContact O-N 3.45Å; S287-R291 VanDerWaalsContact O-N 3.12Å
288I92.2Very high92.8Very high99 Ų99100.9 Ų100.951%0.50846%0.458SS..Hα-helixtrans-67.6-45.2177.1-65.6166.2000110.5R284 T285 R286 D290 R291 K292R284-I288 WeakPolarHBondContact O-CG1 3.47Å; R284-I288 PolarHBondContact O-N 3.05Å; T285-I288 PolarHBondContact O-N 3.2Å; R286-I288 VanDerWaalsContact C-N 3.28Å; R286-I288 PolarHBondContact O-N 3.33Å; I288-D290 PolarHBondContact O-N 3.38Å; I288-R291 PolarHBondContact O-N 2.69Å; I288-K292 WeakPolarHBondContact O-CG 3.4Å; I288-K292 PolarHBondContact O-N 2.62Å
289I90.7Very high92.4Very high74 Ų74105 Ų10538%0.37947%0.469SS..Hα-helixtrans-61.1-45178.4-67.8166.5000110.7T285 R286 R291 K292 R293T285-I289 HydrophobicContact CG2-CD1 3.96Å; T285-I289 WeakPolarHBondContact O-CG1 3.28Å; T285-I289 PolarHBondContact O-N 3.13Å; R286-I289 PolarHBondContact O-N 3.44Å; R286-I289 VanDerWaalsContact O-N 3.15Å; I289-R291 VanDerWaalsContact C-N 3.35Å; I289-R291 PolarHBondContact O-N 2.75Å; I289-K292 PolarHBondContact O-N 3.39Å; I289-R293 HydrophobicContact CG2-CG 4.44Å; I289-R293 WeakPolarHBondContact O-CG 3.35Å; I289-R293 PolarHBondContact O-N 3.19Å
290D91.8Very high91.9Very high71 Ų71112.3 Ų112.338%0.3850%0.497SS..Hα-helixtrans-64.1-39.9179.7-68.4-24.2000111.6R286 I288 R293 K294R286-D290 VanDerWaalsContact O-CG 3.3Å; R286-D290 PolarHBondContact O-N 2.97Å; I288-D290 PolarHBondContact O-N 3.38Å; D290-R293 PolarHBondContact O-N 3.03Å; D290-K294 WeakPolarHBondContact O-CG 3.45Å; D290-K294 PolarHBondContact O-N 3.41Å
291R92.5Very high90.9Very high186 Ų186121.1 Ų121.170%0.70254%0.535SS*.Hα-helixtrans-60.8-46.1172.9-172.3176.3-179.3167.30.3111.6S287 I288 I289 R293 K294 L295S287-R291 PolarHBondContact O-N 3.45Å; S287-R291 VanDerWaalsContact O-N 3.12Å; I288-R291 PolarHBondContact O-N 2.69Å; I289-R291 VanDerWaalsContact C-N 3.35Å; I289-R291 PolarHBondContact O-N 2.75Å; R291-R293 VanDerWaalsContact C-N 3.35Å; R291-R293 PolarHBondContact O-N 2.73Å; R291-K294 PolarHBondContact O-N 3.01Å; R291-L295 HydrophobicContact CG-CD1 4.31Å; R291-L295 WeakPolarHBondContact O-CG 3.44Å; R291-L295 PolarHBondContact O-N 2.89Å
292K92.1Very high89.5Confident139 Ų139127.8 Ų127.860%0.60456%0.559SS**Hα-helixtrans-60.9-41.9176.4-73.5-175.8177.1-173.80111.9I288 I289 L295 K296I288-K292 WeakPolarHBondContact O-CG 3.4Å; I288-K292 PolarHBondContact O-N 2.62Å; I289-K292 PolarHBondContact O-N 3.39Å; K292-L295 PolarHBondContact O-N 2.91Å; K292-K296 PolarHBondContact O-N 3.35Å
293R90.8Very high89.2Confident152 Ų152130.1 Ų130.157%0.57457%0.565SS**Hα-helixtrans-64.1-43.5176.6-74.3174.2172.1176.4-5.5112.2I289 D290 R291 K296 R297I289-R293 HydrophobicContact CG2-CG 4.44Å; I289-R293 WeakPolarHBondContact O-CG 3.35Å; I289-R293 PolarHBondContact O-N 3.19Å; D290-R293 PolarHBondContact O-N 3.03Å; R291-R293 VanDerWaalsContact C-N 3.35Å; R291-R293 PolarHBondContact O-N 2.73Å; R293-K296 PolarHBondContact O-N 2.98Å; R293-R297 WeakPolarHBondContact O-CG 3.49Å; R293-R297 PolarHBondContact O-N 3.47Å
