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Nucleoside diphosphate kinase

Major role in the synthesis of nucleoside triphosphates other than ATP.

AlphaFold DB , UniProt , Accession A0A060WE68, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 152 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
1M50.3Low88.6Confident221 Ų22147.3 Ų47.3100%1.08926%0.256SS*.  0-110-66-175.2-163.900113.7N3 T4M1-N3 VanDerWaalsContact C-N 3.26Å; M1-N3 PolarHBondContact O-N 2.91Å; M1-T4 PolarHBondContact O-OG1 3.25Å
2A64.4Low89.5Confident67 Ų6744.8 Ų44.855%0.55424%0.24SC*.THydrogen-bonded Turntrans-74.8-9.3179.600000114.9L81A2-L81 HydrophobicContact CB-CD1 3.91Å; A2-L81 VanDerWaalsContact O-CD1 3.25Å; A2-L81 WeakPolarHBondContact O-CD1 3.44Å
3N78.7Confident90.2Very high34 Ų3441.6 Ų41.618%0.18222%0.224CC..THydrogen-bonded Turntrans-10312.9-169.1-51.3-12.1000113.2M1 G80 L81 Y151M1-N3 VanDerWaalsContact C-N 3.26Å; M1-N3 PolarHBondContact O-N 2.91Å; N3-G80 WeakPolarHBondContact O-CA 3.34Å; N3-L81 HydrophobicContact CB-CB 4.45Å; N3-Y151 HydrophobicContact CB-CD1 4.24Å; N3-Y151 HydrophobicContact CB-CE1 4.23Å; N3-Y151 HydrophobicContact CB-CG 4.45Å; N3-Y151 WeakPolarHBondContact ND2-CB 3.25Å; N3-Y151 WeakPolarHBondContact ND2-CD1 3.42Å; N3-Y151 VanDerWaalsContact ND2-CG 3.33Å
4T91.2Very high90.8Very high85 Ų8539.7 Ų39.752%0.52121%0.214SC..  trans-110.913.6-178.459.50000112.6M1M1-T4 PolarHBondContact O-OG1 3.25Å
5E97.4Very high91.4Very high39 Ų3937.1 Ų37.118%0.18220%0.199CC..  trans-60.7142.8171.2175.5-176.6118.600109.9E79 G80 N82 V83 V84 L123E5-E79 CarbonylContact O-C 3.59Å; E5-E79 VanDerWaalsContact O-CA 3.23Å; E5-E79 WeakPolarHBondContact O-CA 3.49Å; E5-E79 VanDerWaalsContact O-CG 3.29Å; E5-E79 WeakPolarHBondContact O-CG 3.38Å; E5-G80 WeakPolarHBondContact CB-O 3.34Å; E5-G80 PolarHBondContact O-N 3.27Å; E5-N82 VanDerWaalsContact OE1-CA 3.29Å; E5-N82 WeakPolarHBondContact OE1-CA 3.38Å; E5-V83 HydrophobicContact CB-CG1 4.37Å; E5-V83 HydrophobicContact CG-CG1 4.02Å; E5-V83 WeakPolarHBondContact O-CG1 3.4Å; E5-V83 PolarHBondContact OE1-N 3.1Å; E5-V84 HydrophobicContact CG-CG2 4.18Å; E5-V84 WeakPolarHBondContact OE1-CB 3.4Å; E5-V84 WeakPolarHBondContact OE1-CG2 3.49Å; E5-V84 PolarHBondContact OE1-N 2.79Å; E5-L123 HydrophobicContact CG-CD2 3.38Å; E5-L123 VanDerWaalsContact OE2-CD2 3.26Å; E5-L123 WeakPolarHBondContact OE2-CD2 3.41Å
6R98.6Very high91.8Very high73 Ų7336.3 Ų36.328%0.27520%0.196SC..EExtended strand (participates in β ladder)trans-122.4145.5179.8-64.5178-175173.34.2111.3I77 W78 E79 A126 I130 E141R6-I77 HydrophobicContact CB-CG2 4.02Å; R6-I77 HydrophobicContact CG-CG2 4.29Å; R6-W78 CarbonylContact C-O 3.57Å; R6-W78 VanDerWaalsContact CA-O 3.29Å; R6-W78 WeakPolarHBondContact CA-O 3.32Å; R6-E79 HydrophobicContact CG-CB 4.04Å; R6-E79 HydrophobicContact CG-CG 3.91Å; R6-E79 IonicContact CZ-OE2 3.63Å; R6-E79 VanDerWaalsContact CZ-OE2 3.23Å; R6-E79 IonicContact NE-OE2 3.01Å; R6-E79 PolarHBondContact NE-OE2 3.39Å; R6-E79 IonicContact NH2-OE2 2.97Å; R6-E79 PolarHBondContact NH2-OE2 3.2Å; R6-A126 WeakPolarHBondContact O-CB 3.49Å; R6-I130 HydrophobicContact CB-CD1 3.62Å; R6-E141 IonicContact CZ-OE1 2.77Å; R6-E141 IonicContact NH1-OE1 3.12Å; R6-E141 PolarHBondContact NH1-OE1 3.14Å; R6-E141 VanDerWaalsContact NH2-CD 3.34Å; R6-E141 IonicContact NH2-OE1 2.86Å; R6-E141 PolarHBondContact NH2-OE1 3.42Å; R6-E141 IonicContact NH2-OE2 3.28Å; R6-E141 PolarHBondContact NH2-OE2 2.89Å
7T98.8Very high92.2Very high0 Ų042.9 Ų42.90%023%0.226CC..EExtended strand (participates in β ladder)trans-127.2150.7171.7-1670000110.5I9 I77 W78 V83T7-I9 HydrophobicContact CG2-CD1 3.98Å; T7-I9 HydrophobicContact CG2-CG1 4.01Å; T7-I77 WeakPolarHBondContact O-CA 3.42Å; T7-W78 HydrophobicContact CG2-CB 4.17Å; T7-W78 PolarHBondContact N-O 3.28Å; T7-W78 PolarHBondContact O-N 2.91Å; T7-W78 VanDerWaalsContact O-N 3.12Å; T7-V83 HydrophobicContact CG2-CB 4.39Å; T7-V83 HydrophobicContact CG2-CG1 4.02Å; T7-V83 HydrophobicContact CG2-CG2 3.75Å
8F98.9Very high92.6Very high0 Ų047.6 Ų47.60%024%0.24CC..EExtended strand (participates in β ladder)trans-92.6130.7169.4172.5-99.8000109.6A10 A75 H118 G119 S120 E129 I130 W133 F134F8-A10 HydrophobicContact CE1-CB 3.7Å; F8-A10 HydrophobicContact CZ-CB 3.66Å; F8-A75 HydrophobicContact CE2-CB 3.92Å; F8-A75 HydrophobicContact CZ-CB 4.32Å; F8-H118 AromaticContact CD1-CD2 3.68Å; F8-H118 AromaticContact CE1-CD2 3.72Å; F8-G119 WeakPolarHBondContact O-CA 3.46Å; F8-S120 WeakPolarHBondContact CB-OG 3.32Å; F8-S120 PolarHBondContact N-OG 3.48Å; F8-S120 VanDerWaalsContact N-OG 3.15Å; F8-S120 PolarHBondContact O-N 3.27Å; F8-S120 VanDerWaalsContact O-N 3.11Å; F8-S120 PolarHBondContact O-OG 3.44Å; F8-E129 HydrophobicContact CB-CB 3.78Å; F8-E129 HydrophobicContact CD1-CB 3.89Å; F8-E129 HydrophobicContact CD1-CG 4.41Å; F8-E129 VanDerWaalsContact CD1-OE2 3.31Å; F8-E129 WeakPolarHBondContact CD1-OE2 3.32Å; F8-E129 HydrophobicContact CG-CB 3.89Å; F8-I130 HydrophobicContact CB-CG1 4.1Å; F8-W133 HydrophobicContact CD2-CB 4.16Å; F8-W133 HydrophobicContact CD2-CG 4.21Å; F8-W133 AromaticContact CE1-CD1 3.91Å; F8-W133 HydrophobicContact CE1-CD2 4.41Å; F8-W133 HydrophobicContact CE1-CG 4.31Å; F8-W133 AromaticContact CE1-NE1 3.75Å; F8-W133 HydrophobicContact CE2-CB 3.52Å; F8-W133 AromaticContact CE2-CD1 3.65Å; F8-W133 AromaticContact CE2-CD2 3.75Å; F8-W133 HydrophobicContact CE2-CD2 3.75Å; F8-W133 HydrophobicContact CE2-CE3 4.35Å; F8-W133 AromaticContact CE2-CG 3.34Å; F8-W133 HydrophobicContact CE2-CG 3.34Å; F8-W133 HydrophobicContact CZ-CB 4.12Å; F8-W133 AromaticContact CZ-CD1 3.43Å; F8-W133 VanDerWaalsContact CZ-CD1 3.43Å; F8-W133 AromaticContact CZ-CD2 3.41Å; F8-W133 HydrophobicContact CZ-CD2 3.41Å; F8-W133 VanDerWaalsContact CZ-CD2 3.41Å; F8-W133 AromaticContact CZ-CE2 3.48Å; F8-W133 VanDerWaalsContact CZ-CE2 3.48Å; F8-W133 HydrophobicContact CZ-CE3 4.08Å; F8-W133 AromaticContact CZ-CG 3.4Å; F8-W133 HydrophobicContact CZ-CG 3.4Å; F8-W133 VanDerWaalsContact CZ-CG 3.4Å; F8-W133 HydrophobicContact CZ-CZ2 4.19Å; F8-W133 AromaticContact CZ-NE1 3.47Å; F8-F134 HydrophobicContact CD2-CE2 4.2Å; F8-F134 HydrophobicContact CE2-CE2 4.04Å
9I98.9Very high92.9Very high0 Ų048.4 Ų48.40%026%0.261CS..EExtended strand (participates in β ladder)trans-125.1134.9173.9-55.6-64.2000107.9T7 F28 M76 L91 I117 H118T7-I9 HydrophobicContact CG2-CD1 3.98Å; T7-I9 HydrophobicContact CG2-CG1 4.01Å; I9-F28 HydrophobicContact CD1-CE1 4.08Å; I9-F28 HydrophobicContact CD1-CZ 3.77Å; I9-F28 HydrophobicContact CG1-CE1 3.98Å; I9-F28 HydrophobicContact CG1-CZ 3.83Å; I9-F28 HydrophobicContact CG2-CE2 4.3Å; I9-F28 HydrophobicContact CG2-CZ 4.23Å; I9-M76 HydrophobicContact CB-CB 4.47Å; I9-M76 HydrophobicContact CB-CE 4.05Å; I9-M76 HydrophobicContact CG2-CE 3.59Å; I9-M76 PolarHBondContact N-O 3.04Å; I9-M76 PolarHBondContact O-N 2.87Å; I9-L91 HydrophobicContact CD1-CD1 4.2Å; I9-I117 HydrophobicContact CG2-CD1 3.78Å; I9-I117 HydrophobicContact CG2-CG1 3.92Å; I9-H118 WeakPolarHBondContact CA-O 3.44Å
10A98.9Very high93.2Very high1 Ų147.1 Ų47.11%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-129.6124.9174.100000111.7F8 K12 V74 I117 H118F8-A10 HydrophobicContact CE1-CB 3.7Å; F8-A10 HydrophobicContact CZ-CB 3.66Å; A10-K12 PolarHBondContact O-N 3.18Å; A10-V74 CarbonylContact C-O 3.59Å; A10-V74 VanDerWaalsContact CA-O 3.32Å; A10-V74 WeakPolarHBondContact CA-O 3.5Å; A10-I117 CarbonylContact O-C 3.53Å; A10-I117 VanDerWaalsContact O-CA 3.32Å; A10-I117 WeakPolarHBondContact O-CA 3.4Å; A10-H118 HydrophobicContact CB-CB 4.3Å; A10-H118 PolarHBondContact N-O 3.42Å; A10-H118 PolarHBondContact O-N 3.05Å
11I98.9Very high93.5Very high0 Ų046.6 Ų46.60%025%0.253CS..EExtended strand (participates in β ladder)trans-79.3119167.6-49.2-177.8000107.2V16 V21 I24 V73 V74 M76I11-V16 HydrophobicContact CG2-CG2 4.26Å; I11-V21 HydrophobicContact CD1-CB 4.28Å; I11-V21 HydrophobicContact CD1-CG1 4.15Å; I11-V21 HydrophobicContact CD1-CG2 4.32Å; I11-I24 HydrophobicContact CD1-CB 3.84Å; I11-I24 HydrophobicContact CD1-CD1 3.96Å; I11-I24 HydrophobicContact CD1-CG2 3.76Å; I11-I24 HydrophobicContact CG1-CB 4.47Å; I11-I24 HydrophobicContact CG1-CD1 4.04Å; I11-I24 HydrophobicContact CG1-CG2 4.01Å; I11-I24 HydrophobicContact CG2-CD1 3.84Å; I11-V73 VanDerWaalsContact O-CA 3.27Å; I11-V73 WeakPolarHBondContact O-CA 3.21Å; I11-V73 VanDerWaalsContact O-CB 3.3Å; I11-V73 WeakPolarHBondContact O-CB 3.42Å; I11-V74 HydrophobicContact CB-CB 4.05Å; I11-V74 HydrophobicContact CD1-CB 4.2Å; I11-V74 HydrophobicContact CG1-CB 4.21Å; I11-V74 PolarHBondContact N-O 3.38Å; I11-V74 PolarHBondContact O-N 2.92Å; I11-M76 HydrophobicContact CD1-CE 3.93Å; I11-M76 HydrophobicContact CG1-CE 3.68Å
12K98.9Very high95.8Very high17 Ų1738.4 Ų38.47%0.07423%0.225CC..  trans-73.4167.8-176.2-62-172178-173.10111.3A10 D14 G15 V16 F67 M68 N115 I116A10-K12 PolarHBondContact O-N 3.18Å; K12-D14 VanDerWaalsContact C-N 3.26Å; K12-D14 WeakPolarHBondContact CB-OD1 3.26Å; K12-D14 PolarHBondContact O-N 3.25Å; K12-G15 WeakPolarHBondContact O-CA 3.11Å; K12-G15 PolarHBondContact O-N 3.14Å; K12-V16 PolarHBondContact O-N 3.21Å; K12-V16 VanDerWaalsContact O-N 3.17Å; K12-F67 HydrophobicContact CB-CE1 4.42Å; K12-F67 HydrophobicContact CD-CE1 4.24Å; K12-M68 HydrophobicContact CB-SD 3.94Å; K12-M68 HydrophobicContact CD-SD 3.8Å; K12-M68 HydrophobicContact CG-CE 4.19Å; K12-M68 HydrophobicContact CG-SD 3.61Å; K12-N115 WeakPolarHBondContact CE-OD1 3.43Å; K12-N115 PolarHBondContact NZ-OD1 2.89Å; K12-I116 WeakPolarHBondContact CB-O 3.45Å; K12-I116 PolarHBondContact N-O 3.45Å
13P98.9Very high97.4Very high4 Ų438.4 Ų38.43%0.02621%0.213CC..Hα-helixtrans-56.6-37.6-175.9-29.138.9000114V16 Q17 P72 V73P13-V16 PolarHBondContact O-N 3.23Å; P13-Q17 WeakPolarHBondContact O-CB 3.19Å; P13-Q17 WeakPolarHBondContact O-CG 3.48Å; P13-Q17 PolarHBondContact O-N 3.11Å; P13-P72 WeakPolarHBondContact CA-O 3.45Å; P13-V73 HydrophobicContact CG-CG1 3.95Å
14D98.8Very high98.4Very high15 Ų1536.8 Ų36.88%0.0821%0.205CC..Hα-helixtrans-66.1-35175.159.9-34000113.3K12 R18 F67 R114 I116K12-D14 VanDerWaalsContact C-N 3.26Å; K12-D14 WeakPolarHBondContact CB-OD1 3.26Å; K12-D14 PolarHBondContact O-N 3.25Å; D14-R18 VanDerWaalsContact O-CB 3.29Å; D14-R18 WeakPolarHBondContact O-CB 3.42Å; D14-R18 WeakPolarHBondContact O-CD 3.35Å; D14-R18 WeakPolarHBondContact O-CG 3.25Å; D14-R18 PolarHBondContact O-N 2.87Å; D14-R18 VanDerWaalsContact O-N 3.1Å; D14-F67 HydrophobicContact CB-CE2 4.39Å; D14-F67 HydrophobicContact CB-CZ 3.95Å; D14-F67 WeakPolarHBondContact OD1-CZ 3.5Å; D14-R114 WeakPolarHBondContact OD2-CA 3.36Å; D14-R114 WeakPolarHBondContact OD2-CB 3.49Å; D14-I116 HydrophobicContact CB-CG2 4.5Å; D14-I116 WeakPolarHBondContact OD1-CA 3.18Å; D14-I116 WeakPolarHBondContact OD2-CA 3.35Å; D14-I116 WeakPolarHBondContact OD2-CG2 3.13Å; D14-I116 PolarHBondContact OD2-N 2.94Å; D14-I116 VanDerWaalsContact OD2-N 3.11Å
15G98.9Very high98.8Very high0 Ų033.8 Ų33.80%019%0.185CC..Hα-helixtrans-65.4-39.3173.700000112.4K12 G19 L20K12-G15 WeakPolarHBondContact O-CA 3.11Å; K12-G15 PolarHBondContact O-N 3.14Å; G15-G19 PolarHBondContact O-N 3.2Å; G15-L20 WeakPolarHBondContact O-CB 3.37Å; G15-L20 PolarHBondContact O-N 2.97Å
16V98.8Very high98.8Very high25 Ų2536.2 Ų36.215%0.15220%0.195CC..Hα-helixtrans-67.3-51.5175178.70000111.3I11 K12 P13 R18 G19 V21 M40 P72 V74I11-V16 HydrophobicContact CG2-CG2 4.26Å; K12-V16 PolarHBondContact O-N 3.21Å; K12-V16 VanDerWaalsContact O-N 3.17Å; P13-V16 PolarHBondContact O-N 3.23Å; V16-R18 PolarHBondContact O-N 3.12Å; V16-R18 VanDerWaalsContact O-N 3.16Å; V16-G19 PolarHBondContact O-N 3.39Å; V16-V21 HydrophobicContact CG2-CG2 4.08Å; V16-M40 HydrophobicContact CG1-CE 3.58Å; V16-P72 HydrophobicContact CG1-CG 4.08Å; V16-P72 WeakPolarHBondContact CG2-O 3.31Å; V16-V74 HydrophobicContact CG2-CG2 4.03Å
