==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 03-JUN-11 3SAP . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRAZULIS,E.MANAKOVA,G.TAMULAITIENE . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11737.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.8 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 . 24 9.3 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 . 18 7.0 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 . 1 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 4 A H 0 0 193 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.9 10.2 -0.1 8.5 2 5 A W + 0 0 49 1,-0.1 2,-0.2 2,-0.1 7,-0.2 -0.301 360.0 129.1 -66.7 150.9 7.9 -1.5 11.3 3 6 A G - 0 0 6 5,-2.8 9,-0.1 2,-0.1 10,-0.1 -0.797 66.4 -73.1-166.8-146.2 5.6 -4.3 10.3 4 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.325 83.6 103.0-120.0 11.3 4.5 -7.7 11.4 5 8 A G S > S- 0 0 35 4,-0.1 4,-2.2 1,-0.1 -2,-0.1 -0.164 84.7 -91.5 -87.6-177.8 7.5 -10.0 10.5 6 9 A K T 4 S+ 0 0 159 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.833 125.7 36.9 -57.3 -33.7 10.4 -11.8 12.4 7 10 A H T 4 S+ 0 0 137 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.649 134.0 20.0-100.9 -17.7 12.7 -8.8 11.8 8 11 A N T 4 S+ 0 0 49 -3,-0.1 -5,-2.8 -6,-0.1 -2,-0.2 0.219 94.4 117.9-136.3 14.0 10.3 -5.8 12.1 9 12 A G S >X S- 0 0 0 -4,-2.2 3,-2.7 -5,-0.2 4,-0.8 0.067 84.9 -67.1 -76.4-173.3 7.3 -7.2 14.1 10 13 A P G >4 S+ 0 0 24 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.760 129.1 61.5 -48.2 -35.6 5.9 -6.2 17.5 11 14 A E G 34 S+ 0 0 114 1,-0.2 3,-0.2 2,-0.1 -5,-0.1 0.688 108.3 46.1 -67.2 -17.3 8.9 -7.5 19.4 12 15 A H G X> S+ 0 0 47 -3,-2.7 3,-1.8 -9,-0.1 4,-0.6 0.610 86.1 90.7 -95.6 -18.0 11.0 -4.9 17.5 13 16 A W H < - 0 0 54 -4,-2.5 3,-2.7 1,-0.1 -1,-0.2 -0.772 64.8-176.2-133.3 81.0 8.8 3.7 19.6 18 21 A P G > S+ 0 0 100 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.723 77.8 75.9 -58.0 -24.4 10.1 3.3 23.2 19 22 A I G > S+ 0 0 65 1,-0.3 3,-2.6 179,-0.2 -5,-0.1 0.635 70.9 89.6 -60.7 -11.8 6.5 3.8 24.5 20 23 A A G < S+ 0 0 7 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.800 91.8 43.8 -51.1 -30.0 6.0 0.2 23.3 21 24 A K G < S+ 0 0 138 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.090 97.4 127.2-102.5 23.3 7.2 -0.7 26.8 22 25 A G S < S- 0 0 13 -3,-2.6 3,-0.5 1,-0.1 -3,-0.1 0.119 73.1 -96.3 -78.4-169.6 5.1 2.0 28.5 23 26 A E S S+ 0 0 122 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.606 113.3 33.5 -87.0 -15.6 2.5 2.0 31.4 24 27 A R S S+ 0 0 46 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.322 79.1 157.3-140.2 56.4 -0.7 1.7 29.4 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.503 