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| Compounds | Hydrogen bond | Hydrophobic | Unfavorable | Electrostatic |
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| Holothurin A1 | PRO110 (3.03); TYR111 (3.04); TYR156 (2.07); TYR111 (2.0); TYR156 (2.0); GLU77 (2.7; 2.9; 3.0); | LYS151 (4.5); ILE29 (4.9); PHE79 (3.85) | GLU30 (1.8; 1.5; 1.6); SER76 (1.7; 1.9; 0.7; 1.5); SER113 (2.6) | |
| Holothurin A3 | ARG150 (2.6; 2.3; 2.38; 2.7), GLU30 (2.5; 2.1), ASP179 (2.05), GLU30 (2.18), GLU155 (2.7), GLU181 (1.6), LYS147 (1.75) | ILE29 (4.2), PHE79 (2.88) | GLU155 (2.1; 1.3); GLU26 (1.7); GLU30 (2.6) | |
| Holothurin B | SER57 (2.57); TYR156 (3.04); SER76 (2.12); GLU26 (1.83) | VAL114 (4.4); PHE79 (5.0; 4.6; 4.07); TYR111 (4.05; 2.24) | ASN144 (2.2; 1.4); LYS147 (2.1; 2.0; 2.6); TYR156 (0.89); GLU30 (1.57; 1.55) | ASP175 (3.06) |
| Echinoside A | | TYR156 (5.4); PHE79 (4.4; 4.5); TYR111 (4.6) | ASN183 (1.7; 1.6; 2.1; 1.9); LYS184 (2.6); GLU26 (1.6; 1.5); PHE79 (1.8; 1.9); TYR111 (2.1; 1.8; 1.6; 1.2; 1.3) | |
| Echinoside B | | | GLU26 (2.2; 1.2; 2.0; 1.1); TYR111 (2.0) | ASP61 (3.5) |
| 17-Hydroxyfuscocineroside B | SER76 (2.4); TYR156 (2.2); TYR111 (2.7; 2.0); ASP117 (2.0); SER113 (1.9) | LYS151 (5.0); TYR111 (5.1) | ASP117 (2.1; 1.7; 1.8; 2.04); LYS151 (2.2; 1.7); ASP175 (2.4; 1.9); ILE176 (2.6); SER76 (2.3; 2.2; 2.2; 1.2; 1.2); SER113 (2.1; 1.4; 1.8; 1.4) | ASP175 (4.2); LYS174 (3.0); TYR178 (2.2) |
| 24-Dehydroechinoside B | SER113 (2.5; 2.6); TYR111 (2.7); GLU26 (2.2; 2.7) | LYS27 (5.0) | GLU30 (2.2); TYR111 (1.8; 2.1; 0.8) | GLU77 (3.3) |
| Fuscocineroside C | LYS27 (2.7); GLU30 (2.6); GLU26 (2.08; 2.1); GLU78 (2.3) | LYS151 (5.3; 4.1) | ASP141 (2.7; 1.6; 2.7); LYS151 (2.2; 1.1; 1.5); GLU26 (2.0; 1.3); TYR111 (2.3; 1.8; 1.8) | ASP141 (3.4), PHE79 (3.82) |
| Calcigeroside B | LYS27 (2.3); GLU26 (2.4; 1.9;); GLU30 (3.08); GLU155 (2.7) | | GLU155 (1.9; 1.99; 1.3; 1.14) | |
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