17Q98.8Very high98.9Very high148 Ų14834.8 Ų34.869%0.69219%0.19SC*.Hα-helixtrans-58.8-29.2-179.3-72.3-69.7-7.800112.8P13 G19P13-Q17 WeakPolarHBondContact O-CB 3.19Å; P13-Q17 WeakPolarHBondContact O-CG 3.48Å; P13-Q17 PolarHBondContact O-N 3.11Å; Q17-G19 VanDerWaalsContact C-N 3.34Å
18R98.8Very high98.9Very high127 Ų12734.8 Ų34.848%0.47919%0.19SC..THydrogen-bonded Turntrans-87.62.5177.6-68.4172.461.6-150.9-3.2114.2D14 V16 L20 L108D14-R18 VanDerWaalsContact O-CB 3.29Å; D14-R18 WeakPolarHBondContact O-CB 3.42Å; D14-R18 WeakPolarHBondContact O-CD 3.35Å; D14-R18 WeakPolarHBondContact O-CG 3.25Å; D14-R18 PolarHBondContact O-N 2.87Å; D14-R18 VanDerWaalsContact O-N 3.1Å; V16-R18 PolarHBondContact O-N 3.12Å; V16-R18 VanDerWaalsContact O-N 3.16Å; R18-L20 VanDerWaalsContact C-N 3.34Å; R18-L20 HydrophobicContact CB-CD1 4.04Å; R18-L20 HydrophobicContact CB-CG 4Å; R18-L20 PolarHBondContact O-N 3.45Å; R18-L108 PolarHBondContact NH1-O 2.61Å; R18-L108 PolarHBondContact NH2-O 2.98Å
19G98.6Very high98.9Very high63 Ų6340.1 Ų40.165%0.64922%0.215SC*.THydrogen-bonded Turntrans70.226.117900000114.4G15 V16 Q17G15-G19 PolarHBondContact O-N 3.2Å; V16-G19 PolarHBondContact O-N 3.39Å; Q17-G19 VanDerWaalsContact C-N 3.34Å
20L98.9Very high98.8Very high22 Ų2246.8 Ų46.812%0.11525%0.246CC..  trans-92.65-174-61.5175.7000114.2G15 R18 G22 E23 I24 L108 I116G15-L20 WeakPolarHBondContact O-CB 3.37Å; G15-L20 PolarHBondContact O-N 2.97Å; R18-L20 VanDerWaalsContact C-N 3.34Å; R18-L20 HydrophobicContact CB-CD1 4.04Å; R18-L20 HydrophobicContact CB-CG 4Å; R18-L20 PolarHBondContact O-N 3.45Å; L20-G22 PolarHBondContact O-N 3.49Å; L20-E23 PolarHBondContact O-N 3.37Å; L20-I24 HydrophobicContact CB-CD1 4.21Å; L20-I24 WeakPolarHBondContact O-CG1 3.35Å; L20-I24 PolarHBondContact O-N 3.2Å; L20-L108 HydrophobicContact CD1-CB 4.18Å; L20-L108 HydrophobicContact CD1-CD1 4.25Å; L20-L108 HydrophobicContact CD2-CD1 4.36Å; L20-L108 HydrophobicContact CD2-CD2 4.47Å; L20-I116 HydrophobicContact CD1-CD1 3.77Å; L20-I116 HydrophobicContact CD1-CG2 4.36Å
21V98.9Very high98.8Very high38 Ų3853.9 Ų53.923%0.2327%0.273CS..Hα-helixtrans-57.1-53.1-176.3175.60000111.7I11 V16 E23 I24 I25 V74I11-V21 HydrophobicContact CD1-CB 4.28Å; I11-V21 HydrophobicContact CD1-CG1 4.15Å; I11-V21 HydrophobicContact CD1-CG2 4.32Å; V16-V21 HydrophobicContact CG2-CG2 4.08Å; V21-E23 PolarHBondContact O-N 3.5Å; V21-I24 PolarHBondContact O-N 2.86Å; V21-I25 HydrophobicContact CG1-CD1 3.78Å; V21-I25 WeakPolarHBondContact O-CG1 3.37Å; V21-I25 PolarHBondContact O-N 3.02Å; V21-I25 VanDerWaalsContact O-N 3.09Å; V21-V74 HydrophobicContact CG1-CG2 4.08Å; V21-V74 HydrophobicContact CG2-CG2 3.92Å
22G98.8Very high98.8Very high49 Ų4954.4 Ų54.451%0.50528%0.278SS..Hα-helixtrans-65.3-39.9-179.100000113.1L20 I24 I25 K26L20-G22 PolarHBondContact O-N 3.49Å; G22-I24 PolarHBondContact O-N 3.34Å; G22-I25 PolarHBondContact O-N 3.44Å; G22-K26 WeakPolarHBondContact O-CB 3.4Å; G22-K26 PolarHBondContact O-N 3.27Å
23E98.8Very high98.7Very high66 Ų6654.4 Ų54.431%0.30828%0.278SS..Hα-helixtrans-63.9-41.5179.1176.556.1-154.800111.7L20 V21 R27 L108L20-E23 PolarHBondContact O-N 3.37Å; V21-E23 PolarHBondContact O-N 3.5Å; E23-R27 WeakPolarHBondContact O-CG 3.23Å; E23-R27 PolarHBondContact O-N 3.42Å; E23-R27 IonicContact OE1-CZ 2.73Å; E23-R27 IonicContact OE1-NE 2.82Å; E23-R27 PolarHBondContact OE1-NE 2.9Å; E23-R27 IonicContact OE1-NH2 3.23Å; E23-R27 PolarHBondContact OE1-NH2 3.19Å; E23-L108 HydrophobicContact CG-CD1 4.27Å
24I98.9Very high98.7Very high0 Ų055.8 Ų55.80%028%0.283CS..Hα-helixtrans-65.7-49.7176.5-72.1165.5000110.7I11 L20 V21 G22 K26 R27 F28 M76 I104 I116 I117I11-I24 HydrophobicContact CD1-CB 3.84Å; I11-I24 HydrophobicContact CD1-CD1 3.96Å; I11-I24 HydrophobicContact CD1-CG2 3.76Å; I11-I24 HydrophobicContact CG1-CB 4.47Å; I11-I24 HydrophobicContact CG1-CD1 4.04Å; I11-I24 HydrophobicContact CG1-CG2 4.01Å; I11-I24 HydrophobicContact CG2-CD1 3.84Å; L20-I24 HydrophobicContact CB-CD1 4.21Å; L20-I24 WeakPolarHBondContact O-CG1 3.35Å; L20-I24 PolarHBondContact O-N 3.2Å; V21-I24 PolarHBondContact O-N 2.86Å; G22-I24 PolarHBondContact O-N 3.34Å; I24-K26 VanDerWaalsContact C-N 3.32Å; I24-K26 PolarHBondContact O-N 2.99Å; I24-R27 PolarHBondContact O-N 3.29Å; I24-F28 HydrophobicContact CG2-CD2 4.5Å; I24-F28 HydrophobicContact CG2-CE2 4.38Å; I24-F28 WeakPolarHBondContact O-CD2 3.46Å; I24-M76 HydrophobicContact CG2-CE 4.41Å; I24-I104 HydrophobicContact CD1-CG2 4.44Å; I24-I104 HydrophobicContact CG1-CG2 4.09Å; I24-I104 HydrophobicContact CG2-CD1 4.35Å; I24-I116 HydrophobicContact CD1-CD1 4.27Å; I24-I116 HydrophobicContact CD1-CG1 4.49Å; I24-I117 HydrophobicContact CD1-CD1 4.23Å; I24-I117 HydrophobicContact CG1-CD1 4.39Å; I24-I117 HydrophobicContact CG2-CD1 3.45Å; I24-I117 VanDerWaalsContact CG2-CD1 3.45Å
25I98.9Very high98.7Very high22 Ų2256.9 Ų56.911%0.11329%0.288CS..Hα-helixtrans-57.6-48.1179.8-70.6167.7000110.2V21 G22 R27 F28 E29 M38 M76 W78V21-I25 HydrophobicContact CG1-CD1 3.78Å; V21-I25 WeakPolarHBondContact O-CG1 3.37Å; V21-I25 PolarHBondContact O-N 3.02Å; V21-I25 VanDerWaalsContact O-N 3.09Å; G22-I25 PolarHBondContact O-N 3.44Å; I25-R27 PolarHBondContact O-N 3.39Å; I25-F28 PolarHBondContact O-N 3.43Å; I25-E29 HydrophobicContact CG2-CG 4.03Å; I25-E29 PolarHBondContact O-N 3.41Å; I25-M38 HydrophobicContact CD1-SD 3.63Å; I25-M76 HydrophobicContact CD1-SD 4.24Å; I25-M76 HydrophobicContact CG1-SD 3.66Å; I25-W78 HydrophobicContact CG2-CH2 4.22Å; I25-W78 HydrophobicContact CG2-CZ2 4.19Å
26K98.9Very high98.7Very high91 Ų9157 Ų5740%0.39629%0.289SS..Hα-helixtrans-52.9-40.8178.8177.5-176.4171.8-167.90112.4G22 I24 F28 E29 Q30G22-K26 WeakPolarHBondContact O-CB 3.4Å; G22-K26 PolarHBondContact O-N 3.27Å; I24-K26 VanDerWaalsContact C-N 3.32Å; I24-K26 PolarHBondContact O-N 2.99Å; K26-F28 VanDerWaalsContact C-N 3.33Å; K26-F28 PolarHBondContact O-N 2.99Å; K26-E29 PolarHBondContact O-N 3.31Å; K26-Q30 HydrophobicContact CG-CG 4.1Å; K26-Q30 VanDerWaalsContact O-CB 3.31Å; K26-Q30 WeakPolarHBondContact O-CB 3.46Å; K26-Q30 VanDerWaalsContact O-CG 3.26Å; K26-Q30 WeakPolarHBondContact O-CG 3.34Å; K26-Q30 PolarHBondContact O-N 3.29Å
27R98.9Very high98.7Very high42 Ų4256.1 Ų56.116%0.15828%0.284CS..Hα-helixtrans-62.8-37.7178.7-71.8176.6-177.1-139.65.6112.4E23 I24 I25 R31 M90 G102 D107E23-R27 WeakPolarHBondContact O-CG 3.23Å; E23-R27 PolarHBondContact O-N 3.42Å; E23-R27 IonicContact OE1-CZ 2.73Å; E23-R27 IonicContact OE1-NE 2.82Å; E23-R27 PolarHBondContact OE1-NE 2.9Å; E23-R27 IonicContact OE1-NH2 3.23Å; E23-R27 PolarHBondContact OE1-NH2 3.19Å; I24-R27 PolarHBondContact O-N 3.29Å; I25-R27 PolarHBondContact O-N 3.39Å; R27-R31 WeakPolarHBondContact O-CB 3.32Å; R27-R31 PolarHBondContact O-N 2.81Å; R27-M90 HydrophobicContact CB-CE 4.27Å; R27-M90 VanDerWaalsContact O-CE 3.25Å; R27-M90 WeakPolarHBondContact O-CE 3.29Å; R27-G102 PolarHBondContact NH1-O 3.08Å; R27-D107 IonicContact CZ-OD2 3.91Å; R27-D107 VanDerWaalsContact CZ-OD2 3.28Å; R27-D107 IonicContact NH1-OD2 3.43Å; R27-D107 PolarHBondContact NH1-OD2 2.8Å; R27-D107 IonicContact NH2-OD2 2.66Å; R27-D107 PolarHBondContact NH2-OD2 3.09Å
28F98.9Very high98.7Very high0 Ų053.8 Ų53.80%028%0.275CS..Hα-helixtrans-72.9-41.1175.1-78-94.4000112.4I9 I24 I25 K26 R31 G32 F33 W78 M90 L91 I104 I117I9-F28 HydrophobicContact CD1-CE1 4.08Å; I9-F28 HydrophobicContact CD1-CZ 3.77Å; I9-F28 HydrophobicContact CG1-CE1 3.98Å; I9-F28 HydrophobicContact CG1-CZ 3.83Å; I9-F28 HydrophobicContact CG2-CE2 4.3Å; I9-F28 HydrophobicContact CG2-CZ 4.23Å; I24-F28 HydrophobicContact CG2-CD2 4.5Å; I24-F28 HydrophobicContact CG2-CE2 4.38Å; I24-F28 WeakPolarHBondContact O-CD2 3.46Å; I25-F28 PolarHBondContact O-N 3.43Å; K26-F28 VanDerWaalsContact C-N 3.33Å; K26-F28 PolarHBondContact O-N 2.99Å; F28-R31 WeakPolarHBondContact O-CB 3.45Å; F28-R31 PolarHBondContact O-N 2.66Å; F28-G32 PolarHBondContact O-N 2.87Å; F28-F33 AromaticContact CD1-CD2 3.99Å; F28-F33 HydrophobicContact CD1-CD2 3.99Å; F28-F33 PolarHBondContact O-N 2.92Å; F28-W78 HydrophobicContact CB-CD2 3.73Å; F28-W78 HydrophobicContact CB-CE3 3.76Å; F28-W78 HydrophobicContact CB-CH2 3.53Å; F28-W78 HydrophobicContact CB-CZ2 3.47Å; F28-W78 VanDerWaalsContact CB-CZ2 3.47Å; F28-W78 HydrophobicContact CB-CZ3 3.66Å; F28-W78 HydrophobicContact CD1-CB 4.43Å; F28-W78 AromaticContact CD1-CD2 3.93Å; F28-W78 HydrophobicContact CD1-CD2 3.93Å; F28-W78 HydrophobicContact CD1-CE3 4.47Å; F28-W78 AromaticContact CD1-CG 3.89Å; F28-W78 HydrophobicContact CD1-CG 3.89Å; F28-W78 HydrophobicContact CE1-CG 4.43Å; F28-W78 HydrophobicContact CG-CD2 4.01Å; F28-W78 AromaticContact CG-CE2 3.82Å; F28-W78 HydrophobicContact CG-CE3 4.48Å; F28-W78 HydrophobicContact CG-CG 4.37Å; F28-W78 HydrophobicContact CG-CZ2 4.15Å; F28-M90 HydrophobicContact CD1-CE 4.28Å; F28-M90 HydrophobicContact CD2-CE 4.34Å; F28-M90 HydrophobicContact CG-CE 4.18Å; F28-L91 HydrophobicContact CE2-CD1 4.06Å; F28-L91 HydrophobicContact CZ-CD1 3.59Å; F28-I104 HydrophobicContact CE2-CD1 3.94Å; F28-I117 HydrophobicContact CE2-CD1 4.45Å
29E98.8Very high98.7Very high112 Ų11250.2 Ų50.252%0.52326%0.263SS..Hα-helixtrans-62.1-48.9176.2-65.6-176.9131.700111.7I25 K26 R31 G32 W78I25-E29 HydrophobicContact CG2-CG 4.03Å; I25-E29 PolarHBondContact O-N 3.41Å; K26-E29 PolarHBondContact O-N 3.31Å; E29-R31 PolarHBondContact O-N 3.49Å; E29-G32 PolarHBondContact O-N 3.43Å; E29-W78 HydrophobicContact CG-CH2 3.7Å; E29-W78 HydrophobicContact CG-CZ3 4.19Å
30Q98.5Very high98.7Very high141 Ų14152.9 Ų52.966%0.65926%0.259SS*.Hα-helixtrans-63.8-26.5179.2-73-175.8-33.800112.7K26 G32K26-Q30 HydrophobicContact CG-CG 4.1Å; K26-Q30 VanDerWaalsContact O-CB 3.31Å; K26-Q30 WeakPolarHBondContact O-CB 3.46Å; K26-Q30 VanDerWaalsContact O-CG 3.26Å; K26-Q30 WeakPolarHBondContact O-CG 3.34Å; K26-Q30 PolarHBondContact O-N 3.29Å; Q30-G32 VanDerWaalsContact C-N 3.26Å
31R98Very high98.7Very high150 Ų15054 Ų5457%0.56627%0.266SS*.Hα-helixtrans-71.8-21.9173.7-173.260.1169.6167.20.9112.5R27 F28 E29 F33 M90R27-R31 WeakPolarHBondContact O-CB 3.32Å; R27-R31 PolarHBondContact O-N 2.81Å; F28-R31 WeakPolarHBondContact O-CB 3.45Å; F28-R31 PolarHBondContact O-N 2.66Å; E29-R31 PolarHBondContact O-N 3.49Å; R31-F33 HydrophobicContact CB-CD2 4.09Å; R31-F33 HydrophobicContact CB-CE2 4.31Å; R31-F33 HydrophobicContact CG-CD2 3.78Å; R31-F33 HydrophobicContact CG-CE2 3.51Å; R31-F33 HydrophobicContact CG-CZ 4.18Å; R31-M90 HydrophobicContact CB-CE 3.98Å; R31-M90 HydrophobicContact CB-SD 4.15Å; R31-M90 HydrophobicContact CG-CE 4.28Å; R31-M90 HydrophobicContact CG-SD 3.78Å
32G98.1Very high98.7Very high11 Ų1158.5 Ų58.511%0.11328%0.284CS..THydrogen-bonded Turntrans95.411.5-17800000114.6F28 E29 Q30F28-G32 PolarHBondContact O-N 2.87Å; E29-G32 PolarHBondContact O-N 3.43Å; Q30-G32 VanDerWaalsContact C-N 3.26Å
33F98.4Very high98.6Very high16 Ų1656.2 Ų56.27%0.0726%0.261CS..PPolyproline II helixtrans-74.2146.5171.6-66.8-52.8000110.8F28 R31 W78 V83 N86 M90F28-F33 AromaticContact CD1-CD2 3.99Å; F28-F33 HydrophobicContact CD1-CD2 3.99Å; F28-F33 PolarHBondContact O-N 2.92Å; R31-F33 HydrophobicContact CB-CD2 4.09Å; R31-F33 HydrophobicContact CB-CE2 4.31Å; R31-F33 HydrophobicContact CG-CD2 3.78Å; R31-F33 HydrophobicContact CG-CE2 3.51Å; R31-F33 HydrophobicContact CG-CZ 4.18Å; F33-W78 HydrophobicContact CB-CE3 3.8Å; F33-W78 HydrophobicContact CB-CZ3 4.48Å; F33-W78 WeakPolarHBondContact O-CZ3 3.49Å; F33-V83 HydrophobicContact CB-CG2 4.38Å; F33-V83 HydrophobicContact CD1-CB 3.96Å; F33-V83 HydrophobicContact CD1-CG2 3.53Å; F33-V83 HydrophobicContact CD2-CG2 4.01Å; F33-V83 HydrophobicContact CE1-CB 3.79Å; F33-V83 HydrophobicContact CE1-CG2 3.71Å; F33-V83 HydrophobicContact CE2-CG2 4.14Å; F33-V83 HydrophobicContact CG-CG2 3.71Å; F33-V83 HydrophobicContact CZ-CB 4.29Å; F33-V83 HydrophobicContact CZ-CG2 4.02Å; F33-N86 HydrophobicContact CE2-CB 4.07Å; F33-N86 HydrophobicContact CZ-CB 3.57Å; F33-M90 HydrophobicContact CD2-SD 4.24Å; F33-M90 HydrophobicContact CE2-SD 3.76Å
