==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 28-JUL-11 3T5Z . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DI FIORE,A.MARESCA,V.ALTERIO,C.T.SUPURAN,G.DE SIMONE . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12114.0 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 . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 22.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 32 12.4 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 . 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 2 2 0 2 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 0 181 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 61.0 13.4 -1.0 7.8 2 4 A H - 0 0 109 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.270 360.0 -97.9 -60.7 140.1 9.8 0.1 8.1 3 5 A W + 0 0 44 1,-0.1 2,-0.2 2,-0.1 7,-0.2 -0.206 60.4 135.0 -61.3 153.5 7.8 -1.4 11.0 4 6 A G - 0 0 7 5,-2.8 10,-0.1 2,-0.1 -1,-0.1 -0.763 63.9 -79.3-165.4-148.5 5.5 -4.4 10.3 5 7 A Y S S+ 0 0 37 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.174 83.5 110.2-123.3 15.2 4.5 -7.8 11.5 6 8 A G S > S- 0 0 39 4,-0.1 4,-1.4 1,-0.1 3,-0.3 -0.186 84.6 -94.8 -83.9-179.6 7.4 -9.9 10.3 7 9 A K T 4 S+ 0 0 179 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.799 123.4 37.0 -66.1 -29.6 10.2 -11.6 12.2 8 10 A H T 4 S+ 0 0 126 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.497 131.7 24.8-103.6 -4.8 12.6 -8.6 11.8 9 11 A N T 4 S+ 0 0 41 -3,-0.3 -5,-2.8 -6,-0.1 -2,-0.2 0.200 96.4 114.8-142.0 14.9 10.2 -5.7 12.1 10 12 A G S >X S- 0 0 2 -4,-1.4 3,-2.8 -5,-0.2 4,-1.1 0.053 85.7 -63.5 -79.5-170.9 7.3 -7.1 14.1 11 13 A P T 34 S+ 0 0 29 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.739 129.5 58.8 -43.5 -35.9 5.9 -6.3 17.6 12 14 A E T 34 S+ 0 0 145 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.597 110.0 44.0 -75.6 -9.7 9.1 -7.4 19.4 13 15 A H T X> S+ 0 0 58 -3,-2.8 3,-1.7 1,-0.1 4,-0.5 0.627 87.7 87.6-106.1 -20.9 11.1 -4.8 17.4 14 16 A W H >X S+ 0 0 5 -4,-1.1 4,-2.7 1,-0.3 3,-0.7 0.784 74.3 70.3 -51.5 -36.2 8.7 -1.8 17.7 15 17 A H H 34 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.750 88.4 65.6 -57.4 -25.8 10.1 -0.5 21.0 16 18 A K H <4 S+ 0 0 127 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.931 117.6 22.8 -64.9 -45.8 13.4 0.6 19.3 17 19 A D H << S+ 0 0 125 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.709 135.6 39.9 -91.0 -22.6 11.7 3.3 17.2 18 20 A F >< - 0 0 54 -4,-2.7 3,-2.4 -5,-0.2 -1,-0.2 -0.711 65.2-178.9-129.8 81.5 8.7 3.7 19.5 19 21 A P G > S+ 0 0 98 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.732 76.6 74.9 -49.8 -29.2 9.9 3.5 23.2 20 22 A I G > S+ 0 0 57 1,-0.3 3,-2.4 2,-0.2 5,-0.2 0.594 70.4 89.4 -64.6 -7.7 6.3 3.9 24.3 21 23 A A G < S+ 0 0 5 -3,-2.4 -1,-0.3 1,-0.3 -6,-0.1 0.747 92.2 43.3 -60.5 -23.1 5.8 0.2 23.3 22 24 A K G < S+ 0 0 138 