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Table 2 Hyperthermophilic/Mesophilic (1–38) and Thermophilic/Mesophilic (39–59) pairs in dataset B
| ID | PDB | Class | Organism | Res (Å) | PDB | Class | Mesophile | Res (Å) | ΔÅ | %identity | Functional Class | Description |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | 1A2Z A | a/b | Thermococcus litoralis | 1.73 | 1AUG A | a/b | Bacillus amyloliquefaciens | 2.00 | 0.27 | 37 | Peptidase | Pyrrolidone Carboxyl Peptidase |
| 2 | 1A53 0 | a/b | Sulfolobus solfataricus | 2.00 | 1PII 0 | a/b | Escherichia coli | 2.00 | 0.00 | 38 | Synthase | Indole-3-Glycerolphosphate Synthase |
| 3 | 1DQI A | mainly b | Pyrococcus furiosus | 1.70 | 1DFX 0 | mainly b | Desulfovibrio desulfuricans | 1.90 | 0.20 | 34 | Oxidoreductase | Superoxide Reductase |
| 4 | 1FTR A | a+b | Methanopyrus kandleri | 1.70 | 1M5S A | a+b | Methanosarcina barkeri | 1.85 | 0.15 | 59 | Transferase | Formyltransferase |
| 5 | 1DD3 A | a/b | Thermotoga maritima | 2.00 | 1CTF 0 | a/b | Escherichia coli | 1.70 | 0.3 | 69 | Ribosomal | Ribosomal Protein |
| 6 | 1G29 1 | a/b | Thermococcus litoralis | 1.90 | 1B0U A | a/b | Salmonella typhimurium | 1.50 | 0.40 | 31 | Sugar Binding | Malk Protein |
| 7 | 1HDG O | a/b | Thermotoga maritima | 2.50 | 1RM4 A | a/b | Spinacia oleracea | 2.00 | 0.50 | 56 | Oxidoreductase | Glyceraldehyde 3 Phosphate Dehydrogenase |
| 8 | 1HQK A | a/b | Aquifex aeolicus | 1.60 | 1W19 A | a/b | Mycobacterium tuberculosis | 2.00 | 0.40 | 50 | Transferase | Lumazine Synthase |
| 9 | 1I4N A | a/b | Thermotoga maritima | 2.50 | 1PII 0 | a/b | Escherichia coli | 2.00 | 0.50 | 34 | Lyase | Indole-3-Glycerolphosphate Synthase |
| 10 | 1IOF A | a/b | Pyrococcus furiosus | 2.20 | 1AUG A | a/b | Bacillus amyloliquefaciens | 2.00 | 0.20 | 43 | Hydrolase | Pyrrolidone-Carboxylate Peptidase |
| 11 | 1IU8 A | a/b | Pyrococcus horikoshii | 1.60 | 1AUG A | a/b | Bacillus amyloliquefaciens | 2.00 | 0.40 | 45 | Hydrolase | Pyrrolidone-Carboxylate Peptidase |
| 12 | 1J0A A | a/b | Pyrococcus horikoshii | 2.50 | 1TZJ A | a/b | Pseudomonas sp. | 1.99 | 0.51 | 31 | Lyase | Aminocyclopropane Carboxylate Deaminase |
| 13 | 1J31 A | a/b | Pyrococcus horikoshii | 1.60 | 1UF5 A | a/b | Agrobacterium sp. | 1.60 | 0.00 | 31 | Unknown | Hypothetical Protein Ph0642 |
| 14 | 1JI0 A | a/b | Thermotoga maritima | 2.00 | 1G6H A | a/b | Escherichia coli | 1.60 | 0.40 | 31 | Carrier | Abc Transporter |
| 15 | 1JJI A | a/b | Archaeoglobus fulgidus | 2.20 | 1JKM B | a/b | Bacillus subtilis | 1.85 | 0.35 | 35 | Hydrolase | Carboxylesterase |
| 16 | 1JVB A | a/b | Sulfolobus solfataricus | 1.85 | 1M6H A | a/b | Homo sapiens | 2.00 | 0.15 | 31 | Oxidoreductase | Alcohol Dehydrogenase |
| 17 | 1LK5 A | a/b | Pyrococcus horikoshii | 1.75 | 1M0S A | a/b | Haemophilus influenzae | 1.90 | 0.15 | 42 | Isomerase | D-Ribose-5-Phosphate Isomerase |
| 18 | 1M2K A | a/b | Archaeoglobus fulgidus | 1.47 | 1S5P A | a/b | Escherichia coli | 1.96 | 0.49 | 41 | Trascriptional Regulator | Sir2 Homologue |