34R98.4Very high98.6Very high34 Ų3456.1 Ų56.113%0.12827%0.267CS..EExtended strand (participates in β ladder)trans-92.7118.7-177.7-169.2171.469.295.3-11.2109.6V36 W78 E79 V140 E141 Y142R34-V36 HydrophobicContact CG-CG1 4.21Å; R34-V36 VanDerWaalsContact CZ-CG1 3.47Å; R34-V36 PolarHBondContact O-N 3.34Å; R34-W78 CarbonylContact O-C 3.56Å; R34-W78 WeakPolarHBondContact O-CA 3.36Å; R34-E79 HydrophobicContact CB-CB 4.37Å; R34-E79 IonicContact CZ-OE1 3.31Å; R34-E79 VanDerWaalsContact CZ-OE1 3.31Å; R34-E79 PolarHBondContact N-O 3.5Å; R34-E79 IonicContact NE-OE1 3.2Å; R34-E79 PolarHBondContact NE-OE1 2.96Å; R34-E79 IonicContact NH2-OE1 2.81Å; R34-E79 PolarHBondContact NH2-OE1 2.94Å; R34-E79 IonicContact NH2-OE2 3.39Å; R34-E79 PolarHBondContact NH2-OE2 2.87Å; R34-E79 VanDerWaalsContact NH2-OE2 3.17Å; R34-E79 PolarHBondContact O-N 3.18Å; R34-V140 PolarHBondContact NH1-O 2.82Å; R34-E141 IonicContact CZ-OE2 3.79Å; R34-E141 IonicContact NH1-OE2 3.75Å; R34-E141 IonicContact NH2-OE2 2.87Å; R34-E141 PolarHBondContact NH2-OE2 3.24Å; R34-Y142 HydrophobicContact CG-CE1 3.75Å; R34-Y142 HydrophobicContact CG-CE2 3.95Å; R34-Y142 WeakPolarHBondContact CG-OH 3.45Å; R34-Y142 VanDerWaalsContact NH1-CD1 3.27Å; R34-Y142 PolarHBondContact NH1-O 3.44Å; R34-Y142 VanDerWaalsContact NH1-O 3.12Å
35L98.8Very high98.4Very high38 Ų3860.1 Ų60.120%0.19929%0.286CS..EExtended strand (participates in β ladder)trans-72.3121.4171.3-178.664000108.8A37 M38 M76 W78 Y142L35-A37 WeakPolarHBondContact CD1-O 3.26Å; L35-M38 HydrophobicContact CD1-CB 4.29Å; L35-M38 HydrophobicContact CD2-CB 4.27Å; L35-M38 HydrophobicContact CD2-SD 4.45Å; L35-M76 HydrophobicContact CD1-CB 4.23Å; L35-M76 HydrophobicContact CD1-CG 4.41Å; L35-W78 HydrophobicContact CB-CD2 4.49Å; L35-W78 HydrophobicContact CB-CE3 4.01Å; L35-W78 HydrophobicContact CB-CH2 3.77Å; L35-W78 HydrophobicContact CB-CZ2 4.27Å; L35-W78 HydrophobicContact CB-CZ3 3.64Å; L35-W78 HydrophobicContact CD1-CD2 4.13Å; L35-W78 HydrophobicContact CD1-CE3 4.49Å; L35-W78 HydrophobicContact CD1-CH2 4.16Å; L35-W78 HydrophobicContact CD1-CZ2 3.77Å; L35-W78 HydrophobicContact CG-CH2 4.39Å; L35-W78 HydrophobicContact CG-CZ2 4.46Å; L35-Y142 WeakPolarHBondContact O-CE1 3.42Å; L35-Y142 PolarHBondContact O-OH 3.39Å
36V98.7Very high98.4Very high3 Ų364.9 Ų64.92%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-115.7-15.3-178.1-56.30000113.8R34 I77 E79 V139 V140R34-V36 HydrophobicContact CG-CG1 4.21Å; R34-V36 VanDerWaalsContact CZ-CG1 3.47Å; R34-V36 PolarHBondContact O-N 3.34Å; V36-I77 HydrophobicContact CG2-CB 3.67Å; V36-I77 HydrophobicContact CG2-CG2 3.35Å; V36-I77 WeakPolarHBondContact CG2-O 3.13Å; V36-I77 PolarHBondContact N-O 3.49Å; V36-E79 HydrophobicContact CG1-CB 3.8Å; V36-V139 HydrophobicContact CB-CG1 4.13Å; V36-V139 HydrophobicContact CG2-CG1 3.92Å; V36-V140 PolarHBondContact O-N 2.94Å
37A98.8Very high98.4Very high6 Ų662.7 Ų62.75%0.0530%0.302CS..EExtended strand (participates in β ladder)trans-156.2147.116900000110L35 M76 I77 F134 E138 V139L35-A37 WeakPolarHBondContact CD1-O 3.26Å; A37-M76 CarbonylContact O-C 3.6Å; A37-M76 WeakPolarHBondContact O-CA 3.4Å; A37-I77 HydrophobicContact CB-CB 4.05Å; A37-I77 HydrophobicContact CB-CD1 3.84Å; A37-I77 HydrophobicContact CB-CG1 3.99Å; A37-I77 PolarHBondContact N-O 3.33Å; A37-I77 PolarHBondContact O-N 3.25Å; A37-F134 HydrophobicContact CB-CD1 3.82Å; A37-F134 HydrophobicContact CB-CE1 3.63Å; A37-F134 HydrophobicContact CB-CG 4.45Å; A37-F134 HydrophobicContact CB-CZ 4.12Å; A37-E138 WeakPolarHBondContact CB-O 3.1Å; A37-V139 HydrophobicContact CB-CG2 4.46Å
38M98.8Very high98.3Very high99 Ų9960.7 Ų60.749%0.48830%0.295SS..EExtended strand (participates in β ladder)trans-152.7138.6172.2179.9174.869.600110.1I25 L35 V74 A75 M76I25-M38 HydrophobicContact CD1-SD 3.63Å; L35-M38 HydrophobicContact CD1-CB 4.29Å; L35-M38 HydrophobicContact CD2-CB 4.27Å; L35-M38 HydrophobicContact CD2-SD 4.45Å; M38-V74 HydrophobicContact CG-CG1 3.91Å; M38-V74 HydrophobicContact SD-CG1 4.13Å; M38-A75 WeakPolarHBondContact CA-O 3.34Å; M38-M76 HydrophobicContact CB-CG 4.26Å; M38-M76 HydrophobicContact CG-CG 3.89Å; M38-M76 HydrophobicContact SD-CG 4.38Å; M38-M76 HydrophobicContact SD-SD 4.49Å
39K98.7Very high98.3Very high52 Ų5264 Ų6423%0.22631%0.309CS..EExtended strand (participates in β ladder)trans-151.2145.9167.261.1-176.5171.8-168.70111.6L41 A75 W133 F134 E138K39-L41 HydrophobicContact CD-CD2 4.31Å; K39-L41 HydrophobicContact CG-CD2 3.85Å; K39-A75 HydrophobicContact CG-CB 4.37Å; K39-A75 PolarHBondContact N-O 2.62Å; K39-A75 PolarHBondContact O-N 2.94Å; K39-W133 WeakPolarHBondContact CE-O 3.24Å; K39-W133 PolarHBondContact NZ-O 2.93Å; K39-F134 HydrophobicContact CD-CD1 4.31Å; K39-F134 HydrophobicContact CD-CE1 3.92Å; K39-F134 HydrophobicContact CG-CE1 3.72Å; K39-F134 HydrophobicContact CG-CZ 4.03Å; K39-E138 WeakPolarHBondContact CD-OE1 3.26Å; K39-E138 IonicContact NZ-OE1 3.48Å; K39-E138 PolarHBondContact NZ-OE1 3.31Å; K39-E138 IonicContact NZ-OE2 3.81Å; K39-E138 PolarHBondContact NZ-OE2 2.82Å
40M98.8Very high98.3Very high118 Ų11863.4 Ų63.458%0.58131%0.307SS*.EExtended strand (participates in β ladder)trans-95.9129.4167.5-173.5173.1-174.200108.5V16 P72 V73 V74V16-M40 HydrophobicContact CG1-CE 3.58Å; M40-P72 HydrophobicContact CE-CB 3.52Å; M40-P72 HydrophobicContact CE-CG 3.55Å; M40-P72 HydrophobicContact CG-CB 4.33Å; M40-V73 WeakPolarHBondContact CA-O 3.43Å; M40-V74 HydrophobicContact CB-CG2 4.35Å; M40-V74 HydrophobicContact CG-CG2 4.24Å
41L98.6Very high98.2Very high47 Ų4757.3 Ų57.325%0.24628%0.278CS..EExtended strand (participates in β ladder)trans-151.1161.1-178.770.9154.8000110.8K39 P72 V73 A75 W133K39-L41 HydrophobicContact CD-CD2 4.31Å; K39-L41 HydrophobicContact CG-CD2 3.85Å; L41-P72 CarbonylContact O-C 3.57Å; L41-P72 VanDerWaalsContact O-CA 3.3Å; L41-P72 WeakPolarHBondContact O-CA 3.36Å; L41-V73 HydrophobicContact CD2-CG2 4.02Å; L41-V73 HydrophobicContact CG-CG2 4.24Å; L41-V73 PolarHBondContact N-O 3.32Å; L41-V73 PolarHBondContact O-N 3.02Å; L41-A75 HydrophobicContact CD2-CB 3.92Å; L41-W133 HydrophobicContact CD1-CE3 4.49Å; L41-W133 HydrophobicContact CD1-CZ3 4.27Å; L41-W133 HydrophobicContact CD2-CE3 4.34Å; L41-W133 HydrophobicContact CD2-CZ3 4.15Å; L41-W133 HydrophobicContact CG-CZ3 4.49Å
42Q98.4Very high98.2Very high131 Ų13151 Ų5161%0.61226%0.255SS*.  trans-97110.3163-173.3169.2-1.200108.2
43A97.8Very high98.1Very high2 Ų253 Ų532%0.01726%0.262CS..  trans-72.1136-179.500000110.3V48 H69 W133A43-V48 HydrophobicContact CB-CG2 3.68Å; A43-H69 PolarHBondContact O-ND1 3.17Å; A43-W133 HydrophobicContact CB-CH2 3.84Å; A43-W133 HydrophobicContact CB-CZ3 4.05Å
44S98.1Very high97.9Very high63 Ų6358.2 Ų58.244%0.44129%0.291SS..  trans-68.1156.2173.168.30000110.9D46 H47 V48S44-D46 VanDerWaalsContact C-N 3.29Å; S44-D46 PolarHBondContact O-N 3.18Å; S44-H47 WeakPolarHBondContact O-CB 3.29Å; S44-H47 PolarHBondContact O-N 2.73Å; S44-H47 VanDerWaalsContact O-N 3.17Å; S44-H47 VanDerWaalsContact OG-CB 3.32Å; S44-H47 WeakPolarHBondContact OG-CB 3.3Å; S44-H47 PolarHBondContact OG-N 3.3Å; S44-V48 WeakPolarHBondContact O-CG2 3.18Å; S44-V48 PolarHBondContact O-N 2.82Å
45E96.1Very high97.8Very high85 Ų8559.5 Ų59.540%0.39730%0.299SS..Hα-helixtrans-58-42.7178.1-166.3-174.2162.200111.8H47 V48 K49E45-H47 VanDerWaalsContact C-N 3.33Å; E45-H47 PolarHBondContact O-N 2.99Å; E45-V48 PolarHBondContact O-N 3.31Å; E45-K49 VanDerWaalsContact CD-NZ 3.33Å; E45-K49 HydrophobicContact CG-CD 4.33Å; E45-K49 WeakPolarHBondContact O-CB 3.49Å; E45-K49 WeakPolarHBondContact O-CG 3.4Å; E45-K49 PolarHBondContact O-N 2.81Å; E45-K49 WeakPolarHBondContact OE1-CE 3.27Å; E45-K49 IonicContact OE1-NZ 3.17Å; E45-K49 PolarHBondContact OE1-NZ 3.2Å
46D97.8Very high97.7Very high121 Ų12163.2 Ų63.265%0.64731%0.314SS*.Hα-helixtrans-62.1-39.5177.4-68.4-20.1000112.4S44 K49 Q50S44-D46 VanDerWaalsContact C-N 3.29Å; S44-D46 PolarHBondContact O-N 3.18Å; D46-K49 PolarHBondContact O-N 3.01Å; D46-Q50 WeakPolarHBondContact O-CB 3.45Å; D46-Q50 PolarHBondContact O-N 3.3Å
47H98.2Very high97.6Very high45 Ų4569.7 Ų69.721%0.20835%0.348CS..Hα-helixtrans-64.6-42.8177.2-167.891.6000111.4S44 E45 Q50 H51 L132 W133S44-H47 WeakPolarHBondContact O-CB 3.29Å; S44-H47 PolarHBondContact O-N 2.73Å; S44-H47 VanDerWaalsContact O-N 3.17Å; S44-H47 VanDerWaalsContact OG-CB 3.32Å; S44-H47 WeakPolarHBondContact OG-CB 3.3Å; S44-H47 PolarHBondContact OG-N 3.3Å; E45-H47 VanDerWaalsContact C-N 3.33Å; E45-H47 PolarHBondContact O-N 2.99Å; H47-Q50 PolarHBondContact O-N 2.87Å; H47-H51 PolarHBondContact O-N 2.77Å; H47-L132 PolarHBondContact CE1-O 2.97Å; H47-W133 AromaticContact NE2-CD2 3.45Å; H47-W133 AromaticContact NE2-CE2 3.73Å; H47-W133 AromaticContact NE2-CE3 3.67Å; H47-W133 AromaticContact NE2-CG 3.84Å
48V97.9Very high97.5Very high1 Ų173.5 Ų73.51%0.00637%0.366CS..Hα-helixtrans-66.7-41.9176.9173.80000111.5A43 S44 E45 Q50 H51 Y52 C65 M68A43-V48 HydrophobicContact CB-CG2 3.68Å; S44-V48 WeakPolarHBondContact O-CG2 3.18Å; S44-V48 PolarHBondContact O-N 2.82Å; E45-V48 PolarHBondContact O-N 3.31Å; V48-Q50 VanDerWaalsContact C-N 3.32Å; V48-Q50 PolarHBondContact O-N 2.94Å; V48-H51 WeakPolarHBondContact O-CB 3.49Å; V48-H51 PolarHBondContact O-N 3.5Å; V48-Y52 HydrophobicContact CG1-CD2 3.88Å; V48-Y52 HydrophobicContact CG1-CE2 4.12Å; V48-Y52 WeakPolarHBondContact O-CD2 3.32Å; V48-Y52 PolarHBondContact O-N 3.46Å; V48-C65 HydrophobicContact CG1-CB 4.03Å; V48-M68 HydrophobicContact CG1-CB 3.59Å; V48-M68 HydrophobicContact CG1-CG 4.45Å; V48-M68 HydrophobicContact CG2-CB 4.09Å
49K98.1Very high97.3Very high69 Ų6974.9 Ų74.930%0.338%0.383SS..Hα-helixtrans-59.2-44.6174.5-77.9174.6179.1161.50111.3E45 D46 H51 Y52 I53 Y61 C65E45-K49 VanDerWaalsContact CD-NZ 3.33Å; E45-K49 HydrophobicContact CG-CD 4.33Å; E45-K49 WeakPolarHBondContact O-CB 3.49Å; E45-K49 WeakPolarHBondContact O-CG 3.4Å; E45-K49 PolarHBondContact O-N 2.81Å; E45-K49 WeakPolarHBondContact OE1-CE 3.27Å; E45-K49 IonicContact OE1-NZ 3.17Å; E45-K49 PolarHBondContact OE1-NZ 3.2Å; D46-K49 PolarHBondContact O-N 3.01Å; K49-H51 VanDerWaalsContact C-N 3.31Å; K49-H51 PolarHBondContact O-N 3.16Å; K49-Y52 CarbonylContact O-C 3.45Å; K49-Y52 PolarHBondContact O-N 3.1Å; K49-I53 WeakPolarHBondContact O-CA 3.37Å; K49-I53 PolarHBondContact O-N 2.92Å; K49-Y61 VanDerWaalsContact CA-OH 3.24Å; K49-Y61 WeakPolarHBondContact CA-OH 3.47Å; K49-Y61 WeakPolarHBondContact CB-OH 3.46Å; K49-Y61 HydrophobicContact CG-CE1 4.49Å; K49-Y61 WeakPolarHBondContact CG-OH 3.25Å; K49-Y61 PolarHBondContact O-OH 3.47Å; K49-C65 HydrophobicContact CG-CB 4.27Å
50Q98.3Very high97.1Very high100 Ų10077.4 Ų77.447%0.46739%0.394SS..Hα-helixtrans-63.2-37.8176.8-174.659.823.800112.2D46 H47 V48 I53 L132D46-Q50 WeakPolarHBondContact O-CB 3.45Å; D46-Q50 PolarHBondContact O-N 3.3Å; H47-Q50 PolarHBondContact O-N 2.87Å; V48-Q50 VanDerWaalsContact C-N 3.32Å; V48-Q50 PolarHBondContact O-N 2.94Å; Q50-I53 WeakPolarHBondContact O-CG2 3.29Å; Q50-L132 HydrophobicContact CB-CD1 4.39Å; Q50-L132 HydrophobicContact CB-CD2 4.42Å; Q50-L132 HydrophobicContact CG-CD1 3.82Å; Q50-L132 HydrophobicContact CG-CD2 4.19Å
51H98.3Very high97Very high12 Ų1273.4 Ų73.46%0.05637%0.373CS..Hα-helixtrans-64.3-43.4175.8176.966.1000112.1H47 V48 K49 H118 E129 L132 W133H47-H51 PolarHBondContact O-N 2.77Å; V48-H51 WeakPolarHBondContact O-CB 3.49Å; V48-H51 PolarHBondContact O-N 3.5Å; K49-H51 VanDerWaalsContact C-N 3.31Å; K49-H51 PolarHBondContact O-N 3.16Å; H51-H118 AromaticContact CE1-CD2 3.97Å; H51-H118 AromaticContact CE1-NE2 3.55Å; H51-H118 AromaticContact NE2-CD2 3.86Å; H51-H118 AromaticContact NE2-CE1 3.82Å; H51-H118 AromaticContact NE2-NE2 3.66Å; H51-E129 IonicContact CE1-OE1 2.82Å; H51-E129 PolarHBondContact CE1-OE1 3.25Å; H51-L132 HydrophobicContact CB-CD2 3.7Å; H51-W133 AromaticContact CE1-NE1 3.8Å; H51-W133 AromaticContact CG-NE1 3.6Å; H51-W133 AromaticContact ND1-NE1 3.24Å; H51-W133 PolarHBondContact ND1-NE1 3.29Å