31.7-101.0 -85.5 151.3 -0.1 -0.3 26.3 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.917 77.7 39.7-124.9 156.3 -2.7 -2.2 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.531 65.4 176.9 -79.9-176.4 -3.9 -4.8 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.941 36.6-100.3-141.9 158.7 -4.3 -6.8 26.8 29 32 A D E -a 105 0A 33 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.730 34.9-137.8 -75.6 131.7 -5.8 -10.1 27.9 30 33 A I E -a 106 0A 0 75,-3.2 77,-2.9 -2,-0.4 2,-1.1 -0.864 9.9-157.0 -95.1 104.6 -9.2 -9.5 29.5 31 34 A D >> - 0 0 65 -2,-0.8 4,-1.4 75,-0.2 3,-0.6 -0.778 6.6-161.6 -83.4 99.1 -9.4 -11.7 32.6 32 35 A T T 34 S+ 0 0 42 -2,-1.1 -1,-0.2 1,-0.2 222,-0.0 0.727 85.1 53.3 -62.4 -26.3 -13.3 -11.9 32.8 33 36 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.848 112.5 41.3 -79.1 -31.3 -13.2 -13.0 36.4 34 37 A T T <4 S+ 0 0 93 -3,-0.6 -2,-0.2 2,-0.1 2,-0.2 0.542 87.5 108.5 -95.4 -6.1 -11.0 -10.1 37.6 35 38 A A S < S- 0 0 16 -4,-1.4 2,-0.6 216,-0.1 218,-0.2 -0.499 73.3-126.1 -65.4 133.1 -12.8 -7.4 35.5 36 39 A K E -c 253 0B 135 216,-2.4 218,-2.8 -2,-0.2 2,-0.3 -0.764 10.6-129.6 -90.2 119.3 -14.8 -5.3 38.0 37 40 A Y E -c 254 0B 98 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.495 25.2-161.3 -59.4 127.3 -18.5 -4.8 37.3 38 41 A D > - 0 0 29 216,-2.8 3,-1.9 -2,-0.3 -1,-0.1 -0.894 15.8-171.3-121.7 102.1 -19.1 -1.1 37.5 39 42 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.680 85.1 66.7 -69.8 -15.3 -22.8 -0.1 38.0 40 43 A S T 3 S+ 0 0 94 2,-0.1 2,-0.3 40,-0.0 215,-0.1 0.537 77.7 105.1 -78.4 -8.0 -21.9 3.6 37.4 41 44 A L < - 0 0 30 -3,-1.9 3,-0.1 213,-0.2 38,-0.0 -0.582 66.7-138.3 -73.5 137.6 -21.0 2.8 33.7 42 45 A K - 0 0 138 37,-1.3 39,-0.1 -2,-0.3 3,-0.1 -0.466 28.1 -86.0 -88.6 161.6 -23.6 4.0 31.3 43 46 A P - 0 0 113 0, 0.0 36,-2.2 0, 0.0 2,-0.2 -0.406 53.0-106.2 -56.1 144.3 -25.0 2.2 28.2 44 47 A L E -D 78 0B 13 141,-0.3 2,-0.6 34,-0.3 34,-0.2 -0.547 29.6-143.2 -72.1 140.7 -22.8 2.8 25.2 45 48 A S E -D 77 0B 42 32,-2.9 32,-1.9 -2,-0.2 2,-0.7 -0.931 18.3-177.7-112.5 110.3 -24.3 5.2 22.7 46 49 A V E +D 76 0B 34 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.905 3.0 179.2-107.4 107.9 -23.6 4.4 19.0 47 50 A S E +D 75 0B 44 28,-3.0 28,-2.1 -2,-0.7 3,-0.1 -0.803 25.0 140.2-110.4 88.8 -25.1 7.0 16.6 48 51 A Y > + 0 0 2 -2,-0.7 3,-2.0 26,-0.2 130,-0.2 0.345 34.0 106.3-109.6 3.6 -24.1 5.8 13.1 49 52 A D T 3 S+ 0 0 96 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.848 88.4 40.7 -54.0 -35.5 -27.3 6.6 11.2 50 53 A Q T 3 S+ 0 0 118 23,-0.9 -1,-0.3 -3,-0.1 24,-0.2 0.268 84.3 145.1 -97.8 11.6 -25.7 9.6 9.4 51 54 A A < - 0 0 22 -3,-2.0 2,-0.5 