==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(OXO-ACID) 25-MAY-93 1RZE . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.HAKANSSON,A.WEHNERT,A.LILJAS . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.6 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 . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.6 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 0 222 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-125.8 13.7 -0.9 9.0 2 4 A H - 0 0 115 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.528 360.0-101.4 -85.2 147.1 10.1 0.2 8.9 3 5 A W + 0 0 36 -2,-0.2 2,-0.3 11,-0.1 7,-0.2 -0.209 57.3 137.6 -61.6 154.4 7.8 -1.6 11.4 4 6 A G - 0 0 12 5,-2.2 10,-0.1 2,-0.2 58,-0.1 -0.817 64.1 -83.5-165.9-153.4 5.5 -4.4 10.4 5 7 A Y S S+ 0 0 36 -2,-0.3 5,-0.2 5,-0.2 237,-0.1 0.120 83.8 112.3-119.4 19.0 4.5 -7.8 11.7 6 8 A G S > S- 0 0 38 4,-0.1 4,-1.8 1,-0.1 3,-0.3 -0.222 83.8 -97.0 -85.6-179.6 7.4 -9.9 10.3 7 9 A K T 4 S+ 0 0 131 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.881 123.2 41.3 -64.5 -31.5 10.1 -11.6 12.2 8 10 A H T 4 S+ 0 0 160 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.636 130.0 22.9 -96.0 -8.5 12.5 -8.7 11.7 9 11 A N T 4 S+ 0 0 50 -3,-0.3 -5,-2.2 -6,-0.1 -2,-0.2 0.338 94.1 127.1-138.6 13.5 10.2 -5.8 12.3 10 12 A G S >X S- 0 0 0 -4,-1.8 3,-2.8 -7,-0.2 4,-0.6 0.148 78.7 -72.6 -67.0 178.3 7.5 -7.2 14.4 11 13 A P G >4 S+ 0 0 26 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.737 125.9 62.1 -48.5 -35.8 5.9 -6.2 17.7 12 14 A E G 34 S+ 0 0 98 1,-0.3 3,-0.1 2,-0.1 -5,-0.0 0.615 106.8 46.7 -67.9 -12.3 9.0 -7.3 19.7 13 15 A H G X> S+ 0 0 46 -3,-2.8 3,-1.5 1,-0.1 4,-0.5 0.571 84.9 89.6-104.7 -15.9 11.1 -4.8 17.9 14 16 A W H XX S+ 0 0 6 -3,-0.8 4,-2.5 -4,-0.6 3,-0.9 0.793 72.5 72.0 -56.1 -32.0 8.9 -1.7 18.1 15 17 A H H 34 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.772 86.5 66.4 -54.7 -31.6 10.3 -0.4 21.3 16 18 A K H <4 S+ 0 0 135 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.895 117.9 22.8 -61.0 -41.7 13.6 0.6 19.6 17 19 A D H << S+ 0 0 115 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.741 135.2 37.5 -94.7 -25.2 11.9 3.3 17.6 18 20 A F >< - 0 0 62 -4,-2.5 3,-2.3 1,-0.1 -1,-0.2 -0.820 63.0-177.8-130.6 84.2 8.9 3.9 19.9 19 21 A P G > S+ 0 0 102 0, 0.0 3,-2.1 0, 0.0 -4,-0.1 0.699 77.3 76.1 -56.3 -25.7 10.0 3.5 23.5 20 22 A I G > S+ 0 0 57 1,-0.3 3,-3.0 2,-0.2 -5,-0.1 0.724 70.8 88.9 -60.4 -17.7 6.4 4.1 24.6 21 23 A A G < S+ 0 0 6 -3,-2.3 -1,-0.3 1,-0.3 -6,-0.1 0.742 90.6 44.8 -49.6 -29.3 5.9 0.5 23.5 22 24 A K G < S+ 0 0 137 -3,-2.1 -1,-0.3 -7,-0.1 -2,-0.2 0.017 93.8 136.0-105.2 27.7 6.9 -0.4 27.1 23 25 A G < - 0 0 15 -3,-3.0 3,-0.4 1,-0.1 -3,-0.0 0.008 68.5-107.3 -67.9 177.6 4.6 2.3 28.6 24 26 A E S S+ 0 0 