==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 10-MAR-10 3M40 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRAZULIS,E.MANAKOVA,D.GOLOVENKO . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 26 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 3 1 1 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A H 0 0 173 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.1 13.3 -1.1 7.6 2 4 A H - 0 0 156 1,-0.2 0, 0.0 15,-0.0 0, 0.0 -0.314 360.0 -75.6 -86.6 173.0 10.1 0.3 9.0 3 5 A W + 0 0 48 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.253 62.3 130.9 -68.2 154.7 7.7 -1.5 11.4 4 6 A G - 0 0 6 5,-2.3 10,-0.1 2,-0.2 -1,-0.1 -0.763 65.1 -73.5-164.0-141.6 5.4 -4.3 10.4 5 7 A Y S S+ 0 0 33 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.511 84.9 101.5-116.1 -4.9 4.3 -7.7 11.5 6 8 A G S > S- 0 0 43 4,-0.1 4,-2.5 3,-0.1 3,-0.3 0.005 84.9 -90.5 -75.8-174.3 7.3 -10.1 10.5 7 9 A K T 4 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.2 5,-0.0 0.816 125.6 39.1 -62.5 -31.0 10.3 -11.7 12.4 8 10 A H T 4 S+ 0 0 121 1,-0.1 -1,-0.3 4,-0.0 -2,-0.0 0.611 133.6 18.3-100.2 -19.6 12.5 -8.8 11.7 9 11 A N T 4 S+ 0 0 43 -3,-0.3 -5,-2.3 -6,-0.1 -2,-0.2 0.254 93.2 119.3-137.9 13.3 10.1 -5.9 12.2 10 12 A G S >X S- 0 0 3 -4,-2.5 3,-2.5 -5,-0.2 4,-0.6 0.090 82.3 -63.4 -76.4-174.2 7.1 -7.3 14.2 11 13 A P G >4 S+ 0 0 26 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.746 128.6 58.0 -41.9 -39.5 5.6 -6.3 17.6 12 14 A E G 34 S+ 0 0 162 1,-0.2 3,-0.3 2,-0.1 -5,-0.1 0.742 108.0 48.8 -70.6 -18.1 8.7 -7.3 19.7 13 15 A H G X> S+ 0 0 60 -3,-2.5 3,-1.5 1,-0.2 4,-0.6 0.591 86.8 87.0 -89.8 -17.1 10.8 -4.9 17.7 14 16 A W H XX S+ 0 0 4 -3,-0.8 4,-2.8 -4,-0.6 3,-0.5 0.773 72.4 70.3 -57.4 -31.2 8.6 -1.9 17.9 15 17 A H H 34 S+ 0 0 63 -4,-0.4 -1,-0.3 -3,-0.3 7,-0.1 0.722 89.4 65.1 -61.1 -24.8 10.0 -0.5 21.2 16 18 A K H <4 S+ 0 0 131 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.928 118.3 23.8 -68.8 -41.6 13.3 0.5 19.5 17 19 A D H << S+ 0 0 103 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.751 137.5 34.9 -84.6 -29.3 11.5 3.1 17.3 18 20 A F >< - 0 0 56 -4,-2.8 3,-2.6 -5,-0.2 -1,-0.2 -0.756 65.4-179.1-127.2 78.5 8.6 3.6 19.7 19 21 A P G > S+ 0 0 101 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 0.707 76.7 74.6 -59.1 -18.5 9.8 3.3 23.3 20 22 A I G > S+ 0 0 55 1,-0.3 3,-2.9 179,-0.2 -5,-0.1 0.658 71.9 89.7 -65.5 -11.8 6.3 3.8 24.7 21 23 A A G < S+ 0 0 5 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.780 90.3 45.7 -52.2 -29.4 5.7 0.2 23.5 22 24 A K G < S+ 0 0 131 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.067 96.9 130.1-102.8 27.7 6.9 -0.8 27.0 23 25 A G S < S- 0 0 17 -3,-2.9 3,-0.5 1,-0.1 -3,-0.0 0.132 71.1-102.0 -74.4-176.2 4.6 1.9 28.7 24 26 A E S S+ 0 0 116 