22,-0.2 123,-0.1 -0.168 34.1-157.5 -53.7 137.2 -22.3 7.9 8.8 52 55 A T - 0 0 44 16,-0.3 16,-2.7 122,-0.1 2,-0.1 -0.851 4.5-165.3-120.0 96.8 -20.5 8.9 5.6 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.478 11.8 172.8 -72.7 150.1 -18.0 6.5 4.3 54 57 A L E - 0 0 80 12,-3.0 118,-1.8 1,-0.4 2,-0.3 0.660 52.4 -3.6-123.7 -38.4 -15.6 7.9 1.6 55 58 A R E -EF 66 171B 80 11,-1.1 11,-3.0 116,-0.3 2,-0.4 -0.996 46.1-137.1-162.8 151.0 -12.9 5.5 0.8 56 59 A I E -EF 65 170B 0 114,-2.9 114,-2.3 -2,-0.3 2,-0.4 -0.965 28.6-170.5-118.6 135.4 -11.2 2.2 1.5 57 60 A L E -EF 64 169B 32 7,-2.6 7,-2.6 -2,-0.4 2,-0.8 -0.983 26.7-144.9-132.1 135.4 -7.4 2.1 1.6 58 61 A N E +E 63 0B 0 110,-3.2 109,-2.9 -2,-0.4 5,-0.2 -0.867 22.1 178.8 -90.3 107.1 -4.7 -0.6 1.8 59 62 A N - 0 0 55 3,-1.7 4,-0.1 -2,-0.8 -1,-0.1 0.259 53.3-102.6 -94.5 12.5 -2.1 1.1 4.0 60 63 A G S S+ 0 0 5 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.340 116.5 56.1 81.9 -6.7 0.3 -1.8 4.0 61 64 A H S S- 0 0 42 1,-0.5 2,-0.3 -58,-0.1 -1,-0.1 0.578 124.5 -32.0-121.2 -30.0 -0.6 -3.0 7.5 62 65 A A S S- 0 0 6 -5,-0.1 -3,-1.7 164,-0.1 -1,-0.5 -0.860 71.6 -86.5-160.9-168.4 -4.4 -3.4 7.2 63 66 A F E -E 58 0B 0 -2,-0.3 2,-0.5 29,-0.2 29,-0.4 -0.988 34.7-152.8-116.9 137.7 -7.2 -1.8 5.3 64 67 A N E -E 57 0B 23 -7,-2.6 -7,-2.6 -2,-0.4 2,-0.7 -0.914 9.0-154.4-107.0 130.4 -9.0 1.3 6.5 65 68 A V E -EG 56 90B 0 25,-2.8 25,-1.9 -2,-0.5 2,-0.3 -0.932 28.7-153.4 -95.6 112.1 -12.6 2.3 5.7 66 69 A E E -EG 55 89B 45 -11,-3.0 -12,-3.0 -2,-0.7 -11,-1.1 -0.648 9.2-159.4 -95.1 145.1 -12.5 6.1 6.1 67 70 A F E -E 53 0B 8 21,-2.8 2,-0.8 -2,-0.3 -14,-0.2 -0.797 30.7-102.4-119.4 156.0 -15.4 8.3 7.1 68 71 A D + 0 0 35 -16,-2.7 -16,-0.3 -2,-0.3 3,-0.3 -0.744 40.2 174.4 -76.8 113.1 -16.1 12.0 6.7 69 72 A D + 0 0 40 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.034 47.3 105.2-111.5 27.6 -15.5 13.3 10.2 70 73 A S S S+ 0 0 80 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.439 86.5 29.4 -90.9 -2.2 -15.9 17.0 9.4 71 74 A Q S S- 0 0 115 -3,-0.3 2,-1.3 3,-0.0 3,-0.4 -0.949 99.7 -89.3-143.2 166.2 -19.3 17.1 11.1 72 75 A D S S+ 0 0 96 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.668 78.2 123.7 -76.4 92.8 -21.0 15.2 14.0 73 76 A K S S+ 0 0 49 -2,-1.3 -23,-0.9 1,-0.3 2,-0.4 0.629 71.1 27.8-123.9 -39.4 -22.5 12.4 11.9 74 77 A A S S+ 0 0 6 -3,-0.4 13,-3.1 -24,-0.2 2,-0.4 -0.911 83.0 168.7-132.4 103.7 -21.2 9.1 13.3 75 78 A V E -DH 47 86B 13 -28,-2.1 -28,-3.0 -2,-0.4 2,-0.4 -0.943 30.0-153.8-131.7 144.4 -20.5 9.4 17.0 76 79 A L E +DH 46 85B 0 9,-2.7 9,-2.6 -2,-0.4 2,-0.3 -0.910 32.9 142.9-106.3 133.1 -19.7 7.4 20.1 77 80 A K E +D 45 0B 64 -32,-1.9 -32,-2.9 -2,-0.4 