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 -0.018 97.2 132.5-109.9 26.4 6.9 -0.6 26.8 23 25 A G S < S- 0 0 15 -3,-2.4 3,-0.4 1,-0.1 -3,-0.0 0.158 70.9 -99.7 -69.0-172.5 4.8 2.1 28.3 24 26 A E S S+ 0 0 115 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.578 113.3 32.7 -88.6 -14.4 2.3 2.1 31.2 25 27 A R S S+ 0 0 47 -5,-0.2 2,-0.2 224,-0.1 -1,-0.2 -0.368 79.9 155.8-141.4 60.5 -0.9 1.8 29.3 26 28 A Q - 0 0 3 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.576 31.6 -99.6 -90.5 152.0 -0.3 -0.3 26.2 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.866 77.5 38.9-125.5 159.2 -2.8 -2.3 24.2 28 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.594 65.5 175.8 -80.8-179.4 -4.1 -4.8 23.5 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.928 36.6 -99.0-141.1 162.9 -4.4 -6.7 26.8 30 32 A D E -a 106 0A 33 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.707 34.0-137.6 -83.2 135.9 -5.9 -10.0 28.0 31 33 A I E -a 107 0A 0 75,-3.3 77,-2.1 -2,-0.4 2,-1.1 -0.848 11.0-158.9 -99.0 103.5 -9.3 -9.4 29.5 32 34 A D >> - 0 0 65 -2,-0.9 4,-1.5 75,-0.2 3,-0.9 -0.747 5.2-161.4 -82.4 102.5 -9.6 -11.6 32.6 33 35 A T T 34 S+ 0 0 42 -2,-1.1 -1,-0.2 1,-0.2 222,-0.0 0.773 86.1 53.2 -58.4 -30.6 -13.4 -11.8 32.9 34 36 A H T 34 S+ 0 0 168 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.751 111.4 45.1 -78.9 -23.0 -13.2 -12.9 36.6 35 37 A T T <4 S+ 0 0 102 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.674 91.1 98.3 -92.0 -20.4 -11.0 -9.9 37.6 36 38 A A < - 0 0 17 -4,-1.5 2,-0.4 218,-0.1 218,-0.2 -0.433 68.3-142.3 -67.4 141.2 -13.0 -7.3 35.7 37 39 A K E -c 254 0B 138 216,-1.7 218,-2.7 -2,-0.1 2,-0.2 -0.909 13.1-115.4-115.3 136.6 -15.4 -5.5 37.9 38 40 A Y E -c 255 0B 89 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.447 30.7-149.3 -63.6 130.9 -18.9 -4.3 37.2 39 41 A D > - 0 0 33 216,-2.6 3,-1.3 -2,-0.2 -1,-0.1 -0.908 15.2-170.4-112.5 109.0 -19.0 -0.5 37.3 40 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.717 84.7 64.9 -66.2 -24.2 -22.3 1.1 38.4 41 43 A S T 3 S+ 0 0 86 2,-0.1 2,-0.4 40,-0.0 -2,-0.0 0.517 75.0 110.1 -80.0 -5.4 -21.0 4.6 37.5 42 44 A L < - 0 0 30 -3,-1.3 3,-0.1 213,-0.2 38,-0.0 -0.584 63.4-142.8 -73.4 126.5 -20.9 3.6 33.8 43 45 A K E -D 80 0B 144 37,-1.5 37,-0.5 -2,-0.4 39,-0.1 -0.441 37.8 -71.2 -85.2 162.1 -23.6 5.4 31.9 44 46 A P E - 0 0 116 0, 0.0 36,-0.7 0, 0.0 2,-0.3 -0.265 53.6-118.8 -54.2 134.3 -25.5 3.8 29.0 45 47 A L E -D 79 0B 25 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.576 26.4-156.6 -76.9 138.3 -23.3 3.4 25.9 46 48 A S E +D 78 0B 34 32,-3.1 32,-2.1 -2,-0.3 2,-0.6 -0.949 15.0 178.8-123.4 114.0 -24.6 5.4 22.9 47 49 A V E +D 77 0B 35 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.941 5.7 177.2-113.7 108.5 -23.6 4.3 19.3 48 50 A S E +D 76 0B 45 28,-2.9 28,-2.0 -2,-0.6 3,-0.2 -0.805 18.8 147.7-117.2 90.8 -25.2 6.6 16.8 49 51 