| 19 | 1M4Y A | a+b | Thermotoga maritima | 2.10 | 1G3K A | a+b | Haemophilus influenzae | 1.90 | 0.20 | 66 | Hydrolase | Hslv |
| 20 | 1M5H A | a+b | Archaeoglobus fulgidus | 2.00 | 1M5S A | a+b | Methanosarcina barkeri | 1.85 | 0.15 | 68 | Transferase | Formyltransferase |
| 21 | 1MXG A | a/b | Pyrococcus woesei | 1.60 | 1VJS 0 | a/b | Bacillus licheniformis | 1.70 | 0.10 | 31 | Idrolasi | AAmilase |
| 22 | 1NSJ 0 | a/b | Thermotoga maritima | 2.00 | 1PII 0 | a/b | Escherichia coli | 2.00 | 0.00 | 33 | Isomerase | P-Ribosylanthranilate Isomerase |
| 23 | 1P1L A | a/b | Archaeoglobus fulgidus | 2.00 | 1NAQ A | a/b | Escherichia coli | 1.70 | 0.3 | 33 | Unknown | Cation Resistent Protein Cut-A |
| 24 | 1OJU A | a/b | Archaeoglobus fulgidus | 2.79 | 1GUZ A | a/b | Chlorobium vibrioforme | 2.00 | 0.79 | 34 | Oxidoreductase | Malate Dehydrogenase |
| 25 | 1U1I A | a/b | Archaeoglobus fulgidus | 1.90 | 1P1J A | a/b | Saccharomyces cerevisiae | 1.70 | 0.20 | 31 | Isomerase | Myo-Inositol Phosphate Synthase |
| 26 | 1UE8 A | mainly a | Sulfolobus tokodaii | 3.00 | 1ODO A | mainly a | Streptomyces coelicolor | 1.85 | 1.15 | 32 | Unknown | Cytochrome P450 |
| 27 | 1UKU A | a+b | Pyrococcus horikoshii | 1.45 | 1NAQ A | a+b | Escherichia coli | 1.70 | 0.25 | 39 | Metal Binding Protein | Cation Resistent Protein Cut-A |
| 28 | 1ULZ A | a/b | Aquifex aeolicus | 2.20 | 1DV1 A | a/b | Escherichia coli | 1.90 | 0.30 | 53 | Ligase | Pyruvate Carboxylase |
| 29 | 1UVV A | a/b | Thermotoga maritima | 2.75 | 1GS5 A | a/b | Escherichia coli | 1.50 | 1.25 | 35 | Transferase | Acetylglutamate Kinase |
| 30 | 1V3W A | mainly b | Pyrococcus horikoshii | 1.50 | 1XHD A | mainly b | Bacillus cereus | 1.90 | 0.40 | 40 | Lyase | Ferripyochelin Binding Protein |
| 31 | 1V7R A | a/b | Pyrococcus horikoshii | 1.40 | 1K7K A | a/b | Escherichia coli | 1.50 | 0.10 | 34 | Hydrolase | Hypothetical Protein Ph1917 |
| 32 | 1VE0 A | a/b | Sulfolobus tokodaii | 2.00 | 1VMH A | a/b | Clostridium acetobutylicum | 1.31 | 0.69 | 42 | Metal Binding Protein | Hypothetical Protein St2072 |
| 33 | 1VFF A | a/b | Pyrococcus horikoshii | 2.55 | 1E4I A | a/b | Bacillus polymyxa | 2.00 | 0.55 | 32 | Hydrolase | B-Glucosidase |
| 34 | 1VPE 0 | a/b | Thermotoga maritima | 2.00 | 1HDI A | a/b | Sus scrofa | 1.80 | 0.20 | 48 | Transferase | Phosphoglycerate Kinase |
| 35 | 1WPW A | a/b | Sulfolobus tokodaii | 2.80 | 1A05 A | a/b | Thiobacillus ferrooxidans | 2.00 | 0.80 | 40 | Oxidoreductase | Ipm Dehydrogenase |
| 36 | 1XGS A | mainly a | Pyrococcus furiosus | 1.75 | 1B6A 0 | mainly a | Homo sapiens | 1.60 | 0.15 | 39 | Aminopeptidase | Methionine Aminopeptidase |
| 37 | 1XTY A | a/b | Pyrococcus abyssi | 1.80 | 1Q7S A | a/b | Homo sapiens | 2.00 | 0.20 | 48 | Hydrolase | Peptidyl-Trna Hydrolase |
| 38 | 1B33 A | mainly a | M. laminosus | 2.30 | 1XG0 C | mainly a | Rhodomonas | 0.97 | 1.33 | 32 | Photosynthesis | Allophycocianin |
| 39 | 1BXB A | a/b | Thermus aquaticus | 2.20 | 1MUW A | a/b | Streptomyces olivochromogenes | 0.86 | 1.34 | 58 | Isomerase | Xilose Isomerase |