52Y97.1Very high96.9Very high19 Ų1973.6 Ų73.68%0.07539%0.385CS..THydrogen-bonded Turntrans-95.322-179.8-67.4-61.9000114.1V48 K49 D54 L55 Y61 L64 M68V48-Y52 HydrophobicContact CG1-CD2 3.88Å; V48-Y52 HydrophobicContact CG1-CE2 4.12Å; V48-Y52 WeakPolarHBondContact O-CD2 3.32Å; V48-Y52 PolarHBondContact O-N 3.46Å; K49-Y52 CarbonylContact O-C 3.45Å; K49-Y52 PolarHBondContact O-N 3.1Å; Y52-D54 PolarHBondContact O-N 3.17Å; Y52-D54 VanDerWaalsContact O-N 3.09Å; Y52-L55 HydrophobicContact CD1-CD1 3.84Å; Y52-L55 WeakPolarHBondContact O-CA 3.3Å; Y52-L55 WeakPolarHBondContact O-CB 3.48Å; Y52-L55 PolarHBondContact O-N 3.14Å; Y52-Y61 VanDerWaalsContact O-CE2 3.26Å; Y52-Y61 WeakPolarHBondContact O-CE2 3.18Å; Y52-L64 HydrophobicContact CD1-CD2 3.71Å; Y52-L64 HydrophobicContact CD2-CD2 3.84Å; Y52-L64 HydrophobicContact CD2-CG 3.95Å; Y52-L64 HydrophobicContact CE1-CD2 3.95Å; Y52-L64 HydrophobicContact CE2-CD1 4.13Å; Y52-L64 HydrophobicContact CE2-CD2 4.04Å; Y52-L64 HydrophobicContact CE2-CG 3.94Å; Y52-L64 HydrophobicContact CG-CD2 3.66Å; Y52-L64 HydrophobicContact CG-CG 4.3Å; Y52-M68 HydrophobicContact CE2-CG 3.92Å
53I96.8Very high96.8Very high53 Ų5369.9 Ų69.927%0.27238%0.382SS..G310 helixtrans-58.1-31.2-172.4-168.861.1000113.3K49 Q50 L55 K56K49-I53 WeakPolarHBondContact O-CA 3.37Å; K49-I53 PolarHBondContact O-N 2.92Å; Q50-I53 WeakPolarHBondContact O-CG2 3.29Å; I53-L55 PolarHBondContact O-N 3.3Å; I53-K56 HydrophobicContact CD1-CB 4.4Å; I53-K56 HydrophobicContact CD1-CD 4.11Å; I53-K56 WeakPolarHBondContact O-CB 3.32Å; I53-K56 VanDerWaalsContact O-CG 3.32Å; I53-K56 WeakPolarHBondContact O-CG 3.46Å; I53-K56 PolarHBondContact O-N 2.91Å; I53-K56 VanDerWaalsContact O-N 3.16Å
54D94.3Very high96.8Very high125 Ų12571.2 Ų71.267%0.66839%0.389SS*.G310 helixtrans-70.2-12.6179-54.8-40.6000112.1Y52 K128Y52-D54 PolarHBondContact O-N 3.17Å; Y52-D54 VanDerWaalsContact O-N 3.09Å; D54-K128 IonicContact OD1-NZ 3.36Å; D54-K128 PolarHBondContact OD1-NZ 3.34Å; D54-K128 IonicContact OD2-NZ 2.68Å; D54-K128 PolarHBondContact OD2-NZ 2.92Å
55L94.8Very high96.8Very high60 Ų6068.2 Ų68.231%0.31437%0.368SS..G310 helixtrans-104.96.1176.6-53.8179.3000112.9Y52 I53 D57 M58 F60 Y61 L64Y52-L55 HydrophobicContact CD1-CD1 3.84Å; Y52-L55 WeakPolarHBondContact O-CA 3.3Å; Y52-L55 WeakPolarHBondContact O-CB 3.48Å; Y52-L55 PolarHBondContact O-N 3.14Å; I53-L55 PolarHBondContact O-N 3.3Å; L55-D57 PolarHBondContact O-N 2.95Å; L55-M58 HydrophobicContact CB-CG 4.18Å; L55-M58 HydrophobicContact CD2-CG 4.34Å; L55-M58 VanDerWaalsContact O-CB 3.25Å; L55-M58 WeakPolarHBondContact O-CB 3.32Å; L55-M58 WeakPolarHBondContact O-CG 3.45Å; L55-M58 PolarHBondContact O-N 3.27Å; L55-F60 HydrophobicContact CD1-CE2 4.28Å; L55-Y61 HydrophobicContact CB-CD2 4.24Å; L55-Y61 WeakPolarHBondContact O-CB 3.42Å; L55-L64 HydrophobicContact CD1-CD2 4Å
56K96.8Very high96.8Very high117 Ų11766.8 Ų66.851%0.50937%0.371SS..THydrogen-bonded Turntrans-54.7-31-171.369.4-179.7-174.4174.10114.8I53 M58 Y61I53-K56 HydrophobicContact CD1-CB 4.4Å; I53-K56 HydrophobicContact CD1-CD 4.11Å; I53-K56 WeakPolarHBondContact O-CB 3.32Å; I53-K56 VanDerWaalsContact O-CG 3.32Å; I53-K56 WeakPolarHBondContact O-CG 3.46Å; I53-K56 PolarHBondContact O-N 2.91Å; I53-K56 VanDerWaalsContact O-N 3.16Å; K56-M58 VanDerWaalsContact C-N 3.35Å; K56-Y61 HydrophobicContact CB-CD1 4.46Å; K56-Y61 HydrophobicContact CB-CE1 4.19Å; K56-Y61 HydrophobicContact CB-CE2 4.42Å
57D97.1Very high96.9Very high138 Ų13862.2 Ų62.274%0.73835%0.345SS*.THydrogen-bonded Turntrans-90.6-1.5-177.2-58.1-50.1000112.3L55L55-D57 PolarHBondContact O-N 2.95Å
58M96.1Very high96.9Very high87 Ų8760.1 Ų60.143%0.42934%0.336SS..SBendtrans-80.6140.8178.2-59.8-60.4-7000111L55 K56 F60 Y61L55-M58 HydrophobicContact CB-CG 4.18Å; L55-M58 HydrophobicContact CD2-CG 4.34Å; L55-M58 VanDerWaalsContact O-CB 3.25Å; L55-M58 WeakPolarHBondContact O-CB 3.32Å; L55-M58 WeakPolarHBondContact O-CG 3.45Å; L55-M58 PolarHBondContact O-N 3.27Å; K56-M58 VanDerWaalsContact C-N 3.35Å; M58-F60 HydrophobicContact CB-CD1 4.21Å; M58-F60 HydrophobicContact CB-CD2 4.32Å; M58-F60 HydrophobicContact CB-CE1 3.8Å; M58-F60 HydrophobicContact CB-CE2 3.91Å; M58-F60 HydrophobicContact CB-CG 4.46Å; M58-F60 HydrophobicContact CB-CZ 3.63Å; M58-F60 HydrophobicContact CE-CE1 3.53Å; M58-F60 HydrophobicContact CE-CZ 3.79Å; M58-F60 HydrophobicContact CG-CE1 4.28Å; M58-F60 HydrophobicContact CG-CE2 4.38Å; M58-F60 HydrophobicContact CG-CZ 3.86Å; M58-F60 PolarHBondContact O-N 2.86Å; M58-Y61 VanDerWaalsContact O-CB 3.24Å; M58-Y61 WeakPolarHBondContact O-CB 3.04Å; M58-Y61 PolarHBondContact O-N 2.8Å
59P95.6Very high96.9Very high128 Ų12863.3 Ų63.383%0.83135%0.35SS*.THydrogen-bonded Turntrans-62.7-22.6-175.124.6-34.8000113.8
60F93.8Very high96.9Very high105 Ų10563.9 Ų63.946%0.46136%0.363SS..THydrogen-bonded Turntrans-91.1-3.7179.155.9-103.4000114.1L55 M58 G62 G63 L64L55-F60 HydrophobicContact CD1-CE2 4.28Å; M58-F60 HydrophobicContact CB-CD1 4.21Å; M58-F60 HydrophobicContact CB-CD2 4.32Å; M58-F60 HydrophobicContact CB-CE1 3.8Å; M58-F60 HydrophobicContact CB-CE2 3.91Å; M58-F60 HydrophobicContact CB-CG 4.46Å; M58-F60 HydrophobicContact CB-CZ 3.63Å; M58-F60 HydrophobicContact CE-CE1 3.53Å; M58-F60 HydrophobicContact CE-CZ 3.79Å; M58-F60 HydrophobicContact CG-CE1 4.28Å; M58-F60 HydrophobicContact CG-CE2 4.38Å; M58-F60 HydrophobicContact CG-CZ 3.86Å; M58-F60 PolarHBondContact O-N 2.86Å; F60-G62 PolarHBondContact O-N 3.05Å; F60-G63 PolarHBondContact O-N 3.12Å; F60-L64 WeakPolarHBondContact O-CB 3.41Å; F60-L64 PolarHBondContact O-N 2.96Å
61Y96.4Very high96.9Very high34 Ų3459.4 Ų59.413%0.13334%0.344CS..Hα-helixtrans-57.1-47.5-173.2174-110.7000113.5K49 Y52 L55 K56 M58 G63 L64 C65K49-Y61 VanDerWaalsContact CA-OH 3.24Å; K49-Y61 WeakPolarHBondContact CA-OH 3.47Å; K49-Y61 WeakPolarHBondContact CB-OH 3.46Å; K49-Y61 HydrophobicContact CG-CE1 4.49Å; K49-Y61 WeakPolarHBondContact CG-OH 3.25Å; K49-Y61 PolarHBondContact O-OH 3.47Å; Y52-Y61 VanDerWaalsContact O-CE2 3.26Å; Y52-Y61 WeakPolarHBondContact O-CE2 3.18Å; L55-Y61 HydrophobicContact CB-CD2 4.24Å; L55-Y61 WeakPolarHBondContact O-CB 3.42Å; K56-Y61 HydrophobicContact CB-CD1 4.46Å; K56-Y61 HydrophobicContact CB-CE1 4.19Å; K56-Y61 HydrophobicContact CB-CE2 4.42Å; M58-Y61 VanDerWaalsContact O-CB 3.24Å; M58-Y61 WeakPolarHBondContact O-CB 3.04Å; M58-Y61 PolarHBondContact O-N 2.8Å; Y61-G63 PolarHBondContact O-N 2.91Å; Y61-L64 WeakPolarHBondContact O-CB 3.49Å; Y61-L64 PolarHBondContact O-N 2.94Å; Y61-C65 WeakPolarHBondContact CE2-SG 3.37Å; Y61-C65 PolarHBondContact O-N 3.33Å; Y61-C65 PolarHBondContact O-SG 2.85Å
62G97Very high96.9Very high50 Ų5060.5 Ų60.552%0.51535%0.352SS..Hα-helixtrans-60.8-44.617900000112.2F60 C65 A66F60-G62 PolarHBondContact O-N 3.05Å; G62-C65 PolarHBondContact O-N 3.35Å; G62-A66 WeakPolarHBondContact O-CB 3.15Å; G62-A66 PolarHBondContact O-N 3.04Å
63G97.1Very high97Very high53 Ų5359.6 Ų59.655%0.54635%0.349SS..Hα-helixtrans-65.5-37.9176.500000113.1F60 Y61 F67F60-G63 PolarHBondContact O-N 3.12Å; Y61-G63 PolarHBondContact O-N 2.91Å; G63-F67 VanDerWaalsContact O-CB 3.24Å; G63-F67 WeakPolarHBondContact O-CB 3.33Å; G63-F67 PolarHBondContact O-N 2.77Å
64L96.7Very high97.1Very high30 Ų3057.3 Ų57.316%0.15734%0.337CS..Hα-helixtrans-62.4-46.8174.617462000111.3Y52 L55 F60 Y61 F67 M68Y52-L64 HydrophobicContact CD1-CD2 3.71Å; Y52-L64 HydrophobicContact CD2-CD2 3.84Å; Y52-L64 HydrophobicContact CD2-CG 3.95Å; Y52-L64 HydrophobicContact CE1-CD2 3.95Å; Y52-L64 HydrophobicContact CE2-CD1 4.13Å; Y52-L64 HydrophobicContact CE2-CD2 4.04Å; Y52-L64 HydrophobicContact CE2-CG 3.94Å; Y52-L64 HydrophobicContact CG-CD2 3.66Å; Y52-L64 HydrophobicContact CG-CG 4.3Å; L55-L64 HydrophobicContact CD1-CD2 4Å; F60-L64 WeakPolarHBondContact O-CB 3.41Å; F60-L64 PolarHBondContact O-N 2.96Å; Y61-L64 WeakPolarHBondContact O-CB 3.49Å; Y61-L64 PolarHBondContact O-N 2.94Å; L64-F67 PolarHBondContact O-N 2.89Å; L64-M68 HydrophobicContact CD1-CG 4.19Å; L64-M68 WeakPolarHBondContact O-CB 3.38Å; L64-M68 WeakPolarHBondContact O-CG 3.38Å; L64-M68 PolarHBondContact O-N 3.45Å
65C97.8Very high97.3Very high1 Ų151.3 Ų51.31%0.00731%0.305CS..Hα-helixtrans-64.9-47179.7-65.40000111.6V48 K49 Y61 G62 F67 M68 H69V48-C65 HydrophobicContact CG1-CB 4.03Å; K49-C65 HydrophobicContact CG-CB 4.27Å; Y61-C65 WeakPolarHBondContact CE2-SG 3.37Å; Y61-C65 PolarHBondContact O-N 3.33Å; Y61-C65 PolarHBondContact O-SG 2.85Å; G62-C65 PolarHBondContact O-N 3.35Å; C65-F67 VanDerWaalsContact C-N 3.3Å; C65-F67 PolarHBondContact O-N 2.73Å; C65-M68 PolarHBondContact O-N 3.08Å; C65-H69 WeakPolarHBondContact O-CB 3.34Å; C65-H69 PolarHBondContact O-N 3.07Å
66A97.9Very high97.5Very high55 Ų5548.5 Ų48.546%0.45529%0.29SS..Hα-helixtrans-59.4-41.7176.500000111.8G62 H69 S70G62-A66 WeakPolarHBondContact O-CB 3.15Å; G62-A66 PolarHBondContact O-N 3.04Å; A66-H69 PolarHBondContact O-N 2.86Å; A66-S70 WeakPolarHBondContact O-CB 3.36Å; A66-S70 PolarHBondContact O-N 2.74Å
67F98.3Very high97.6Very high24 Ų2442.9 Ų42.911%0.10527%0.266CS..Hα-helixtrans-63-48.3176.6170.2-115.3000112.1K12 D14 G63 L64 C65 H69 S70K12-F67 HydrophobicContact CB-CE1 4.42Å; K12-F67 HydrophobicContact CD-CE1 4.24Å; D14-F67 HydrophobicContact CB-CE2 4.39Å; D14-F67 HydrophobicContact CB-CZ 3.95Å; D14-F67 WeakPolarHBondContact OD1-CZ 3.5Å; G63-F67 VanDerWaalsContact O-CB 3.24Å; G63-F67 WeakPolarHBondContact O-CB 3.33Å; G63-F67 PolarHBondContact O-N 2.77Å; L64-F67 PolarHBondContact O-N 2.89Å; C65-F67 VanDerWaalsContact C-N 3.3Å; C65-F67 PolarHBondContact O-N 2.73Å; F67-H69 PolarHBondContact O-N 3.19Å; F67-S70 WeakPolarHBondContact O-CB 3.1Å; F67-S70 PolarHBondContact O-N 2.76Å; F67-S70 VanDerWaalsContact O-N 3.08Å; F67-S70 PolarHBondContact O-OG 2.7Å
68M98.2Very high97.7Very high1 Ų136.4 Ų36.41%0.00523%0.231CC..Hα-helixtrans-67.8-26-179.1-74.5-68.2-62.300112.9K12 V48 Y52 L64 C65 V73K12-M68 HydrophobicContact CB-SD 3.94Å; K12-M68 HydrophobicContact CD-SD 3.8Å; K12-M68 HydrophobicContact CG-CE 4.19Å; K12-M68 HydrophobicContact CG-SD 3.61Å; V48-M68 HydrophobicContact CG1-CB 3.59Å; V48-M68 HydrophobicContact CG1-CG 4.45Å; V48-M68 HydrophobicContact CG2-CB 4.09Å; Y52-M68 HydrophobicContact CE2-CG 3.92Å; L64-M68 HydrophobicContact CD1-CG 4.19Å; L64-M68 WeakPolarHBondContact O-CB 3.38Å; L64-M68 WeakPolarHBondContact O-CG 3.38Å; L64-M68 PolarHBondContact O-N 3.45Å; C65-M68 PolarHBondContact O-N 3.08Å; M68-V73 HydrophobicContact CE-CG1 4Å
69H97.8Very high97.8Very high68 Ų6832.8 Ų32.832%0.31521%0.213SC..Hα-helixtrans-80.2-18.9172.2-178.255.4000113.7A43 C65 A66 F67 G71A43-H69 PolarHBondContact O-ND1 3.17Å; C65-H69 WeakPolarHBondContact O-CB 3.34Å; C65-H69 PolarHBondContact O-N 3.07Å; A66-H69 PolarHBondContact O-N 2.86Å; F67-H69 PolarHBondContact O-N 3.19Å; H69-G71 PolarHBondContact O-N 2.95Å
70S98.3Very high97.9Very high82 Ų8226.8 Ų26.857%0.57317%0.174SC*.SBendtrans-67-10.9-171.671.70000115.7A66 F67A66-S70 WeakPolarHBondContact O-CB 3.36Å; A66-S70 PolarHBondContact O-N 2.74Å; F67-S70 WeakPolarHBondContact O-CB 3.1Å; F67-S70 PolarHBondContact O-N 2.76Å; F67-S70 VanDerWaalsContact O-N 3.08Å; F67-S70 PolarHBondContact O-OG 2.7Å
71G98.3Very high98.1Very high6 Ų624.8 Ų24.86%0.06217%0.168CC..SBendtrans-168-179.8-179.900000112.6H69H69-G71 PolarHBondContact O-N 2.95Å
72P98.8Very high98.1Very high35 Ų3527 Ų2723%0.22718%0.182CC..  trans-70.4149.9-179.730.3-35.7000111.7P13 V16 M40 L41P13-P72 WeakPolarHBondContact CA-O 3.45Å; V16-P72 HydrophobicContact CG1-CG 4.08Å; V16-P72 WeakPolarHBondContact CG2-O 3.31Å; M40-P72 HydrophobicContact CE-CB 3.52Å; M40-P72 HydrophobicContact CE-CG 3.55Å; M40-P72 HydrophobicContact CG-CB 4.33Å; L41-P72 CarbonylContact O-C 3.57Å; L41-P72 VanDerWaalsContact O-CA 3.3Å; L41-P72 WeakPolarHBondContact O-CA 3.36Å