294K91.6Very high88.9Confident157 Ų157133.5 Ų133.568%0.68358%0.582SS**Hα-helixtrans-60-45.2175-74.2-179.2179.9-173.10111.6D290 R291 R297 A298D290-K294 WeakPolarHBondContact O-CG 3.45Å; D290-K294 PolarHBondContact O-N 3.41Å; R291-K294 PolarHBondContact O-N 3.01Å; K294-R297 PolarHBondContact O-N 3.42Å; K294-A298 PolarHBondContact O-N 3.3Å
295L91.8Very high88.5Confident98 Ų98136.2 Ų136.251%0.51360%0.596SS.*Hα-helixtrans-61.9-44.5176.7-71.6167.7000112.5R291 K292 R297 A298 K299R291-L295 HydrophobicContact CG-CD1 4.31Å; R291-L295 WeakPolarHBondContact O-CG 3.44Å; R291-L295 PolarHBondContact O-N 2.89Å; K292-L295 PolarHBondContact O-N 2.91Å; L295-R297 VanDerWaalsContact C-N 3.34Å; L295-R297 PolarHBondContact O-N 3.19Å; L295-A298 PolarHBondContact O-N 2.98Å; L295-K299 WeakPolarHBondContact O-CG 3.46Å; L295-K299 PolarHBondContact O-N 3.09Å; L295-K299 VanDerWaalsContact O-N 3.08Å
296K89Confident88.2Confident133 Ų133140.9 Ų140.958%0.57861%0.611SS**Hα-helixtrans-61.2-40.7175.3-74.6-167.6176.5-161.20112.2K292 R293 K299 R300K292-K296 PolarHBondContact O-N 3.35Å; R293-K296 PolarHBondContact O-N 2.98Å; K296-K299 PolarHBondContact O-N 3.09Å; K296-R300 PolarHBondContact O-N 3.23Å
297R89.8Confident87.9Confident182 Ų182139.5 Ų139.569%0.68761%0.611SS**Hα-helixtrans-65.4-40.4176.4-73.4176.8177.6-178.4-1.7112.4R293 K294 L295 K299 R300 K301R293-R297 WeakPolarHBondContact O-CG 3.49Å; R293-R297 PolarHBondContact O-N 3.47Å; K294-R297 PolarHBondContact O-N 3.42Å; L295-R297 VanDerWaalsContact C-N 3.34Å; L295-R297 PolarHBondContact O-N 3.19Å; R297-K299 VanDerWaalsContact C-N 3.34Å; R297-R300 PolarHBondContact O-N 3.07Å; R297-K301 PolarHBondContact O-N 3.25Å
298A89.7Confident87.7Confident55 Ų55145.4 Ų145.446%0.45563%0.628SS.*Hα-helixtrans-64.9-37.417700000112.3K294 L295 R300 K301K294-A298 PolarHBondContact O-N 3.3Å; L295-A298 PolarHBondContact O-N 2.98Å; A298-R300 PolarHBondContact O-N 3.01Å; A298-K301 PolarHBondContact O-N 3.49Å
299K86.3Confident87.3Confident167 Ų167148.7 Ų148.773%0.72664%0.637SS**Hα-helixtrans-67.4-29.6175.7-72.9-173177.2-166.50114.2L295 K296 R297 K301L295-K299 WeakPolarHBondContact O-CG 3.46Å; L295-K299 PolarHBondContact O-N 3.09Å; L295-K299 VanDerWaalsContact O-N 3.08Å; K296-K299 PolarHBondContact O-N 3.09Å; R297-K299 VanDerWaalsContact C-N 3.34Å; K299-K301 VanDerWaalsContact C-N 3.31Å
300R84.5Confident87.1Confident196 Ų196154.5 Ų154.574%0.7466%0.656SS**THydrogen-bonded Turntrans-78.2-13.3177.2-73-178.6176.2-179.2-3113.9K296 R297 A298K296-R300 PolarHBondContact O-N 3.23Å; R297-R300 PolarHBondContact O-N 3.07Å; A298-R300 PolarHBondContact O-N 3.01Å
301K76.9Confident86.7Confident192 Ų192161.4 Ų161.484%0.83568%0.679SS**THydrogen-bonded Turntrans-95.2-6.6178.4-73.4-169.8172.6-163.70113R297 A298 K299R297-K301 PolarHBondContact O-N 3.25Å; A298-K301 PolarHBondContact O-N 3.49Å; K299-K301 VanDerWaalsContact C-N 3.31Å
302R65.2Low86.1Confident280 Ų280159.2 Ų159.2100%1.05768%0.677SS**  trans-101.60171.3-70-176.4173.8-172.3-4.1107.6

Retrieved 302 of 302 residues in 59.1 ms (Link to these results)

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