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.535 112.9 36.5 -88.6 -12.7 2.2 1.8 31.5 25 27 A R S S+ 0 0 46 224,-0.1 -1,-0.2 168,-0.0 2,-0.2 -0.290 79.2 155.4-138.6 53.5 -1.0 1.7 29.6 26 28 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.508 32.6-103.8 -83.8 151.5 -0.4 -0.4 26.4 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.885 77.4 41.5-125.1 157.5 -3.0 -2.3 24.4 28 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.598 67.0 177.8 -80.7-176.7 -4.3 -4.8 23.7 29 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.928 36.4 -98.8-141.4 158.7 -4.7 -6.8 27.0 30 32 A D E -a 106 0A 32 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.706 34.4-140.0 -75.0 134.4 -6.1 -10.1 28.1 31 33 A I E -a 107 0A 0 75,-2.9 77,-2.9 -2,-0.4 2,-1.0 -0.847 10.6-159.2 -98.7 104.7 -9.5 -9.5 29.7 32 34 A D >> - 0 0 73 -2,-0.8 4,-1.5 75,-0.2 3,-0.8 -0.770 4.9-161.5 -86.6 106.4 -9.7 -11.8 32.7 33 35 A T T 34 S+ 0 0 44 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.763 85.5 55.5 -68.0 -23.0 -13.6 -12.0 33.1 34 36 A H T 34 S+ 0 0 165 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.798 112.7 41.6 -74.5 -29.2 -13.5 -13.1 36.7 35 37 A T T <4 S+ 0 0 109 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.623 87.3 102.0 -94.8 -16.8 -11.4 -10.1 37.8 36 38 A A S < S- 0 0 15 -4,-1.5 2,-0.5 218,-0.1 218,-0.2 -0.464 72.6-134.6 -69.9 130.1 -13.2 -7.4 35.7 37 39 A K E -c 254 0B 153 216,-1.7 218,-2.4 -2,-0.1 2,-0.3 -0.817 9.0-121.5 -95.7 135.0 -15.4 -5.6 38.2 38 40 A Y E -c 255 0B 84 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.476 27.5-158.0 -62.2 130.7 -19.1 -4.9 37.4 39 41 A D > - 0 0 34 216,-2.8 3,-2.1 -2,-0.3 -1,-0.1 -0.896 13.3-168.2-121.1 103.5 -19.4 -1.1 37.7 40 42 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.671 86.4 67.0 -65.1 -17.1 -23.1 0.0 38.3 41 43 A S T 3 S+ 0 0 91 -3,-0.1 215,-0.1 2,-0.1 2,-0.1 0.634 79.3 101.4 -77.1 -13.0 -22.0 3.6 37.6 42 44 A L < - 0 0 28 -3,-2.1 3,-0.0 213,-0.2 38,-0.0 -0.392 67.3-137.0 -67.1 149.9 -21.2 2.8 33.9 43 45 A K - 0 0 122 37,-1.0 39,-0.1 1,-0.1 2,-0.1 -0.665 26.5 -88.9-102.4 162.9 -23.8 3.8 31.4 44 46 A P - 0 0 111 0, 0.0 36,-1.8 0, 0.0 2,-0.2 -0.428 54.8-106.1 -59.7 142.2 -25.3 2.0 28.4 45 47 A L E -D 79 0B 12 141,-0.3 2,-0.6 34,-0.3 34,-0.2 -0.539 27.8-143.8 -72.6 138.9 -23.1 2.8 25.4 46 48 A S E +D 78 0B 42 32,-2.9 32,-2.3 -2,-0.2 2,-0.6 -0.921 19.8 179.4-108.5 108.9 -24.6 5.2 22.9 47 49 A V E -D 77 0B 32 -2,-0.6 2,-0.6 30,-0.2 30,-0.2 -0.931 1.2-180.0-112.3 112.1 -23.7 4.4 19.3 48 50 A S E +D 76 0B 57 28,-2.7 28,-1.9 -2,-0.6 3,-0.2 -0.778 22.9 142.6-121.5 89.8 -25.3 6.8 16.8 49 51 A Y > + 0 0 3 -2,-0.6 3,-1.9 26,-0.2 130,-0.2 0.315 32.3 109.4-110.1 0.5 -24.3 5.8 13.3 50 52 A D T 3 S+ 0 0 97 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.871 