73V98.9Very high98.2Very high0 Ų024.6 Ų24.60%016%0.157CC..EExtended strand (participates in β ladder)trans-119.9157.6172.4-60.60000109.8I11 P13 M40 L41 M68 W133I11-V73 VanDerWaalsContact O-CA 3.27Å; I11-V73 WeakPolarHBondContact O-CA 3.21Å; I11-V73 VanDerWaalsContact O-CB 3.3Å; I11-V73 WeakPolarHBondContact O-CB 3.42Å; P13-V73 HydrophobicContact CG-CG1 3.95Å; M40-V73 WeakPolarHBondContact CA-O 3.43Å; L41-V73 HydrophobicContact CD2-CG2 4.02Å; L41-V73 HydrophobicContact CG-CG2 4.24Å; L41-V73 PolarHBondContact N-O 3.32Å; L41-V73 PolarHBondContact O-N 3.02Å; M68-V73 HydrophobicContact CE-CG1 4Å; V73-W133 HydrophobicContact CG2-CH2 4Å; V73-W133 HydrophobicContact CG2-CZ3 3.73Å
74V98.9Very high98.3Very high4 Ų422.4 Ų22.42%0.02413%0.133CC..EExtended strand (participates in β ladder)trans-109.6105168.4-177.30000108A10 I11 V16 V21 M38 M40 M76A10-V74 CarbonylContact C-O 3.59Å; A10-V74 VanDerWaalsContact CA-O 3.32Å; A10-V74 WeakPolarHBondContact CA-O 3.5Å; I11-V74 HydrophobicContact CB-CB 4.05Å; I11-V74 HydrophobicContact CD1-CB 4.2Å; I11-V74 HydrophobicContact CG1-CB 4.21Å; I11-V74 PolarHBondContact N-O 3.38Å; I11-V74 PolarHBondContact O-N 2.92Å; V16-V74 HydrophobicContact CG2-CG2 4.03Å; V21-V74 HydrophobicContact CG1-CG2 4.08Å; V21-V74 HydrophobicContact CG2-CG2 3.92Å; M38-V74 HydrophobicContact CG-CG1 3.91Å; M38-V74 HydrophobicContact SD-CG1 4.13Å; M40-V74 HydrophobicContact CB-CG2 4.35Å; M40-V74 HydrophobicContact CG-CG2 4.24Å; V74-M76 HydrophobicContact CG1-CG 4.07Å; V74-M76 HydrophobicContact CG1-SD 4.33Å
75A98.9Very high98.4Very high0 Ų028.1 Ų28.10%016%0.157CC..EExtended strand (participates in β ladder)trans-85137.917500000109.4F8 M38 K39 L41 W133 F134F8-A75 HydrophobicContact CE2-CB 3.92Å; F8-A75 HydrophobicContact CZ-CB 4.32Å; M38-A75 WeakPolarHBondContact CA-O 3.34Å; K39-A75 HydrophobicContact CG-CB 4.37Å; K39-A75 PolarHBondContact N-O 2.62Å; K39-A75 PolarHBondContact O-N 2.94Å; L41-A75 HydrophobicContact CD2-CB 3.92Å; A75-W133 HydrophobicContact CB-CE3 3.88Å; A75-W133 HydrophobicContact CB-CZ3 4.38Å; A75-F134 HydrophobicContact CB-CE2 3.81Å; A75-F134 HydrophobicContact CB-CZ 3.78Å; A75-F134 WeakPolarHBondContact O-CZ 3.42Å
76M98.9Very high98.4Very high0 Ų029.9 Ų29.90%017%0.166CC..EExtended strand (participates in β ladder)trans-143.1151-177.2-62.5173.7-66.900111.4I9 I11 I24 I25 L35 A37 M38 V74 W78I9-M76 HydrophobicContact CB-CB 4.47Å; I9-M76 HydrophobicContact CB-CE 4.05Å; I9-M76 HydrophobicContact CG2-CE 3.59Å; I9-M76 PolarHBondContact N-O 3.04Å; I9-M76 PolarHBondContact O-N 2.87Å; I11-M76 HydrophobicContact CD1-CE 3.93Å; I11-M76 HydrophobicContact CG1-CE 3.68Å; I24-M76 HydrophobicContact CG2-CE 4.41Å; I25-M76 HydrophobicContact CD1-SD 4.24Å; I25-M76 HydrophobicContact CG1-SD 3.66Å; L35-M76 HydrophobicContact CD1-CB 4.23Å; L35-M76 HydrophobicContact CD1-CG 4.41Å; A37-M76 CarbonylContact O-C 3.6Å; A37-M76 WeakPolarHBondContact O-CA 3.4Å; M38-M76 HydrophobicContact CB-CG 4.26Å; M38-M76 HydrophobicContact CG-CG 3.89Å; M38-M76 HydrophobicContact SD-CG 4.38Å; M38-M76 HydrophobicContact SD-SD 4.49Å; V74-M76 HydrophobicContact CG1-CG 4.07Å; V74-M76 HydrophobicContact CG1-SD 4.33Å; M76-W78 HydrophobicContact SD-CZ2 4.3Å
77I98.9Very high98.4Very high0 Ų027.2 Ų27.20%015%0.145CC..EExtended strand (participates in β ladder)trans-119.7123.6167.7-54.8175.6000108.2R6 T7 V36 A37 I130 F134 V139R6-I77 HydrophobicContact CB-CG2 4.02Å; R6-I77 HydrophobicContact CG-CG2 4.29Å; T7-I77 WeakPolarHBondContact O-CA 3.42Å; V36-I77 HydrophobicContact CG2-CB 3.67Å; V36-I77 HydrophobicContact CG2-CG2 3.35Å; V36-I77 WeakPolarHBondContact CG2-O 3.13Å; V36-I77 PolarHBondContact N-O 3.49Å; A37-I77 HydrophobicContact CB-CB 4.05Å; A37-I77 HydrophobicContact CB-CD1 3.84Å; A37-I77 HydrophobicContact CB-CG1 3.99Å; A37-I77 PolarHBondContact N-O 3.33Å; A37-I77 PolarHBondContact O-N 3.25Å; I77-I130 HydrophobicContact CD1-CB 4.33Å; I77-I130 HydrophobicContact CD1-CG1 4.04Å; I77-I130 HydrophobicContact CD1-CG2 3.65Å; I77-I130 HydrophobicContact CG1-CG1 4.09Å; I77-I130 HydrophobicContact CG2-CD1 3.9Å; I77-I130 HydrophobicContact CG2-CG1 4.24Å; I77-F134 HydrophobicContact CD1-CB 3.91Å; I77-F134 HydrophobicContact CD1-CD1 4.36Å; I77-F134 HydrophobicContact CD1-CD2 3.5Å; I77-F134 VanDerWaalsContact CD1-CD2 3.5Å; I77-F134 HydrophobicContact CD1-CE2 4.02Å; I77-F134 HydrophobicContact CD1-CG 3.67Å; I77-F134 HydrophobicContact CG1-CD2 3.68Å; I77-F134 HydrophobicContact CG1-CE2 3.69Å; I77-F134 HydrophobicContact CG1-CG 4.28Å; I77-F134 HydrophobicContact CG1-CZ 4.31Å; I77-V139 HydrophobicContact CD1-CG2 3.88Å
78W98.9Very high98.4Very high1 Ų129.1 Ų29.10%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-113140.1176.1-68.890.6000110.1R6 T7 I25 F28 E29 F33 R34 L35 M76 V83R6-W78 CarbonylContact C-O 3.57Å; R6-W78 VanDerWaalsContact CA-O 3.29Å; R6-W78 WeakPolarHBondContact CA-O 3.32Å; T7-W78 HydrophobicContact CG2-CB 4.17Å; T7-W78 PolarHBondContact N-O 3.28Å; T7-W78 PolarHBondContact O-N 2.91Å; T7-W78 VanDerWaalsContact O-N 3.12Å; I25-W78 HydrophobicContact CG2-CH2 4.22Å; I25-W78 HydrophobicContact CG2-CZ2 4.19Å; F28-W78 HydrophobicContact CB-CD2 3.73Å; F28-W78 HydrophobicContact CB-CE3 3.76Å; F28-W78 HydrophobicContact CB-CH2 3.53Å; F28-W78 HydrophobicContact CB-CZ2 3.47Å; F28-W78 VanDerWaalsContact CB-CZ2 3.47Å; F28-W78 HydrophobicContact CB-CZ3 3.66Å; F28-W78 HydrophobicContact CD1-CB 4.43Å; F28-W78 AromaticContact CD1-CD2 3.93Å; F28-W78 HydrophobicContact CD1-CD2 3.93Å; F28-W78 HydrophobicContact CD1-CE3 4.47Å; F28-W78 AromaticContact CD1-CG 3.89Å; F28-W78 HydrophobicContact CD1-CG 3.89Å; F28-W78 HydrophobicContact CE1-CG 4.43Å; F28-W78 HydrophobicContact CG-CD2 4.01Å; F28-W78 AromaticContact CG-CE2 3.82Å; F28-W78 HydrophobicContact CG-CE3 4.48Å; F28-W78 HydrophobicContact CG-CG 4.37Å; F28-W78 HydrophobicContact CG-CZ2 4.15Å; E29-W78 HydrophobicContact CG-CH2 3.7Å; E29-W78 HydrophobicContact CG-CZ3 4.19Å; F33-W78 HydrophobicContact CB-CE3 3.8Å; F33-W78 HydrophobicContact CB-CZ3 4.48Å; F33-W78 WeakPolarHBondContact O-CZ3 3.49Å; R34-W78 CarbonylContact O-C 3.56Å; R34-W78 WeakPolarHBondContact O-CA 3.36Å; L35-W78 HydrophobicContact CB-CD2 4.49Å; L35-W78 HydrophobicContact CB-CE3 4.01Å; L35-W78 HydrophobicContact CB-CH2 3.77Å; L35-W78 HydrophobicContact CB-CZ2 4.27Å; L35-W78 HydrophobicContact CB-CZ3 3.64Å; L35-W78 HydrophobicContact CD1-CD2 4.13Å; L35-W78 HydrophobicContact CD1-CE3 4.49Å; L35-W78 HydrophobicContact CD1-CH2 4.16Å; L35-W78 HydrophobicContact CD1-CZ2 3.77Å; L35-W78 HydrophobicContact CG-CH2 4.39Å; L35-W78 HydrophobicContact CG-CZ2 4.46Å; M76-W78 HydrophobicContact SD-CZ2 4.3Å; W78-V83 HydrophobicContact CB-CG2 4.07Å
79E98.7Very high98.4Very high12 Ų1234.4 Ų34.46%0.05618%0.179CC..EExtended strand (participates in β ladder)trans-119.7139.9-179.2-170-175.695.400111.8E5 R6 R34 V36E5-E79 CarbonylContact O-C 3.59Å; E5-E79 VanDerWaalsContact O-CA 3.23Å; E5-E79 WeakPolarHBondContact O-CA 3.49Å; E5-E79 VanDerWaalsContact O-CG 3.29Å; E5-E79 WeakPolarHBondContact O-CG 3.38Å; R6-E79 HydrophobicContact CG-CB 4.04Å; R6-E79 HydrophobicContact CG-CG 3.91Å; R6-E79 IonicContact CZ-OE2 3.63Å; R6-E79 VanDerWaalsContact CZ-OE2 3.23Å; R6-E79 IonicContact NE-OE2 3.01Å; R6-E79 PolarHBondContact NE-OE2 3.39Å; R6-E79 IonicContact NH2-OE2 2.97Å; R6-E79 PolarHBondContact NH2-OE2 3.2Å; R34-E79 HydrophobicContact CB-CB 4.37Å; R34-E79 IonicContact CZ-OE1 3.31Å; R34-E79 VanDerWaalsContact CZ-OE1 3.31Å; R34-E79 PolarHBondContact N-O 3.5Å; R34-E79 IonicContact NE-OE1 3.2Å; R34-E79 PolarHBondContact NE-OE1 2.96Å; R34-E79 IonicContact NH2-OE1 2.81Å; R34-E79 PolarHBondContact NH2-OE1 2.94Å; R34-E79 IonicContact NH2-OE2 3.39Å; R34-E79 PolarHBondContact NH2-OE2 2.87Å; R34-E79 VanDerWaalsContact NH2-OE2 3.17Å; R34-E79 PolarHBondContact O-N 3.18Å; V36-E79 HydrophobicContact CG1-CB 3.8Å
80G97.8Very high98.5Very high1 Ų132.8 Ų32.81%0.0117%0.172CC..SBendtrans163.2178.2170.800000113N3 E5 N82 V83N3-G80 WeakPolarHBondContact O-CA 3.34Å; E5-G80 WeakPolarHBondContact CB-O 3.34Å; E5-G80 PolarHBondContact O-N 3.27Å; G80-N82 PolarHBondContact O-N 3.11Å; G80-V83 WeakPolarHBondContact O-CB 3.29Å; G80-V83 PolarHBondContact O-N 3.35Å
81L97.5Very high98.5Very high63 Ų6328.9 Ų28.933%0.3314%0.144SC..THydrogen-bonded Turntrans-62.4122.8-179.7-179.762.2000111.6A2 N3 V83 N86 Y151A2-L81 HydrophobicContact CB-CD1 3.91Å; A2-L81 VanDerWaalsContact O-CD1 3.25Å; A2-L81 WeakPolarHBondContact O-CD1 3.44Å; N3-L81 HydrophobicContact CB-CB 4.45Å; L81-V83 PolarHBondContact O-N 3.47Å; L81-V83 VanDerWaalsContact O-N 3.14Å; L81-N86 PolarHBondContact O-ND2 2.83Å; L81-Y151 HydrophobicContact CB-CD1 4.46Å; L81-Y151 HydrophobicContact CB-CE1 3.8Å
82N97.4Very high98.5Very high80 Ų8029.1 Ų29.143%0.42815%0.146SC..THydrogen-bonded Turntrans51.831.7-179-60.7-52.9000113.2E5 G80 V84 K85 N86E5-N82 VanDerWaalsContact OE1-CA 3.29Å; E5-N82 WeakPolarHBondContact OE1-CA 3.38Å; G80-N82 PolarHBondContact O-N 3.11Å; N82-V84 PolarHBondContact O-N 2.86Å; N82-K85 PolarHBondContact O-N 2.94Å; N82-N86 WeakPolarHBondContact O-CB 3.42Å; N82-N86 PolarHBondContact O-N 3.19Å; N82-N86 PolarHBondContact O-ND2 3.49Å
83V98.5Very high98.5Very high0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-61.9-27.1-174.169.50000112.9E5 T7 F33 W78 G80 L81 G87E5-V83 HydrophobicContact CB-CG1 4.37Å; E5-V83 HydrophobicContact CG-CG1 4.02Å; E5-V83 WeakPolarHBondContact O-CG1 3.4Å; E5-V83 PolarHBondContact OE1-N 3.1Å; T7-V83 HydrophobicContact CG2-CB 4.39Å; T7-V83 HydrophobicContact CG2-CG1 4.02Å; T7-V83 HydrophobicContact CG2-CG2 3.75Å; F33-V83 HydrophobicContact CB-CG2 4.38Å; F33-V83 HydrophobicContact CD1-CB 3.96Å; F33-V83 HydrophobicContact CD1-CG2 3.53Å; F33-V83 HydrophobicContact CD2-CG2 4.01Å; F33-V83 HydrophobicContact CE1-CB 3.79Å; F33-V83 HydrophobicContact CE1-CG2 3.71Å; F33-V83 HydrophobicContact CE2-CG2 4.14Å; F33-V83 HydrophobicContact CG-CG2 3.71Å; F33-V83 HydrophobicContact CZ-CB 4.29Å; F33-V83 HydrophobicContact CZ-CG2 4.02Å; W78-V83 HydrophobicContact CB-CG2 4.07Å; G80-V83 WeakPolarHBondContact O-CB 3.29Å; G80-V83 PolarHBondContact O-N 3.35Å; L81-V83 PolarHBondContact O-N 3.47Å; L81-V83 VanDerWaalsContact O-N 3.14Å; V83-G87 WeakPolarHBondContact O-CA 3.34Å; V83-G87 PolarHBondContact O-N 3.02Å
84V98.5Very high98.4Very high7 Ų735.7 Ų35.74%0.04218%0.179CC..Hα-helixtrans-63.3-55.9173.5175.90000109.8E5 N82 G87 R88 L123 A126E5-V84 HydrophobicContact CG-CG2 4.18Å; E5-V84 WeakPolarHBondContact OE1-CB 3.4Å; E5-V84 WeakPolarHBondContact OE1-CG2 3.49Å; E5-V84 PolarHBondContact OE1-N 2.79Å; N82-V84 PolarHBondContact O-N 2.86Å; V84-G87 PolarHBondContact O-N 2.81Å; V84-R88 WeakPolarHBondContact O-CG 3.3Å; V84-R88 PolarHBondContact O-N 3.22Å; V84-R88 VanDerWaalsContact O-N 3.1Å; V84-L123 HydrophobicContact CB-CD2 4.48Å; V84-L123 HydrophobicContact CG2-CD2 3.78Å; V84-A126 HydrophobicContact CG2-CB 3.92Å
85K98.3Very high98.4Very high150 Ų15038 Ų3865%0.65219%0.191SC*.Hα-helixtrans-63.5-47.9-179.9-175.7-177.8179.6-179.30111.5N82 R88 L89N82-K85 PolarHBondContact O-N 2.94Å; K85-R88 PolarHBondContact O-N 3.25Å; K85-L89 WeakPolarHBondContact O-CG 3.31Å; K85-L89 PolarHBondContact O-N 2.83Å; K85-L89 VanDerWaalsContact O-N 3.11Å
86N98.4Very high98.4Very high38 Ų3838.4 Ų38.420%0.20319%0.194CC..Hα-helixtrans-67.2-37.8-178.9-77.1-49.8000112.1F33 L81 N82 L89 M90F33-N86 HydrophobicContact CE2-CB 4.07Å; F33-N86 HydrophobicContact CZ-CB 3.57Å; L81-N86 PolarHBondContact O-ND2 2.83Å; N82-N86 WeakPolarHBondContact O-CB 3.42Å; N82-N86 PolarHBondContact O-N 3.19Å; N82-N86 PolarHBondContact O-ND2 3.49Å; N86-L89 PolarHBondContact O-N 3.28Å; N86-M90 VanDerWaalsContact O-CG 3.3Å; N86-M90 WeakPolarHBondContact O-CG 3.39Å; N86-M90 PolarHBondContact O-N 3.07Å