7,-0.1 -0.925 37.9 40.9-153.7-178.2 -20.6 8.7 23.5 78 81 A G E > S+D 44 0B 18 5,-0.5 3,-2.6 3,-0.3 -34,-0.3 -0.406 75.0 88.4 70.2-147.7 -21.9 7.5 26.9 79 82 A G T 3 S- 0 0 5 -36,-2.2 -37,-1.3 1,-0.3 -1,-0.1 -0.410 121.8 -27.9 54.3-129.6 -20.4 4.2 28.1 80 83 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.426 116.8 110.5 -86.9 -0.1 -17.3 5.2 30.1 81 84 A L < - 0 0 14 -3,-2.6 2,-0.4 -39,-0.1 -3,-0.3 -0.489 56.9-151.1 -89.1 145.6 -16.8 8.4 27.9 82 85 A D S S- 0 0 142 -2,-0.2 -1,-0.0 -5,-0.1 2,-0.0 -0.914 70.9 -8.8 -97.9 135.6 -17.2 12.0 28.8 83 86 A G S S- 0 0 51 -2,-0.4 -5,-0.5 38,-0.1 2,-0.4 -0.261 98.7 -42.2 77.3-161.2 -18.2 14.0 25.7 84 87 A T - 0 0 29 -7,-0.1 38,-2.9 -9,-0.0 2,-0.5 -0.894 39.7-163.1-123.4 132.3 -18.4 13.1 22.1 85 88 A Y E -HI 76 121B 6 -9,-2.6 -9,-2.7 -2,-0.4 2,-0.4 -0.966 14.6-141.8-121.9 126.6 -16.1 11.0 19.9 86 89 A R E -HI 75 120B 47 34,-2.9 34,-2.3 -2,-0.5 2,-0.3 -0.752 18.8-118.5 -93.3 131.9 -16.3 11.1 16.0 87 90 A L E + I 0 119B 3 -13,-3.1 32,-0.3 -2,-0.4 -13,-0.1 -0.471 38.1 165.2 -64.7 121.5 -15.8 8.1 13.8 88 91 A I E - 0 0 35 30,-2.9 -21,-2.8 1,-0.4 2,-0.3 0.771 59.0 -25.6-104.2 -42.5 -12.8 8.5 11.6 89 92 A Q E -GI 66 118B 30 29,-1.1 29,-2.9 -23,-0.3 -1,-0.4 -0.984 47.1-142.9-161.6 159.8 -12.1 5.0 10.2 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.8 -2,-0.3 2,-0.3 -0.965 22.6 162.1-125.8 158.0 -12.4 1.3 10.9 91 94 A H E - I 0 116B 23 25,-1.6 25,-3.0 -2,-0.3 2,-0.3 -0.917 24.1-129.0-155.3 176.1 -10.0 -1.6 10.2 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.2 -0.852 1.3-147.0-130.0 165.0 -9.5 -5.1 11.3 93 96 A H E + I 0 114B 2 21,-1.8 21,-2.3 -2,-0.3 2,-0.3 -0.987 32.3 169.5-128.2 136.1 -6.6 -7.3 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.9 -0.956 24.3-112.1-150.3 172.5 -6.7 -11.0 11.6 95 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.7 3,-0.1 -0.298 22.5-124.4-102.5 173.0 -4.8 -14.3 11.5 96 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 1,-0.1 5,-0.1 0.555 106.6 30.5 -82.0 -15.0 -3.3 -16.7 9.0 97 100 A L S > S- 0 0 107 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.951 90.1-111.4-140.5 155.0 -5.5 -19.3 10.7 98 101 A D T 3 S+ 0 0 76 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.773 110.1 71.4 -63.1 -23.0 -9.0 -19.1 12.3 99 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.455 106.5 24.7 -74.7 -0.2 -7.3 -19.8 15.7 100 103 A Q < + 0 0 52 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.3 -0.968 65.5 101.8-156.1 167.3 -5.6 -16.4 16.0 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.032 54.4 106.3 144.0 -40.0 -6.0 -12.8 14.7 102 105 A S - 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