119 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.511 113.1 40.1 -85.7 -14.0 2.3 1.9 31.6 25 27 A R S S+ 0 0 46 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.251 79.6 150.0-137.9 51.1 -0.9 1.9 29.6 26 28 A Q - 0 0 3 -3,-0.4 220,-0.1 221,-0.3 170,-0.1 -0.495 34.9-100.4 -83.6 146.1 -0.2 -0.2 26.5 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.844 75.9 40.8-118.8 159.9 -2.8 -2.2 24.6 28 30 A P + 0 0 0 0, 0.0 218,-3.3 0, 0.0 2,-0.3 0.648 63.2 178.6 -82.0-177.6 -4.1 -4.8 23.9 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.5 -0.862 35.1-102.3-135.3 163.8 -4.5 -6.7 27.2 30 32 A D E -a 106 0A 37 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.826 35.3-134.2 -84.0 135.3 -6.0 -10.1 28.2 31 33 A I E -a 107 0A 0 75,-3.2 77,-3.1 -2,-0.5 2,-0.9 -0.838 13.2-159.2 -96.2 107.9 -9.5 -9.6 29.8 32 34 A D >> - 0 0 63 -2,-0.8 4,-1.2 75,-0.2 3,-1.1 -0.835 4.0-161.2 -86.6 107.0 -9.7 -11.7 32.9 33 35 A T T 34 S+ 0 0 49 -2,-0.9 -1,-0.1 1,-0.3 222,-0.0 0.734 85.6 53.9 -63.6 -24.6 -13.5 -11.9 33.4 34 36 A H T 34 S+ 0 0 162 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.568 113.0 42.2 -87.9 -10.7 -13.3 -12.9 37.0 35 37 A T T <4 S+ 0 0 109 -3,-1.1 -2,-0.2 2,-0.1 218,-0.2 0.520 85.6 105.2-110.0 -14.1 -11.1 -9.9 38.0 36 38 A A S < S- 0 0 19 -4,-1.2 2,-0.5 216,-0.1 218,-0.2 -0.584 72.6-127.0 -64.5 139.9 -12.9 -7.2 36.0 37 39 A K E -c 254 0B 118 216,-2.0 218,-2.4 -2,-0.2 2,-0.2 -0.796 9.6-130.2 -94.8 121.1 -15.0 -5.0 38.4 38 40 A Y E -c 255 0B 80 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.561 26.3-161.4 -63.7 128.3 -18.7 -4.5 37.6 39 41 A D > - 0 0 28 216,-2.5 3,-1.6 -2,-0.2 -1,-0.1 -0.943 12.1-166.6-121.7 107.0 -19.0 -0.7 37.9 40 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.645 83.5 66.0 -67.2 -17.7 -22.7 0.3 38.4 41 43 A S T 3 S+ 0 0 82 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.490 74.6 104.4 -82.3 -9.7 -21.9 4.0 37.7 42 44 A L < - 0 0 27 -3,-1.6 3,-0.1 213,-0.2 -3,-0.0 -0.678 67.4-138.9 -75.4 133.4 -20.9 3.3 34.0 43 45 A K - 0 0 120 37,-1.0 2,-0.1 -2,-0.4 39,-0.1 -0.313 26.3 -90.6 -86.6 165.9 -23.7 4.5 31.7 44 46 A P - 0 0 108 0, 0.0 36,-1.5 0, 0.0 2,-0.2 -0.482 49.6-101.1 -71.4 149.2 -24.9 2.6 28.7 45 47 A L E -D 79 0B 18 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.531 26.4-147.5 -71.7 149.5 -23.1 3.4 25.4 46 48 A S E -D 78 0B 49 32,-2.8 32,-2.0 -2,-0.2 2,-0.6 -0.978 15.8-176.7-121.2 107.6 -24.8 5.7 23.0 47 49 A V E +D 77 0B 34 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.966 4.0 179.4-106.5 112.6 -24.0 4.9 19.3 48 50 A S E +D 76 0B 35 28,-2.9 28,-2.2 -2,-0.6 3,-0.1 -0.853 23.8 142.1-119.0 95.9 -25.5 7.3 16.8 49 51 A Y > + 0 0 3 -2,-0.6 3,-1.6 26,-0.2 130,-0.2 0.153 35.7 105.3-113.6 11.1 -24.4 6.1 13.3 50 52 A D T 3 S+ 0 0 102 