A Y > + 0 0 4 -2,-0.6 3,-1.7 26,-0.2 130,-0.2 0.247 34.0 112.9-104.8 10.5 -24.1 5.7 13.2 50 52 A D T 3 S+ 0 0 84 1,-0.3 -1,-0.2 128,-0.1 24,-0.0 0.841 86.1 35.8 -52.6 -40.2 -27.3 6.6 11.4 51 53 A Q T 3 S+ 0 0 117 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.237 83.7 142.5-100.7 14.9 -25.7 9.5 9.5 52 54 A A < - 0 0 18 -3,-1.7 2,-0.5 1,-0.1 18,-0.1 -0.289 33.1-162.3 -57.1 132.9 -22.3 7.9 9.0 53 55 A T - 0 0 44 16,-0.3 16,-2.8 122,-0.1 2,-0.1 -0.903 1.0-158.0-126.5 105.3 -20.8 8.8 5.6 54 56 A S E +E 68 0B 0 -2,-0.5 121,-0.6 122,-0.4 14,-0.3 -0.423 12.2 178.9 -76.5 154.0 -18.0 6.6 4.3 55 57 A L E - 0 0 84 12,-3.1 118,-2.2 1,-0.4 2,-0.3 0.696 54.8 -9.7-121.3 -47.8 -15.6 8.0 1.7 56 58 A R E -EF 67 172B 84 11,-1.0 11,-3.3 116,-0.3 2,-0.4 -0.985 45.9-134.2-156.9 160.7 -13.0 5.5 0.8 57 59 A I E -EF 66 171B 0 114,-2.5 114,-2.2 -2,-0.3 2,-0.4 -0.971 28.9-170.9-121.0 136.6 -11.3 2.2 1.6 58 60 A L E -EF 65 170B 32 7,-2.1 7,-2.8 -2,-0.4 2,-0.8 -0.988 26.5-144.5-137.1 139.3 -7.5 2.0 1.6 59 61 A N E +E 64 0B 0 110,-2.6 109,-3.0 -2,-0.4 5,-0.2 -0.880 21.8 178.5 -96.1 107.6 -4.8 -0.7 1.9 60 62 A N - 0 0 53 3,-1.8 4,-0.1 -2,-0.8 -1,-0.1 0.277 55.4 -99.1 -95.9 12.4 -2.0 1.0 3.9 61 63 A G S S+ 0 0 6 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.396 118.5 56.3 88.6 -3.5 0.3 -2.0 4.0 62 64 A H S S- 0 0 25 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.553 123.2 -33.7-126.9 -30.7 -0.8 -3.1 7.5 63 65 A A S S- 0 0 5 -5,-0.1 -3,-1.8 164,-0.1 -1,-0.6 -0.881 71.6 -84.2-170.2-168.8 -4.6 -3.5 7.1 64 66 A F E -E 59 0B 0 -2,-0.3 2,-0.5 -5,-0.2 29,-0.5 -0.981 35.6-150.6-121.7 133.9 -7.4 -1.8 5.2 65 67 A N E -E 58 0B 21 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.8 -0.899 7.6-155.1-107.5 128.2 -9.1 1.3 6.4 66 68 A V E -EG 57 91B 0 25,-2.8 25,-1.6 -2,-0.5 2,-0.3 -0.897 28.3-155.2 -98.1 109.0 -12.7 2.3 5.7 67 69 A E E -EG 56 90B 45 -11,-3.3 -12,-3.1 -2,-0.8 -11,-1.0 -0.634 7.8-156.8 -91.4 145.1 -12.5 6.1 6.1 68 70 A F E -E 54 0B 8 21,-2.6 2,-0.9 -14,-0.3 -14,-0.2 -0.830 27.2-109.0-118.4 155.9 -15.4 8.4 6.9 69 71 A D + 0 0 46 -16,-2.8 3,-0.3 -2,-0.3 -16,-0.3 -0.766 38.4 174.6 -83.2 108.5 -16.1 12.1 6.4 70 72 A D + 0 0 43 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.049 46.0 106.9-107.1 30.3 -15.7 13.5 9.9 71 73 A S S S+ 0 0 82 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.618 80.9 45.4 -81.8 -13.7 -16.1 17.1 9.0 72 74 A Q S S- 0 0 109 -3,-0.3 2,-1.8 2,-0.0 0, 0.0 -0.874 101.7 -88.3-128.5 162.6 -19.6 17.2 10.5 73 75 A D S S+ 0 0 120 -2,-0.3 2,-0.3 14,-0.1 3,-0.1 -0.496 80.0 119.8 -72.0 84.2 -21.3 16.0 13.6 74 76 A K + 0 0 57 -2,-1.8 14,-0.4 1,-0.3 -25,-0.1 -0.936 53.0 30.2-142.4 162.0 -22.2 12.5 12.4 75 77 A A S S- 0 0 7 -2,-0.3 13,-2.8 -27,-0.2 2,-0.4 0.967 78.4-176.2 48.4 79.3 -21.5 8.9 13.5 76 78 A V E -DH 48 87B 12 -28,-2.0 -28,-2.9 11,-0.2 2,-0.5 -0.864 