87G98.5Very high98.3Very high0 Ų042.1 Ų42.10%022%0.224CC..Hα-helixtrans-58.8-47.7173.300000111.3V83 V84 L89 M90 L91V83-G87 WeakPolarHBondContact O-CA 3.34Å; V83-G87 PolarHBondContact O-N 3.02Å; V84-G87 PolarHBondContact O-N 2.81Å; G87-L89 VanDerWaalsContact C-N 3.34Å; G87-L89 PolarHBondContact O-N 3.15Å; G87-M90 PolarHBondContact O-N 3.24Å; G87-L91 WeakPolarHBondContact O-CD1 3.4Å; G87-L91 PolarHBondContact O-N 3.16Å
88R98.5Very high98.3Very high64 Ų6446.4 Ų46.424%0.24225%0.247CC..Hα-helixtrans-57.2-44.2174.7-72.9-67.9-56.6-171.91.3112.7V84 K85 M90 L91 G92 T94 G119 S120V84-R88 WeakPolarHBondContact O-CG 3.3Å; V84-R88 PolarHBondContact O-N 3.22Å; V84-R88 VanDerWaalsContact O-N 3.1Å; K85-R88 PolarHBondContact O-N 3.25Å; R88-M90 PolarHBondContact O-N 2.85Å; R88-L91 PolarHBondContact O-N 3.41Å; R88-G92 PolarHBondContact O-N 2.91Å; R88-G92 VanDerWaalsContact O-N 3.09Å; R88-T94 PolarHBondContact NH2-OG1 3.39Å; R88-G119 WeakPolarHBondContact CD-O 3.18Å; R88-G119 PolarHBondContact NH1-O 3.03Å; R88-S120 WeakPolarHBondContact CD-O 3.47Å; R88-S120 VanDerWaalsContact CG-O 3.27Å; R88-S120 WeakPolarHBondContact CG-O 3.3Å
89L98.6Very high98.2Very high112 Ų11247 Ų4759%0.58625%0.251SS*.Hα-helixtrans-61.9-42.6176.6-70171.8000112.1K85 N86 G87 L91 G92K85-L89 WeakPolarHBondContact O-CG 3.31Å; K85-L89 PolarHBondContact O-N 2.83Å; K85-L89 VanDerWaalsContact O-N 3.11Å; N86-L89 PolarHBondContact O-N 3.28Å; G87-L89 VanDerWaalsContact C-N 3.34Å; G87-L89 PolarHBondContact O-N 3.15Å; L89-L91 VanDerWaalsContact C-N 3.33Å; L89-L91 PolarHBondContact O-N 2.57Å; L89-G92 PolarHBondContact O-N 3.11Å
90M98.8Very high98.2Very high34 Ų3453.8 Ų53.817%0.16728%0.281CS..Hα-helixtrans-65.7-35.9176.7-70.5172.463.200112.6R27 F28 R31 F33 N86 G87 R88 G92 S103 I104R27-M90 HydrophobicContact CB-CE 4.27Å; R27-M90 VanDerWaalsContact O-CE 3.25Å; R27-M90 WeakPolarHBondContact O-CE 3.29Å; F28-M90 HydrophobicContact CD1-CE 4.28Å; F28-M90 HydrophobicContact CD2-CE 4.34Å; F28-M90 HydrophobicContact CG-CE 4.18Å; R31-M90 HydrophobicContact CB-CE 3.98Å; R31-M90 HydrophobicContact CB-SD 4.15Å; R31-M90 HydrophobicContact CG-CE 4.28Å; R31-M90 HydrophobicContact CG-SD 3.78Å; F33-M90 HydrophobicContact CD2-SD 4.24Å; F33-M90 HydrophobicContact CE2-SD 3.76Å; N86-M90 VanDerWaalsContact O-CG 3.3Å; N86-M90 WeakPolarHBondContact O-CG 3.39Å; N86-M90 PolarHBondContact O-N 3.07Å; G87-M90 PolarHBondContact O-N 3.24Å; R88-M90 PolarHBondContact O-N 2.85Å; M90-G92 VanDerWaalsContact C-N 3.34Å; M90-S103 CarbonylContact O-C 3.6Å; M90-S103 WeakPolarHBondContact O-CA 3.47Å; M90-I104 PolarHBondContact O-N 3.48Å
91L98.8Very high98.3Very high0 Ų059.5 Ų59.50%032%0.317CS..Hα-helixtrans-65.7-38.2176.2-9465.8000111.9I9 F28 G87 R88 L89 I104 R105 I117I9-L91 HydrophobicContact CD1-CD1 4.2Å; F28-L91 HydrophobicContact CE2-CD1 4.06Å; F28-L91 HydrophobicContact CZ-CD1 3.59Å; G87-L91 WeakPolarHBondContact O-CD1 3.4Å; G87-L91 PolarHBondContact O-N 3.16Å; R88-L91 PolarHBondContact O-N 3.41Å; L89-L91 VanDerWaalsContact C-N 3.33Å; L89-L91 PolarHBondContact O-N 2.57Å; L91-I104 HydrophobicContact CD1-CD1 4.08Å; L91-R105 WeakPolarHBondContact O-CB 3.26Å; L91-R105 WeakPolarHBondContact O-CG 3.49Å; L91-R105 PolarHBondContact O-N 2.9Å; L91-I117 HydrophobicContact CB-CG2 4.45Å; L91-I117 HydrophobicContact CD1-CD1 3.87Å; L91-I117 HydrophobicContact CD1-CG1 4.41Å; L91-I117 HydrophobicContact CD2-CB 4.46Å; L91-I117 HydrophobicContact CD2-CD1 4.37Å; L91-I117 HydrophobicContact CD2-CG1 4.03Å; L91-I117 HydrophobicContact CD2-CG2 3.89Å; L91-I117 HydrophobicContact CG-CD1 3.99Å; L91-I117 HydrophobicContact CG-CG1 4.14Å; L91-I117 HydrophobicContact CG-CG2 3.66Å
92G98.7Very high98.3Very high10 Ų1059.1 Ų59.110%0.10333%0.329CS..  trans88.9-178.6-169.500000112.8R88 L89 M90 S103 R105R88-G92 PolarHBondContact O-N 2.91Å; R88-G92 VanDerWaalsContact O-N 3.09Å; L89-G92 PolarHBondContact O-N 3.11Å; M90-G92 VanDerWaalsContact C-N 3.34Å; G92-S103 WeakPolarHBondContact CA-OG 3.5Å; G92-R105 PolarHBondContact O-NH1 3.3Å
93E98.6Very high98.4Very high109 Ų10955.8 Ų55.851%0.50931%0.312SS..  trans-62.6154.8179.4-64.9-51.8137.200112.5N95 D98 S99 R105E93-N95 PolarHBondContact O-N 3.35Å; E93-D98 HydrophobicContact CB-CB 3.95Å; E93-D98 HydrophobicContact CG-CB 4.11Å; E93-S99 PolarHBondContact N-OG 3.05Å; E93-S99 PolarHBondContact O-OG 3.2Å; E93-S99 VanDerWaalsContact O-OG 3.07Å; E93-R105 WeakPolarHBondContact O-CD 3.48Å; E93-R105 PolarHBondContact O-NH1 3.09Å
94T97.3Very high98.4Very high65 Ų6555.9 Ų55.940%0.39931%0.312SS..SBendtrans-59.2-39.4-178.7-56.70000111.3R88 P96 L112 N115R88-T94 PolarHBondContact NH2-OG1 3.39Å; T94-P96 WeakPolarHBondContact O-CD 3.43Å; T94-L112 HydrophobicContact CG2-CD1 3.87Å; T94-L112 WeakPolarHBondContact O-CD1 3.27Å; T94-N115 PolarHBondContact O-ND2 3.05Å
95N97.9Very high98.4Very high53 Ų5355.7 Ų55.728%0.28331%0.311SS..SBendtrans-85.4118.5171-175.211.6000110.2E93 A97 D98 S99 L112E93-N95 PolarHBondContact O-N 3.35Å; N95-A97 PolarHBondContact O-N 3.17Å; N95-A97 PolarHBondContact OD1-N 3.37Å; N95-D98 VanDerWaalsContact CB-OD2 3.3Å; N95-D98 WeakPolarHBondContact CB-OD2 3.36Å; N95-D98 PolarHBondContact ND2-OD2 3.47Å; N95-D98 PolarHBondContact O-N 2.99Å; N95-S99 PolarHBondContact O-N 3.05Å; N95-S99 PolarHBondContact O-OG 3.04Å; N95-L112 HydrophobicContact CB-CD1 4.04Å
96P98.1Very high98.4Very high8 Ų849.8 Ų49.85%0.05229%0.293CS..G310 helixtrans-57.3-30.1177.9-28.137.5000114.1T94 D98 S99 R105 C109 T111 N115T94-P96 WeakPolarHBondContact O-CD 3.43Å; P96-D98 PolarHBondContact O-N 2.8Å; P96-S99 WeakPolarHBondContact O-CB 3.14Å; P96-S99 PolarHBondContact O-N 3.35Å; P96-R105 HydrophobicContact CB-CB 4.49Å; P96-R105 HydrophobicContact CG-CB 4.47Å; P96-C109 HydrophobicContact CB-CB 3.6Å; P96-C109 HydrophobicContact CG-CB 3.44Å; P96-C109 VanDerWaalsContact CG-CB 3.44Å; P96-T111 WeakPolarHBondContact CG-O 3.26Å; P96-N115 HydrophobicContact CG-CB 3.81Å
97A97.8Very high98.4Very high78 Ų7851.5 Ų51.565%0.64530%0.302SS*.G310 helixtrans-61.2-26.7176.800000113.2N95N95-A97 PolarHBondContact O-N 3.17Å; N95-A97 PolarHBondContact OD1-N 3.37Å
98D98.4Very high98.4Very high90 Ų9053 Ų5348%0.48131%0.31SS..G310 helixtrans-96.2-9.7178.7-57.2-52.6000112.2E93 N95 P96E93-D98 HydrophobicContact CB-CB 3.95Å; E93-D98 HydrophobicContact CG-CB 4.11Å; N95-D98 VanDerWaalsContact CB-OD2 3.3Å; N95-D98 WeakPolarHBondContact CB-OD2 3.36Å; N95-D98 PolarHBondContact ND2-OD2 3.47Å; N95-D98 PolarHBondContact O-N 2.99Å; P96-D98 PolarHBondContact O-N 2.8Å
99S98.3Very high98.4Very high12 Ų1250.8 Ų50.88%0.08430%0.304CS..PPolyproline II helixtrans-73.2137.3179.7-68.60000111.5E93 N95 P96 R105E93-S99 PolarHBondContact N-OG 3.05Å; E93-S99 PolarHBondContact O-OG 3.2Å; E93-S99 VanDerWaalsContact O-OG 3.07Å; N95-S99 PolarHBondContact O-N 3.05Å; N95-S99 PolarHBondContact O-OG 3.04Å; P96-S99 WeakPolarHBondContact O-CB 3.14Å; P96-S99 PolarHBondContact O-N 3.35Å; S99-R105 WeakPolarHBondContact OG-CB 3.48Å
100K98.5Very high98.4Very high156 Ų15652.4 Ų52.468%0.67831%0.312SS*.PPolyproline II helixtrans-82.8146.4-179.3-56-54.1-179.1-168.20111.8G102 S103K100-G102 PolarHBondContact O-N 3.48Å; K100-S103 WeakPolarHBondContact O-CB 3.32Å; K100-S103 PolarHBondContact O-N 3.41Å; K100-S103 PolarHBondContact O-OG 3.07Å; K100-S103 VanDerWaalsContact O-OG 3.08Å
101P98.5Very high98.4Very high120 Ų12054.4 Ų54.478%0.77933%0.326SS*.THydrogen-bonded Turntrans-50.1137.7168-26.835.2000111.5
102G98.1Very high98.2Very high56 Ų5659.1 Ų59.158%0.57735%0.35SS*.THydrogen-bonded Turntrans94.9-19.9-172.100000114.3R27 K100 D107R27-G102 PolarHBondContact NH1-O 3.08Å; K100-G102 PolarHBondContact O-N 3.48Å; G102-D107 WeakPolarHBondContact CA-OD2 3.33Å; G102-D107 PolarHBondContact N-OD1 2.74Å
103S98.8Very high98Very high10 Ų1060.7 Ų60.77%0.0737%0.366CS..SBendtrans-81.5156.9169.887.20000111M90 G92 K100 R105 G106 D107M90-S103 CarbonylContact O-C 3.6Å; M90-S103 WeakPolarHBondContact O-CA 3.47Å; G92-S103 WeakPolarHBondContact CA-OG 3.5Å; K100-S103 WeakPolarHBondContact O-CB 3.32Å; K100-S103 PolarHBondContact O-N 3.41Å; K100-S103 PolarHBondContact O-OG 3.07Å; K100-S103 VanDerWaalsContact O-OG 3.08Å; S103-R105 VanDerWaalsContact C-N 3.35Å; S103-R105 PolarHBondContact O-N 2.76Å; S103-G106 PolarHBondContact O-N 3.33Å; S103-G106 PolarHBondContact OG-N 2.72Å; S103-D107 WeakPolarHBondContact O-CB 3.47Å; S103-D107 VanDerWaalsContact O-CG 3.26Å; S103-D107 PolarHBondContact O-N 3.11Å
104I98.9Very high98Very high1 Ų161.5 Ų61.51%0.00537%0.365CS..Hα-helixtrans-57.5-48-178.3-68.4170.2000110.9I24 F28 M90 L91 L108 I116 I117I24-I104 HydrophobicContact CD1-CG2 4.44Å; I24-I104 HydrophobicContact CG1-CG2 4.09Å; I24-I104 HydrophobicContact CG2-CD1 4.35Å; F28-I104 HydrophobicContact CE2-CD1 3.94Å; M90-I104 PolarHBondContact O-N 3.48Å; L91-I104 HydrophobicContact CD1-CD1 4.08Å; I104-L108 HydrophobicContact CG2-CD1 4.23Å; I104-L108 WeakPolarHBondContact O-CB 3Å; I104-L108 WeakPolarHBondContact O-CG 3.43Å; I104-L108 PolarHBondContact O-N 3.32Å; I104-I116 HydrophobicContact CG2-CD1 3.87Å; I104-I116 HydrophobicContact CG2-CG1 4.27Å; I104-I117 HydrophobicContact CD1-CD1 3.86Å; I104-I117 HydrophobicContact CG2-CD1 4.35Å; I104-I117 HydrophobicContact CG2-CG2 3.88Å
105R98.8Very high98Very high4 Ų458.6 Ų58.62%0.01535%0.346CS..Hα-helixtrans-73.9-34179.4-69.4173.2-171.4139.85.5112.6L91 G92 E93 P96 S99 S103 D107 C109 N115 I117L91-R105 WeakPolarHBondContact O-CB 3.26Å; L91-R105 WeakPolarHBondContact O-CG 3.49Å; L91-R105 PolarHBondContact O-N 2.9Å; G92-R105 PolarHBondContact O-NH1 3.3Å; E93-R105 WeakPolarHBondContact O-CD 3.48Å; E93-R105 PolarHBondContact O-NH1 3.09Å; P96-R105 HydrophobicContact CB-CB 4.49Å; P96-R105 HydrophobicContact CG-CB 4.47Å; S99-R105 WeakPolarHBondContact OG-CB 3.48Å; S103-R105 VanDerWaalsContact C-N 3.35Å; S103-R105 PolarHBondContact O-N 2.76Å; R105-D107 VanDerWaalsContact C-N 3.31Å; R105-C109 HydrophobicContact CB-CB 4.33Å; R105-C109 WeakPolarHBondContact O-CA 3.34Å; R105-C109 VanDerWaalsContact O-CB 3.32Å; R105-C109 WeakPolarHBondContact O-CB 3.14Å; R105-C109 PolarHBondContact O-N 3.29Å; R105-N115 HydrophobicContact CG-CB 4.34Å; R105-N115 WeakPolarHBondContact CG-O 3.32Å; R105-N115 PolarHBondContact NE-O 3.48Å; R105-I117 HydrophobicContact CG-CG2 4.19Å; R105-I117 PolarHBondContact NH2-O 3.43Å
106G98.7Very high98Very high26 Ų2656 Ų5627%0.26833%0.333SS..Hα-helixtrans-64.7-38.1177.500000112.1S103S103-G106 PolarHBondContact O-N 3.33Å; S103-G106 PolarHBondContact OG-N 2.72Å
107D98.8Very high98.1Very high73 Ų7355.7 Ų55.739%0.3933%0.331SS..Hα-helixtrans-82.9-32.8179.9-65.4-19.6000112.8R27 G102 S103 R105R27-D107 IonicContact CZ-OD2 3.91Å; R27-D107 VanDerWaalsContact CZ-OD2 3.28Å; R27-D107 IonicContact NH1-OD2 3.43Å; R27-D107 PolarHBondContact NH1-OD2 2.8Å; R27-D107 IonicContact NH2-OD2 2.66Å; R27-D107 PolarHBondContact NH2-OD2 3.09Å; G102-D107 WeakPolarHBondContact CA-OD2 3.33Å; G102-D107 PolarHBondContact N-OD1 2.74Å; S103-D107 WeakPolarHBondContact O-CB 3.47Å; S103-D107 VanDerWaalsContact O-CG 3.26Å; S103-D107 PolarHBondContact O-N 3.11Å; R105-D107 VanDerWaalsContact C-N 3.31Å
108L98.7Very high98.1Very high33 Ų3353.1 Ų53.117%0.17331%0.305CS..Hα-helixtrans-121-2.3-162.6-50.5175.6000114.2R18 L20 E23 I104 I116R18-L108 PolarHBondContact NH1-O 2.61Å; R18-L108 PolarHBondContact NH2-O 2.98Å; L20-L108 HydrophobicContact CD1-CB 4.18Å; L20-L108 HydrophobicContact CD1-CD1 4.25Å; L20-L108 HydrophobicContact CD2-CD1 4.36Å; L20-L108 HydrophobicContact CD2-CD2 4.47Å; E23-L108 HydrophobicContact CG-CD1 4.27Å; I104-L108 HydrophobicContact CG2-CD1 4.23Å; I104-L108 WeakPolarHBondContact O-CB 3Å; I104-L108 WeakPolarHBondContact O-CG 3.43Å; I104-L108 PolarHBondContact O-N 3.32Å; L108-I116 HydrophobicContact CB-CD1 3.6Å; L108-I116 HydrophobicContact CD1-CD1 4.04Å; L108-I116 HydrophobicContact CG-CD1 4.46Å