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.812 85.2 46.5 -67.1 -24.7 -27.6 6.8 11.4 51 53 A Q T 3 S+ 0 0 132 23,-0.8 -1,-0.3 -3,-0.1 24,-0.2 0.310 83.3 143.9-100.3 15.9 -26.0 9.9 9.7 52 54 A A < - 0 0 24 -3,-1.6 2,-0.5 22,-0.2 123,-0.1 -0.135 33.2-162.8 -56.4 134.4 -22.7 8.1 8.9 53 55 A T - 0 0 50 16,-0.3 16,-2.9 122,-0.1 2,-0.2 -0.919 4.0-163.8-123.1 103.9 -21.1 9.1 5.6 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.530 12.3 173.8 -81.8 148.7 -18.4 6.6 4.4 55 57 A L E - 0 0 75 12,-3.2 118,-2.2 1,-0.4 2,-0.3 0.682 50.6 -5.1-123.1 -38.0 -16.1 7.9 1.7 56 58 A R E -EF 67 172B 86 11,-1.2 11,-2.7 116,-0.3 -1,-0.4 -0.995 45.1-136.3-159.3 157.5 -13.3 5.5 0.9 57 59 A I E -EF 66 171B 0 114,-3.1 114,-2.4 -2,-0.3 2,-0.4 -0.958 29.6-172.1-118.6 139.3 -11.5 2.3 1.6 58 60 A L E -EF 65 170B 28 7,-2.3 7,-2.6 -2,-0.4 2,-0.8 -0.998 27.8-141.7-138.0 140.1 -7.7 2.3 1.7 59 61 A N E +E 64 0B 0 110,-3.0 109,-2.9 -2,-0.4 5,-0.2 -0.830 23.7 179.5 -91.8 106.9 -4.9 -0.4 2.0 60 62 A N - 0 0 34 3,-2.3 4,-0.1 -2,-0.8 -1,-0.1 0.224 52.8-100.8 -94.2 8.5 -2.4 1.5 4.2 61 63 A G S S+ 0 0 12 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.251 116.9 51.8 93.8 -16.1 0.1 -1.3 4.2 62 64 A H S S- 0 0 49 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.516 124.5 -25.4-125.4 -15.7 -0.8 -2.7 7.7 63 65 A A S S- 0 0 2 164,-0.1 -3,-2.3 165,-0.1 -1,-0.6 -0.920 71.1 -88.5-171.2-175.7 -4.6 -3.1 7.3 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.3 2,-0.4 -0.963 36.4-157.9-113.2 132.2 -7.5 -1.7 5.3 65 67 A N E -E 58 0B 19 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.6 -0.942 9.8-153.2-108.5 137.0 -9.3 1.4 6.7 66 68 A V E -EG 57 91B 0 25,-2.9 25,-1.9 -2,-0.4 2,-0.3 -0.959 27.5-152.8 -99.6 123.9 -12.9 2.4 5.8 67 69 A E E -EG 56 90B 48 -11,-2.7 -12,-3.2 -2,-0.6 -11,-1.2 -0.759 10.0-160.7-103.9 150.4 -12.9 6.3 6.3 68 70 A F E -E 54 0B 8 21,-2.8 2,-0.6 -2,-0.3 -14,-0.2 -0.798 32.4 -96.5-124.2 160.2 -15.8 8.5 7.1 69 71 A D + 0 0 38 -16,-2.9 -16,-0.3 -2,-0.3 5,-0.2 -0.694 41.3 171.8 -77.9 120.5 -16.6 12.2 6.8 70 72 A D + 0 0 41 -2,-0.6 -1,-0.1 1,-0.1 17,-0.1 -0.076 45.5 108.4-117.8 22.9 -15.8 13.6 10.3 71 73 A S S S+ 0 0 80 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.553 90.5 19.2 -76.3 -11.5 -16.1 17.3 9.4 72 74 A Q S S- 0 0 116 -3,-0.1 2,-2.2 3,-0.1 3,-0.4 -0.935 100.4 -81.3-150.2 167.3 -19.3 17.3 11.5 73 75 A D S S+ 0 0 88 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.406 76.4 128.8 -74.9 68.0 -21.1 15.3 14.2 74 76 A K S S+ 0 0 50 -2,-2.2 -23,-0.8 1,-0.3 2,-0.5 0.882 74.4 22.0 -89.8 -52.8 -22.5 12.7 11.8 75 77 A A S S+ 0 0 4 -3,-0.4 13,-2.6 -6,-0.2 2,-0.3 -0.981 84.7 168.5-123.5 109.2 -21.5 9.3 13.4 76 78 A V E -DH 48 87B 9 -28,-2.2 -28,-2.9 -2,-0.5 2,-0.4 -0.920 27.7-153.7-128.7 