25.1-163.0-116.0 142.7 -21.0 9.6 17.2 77 79 A L E +DH 47 86B 0 9,-2.9 9,-2.6 -2,-0.4 2,-0.3 -0.978 30.6 140.9-118.7 129.1 -20.0 7.4 20.2 78 80 A K E +DH 46 85B 95 -32,-2.1 -32,-3.1 -2,-0.5 7,-0.1 -0.915 30.2 49.5-154.0 179.1 -20.7 8.7 23.7 79 81 A G E > S+D 45 0B 18 5,-0.5 3,-2.3 3,-0.3 -34,-0.3 -0.337 73.5 74.7 79.7-164.7 -21.9 7.5 27.1 80 82 A G E 3 S-D 43 0B 7 -36,-0.7 -37,-1.5 -37,-0.5 -1,-0.2 -0.375 124.0 -18.4 59.0-131.0 -20.4 4.5 28.9 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.511 115.5 108.6 -84.9 -3.9 -17.0 5.5 30.3 82 84 A L < - 0 0 11 -3,-2.3 2,-0.6 -39,-0.1 -3,-0.3 -0.492 56.7-153.3 -82.4 142.4 -16.8 8.5 27.9 83 85 A D S S- 0 0 138 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.962 70.2 -12.1-110.2 117.6 -17.1 12.1 28.8 84 86 A G S S- 0 0 51 -2,-0.6 -5,-0.5 39,-0.1 2,-0.4 -0.521 101.5 -42.9 93.5-159.6 -18.4 14.1 25.9 85 87 A T E -H 78 0B 50 -2,-0.2 38,-2.5 -7,-0.1 2,-0.4 -0.933 40.9-160.4-120.8 136.3 -18.7 13.0 22.3 86 88 A Y E -HI 77 122B 4 -9,-2.6 -9,-2.9 -2,-0.4 2,-0.4 -0.942 14.4-142.7-114.7 133.7 -16.4 11.1 20.1 87 89 A R E -HI 76 121B 39 34,-2.8 34,-2.2 -2,-0.4 -11,-0.2 -0.808 17.8-117.7-102.6 133.1 -16.6 11.2 16.3 88 90 A L E + I 0 120B 2 -13,-2.8 32,-0.3 -2,-0.4 -14,-0.1 -0.428 37.2 164.5 -67.0 131.7 -16.0 8.2 14.0 89 91 A I E - 0 0 36 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.663 60.2 -28.4-117.6 -33.5 -13.1 8.7 11.6 90 92 A Q E -GI 67 119B 35 29,-1.2 29,-3.0 -23,-0.2 -1,-0.4 -0.985 47.2-142.4-173.1 166.1 -12.4 5.1 10.3 91 93 A F E +GI 66 118B 0 -25,-1.6 -25,-2.8 -2,-0.3 2,-0.3 -0.974 20.6 162.5-140.5 156.5 -12.5 1.4 11.0 92 94 A H E - I 0 117B 27 25,-1.6 25,-3.1 -2,-0.3 2,-0.3 -0.939 24.0-123.8-158.9 174.5 -10.2 -1.5 10.2 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.814 0.8-149.7-127.7 167.9 -9.5 -5.0 11.3 94 96 A H E + I 0 115B 3 21,-1.5 21,-2.3 -2,-0.3 2,-0.3 -0.986 32.3 167.6-132.4 134.0 -6.7 -7.2 12.6 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.8 -0.935 24.6-116.7-147.4 170.9 -6.8 -10.9 11.6 96 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.7 3,-0.1 -0.400 24.0-118.5-105.8-178.5 -4.9 -14.1 11.5 97 99 A S S S+ 0 0 40 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.589 105.0 32.1 -90.0 -14.3 -3.6 -16.6 9.1 98 100 A L S > S- 0 0 108 3,-0.2 3,-1.7 15,-0.1 -2,-0.2 -0.952 88.6-112.2-138.9 156.1 -5.8 -19.3 10.7 99 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.777 110.0 70.1 -60.8 -26.7 -9.2 -19.1 12.4 100 102 A G T 3 S+ 0 0 60 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.461 107.7 24.7 -72.8 -1.6 -7.6 -19.9 15.8 101 103 A Q < + 0 0 52 -3,-1.7 -5,-0.7 12,-0.1 -3,-0.2 -0.965 66.2 100.5-153.8 165.8 -5.8 -16.5 16.0 102 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.041 53.4 105.4 144.5 -33.3 -6.1 -13.0 14.8 103 105 A S - 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