88.8 39.8 -46.2 -39.7 -27.5 6.5 11.3 51 53 A Q T 3 S+ 0 0 115 23,-0.2 -1,-0.3 -3,-0.2 24,-0.2 0.271 82.0 142.6-100.0 14.4 -25.8 9.5 9.5 52 54 A A < - 0 0 20 -3,-1.9 2,-0.5 22,-0.2 18,-0.1 -0.252 35.4-157.9 -56.5 132.1 -22.4 8.0 9.0 53 55 A T - 0 0 46 16,-0.4 16,-3.0 122,-0.1 2,-0.1 -0.880 3.6-162.8-117.7 98.0 -20.8 8.9 5.7 54 56 A S E +E 68 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.473 11.5 176.0 -76.7 148.9 -18.1 6.6 4.4 55 57 A L E - 0 0 76 12,-3.2 118,-2.1 1,-0.4 2,-0.3 0.687 52.5 -9.6-116.7 -43.1 -15.7 8.0 1.7 56 58 A R E -EF 67 172B 86 11,-1.2 11,-2.8 116,-0.3 -1,-0.4 -0.987 46.1-132.4-158.4 162.6 -13.0 5.5 0.9 57 59 A I E -EF 66 171B 0 114,-2.7 114,-2.1 -2,-0.3 2,-0.4 -0.987 26.3-170.9-130.4 138.4 -11.2 2.3 1.6 58 60 A L E -EF 65 170B 32 7,-2.1 7,-2.5 -2,-0.4 2,-0.8 -0.990 25.4-145.0-135.3 132.4 -7.4 2.1 1.7 59 61 A N E -E 64 0B 0 110,-2.8 109,-2.9 -2,-0.4 110,-0.2 -0.868 22.2-178.9 -89.4 110.9 -4.8 -0.7 1.9 60 62 A N - 0 0 57 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.306 52.9-100.9 -97.9 11.8 -2.1 1.0 4.0 61 63 A G S S+ 0 0 5 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.319 117.9 54.5 87.4 -3.9 0.3 -1.9 4.0 62 64 A H S S- 0 0 45 1,-0.6 2,-0.2 -58,-0.1 166,-0.1 0.640 124.5 -28.8-124.8 -33.3 -0.7 -3.1 7.6 63 65 A A S S- 0 0 6 -5,-0.1 -3,-2.0 31,-0.1 -1,-0.6 -0.828 71.0 -90.4-155.6-168.2 -4.5 -3.4 7.3 64 66 A F E -E 59 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.5 -0.987 35.1-153.0-115.6 139.9 -7.4 -1.8 5.2 65 67 A N E -E 58 0B 24 -7,-2.5 -7,-2.1 -2,-0.4 2,-0.6 -0.931 8.9-153.0-107.4 132.1 -9.1 1.3 6.6 66 68 A V E -EG 57 91B 0 25,-2.8 25,-2.1 -2,-0.5 2,-0.3 -0.921 29.2-153.8 -95.1 118.6 -12.7 2.3 5.8 67 69 A E E -EG 56 90B 40 -11,-2.8 -12,-3.2 -2,-0.6 -11,-1.2 -0.705 8.0-155.0-102.7 145.4 -12.6 6.1 6.2 68 70 A F E -E 54 0B 10 21,-2.9 2,-0.8 -2,-0.3 -14,-0.2 -0.812 27.2-108.7-116.5 154.4 -15.4 8.4 7.1 69 71 A D + 0 0 41 -16,-3.0 -16,-0.4 -2,-0.3 3,-0.3 -0.723 38.7 173.2 -76.7 111.5 -16.2 12.1 6.6 70 72 A D + 0 0 43 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.109 47.2 104.7-110.7 29.2 -15.8 13.4 10.2 71 73 A S S S+ 0 0 82 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.477 81.1 42.5 -85.8 -11.0 -16.2 17.1 9.2 72 74 A Q S S- 0 0 114 -3,-0.3 2,-1.7 3,-0.0 3,-0.2 -0.897 100.9 -90.8-133.0 167.5 -19.7 17.3 10.6 73 75 A D S S+ 0 0 117 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.578 81.4 117.4 -79.5 87.2 -21.5 16.0 13.7 74 76 A K + 0 0 48 -2,-1.7 2,-0.7 1,-0.3 -23,-0.2 0.602 60.4 29.7-115.3 -90.3 -22.6 12.6 12.2 75 77 A A S S+ 0 0 4 -24,-0.2 13,-3.1 13,-0.2 2,-0.4 -0.688 76.8 171.6 -82.5 107.3 -21.5 9.2 13.5 76 78 A V E -DH 48 87B 11 -28,-1.9 -28,-2.7 -2,-0.7 2,-0.5 -0.931 30.0-153.0-130.2 147.0 -20.8 9.5 17.2 77 79 A L E +DH 