157.4 -20.8 9.8 17.1 77 79 A L E +DH 47 86B 0 9,-2.8 9,-2.4 -2,-0.3 2,-0.3 -0.963 28.7 148.9-121.3 139.7 -20.2 7.7 20.3 78 80 A K E +D 46 0B 70 -32,-2.0 -32,-2.8 -2,-0.4 7,-0.1 -0.940 35.6 46.0-157.5 178.0 -21.0 9.0 23.8 79 81 A G E > S+D 45 0B 21 3,-0.4 3,-2.4 5,-0.4 -34,-0.3 -0.398 71.8 86.2 78.2-157.7 -22.1 7.7 27.2 80 82 A G T 3 S- 0 0 0 -36,-1.5 -37,-1.0 1,-0.3 -1,-0.1 -0.365 121.8 -28.9 60.0-140.0 -20.4 4.6 28.7 81 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.350 115.0 113.0 -87.1 6.7 -17.3 5.9 30.5 82 84 A L < - 0 0 13 -3,-2.4 2,-0.5 -39,-0.1 -3,-0.4 -0.620 52.8-156.0 -88.0 146.5 -16.9 8.9 28.1 83 85 A D + 0 0 132 -2,-0.3 2,-0.1 53,-0.1 -3,-0.0 -0.956 69.6 2.2-108.9 122.4 -17.3 12.6 28.8 84 86 A G S S- 0 0 46 -2,-0.5 2,-0.4 39,-0.1 -5,-0.4 -0.370 98.6 -51.9 94.3 175.8 -18.2 14.5 25.6 85 87 A T - 0 0 33 -7,-0.1 38,-2.3 -2,-0.1 2,-0.4 -0.877 40.1-158.7-102.7 136.4 -18.8 13.4 22.0 86 88 A Y E -HI 77 122B 4 -9,-2.4 -9,-2.8 -2,-0.4 2,-0.4 -0.967 12.2-145.9-116.4 121.1 -16.5 11.2 20.0 87 89 A R E -HI 76 121B 45 34,-2.4 34,-2.4 -2,-0.4 2,-0.3 -0.798 18.7-119.8 -89.9 134.2 -16.7 11.4 16.1 88 90 A L E + I 0 120B 2 -13,-2.6 32,-0.3 -2,-0.4 -13,-0.2 -0.555 36.5 167.6 -73.8 130.6 -16.1 8.2 14.1 89 91 A I E - 0 0 32 30,-2.5 -21,-2.8 1,-0.4 2,-0.3 0.644 60.4 -22.5-112.5 -39.9 -13.2 8.7 11.7 90 92 A Q E -GI 67 119B 30 29,-1.2 29,-3.3 -23,-0.2 -1,-0.4 -0.997 46.9-144.0-161.3 166.1 -12.5 5.2 10.5 91 93 A F E +GI 66 118B 0 -25,-1.9 -25,-2.9 -2,-0.3 2,-0.3 -0.980 23.7 162.1-130.9 157.9 -12.9 1.4 11.2 92 94 A H E - I 0 117B 23 25,-1.9 25,-3.2 -2,-0.3 2,-0.3 -0.877 25.3-120.9-157.3-179.6 -10.4 -1.4 10.4 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.885 1.2-151.4-130.5 157.9 -9.7 -5.0 11.3 94 96 A H E + I 0 115B 4 21,-1.7 21,-2.1 -2,-0.3 2,-0.3 -0.964 33.9 169.5-120.5 134.6 -6.8 -7.1 12.8 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.1 19,-0.2 145,-0.4 -0.897 23.5-119.7-146.3 172.2 -6.9 -10.8 11.6 96 98 A G - 0 0 0 17,-1.2 6,-0.1 5,-0.6 3,-0.1 -0.499 22.6-121.0-113.3 177.4 -5.0 -14.0 11.6 97 99 A S S S+ 0 0 48 -2,-0.2 2,-0.3 142,-0.2 5,-0.1 0.555 104.5 31.3 -86.5 -14.4 -3.4 -16.5 9.2 98 100 A L S > S- 0 0 107 3,-0.2 3,-1.8 15,-0.1 -2,-0.1 -0.966 90.0-109.2-135.8 162.7 -5.6 -19.2 10.8 99 101 A D T 3 S+ 0 0 68 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.703 110.1 67.8 -67.0 -21.3 -9.1 -19.2 12.5 100 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.368 107.2 28.1 -83.0 6.4 -7.6 -19.7 15.9 101 103 A Q < + 0 0 51 -3,-1.8 -5,-0.6 12,-0.2 -3,-0.2 -0.957 64.1 99.8-155.9 166.3 -5.9 -16.3 16.1 102 104 A G + 0 0 1 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.025 56.0 104.4 143.4 -34.1 -6.2 -12.8 14.8 103 105 A S - 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