109C98.6Very high98.1Very high16 Ų1648.9 Ų48.911%0.10828%0.283CS..  trans-130.2160.3-176.6-67.90000113.3P96 R105 R114 N115 I116P96-C109 HydrophobicContact CB-CB 3.6Å; P96-C109 HydrophobicContact CG-CB 3.44Å; P96-C109 VanDerWaalsContact CG-CB 3.44Å; R105-C109 HydrophobicContact CB-CB 4.33Å; R105-C109 WeakPolarHBondContact O-CA 3.34Å; R105-C109 VanDerWaalsContact O-CB 3.32Å; R105-C109 WeakPolarHBondContact O-CB 3.14Å; R105-C109 PolarHBondContact O-N 3.29Å; C109-R114 PolarHBondContact SG-O 3.01Å; C109-N115 VanDerWaalsContact SG-CA 3.55Å; C109-I116 VanDerWaalsContact SG-CD1 3.53Å; C109-I116 WeakPolarHBondContact SG-CG1 3.42Å; C109-I116 VanDerWaalsContact SG-CG2 3.57Å
110I98.3Very high98.1Very high147 Ų14748.3 Ų48.375%0.75428%0.279SS*.  trans-122.7-43.2179.9-56.5174.5000111
111T97.3Very high98.1Very high76 Ų7646.2 Ų46.247%0.46628%0.275SS..SBendtrans-123149.9-170.465.50000113.1P96 G113 R114P96-T111 WeakPolarHBondContact CG-O 3.26Å; T111-G113 VanDerWaalsContact C-N 3.33Å; T111-G113 PolarHBondContact O-N 3.34Å; T111-R114 CarbonylContact O-C 3.31Å; T111-R114 VanDerWaalsContact O-C 3.31Å; T111-R114 PolarHBondContact O-N 3.08Å; T111-R114 VanDerWaalsContact O-N 3.08Å
112L94.9Very high98Very high99 Ų9942.6 Ų42.652%0.51825%0.252SS..G310 helixtrans-55.4-42.7-177.7179.264.9000113.4T94 N95 R114T94-L112 HydrophobicContact CG2-CD1 3.87Å; T94-L112 WeakPolarHBondContact O-CD1 3.27Å; N95-L112 HydrophobicContact CB-CD1 4.04Å; L112-R114 PolarHBondContact O-N 3.12Å
113G94.8Very high98Very high42 Ų4243.8 Ų43.843%0.43325%0.245SC..G310 helixtrans-75.1-7.9-179.100000114.9T111T111-G113 VanDerWaalsContact C-N 3.33Å; T111-G113 PolarHBondContact O-N 3.34Å
114R97.8Very high97.9Very high127 Ų12748.9 Ų48.948%0.47927%0.272SS..G310 helixtrans-134.355.7-179.7-62.3-64.8-177.9-86.5-1.2110.3D14 C109 T111 L112D14-R114 WeakPolarHBondContact OD2-CA 3.36Å; D14-R114 WeakPolarHBondContact OD2-CB 3.49Å; C109-R114 PolarHBondContact SG-O 3.01Å; T111-R114 CarbonylContact O-C 3.31Å; T111-R114 VanDerWaalsContact O-C 3.31Å; T111-R114 PolarHBondContact O-N 3.08Å; T111-R114 VanDerWaalsContact O-N 3.08Å; L112-R114 PolarHBondContact O-N 3.12Å
115N98.3Very high97.9Very high3 Ų350.2 Ų50.22%0.01628%0.281CS..  trans-96.820.2-175.673.5-9.9000114K12 T94 P96 R105 C109 I117K12-N115 WeakPolarHBondContact CE-OD1 3.43Å; K12-N115 PolarHBondContact NZ-OD1 2.89Å; T94-N115 PolarHBondContact O-ND2 3.05Å; P96-N115 HydrophobicContact CG-CB 3.81Å; R105-N115 HydrophobicContact CG-CB 4.34Å; R105-N115 WeakPolarHBondContact CG-O 3.32Å; R105-N115 PolarHBondContact NE-O 3.48Å; C109-N115 VanDerWaalsContact SG-CA 3.55Å; N115-I117 PolarHBondContact O-N 3.43Å
116I98.5Very high97.9Very high0 Ų050.1 Ų50.10%028%0.281CS..  trans50.4-19.1170.274.2-176.7000120.5K12 D14 L20 I24 I104 L108 C109K12-I116 WeakPolarHBondContact CB-O 3.45Å; K12-I116 PolarHBondContact N-O 3.45Å; D14-I116 HydrophobicContact CB-CG2 4.5Å; D14-I116 WeakPolarHBondContact OD1-CA 3.18Å; D14-I116 WeakPolarHBondContact OD2-CA 3.35Å; D14-I116 WeakPolarHBondContact OD2-CG2 3.13Å; D14-I116 PolarHBondContact OD2-N 2.94Å; D14-I116 VanDerWaalsContact OD2-N 3.11Å; L20-I116 HydrophobicContact CD1-CD1 3.77Å; L20-I116 HydrophobicContact CD1-CG2 4.36Å; I24-I116 HydrophobicContact CD1-CD1 4.27Å; I24-I116 HydrophobicContact CD1-CG1 4.49Å; I104-I116 HydrophobicContact CG2-CD1 3.87Å; I104-I116 HydrophobicContact CG2-CG1 4.27Å; L108-I116 HydrophobicContact CB-CD1 3.6Å; L108-I116 HydrophobicContact CD1-CD1 4.04Å; L108-I116 HydrophobicContact CG-CD1 4.46Å; C109-I116 VanDerWaalsContact SG-CD1 3.53Å; C109-I116 WeakPolarHBondContact SG-CG1 3.42Å; C109-I116 VanDerWaalsContact SG-CG2 3.57Å
117I98.8Very high97.8Very high0 Ų055.6 Ų55.60%030%0.297CS..EExtended strand (participates in β ladder)trans-151141.7-168.4-163.9169.9000111.9I9 A10 I24 F28 L91 I104 R105 N115I9-I117 HydrophobicContact CG2-CD1 3.78Å; I9-I117 HydrophobicContact CG2-CG1 3.92Å; A10-I117 CarbonylContact O-C 3.53Å; A10-I117 VanDerWaalsContact O-CA 3.32Å; A10-I117 WeakPolarHBondContact O-CA 3.4Å; I24-I117 HydrophobicContact CD1-CD1 4.23Å; I24-I117 HydrophobicContact CG1-CD1 4.39Å; I24-I117 HydrophobicContact CG2-CD1 3.45Å; I24-I117 VanDerWaalsContact CG2-CD1 3.45Å; F28-I117 HydrophobicContact CE2-CD1 4.45Å; L91-I117 HydrophobicContact CB-CG2 4.45Å; L91-I117 HydrophobicContact CD1-CD1 3.87Å; L91-I117 HydrophobicContact CD1-CG1 4.41Å; L91-I117 HydrophobicContact CD2-CB 4.46Å; L91-I117 HydrophobicContact CD2-CD1 4.37Å; L91-I117 HydrophobicContact CD2-CG1 4.03Å; L91-I117 HydrophobicContact CD2-CG2 3.89Å; L91-I117 HydrophobicContact CG-CD1 3.99Å; L91-I117 HydrophobicContact CG-CG1 4.14Å; L91-I117 HydrophobicContact CG-CG2 3.66Å; I104-I117 HydrophobicContact CD1-CD1 3.86Å; I104-I117 HydrophobicContact CG2-CD1 4.35Å; I104-I117 HydrophobicContact CG2-CG2 3.88Å; R105-I117 HydrophobicContact CG-CG2 4.19Å; R105-I117 PolarHBondContact NH2-O 3.43Å; N115-I117 PolarHBondContact O-N 3.43Å
118H98.8Very high97.8Very high25 Ų2556.4 Ų56.412%0.11630%0.298CS..EExtended strand (participates in β ladder)trans-112.5150.2170.7173.577.8000110F8 I9 A10 H51 E129F8-H118 AromaticContact CD1-CD2 3.68Å; F8-H118 AromaticContact CE1-CD2 3.72Å; I9-H118 WeakPolarHBondContact CA-O 3.44Å; A10-H118 HydrophobicContact CB-CB 4.3Å; A10-H118 PolarHBondContact N-O 3.42Å; A10-H118 PolarHBondContact O-N 3.05Å; H51-H118 AromaticContact CE1-CD2 3.97Å; H51-H118 AromaticContact CE1-NE2 3.55Å; H51-H118 AromaticContact NE2-CD2 3.86Å; H51-H118 AromaticContact NE2-CE1 3.82Å; H51-H118 AromaticContact NE2-NE2 3.66Å; H118-E129 IonicContact CD2-OE2 2.62Å; H118-E129 IonicContact CE1-OE1 3.35Å; H118-E129 PolarHBondContact CE1-OE1 2.97Å; H118-E129 IonicContact NE2-OE1 3.34Å; H118-E129 PolarHBondContact NE2-OE1 2.81Å; H118-E129 IonicContact NE2-OE2 2.87Å; H118-E129 PolarHBondContact NE2-OE2 3.24Å; H118-E129 VanDerWaalsContact NE2-OE2 3.12Å
119G98.6Very high97.8Very high1 Ų155.7 Ų55.71%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-152.3140.5168.400000110.5F8 R88F8-G119 WeakPolarHBondContact O-CA 3.46Å; R88-G119 WeakPolarHBondContact CD-O 3.18Å; R88-G119 PolarHBondContact NH1-O 3.03Å
120S98.6Very high97.8Very high0 Ų056.3 Ų56.30%030%0.295CS..  trans-51.7138.4179.6-45.30000111.4F8 R88 A126 E129F8-S120 WeakPolarHBondContact CB-OG 3.32Å; F8-S120 PolarHBondContact N-OG 3.48Å; F8-S120 VanDerWaalsContact N-OG 3.15Å; F8-S120 PolarHBondContact O-N 3.27Å; F8-S120 VanDerWaalsContact O-N 3.11Å; F8-S120 PolarHBondContact O-OG 3.44Å; R88-S120 WeakPolarHBondContact CD-O 3.47Å; R88-S120 VanDerWaalsContact CG-O 3.27Å; R88-S120 WeakPolarHBondContact CG-O 3.3Å; S120-A126 WeakPolarHBondContact OG-CA 3.36Å; S120-E129 WeakPolarHBondContact CA-OE2 3.49Å; S120-E129 WeakPolarHBondContact CB-OE2 3.04Å; S120-E129 PolarHBondContact OG-OE2 3.36Å
121D97Very high97.8Very high111 Ų11152.1 Ų52.159%0.59429%0.288SS*.SBendtrans-92-16.9-177.360.44.3000114S125D121-S125 WeakPolarHBondContact OD1-CB 3.46Å; D121-S125 PolarHBondContact OD1-OG 3.05Å
122S97.8Very high97.9Very high44 Ų4451 Ų5131%0.30828%0.279SS..SBendtrans-149.1165.8-179.275.90000111.1D124 S125 A126S122-D124 VanDerWaalsContact C-N 3.27Å; S122-D124 PolarHBondContact O-N 3.17Å; S122-D124 PolarHBondContact OG-N 3.03Å; S122-S125 PolarHBondContact O-N 3.26Å; S122-S125 WeakPolarHBondContact OG-CB 3.24Å; S122-S125 PolarHBondContact OG-N 3.42Å; S122-S125 PolarHBondContact OG-OG 3.43Å; S122-A126 WeakPolarHBondContact O-CB 3.45Å; S122-A126 PolarHBondContact O-N 3.4Å
123L97.2Very high98.1Very high82 Ų8246.6 Ų46.643%0.42926%0.255SS..Hα-helixtrans-62.1-36.2175.4-71.7173.7000112.3E5 V84 A126 K127E5-L123 HydrophobicContact CG-CD2 3.38Å; E5-L123 VanDerWaalsContact OE2-CD2 3.26Å; E5-L123 WeakPolarHBondContact OE2-CD2 3.41Å; V84-L123 HydrophobicContact CB-CD2 4.48Å; V84-L123 HydrophobicContact CG2-CD2 3.78Å; L123-A126 PolarHBondContact O-N 3.37Å; L123-K127 WeakPolarHBondContact O-CG 3.48Å; L123-K127 PolarHBondContact O-N 3.02Å
124D97.8Very high98.3Very high117 Ų11745.1 Ų45.163%0.62624%0.237SC*.Hα-helixtrans-73.5-41.2-179.2-66.9-27.2000110.9S122 A126 K127 K128S122-D124 VanDerWaalsContact C-N 3.27Å; S122-D124 PolarHBondContact O-N 3.17Å; S122-D124 PolarHBondContact OG-N 3.03Å; D124-A126 VanDerWaalsContact C-N 3.33Å; D124-A126 PolarHBondContact O-N 3.19Å; D124-K127 PolarHBondContact O-N 3.3Å; D124-K127 IonicContact OD1-NZ 3.32Å; D124-K128 PolarHBondContact O-N 3.42Å
125S97.9Very high98.3Very high29 Ų2945 Ų4520%0.20324%0.24CC..Hα-helixtrans-59.2-45.1170-56.60000110.9D121 S122 K127 K128 E129D121-S125 WeakPolarHBondContact OD1-CB 3.46Å; D121-S125 PolarHBondContact OD1-OG 3.05Å; S122-S125 PolarHBondContact O-N 3.26Å; S122-S125 WeakPolarHBondContact OG-CB 3.24Å; S122-S125 PolarHBondContact OG-N 3.42Å; S122-S125 PolarHBondContact OG-OG 3.43Å; S125-K127 PolarHBondContact O-N 2.86Å; S125-K128 PolarHBondContact O-N 3.26Å; S125-E129 VanDerWaalsContact O-CB 3.3Å; S125-E129 WeakPolarHBondContact O-CB 3.39Å; S125-E129 WeakPolarHBondContact O-CG 3.46Å; S125-E129 PolarHBondContact O-N 3.39Å
126A98.4Very high98.3Very high1 Ų150.3 Ų50.31%0.00828%0.275CS..Hα-helixtrans-58.6-45.2178.300000112.4R6 V84 S120 S122 L123 D124 E129 I130R6-A126 WeakPolarHBondContact O-CB 3.49Å; V84-A126 HydrophobicContact CG2-CB 3.92Å; S120-A126 WeakPolarHBondContact OG-CA 3.36Å; S122-A126 WeakPolarHBondContact O-CB 3.45Å; S122-A126 PolarHBondContact O-N 3.4Å; L123-A126 PolarHBondContact O-N 3.37Å; D124-A126 VanDerWaalsContact C-N 3.33Å; D124-A126 PolarHBondContact O-N 3.19Å; A126-E129 PolarHBondContact O-N 3.35Å; A126-I130 VanDerWaalsContact O-CB 3.26Å; A126-I130 WeakPolarHBondContact O-CB 3.34Å; A126-I130 WeakPolarHBondContact O-CD1 3.4Å; A126-I130 WeakPolarHBondContact O-CG1 3.46Å; A126-I130 PolarHBondContact O-N 2.59Å
127K97.9Very high98.3Very high141 Ų14156.9 Ų56.961%0.61331%0.305SS*.Hα-helixtrans-62-46.3176.2-69.9168.2-171.7165.20112.1L123 D124 S125 G131L123-K127 WeakPolarHBondContact O-CG 3.48Å; L123-K127 PolarHBondContact O-N 3.02Å; D124-K127 PolarHBondContact O-N 3.3Å; D124-K127 IonicContact OD1-NZ 3.32Å; S125-K127 PolarHBondContact O-N 2.86Å; K127-G131 PolarHBondContact O-N 2.92Å
128K98.2Very high98.2Very high91 Ų9160 Ų6040%0.39632%0.32SS..Hα-helixtrans-60.6-47.2178.1179.4-176.6173-174.20111D54 D124 S125 L132D54-K128 IonicContact OD1-NZ 3.36Å; D54-K128 PolarHBondContact OD1-NZ 3.34Å; D54-K128 IonicContact OD2-NZ 2.68Å; D54-K128 PolarHBondContact OD2-NZ 2.92Å; D124-K128 PolarHBondContact O-N 3.42Å; S125-K128 PolarHBondContact O-N 3.26Å; K128-L132 WeakPolarHBondContact O-CB 3.43Å; K128-L132 PolarHBondContact O-N 3.04Å
129E98.7Very high98.2Very high18 Ų1860 Ų608%0.08432%0.322CS..Hα-helixtrans-67.6-45.9-179.2-68.9175.2174.600111.6F8 H51 H118 S120 S125 A126 G131 L132 W133F8-E129 HydrophobicContact CB-CB 3.78Å; F8-E129 HydrophobicContact CD1-CB 3.89Å; F8-E129 HydrophobicContact CD1-CG 4.41Å; F8-E129 VanDerWaalsContact CD1-OE2 3.31Å; F8-E129 WeakPolarHBondContact CD1-OE2 3.32Å; F8-E129 HydrophobicContact CG-CB 3.89Å; H51-E129 IonicContact CE1-OE1 2.82Å; H51-E129 PolarHBondContact CE1-OE1 3.25Å; H118-E129 IonicContact CD2-OE2 2.62Å; H118-E129 IonicContact CE1-OE1 3.35Å; H118-E129 PolarHBondContact CE1-OE1 2.97Å; H118-E129 IonicContact NE2-OE1 3.34Å; H118-E129 PolarHBondContact NE2-OE1 2.81Å; H118-E129 IonicContact NE2-OE2 2.87Å; H118-E129 PolarHBondContact NE2-OE2 3.24Å; H118-E129 VanDerWaalsContact NE2-OE2 3.12Å; S120-E129 WeakPolarHBondContact CA-OE2 3.49Å; S120-E129 WeakPolarHBondContact CB-OE2 3.04Å; S120-E129 PolarHBondContact OG-OE2 3.36Å; S125-E129 VanDerWaalsContact O-CB 3.3Å; S125-E129 WeakPolarHBondContact O-CB 3.39Å; S125-E129 WeakPolarHBondContact O-CG 3.46Å; S125-E129 PolarHBondContact O-N 3.39Å; A126-E129 PolarHBondContact O-N 3.35Å; E129-G131 VanDerWaalsContact C-N 3.34Å; E129-G131 PolarHBondContact O-N 2.93Å; E129-L132 PolarHBondContact O-N 3.39Å; E129-L132 VanDerWaalsContact O-N 3.16Å; E129-W133 WeakPolarHBondContact O-CB 3.21Å; E129-W133 PolarHBondContact O-N 2.89Å