| 40 | 1EE8 A | mainly a | Thermus thermophilus | 1.90 | 1TDZ A | mainly a | Lactococcus lactis | 1.80 | 0.10 | 35 | Dna Binding Protein | Fpg Protein |
| 41 | 1GD7 A | mainly b | Thermus thermophilus | 2.00 | 1PXF A | mainly b | Escherichia coli | 1.87 | 0.13 | 34 | Rna Binding Protein | Csaa Protein |
| 42 | 1J09 A | a/b | Thermus thermophilus | 1.80 | 1NZJ A | a/b | Escherichia coli | 1.50 | 0.30 | 33 | Ligase | Glutamil-Trna Synthase |
| 43 | 1J3N A | a/b | Thermus thermophilus | 2.00 | 1E5M A | a/b | Synechocystis sp. | 1.54 | 0.46 | 55 | Transferase | Acyl Carrier Protein |
| 44 | 1JBO A | mainly a | T. elongatus | 1.45 | 1B8D A | mainly a | Griffithsia monilis | 1.90 | 0.45 | 38 | Photosynthesis | Phycocyanin |
| 45 | 1MNG A | mainly a | Thermus thermophilus | 1.80 | 1GV3 A | mainly a | Anabaena sp. | 2.00 | 0.20 | 59 | Oxidoreductase | Superoxide Dismutase |
| 46 | 1SRV A | a/b | Thermus thermophilus | 1.70 | 1KID 0 | a/b | Escherichia coli | 1.70 | 0.00 | 69 | Chaperone | Groel |
| 47 | 1UKW A | mainly a | Thermus thermophilus | 2.40 | 1RX0 A | mainly a | Homo sapiens | 1.77 | 0.63 | 39 | Oxidoreductase | Acil-Coa Dehydrogenase |
| 48 | 1UZB A | a/b | Thermus thermophilus | 1.40 | 1O0A A | a/b | Halobacterium salinarum | 1.42 | 0.02 | 34 | Oxidoreductase | 1-Pyrroline-5-Carboxylate Dehydrogenase |
| 49 | 1V6S A | a/b | Thermus thermophilus | 1.50 | 16PK 0 | a/b | Trypanosoma brucei | 1.60 | 0.10 | 44 | Transferase | Phosphoglycerate Kinase |
| 50 | 1V8F A | a/b | Thermus thermophilus | 1.90 | 1N2E A | a/b | Mycobacterium tuberculosis | 1.60 | 0.30 | 55 | Ligase | Pantothenate Synthetase |
| 51 | 1V8G A | a/b | Thermus thermophilus | 2.10 | 1VQU A | a/b | Nostoc sp. | 1.85 | 0.25 | 42 | Transferase | Anthranilate Phosphoribosyltransferase |
| 52 | 1VC2 A | a/b | Thermus thermophilus | 2.60 | 1GAD O | a/b | Escherichia coli | 1.80 | 0.80 | 51 | Oxidoreductase | Glyceraldehyde 3 Phosphate Dehydrogenase |
| 53 | 1VC4 A | a/b | Thermus thermophilus | 1.80 | 1PII 0 | a/b | Escherichia coli | 2.00 | 0.20 | 37 | Lyase | Indole-3-Glycerolphosphate Synthase |
| 54 | 1VCD A | a/b | Thermus thermophilus | 1.70 | 1SJY A | a/b | Deinococcus radiodurans | 1.39 | 0.31 | 34 | Hydrolase | Ap6a Hydroxylase Ndx1 |
| 55 | 1WXD A | a/b | Thermus thermophilus | 2.10 | 1NYT A | a/b | Escherichia coli | 1.50 | 0.60 | 36 | Oxidoreductase | Shikimate 5-Dehydrogenase |
| 56 | 1XAA 0 | a/b | Thermus thermophilus | 2.10 | 1CNZ A | a/b | Salmonella typhimurium | 1.76 | 0.34 | 52 | Oxidoreductase | 3-Isopropylmalate Dehydrogenase |
| 57 | 1YYA A | mainly b | Thermus thermophilus | 1.60 | 1MO0 A | mainly b | Caenorhabditis elegans | 1.70 | 0.10 | 44 | Isomerase | Triosephosphate Isomerase |
| 58 | 1YKF A | a/b | T. brockii | 2.50 | 1JQB A | a/b | Clostridium beijerinckii | 0.53 | 1.97 | 77 | Oxidoreductase | Nadp-Dependent Alcohol Dehydrogenase |
| 59 | 2PRD 0 | a/b | Thermus thermophilus | 2.00 | 1SXV A | a/b | Mycobacterium tuberculosis | 1.30 | 0.70 | 52 | Hydrolase | Inorganic Pyrophosphatase |