47 86B 0 9,-3.0 9,-2.6 -2,-0.4 2,-0.3 -0.942 32.2 146.0-111.9 137.4 -20.0 7.4 20.2 78 80 A K E +D 46 0B 72 -32,-2.3 -32,-2.9 -2,-0.5 7,-0.1 -0.906 35.8 37.6-155.3 179.9 -21.0 8.6 23.7 79 81 A G E > S+D 45 0B 5 5,-0.5 3,-2.5 3,-0.3 -34,-0.3 -0.358 73.8 90.6 64.2-148.3 -22.1 7.4 27.2 80 82 A G T 3 S- 0 0 6 -36,-1.8 -37,-1.0 1,-0.3 -1,-0.1 -0.388 121.2 -28.0 57.8-133.3 -20.7 4.2 28.4 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.526 116.8 111.5 -86.4 -2.0 -17.5 5.2 30.3 82 84 A L < - 0 0 14 -3,-2.5 2,-0.5 -39,-0.1 -3,-0.3 -0.427 56.7-150.6 -84.0 142.8 -17.1 8.3 28.2 83 85 A D S S- 0 0 136 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.928 71.2 -12.3 -95.8 132.3 -17.4 12.0 29.1 84 86 A G S S- 0 0 50 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.336 98.6 -40.2 79.2-159.8 -18.5 13.9 26.1 85 87 A T - 0 0 38 -7,-0.1 38,-2.7 -2,-0.1 2,-0.4 -0.924 38.7-165.7-128.0 126.3 -18.7 13.0 22.3 86 88 A Y E -HI 77 122B 5 -9,-2.6 -9,-3.0 -2,-0.4 2,-0.4 -0.929 15.1-143.0-119.6 133.1 -16.4 11.1 20.1 87 89 A R E -HI 76 121B 43 34,-2.9 34,-2.1 -2,-0.4 2,-0.2 -0.752 19.5-116.6-103.2 133.5 -16.7 11.2 16.3 88 90 A L E + I 0 120B 2 -13,-3.1 32,-0.3 -2,-0.4 -13,-0.2 -0.452 38.0 164.7 -66.7 131.3 -16.1 8.1 14.0 89 91 A I E - 0 0 36 30,-2.8 -21,-2.9 1,-0.4 2,-0.3 0.716 59.9 -23.8-115.7 -35.1 -13.1 8.6 11.7 90 92 A Q E -GI 67 119B 34 29,-1.2 29,-3.1 -23,-0.3 -1,-0.4 -0.989 46.9-144.8-166.5 158.2 -12.3 5.0 10.4 91 93 A F E +GI 66 118B 0 -25,-2.1 -25,-2.8 -2,-0.3 2,-0.3 -0.970 21.4 161.5-128.9 163.3 -12.6 1.4 11.1 92 94 A H E - I 0 117B 24 25,-1.8 25,-2.8 -2,-0.3 2,-0.3 -0.928 23.9-126.8-160.2 175.7 -10.3 -1.5 10.3 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.868 1.1-146.9-127.9 161.9 -9.7 -5.1 11.4 94 96 A H E + I 0 115B 4 21,-2.1 21,-2.3 -2,-0.3 2,-0.3 -0.982 31.5 169.6-123.2 140.1 -6.9 -7.3 12.6 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.9 -0.936 23.5-113.5-152.4 166.4 -6.9 -11.0 11.6 96 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.7 3,-0.1 -0.426 23.5-122.3-100.2 173.5 -5.0 -14.2 11.6 97 99 A S S S+ 0 0 44 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.455 106.2 25.9 -82.3 -7.4 -3.4 -16.7 9.2 98 100 A L S > S- 0 0 106 3,-0.4 3,-1.5 15,-0.1 -2,-0.2 -0.960 90.5-107.1-150.3 159.2 -5.8 -19.3 10.7 99 101 A D T 3 S+ 0 0 77 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.746 110.1 71.4 -67.4 -20.8 -9.2 -19.1 12.5 100 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.439 106.5 26.1 -72.7 -0.6 -7.5 -19.9 15.9 101 103 A Q < + 0 0 55 -3,-1.5 -5,-0.7 12,-0.1 -3,-0.4 -0.972 65.3 98.8-159.1 161.1 -5.9 -16.5 16.1 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.024 53.9 107.5 143.6 -32.5 -6.2 -12.9 14.9 103 105 A S - 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