130I98.7Very high98.2Very high29 Ų2964.1 Ų64.115%0.14935%0.347CS..Hα-helixtrans-56.5-49.5175.9-73.5167.6000110.6R6 F8 I77 A126 L132 W133 F134R6-I130 HydrophobicContact CB-CD1 3.62Å; F8-I130 HydrophobicContact CB-CG1 4.1Å; I77-I130 HydrophobicContact CD1-CB 4.33Å; I77-I130 HydrophobicContact CD1-CG1 4.04Å; I77-I130 HydrophobicContact CD1-CG2 3.65Å; I77-I130 HydrophobicContact CG1-CG1 4.09Å; I77-I130 HydrophobicContact CG2-CD1 3.9Å; I77-I130 HydrophobicContact CG2-CG1 4.24Å; A126-I130 VanDerWaalsContact O-CB 3.26Å; A126-I130 WeakPolarHBondContact O-CB 3.34Å; A126-I130 WeakPolarHBondContact O-CD1 3.4Å; A126-I130 WeakPolarHBondContact O-CG1 3.46Å; A126-I130 PolarHBondContact O-N 2.59Å; I130-L132 VanDerWaalsContact C-N 3.27Å; I130-L132 PolarHBondContact O-N 3.47Å; I130-W133 PolarHBondContact O-N 3.38Å; I130-F134 PolarHBondContact O-N 3.48Å
131G98.4Very high98.1Very high59 Ų5969.4 Ų69.461%0.60837%0.371SS*.Hα-helixtrans-67.7-25.1179.900000114K127 E129K127-G131 PolarHBondContact O-N 2.92Å; E129-G131 VanDerWaalsContact C-N 3.34Å; E129-G131 PolarHBondContact O-N 2.93Å
132L98.6Very high98.1Very high51 Ų5169.2 Ų69.227%0.26736%0.363SS..Hα-helixtrans-74.7-46.9173.4179.562.9000111.2H47 Q50 H51 K128 E129 I130H47-L132 PolarHBondContact CE1-O 2.97Å; Q50-L132 HydrophobicContact CB-CD1 4.39Å; Q50-L132 HydrophobicContact CB-CD2 4.42Å; Q50-L132 HydrophobicContact CG-CD1 3.82Å; Q50-L132 HydrophobicContact CG-CD2 4.19Å; H51-L132 HydrophobicContact CB-CD2 3.7Å; K128-L132 WeakPolarHBondContact O-CB 3.43Å; K128-L132 PolarHBondContact O-N 3.04Å; E129-L132 PolarHBondContact O-N 3.39Å; E129-L132 VanDerWaalsContact O-N 3.16Å; I130-L132 VanDerWaalsContact C-N 3.27Å; I130-L132 PolarHBondContact O-N 3.47Å
133W98.8Very high98Very high7 Ų775.9 Ų75.93%0.02739%0.387CS..Hα-helixtrans-88.1-25.3-169.6-76.287.1000114.1F8 K39 L41 A43 H47 H51 V73 A75 E129 I130F8-W133 HydrophobicContact CD2-CB 4.16Å; F8-W133 HydrophobicContact CD2-CG 4.21Å; F8-W133 AromaticContact CE1-CD1 3.91Å; F8-W133 HydrophobicContact CE1-CD2 4.41Å; F8-W133 HydrophobicContact CE1-CG 4.31Å; F8-W133 AromaticContact CE1-NE1 3.75Å; F8-W133 HydrophobicContact CE2-CB 3.52Å; F8-W133 AromaticContact CE2-CD1 3.65Å; F8-W133 AromaticContact CE2-CD2 3.75Å; F8-W133 HydrophobicContact CE2-CD2 3.75Å; F8-W133 HydrophobicContact CE2-CE3 4.35Å; F8-W133 AromaticContact CE2-CG 3.34Å; F8-W133 HydrophobicContact CE2-CG 3.34Å; F8-W133 HydrophobicContact CZ-CB 4.12Å; F8-W133 AromaticContact CZ-CD1 3.43Å; F8-W133 VanDerWaalsContact CZ-CD1 3.43Å; F8-W133 AromaticContact CZ-CD2 3.41Å; F8-W133 HydrophobicContact CZ-CD2 3.41Å; F8-W133 VanDerWaalsContact CZ-CD2 3.41Å; F8-W133 AromaticContact CZ-CE2 3.48Å; F8-W133 VanDerWaalsContact CZ-CE2 3.48Å; F8-W133 HydrophobicContact CZ-CE3 4.08Å; F8-W133 AromaticContact CZ-CG 3.4Å; F8-W133 HydrophobicContact CZ-CG 3.4Å; F8-W133 VanDerWaalsContact CZ-CG 3.4Å; F8-W133 HydrophobicContact CZ-CZ2 4.19Å; F8-W133 AromaticContact CZ-NE1 3.47Å; K39-W133 WeakPolarHBondContact CE-O 3.24Å; K39-W133 PolarHBondContact NZ-O 2.93Å; L41-W133 HydrophobicContact CD1-CE3 4.49Å; L41-W133 HydrophobicContact CD1-CZ3 4.27Å; L41-W133 HydrophobicContact CD2-CE3 4.34Å; L41-W133 HydrophobicContact CD2-CZ3 4.15Å; L41-W133 HydrophobicContact CG-CZ3 4.49Å; A43-W133 HydrophobicContact CB-CH2 3.84Å; A43-W133 HydrophobicContact CB-CZ3 4.05Å; H47-W133 AromaticContact NE2-CD2 3.45Å; H47-W133 AromaticContact NE2-CE2 3.73Å; H47-W133 AromaticContact NE2-CE3 3.67Å; H47-W133 AromaticContact NE2-CG 3.84Å; H51-W133 AromaticContact CE1-NE1 3.8Å; H51-W133 AromaticContact CG-NE1 3.6Å; H51-W133 AromaticContact ND1-NE1 3.24Å; H51-W133 PolarHBondContact ND1-NE1 3.29Å; V73-W133 HydrophobicContact CG2-CH2 4Å; V73-W133 HydrophobicContact CG2-CZ3 3.73Å; A75-W133 HydrophobicContact CB-CE3 3.88Å; A75-W133 HydrophobicContact CB-CZ3 4.38Å; E129-W133 WeakPolarHBondContact O-CB 3.21Å; E129-W133 PolarHBondContact O-N 2.89Å; I130-W133 PolarHBondContact O-N 3.38Å
134F98.8Very high98Very high11 Ų1173.5 Ų73.55%0.04838%0.377CS..  trans-131.1140.3-175.2-69.7-91.2000112.1F8 A37 K39 A75 I77 I130 E138F8-F134 HydrophobicContact CD2-CE2 4.2Å; F8-F134 HydrophobicContact CE2-CE2 4.04Å; A37-F134 HydrophobicContact CB-CD1 3.82Å; A37-F134 HydrophobicContact CB-CE1 3.63Å; A37-F134 HydrophobicContact CB-CG 4.45Å; A37-F134 HydrophobicContact CB-CZ 4.12Å; K39-F134 HydrophobicContact CD-CD1 4.31Å; K39-F134 HydrophobicContact CD-CE1 3.92Å; K39-F134 HydrophobicContact CG-CE1 3.72Å; K39-F134 HydrophobicContact CG-CZ 4.03Å; A75-F134 HydrophobicContact CB-CE2 3.81Å; A75-F134 HydrophobicContact CB-CZ 3.78Å; A75-F134 WeakPolarHBondContact O-CZ 3.42Å; I77-F134 HydrophobicContact CD1-CB 3.91Å; I77-F134 HydrophobicContact CD1-CD1 4.36Å; I77-F134 HydrophobicContact CD1-CD2 3.5Å; I77-F134 VanDerWaalsContact CD1-CD2 3.5Å; I77-F134 HydrophobicContact CD1-CE2 4.02Å; I77-F134 HydrophobicContact CD1-CG 3.67Å; I77-F134 HydrophobicContact CG1-CD2 3.68Å; I77-F134 HydrophobicContact CG1-CE2 3.69Å; I77-F134 HydrophobicContact CG1-CG 4.28Å; I77-F134 HydrophobicContact CG1-CZ 4.31Å; I130-F134 PolarHBondContact O-N 3.48Å; F134-E138 WeakPolarHBondContact CA-OE2 3.35Å; F134-E138 HydrophobicContact CD1-CB 3.92Å
135K98.4Very high98Very high126 Ų12673.4 Ų73.455%0.54838%0.384SS..  trans-78.6153.2165.4-52-177.1-177.2177.30109.9E137 E138K135-E137 VanDerWaalsContact CB-CD 3.46Å; K135-E137 HydrophobicContact CB-CG 4.27Å; K135-E137 VanDerWaalsContact CB-OE2 3.26Å; K135-E137 WeakPolarHBondContact CB-OE2 3.3Å; K135-E137 WeakPolarHBondContact CD-OE1 3.39Å; K135-E137 PolarHBondContact O-N 3.21Å; K135-E138 HydrophobicContact CB-CG 4.24Å; K135-E138 PolarHBondContact N-OE2 2.68Å; K135-E138 WeakPolarHBondContact O-CB 3.42Å; K135-E138 PolarHBondContact O-N 3.02Å
136P97.9Very high97.9Very high114 Ų11477.1 Ų77.174%0.7440%0.398SS*.G310 helixtrans-54-37.9179-27.436.1000114E138 V139P136-E138 PolarHBondContact O-N 3.01Å; P136-V139 PolarHBondContact O-N 2.87Å
137E98.2Very high97.8Very high137 Ų13781.1 Ų81.164%0.6442%0.416SS*.G310 helixtrans-69.7-15.3179.265-91.4-151.400114.5K135 V139K135-E137 VanDerWaalsContact CB-CD 3.46Å; K135-E137 HydrophobicContact CB-CG 4.27Å; K135-E137 VanDerWaalsContact CB-OE2 3.26Å; K135-E137 WeakPolarHBondContact CB-OE2 3.3Å; K135-E137 WeakPolarHBondContact CD-OE1 3.39Å; K135-E137 PolarHBondContact O-N 3.21Å; E137-V139 VanDerWaalsContact C-N 3.29Å
138E98.6Very high97.7Very high65 Ų6577.4 Ų77.430%0.30442%0.419SS..G310 helixtrans-82.1-9.6174.8-61.2-179.5102.400112.2A37 K39 F134 K135 P136A37-E138 WeakPolarHBondContact CB-O 3.1Å; K39-E138 WeakPolarHBondContact CD-OE1 3.26Å; K39-E138 IonicContact NZ-OE1 3.48Å; K39-E138 PolarHBondContact NZ-OE1 3.31Å; K39-E138 IonicContact NZ-OE2 3.81Å; K39-E138 PolarHBondContact NZ-OE2 2.82Å; F134-E138 WeakPolarHBondContact CA-OE2 3.35Å; F134-E138 HydrophobicContact CD1-CB 3.92Å; K135-E138 HydrophobicContact CB-CG 4.24Å; K135-E138 PolarHBondContact N-OE2 2.68Å; K135-E138 WeakPolarHBondContact O-CB 3.42Å; K135-E138 PolarHBondContact O-N 3.02Å; P136-E138 PolarHBondContact O-N 3.01Å
139V98.4Very high97.6Very high27 Ų2782.1 Ų82.116%0.16444%0.439CS..PPolyproline II helixtrans-96.1120.5-178.8-1710000110.3V36 A37 I77 P136 E137V36-V139 HydrophobicContact CB-CG1 4.13Å; V36-V139 HydrophobicContact CG2-CG1 3.92Å; A37-V139 HydrophobicContact CB-CG2 4.46Å; I77-V139 HydrophobicContact CD1-CG2 3.88Å; P136-V139 PolarHBondContact O-N 2.87Å; E137-V139 VanDerWaalsContact C-N 3.29Å
140V98.4Very high97.5Very high87 Ų8784.6 Ų84.653%0.52745%0.453SS..PPolyproline II helixtrans-103.2123.3-172.6-174.70000111R34 V36R34-V140 PolarHBondContact NH1-O 2.82Å; V36-V140 PolarHBondContact O-N 2.94Å
141E96.4Very high97.2Very high111 Ų11185.5 Ų85.552%0.51945%0.454SS..PPolyproline II helixtrans-88.7130.4170.6-59.8-51.9152.700111.7R6 R34R6-E141 IonicContact CZ-OE1 2.77Å; R6-E141 IonicContact NH1-OE1 3.12Å; R6-E141 PolarHBondContact NH1-OE1 3.14Å; R6-E141 VanDerWaalsContact NH2-CD 3.34Å; R6-E141 IonicContact NH2-OE1 2.86Å; R6-E141 PolarHBondContact NH2-OE1 3.42Å; R6-E141 IonicContact NH2-OE2 3.28Å; R6-E141 PolarHBondContact NH2-OE2 2.89Å; R34-E141 IonicContact CZ-OE2 3.79Å; R34-E141 IonicContact NH1-OE2 3.75Å; R34-E141 IonicContact NH2-OE2 2.87Å; R34-E141 PolarHBondContact NH2-OE2 3.24Å
142Y97.4Very high96.7Very high107 Ų10795.4 Ų95.442%0.4249%0.485SS..  trans-156.5157.617268.6-77.5000110.4R34 L35R34-Y142 HydrophobicContact CG-CE1 3.75Å; R34-Y142 HydrophobicContact CG-CE2 3.95Å; R34-Y142 WeakPolarHBondContact CG-OH 3.45Å; R34-Y142 VanDerWaalsContact NH1-CD1 3.27Å; R34-Y142 PolarHBondContact NH1-O 3.44Å; R34-Y142 VanDerWaalsContact NH1-O 3.12Å; L35-Y142 WeakPolarHBondContact O-CE1 3.42Å; L35-Y142 PolarHBondContact O-OH 3.39Å
143K95.8Very high96.6Very high184 Ų18497.7 Ų97.780%0.850%0.496SS*.  trans-94.9117.6176.1-172.7176.4-178.6179.80109.9
144S97Very high96.5Very high32 Ų32102.4 Ų102.422%0.22452%0.521CS..  trans-65.5134170.5176.40000110.4Q146 H147S144-Q146 PolarHBondContact O-N 3Å; S144-Q146 PolarHBondContact OG-N 2.91Å; S144-H147 WeakPolarHBondContact O-CB 3.32Å; S144-H147 PolarHBondContact O-N 3.16Å
145C97.7Very high96.3Very high115 Ų115107.5 Ų107.578%0.77755%0.547SS*.THydrogen-bonded Turntrans-65-19.9172.860.90000112.7
146Q96.3Very high96.2Very high107 Ų107106.4 Ų106.450%0.555%0.547SS..THydrogen-bonded Turntrans-87.6-3.9178.5-58.5177.631.600112.9S144 G148 F149 L150S144-Q146 PolarHBondContact O-N 3Å; S144-Q146 PolarHBondContact OG-N 2.91Å; Q146-G148 VanDerWaalsContact C-N 3.34Å; Q146-G148 PolarHBondContact O-N 3.06Å; Q146-F149 WeakPolarHBondContact O-CA 3.32Å; Q146-F149 WeakPolarHBondContact O-CB 3.24Å; Q146-F149 PolarHBondContact O-N 3.21Å; Q146-L150 HydrophobicContact CB-CD1 3.94Å; Q146-L150 HydrophobicContact CB-CG 4.33Å; Q146-L150 PolarHBondContact O-N 3.09Å; Q146-L150 VanDerWaalsContact O-N 3.14Å
147H95Very high96.1Very high84 Ų84105.9 Ų105.939%0.38954%0.535SS..Hα-helixtrans-54.3-46.2-170-174.885.9000113.3S144 F149 L150 Y151S144-H147 WeakPolarHBondContact O-CB 3.32Å; S144-H147 PolarHBondContact O-N 3.16Å; H147-F149 PolarHBondContact O-N 2.85Å; H147-L150 PolarHBondContact O-N 3.36Å; H147-Y151 AromaticContact CE1-CD2 3.73Å; H147-Y151 AromaticContact ND1-CD2 3.68Å; H147-Y151 PolarHBondContact O-N 3.05Å; H147-Y151 VanDerWaalsContact O-N 3.11Å
148G95.9Very high96Very high64 Ų64103.9 Ų103.966%0.6653%0.528SS*.Hα-helixtrans-73.2-5.6179.200000115Q146Q146-G148 VanDerWaalsContact C-N 3.34Å; Q146-G148 PolarHBondContact O-N 3.06Å
149F97Very high95.8Very high189 Ų189106.6 Ų106.683%0.82954%0.544SS*.Hα-helixtrans-101.5-16.1172.7-60.6-80.6000112.4Q146 H147Q146-F149 WeakPolarHBondContact O-CA 3.32Å; Q146-F149 WeakPolarHBondContact O-CB 3.24Å; Q146-F149 PolarHBondContact O-N 3.21Å; H147-F149 PolarHBondContact O-N 2.85Å
150L95.9Very high95.6Very high70 Ų70112.8 Ų112.837%0.36657%0.573SS.*Hα-helixtrans-98.4-25.8-179.3-69.4170.1000112.6Q146 H147Q146-L150 HydrophobicContact CB-CD1 3.94Å; Q146-L150 HydrophobicContact CB-CG 4.33Å; Q146-L150 PolarHBondContact O-N 3.09Å; Q146-L150 VanDerWaalsContact O-N 3.14Å; H147-L150 PolarHBondContact O-N 3.36Å
151Y93.1Very high95.3Very high48 Ų48114.9 Ų114.919%0.18858%0.577CS.*  trans-136.3140.3-175.6-55.2-72.2000110.5N3 L81 H147N3-Y151 HydrophobicContact CB-CD1 4.24Å; N3-Y151 HydrophobicContact CB-CE1 4.23Å; N3-Y151 HydrophobicContact CB-CG 4.45Å; N3-Y151 WeakPolarHBondContact ND2-CB 3.25Å; N3-Y151 WeakPolarHBondContact ND2-CD1 3.42Å; N3-Y151 VanDerWaalsContact ND2-CG 3.33Å; L81-Y151 HydrophobicContact CB-CD1 4.46Å; L81-Y151 HydrophobicContact CB-CE1 3.8Å; H147-Y151 AromaticContact CE1-CD2 3.73Å; H147-Y151 AromaticContact ND1-CD2 3.68Å; H147-Y151 PolarHBondContact O-N 3.05Å; H147-Y151 VanDerWaalsContact O-N 3.11Å
152E86.6Confident95.2Very high268 Ų268115.3 Ų115.3100%1.25258%0.582SS**  trans-81.40171-63.4177.8-177.700112.2

Retrieved 152 of 152 residues in 1004.3 ms (Link to these results)

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