==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-JUL-06 2HOC . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.MENCHISE,A.DI FIORE,G.DE SIMONE . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11948.0 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 . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 22.5 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 . 35 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 6.2 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 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 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 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 0 227 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-136.4 13.4 -0.8 8.0 2 4 A H - 0 0 92 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.306 360.0 -96.3 -63.8 144.2 9.7 0.3 8.4 3 5 A W + 0 0 39 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.219 61.2 136.6 -61.9 152.1 7.7 -1.4 11.2 4 6 A G - 0 0 6 5,-3.0 9,-0.2 2,-0.2 10,-0.1 -0.771 63.3 -81.1-164.6-151.9 5.6 -4.4 10.4 5 7 A Y S S+ 0 0 37 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 0.033 82.1 113.2-123.7 26.5 4.6 -7.8 11.6 6 8 A G S >> S- 0 0 37 1,-0.1 4,-1.4 4,-0.1 3,-0.6 -0.390 84.0 -96.5 -92.3 174.4 7.5 -9.8 10.3 7 9 A K T 34 S+ 0 0 181 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.775 124.0 37.6 -62.1 -25.9 10.2 -11.6 12.3 8 10 A H T 34 S+ 0 0 152 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.520 130.6 25.5-105.8 -4.2 12.6 -8.6 12.0 9 11 A N T <4 S+ 0 0 49 -3,-0.6 -5,-3.0 -6,-0.1 -2,-0.2 0.130 95.4 119.5-141.4 18.5 10.2 -5.7 12.2 10 12 A G S >X S- 0 0 4 -4,-1.4 3,-3.0 -5,-0.2 4,-1.0 0.012 83.5 -67.4 -78.7-173.4 7.3 -7.2 14.2 11 13 A P T 34 S+ 0 0 28 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.798 129.8 57.6 -42.9 -42.6 5.8 -6.3 17.7 12 14 A E T 34 S+ 0 0 140 1,-0.2 -5,-0.0 2,-0.1 -2,-0.0 0.529 109.4 47.1 -72.8 -4.0 8.9 -7.3 19.6 13 15 A H T X4 S+ 0 0 56 -3,-3.0 3,-1.7 -9,-0.2 4,-0.4 0.640 86.2 86.3-106.7 -22.7 10.9 -4.8 17.6 14 16 A W G >X S+ 0 0 6 -4,-1.0 4,-2.9 -3,-0.4 3,-1.1 0.803 74.2 71.9 -50.4 -36.9 8.7 -1.7 17.8 15 17 A H G 34 S+ 0 0 70 -4,-0.5 -1,-0.3 1,-0.2 6,-0.1 0.781 86.5 66.9 -53.7 -29.9 10.2 -0.5 21.1 16 18 A K G <4 S+ 0 0 130 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.895 118.3 20.4 -61.2 -41.2 13.4 0.5 19.3 17 19 A D T <4 S+ 0 0 124 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.693 133.3 44.6 -98.1 -23.5 11.8 3.3 17.3 18 20 A F >< - 0 0 55 -4,-2.9 3,-2.3 -5,-0.2 -1,-0.2 -0.756 65.3-177.5-126.2 82.4 8.7 3.7 19.6 19 21 A P G > S+ 0 0 105 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.781 76.9 72.3 -47.1 -37.7 9.9 3.6 23.2 20 22 A I G > S+ 0 0 61 1,-0.3 3,-2.9 179,-0.2 5,-0.2 0.599 70.5 93.4 -59.6 -9.3 6.3 3.9 24.5 21 23 A A G < S+ 0 0 6 -3,-2.3 -1,-0.3 1,-0.3 -6,-0.1 0.780 92.2 40.2 -55.0 -26.6 6.0 0.3 23.4 22 24 A K G < S+ 0 0 138 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 0.015 96.5 129.6-109.3 23.4 6.9 -0.6 27.0 23 25 A G S < S- 0 0 14 -3,-2.9 3,-0.4 1,-0.1 -3,-0.0 0.136 72.3 -98.2 -67.4-171.1 4.9 2.2 28.5 24 26 A E S S+ 0 0 118 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.681 112.7 35.4 -87.2 -22.3 2.3 2.0 31.3 25 27 A R S S+ 0 0 48 -5,-0.2 -1,-0.2 168,-0.1 2,-0.2 -0.370 78.0 154.7-132.9 62.4 -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 -0.536 33.3-100.8 -87.9 151.4 -0.2 -0.2 26.2 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.879 79.2 41.0-124.3 157.3 -2.8 -2.2 24.2 28 30 A P + 0 0 0 0, 0.0 218,-3.2 0, 0.0 2,-0.3 0.614 66.0 174.7 -82.1 178.6 -4.0 -4.7 23.5 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.886 37.6 -96.6-138.1 165.0 -4.3 -6.6 26.8 30 32 A D E -a 106 0A 36 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.718 35.3-134.7 -84.3 138.3 -5.9 -9.9 27.9 31 33 A I E -a 107 0A 0 75,-3.3 77,-2.2 -2,-0.4 2,-1.3 -0.814 13.0-161.0 -97.8 100.8 -9.4 -9.4 29.4 32 34 A D >> - 0 0 61 -2,-0.9 4,-1.7 1,-0.2 3,-0.6 -0.686 4.4-165.0 -81.1 96.8 -9.6 -11.4 32.6 33 35 A T T 34 S+ 0 0 42 -2,-1.3 -1,-0.2 1,-0.2 222,-0.0 0.766 85.5 52.4 -54.4 -30.9 -13.4 -11.6 32.8 34 36 A H T 34 S+ 0 0 165 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.848 112.6 43.5 -76.8 -32.9 -13.3 -12.7 36.4 35 37 A T T <4 S+ 0 0 101 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.647 91.3 100.4 -85.6 -17.8 -11.0 -9.9 37.5 36 38 A A < - 0 0 16 -4,-1.7 2,-0.4 216,-0.1 218,-0.2 -0.500 67.8-144.1 -68.4 137.2 -13.0 -7.3 35.5 37 39 A K E -c 254 0B 142 216,-2.0 218,-2.7 -2,-0.2 2,-0.1 -0.886 11.5-117.7-111.7 136.8 -15.3 -5.4 37.8 38 40 A Y E -c 255 0B 97 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.432 30.0-151.5 -65.9 138.7 -18.8 -4.1 37.1 39 41 A D > - 0 0 33 216,-2.2 3,-1.0 1,-0.1 -1,-0.1 -0.955 16.9-169.4-122.4 116.3 -18.9 -0.3 37.3 40 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.777 85.1 67.5 -70.9 -28.2 -22.2 1.5 38.3 41 43 A S T 3 S+ 0 0 88 2,-0.0 2,-0.4 40,-0.0 -2,-0.0 0.564 75.4 110.3 -70.6 -7.1 -20.8 4.9 37.4 42 44 A L < - 0 0 29 -3,-1.0 3,-0.1 213,-0.1 38,-0.0 -0.575 64.4-142.6 -73.3 122.1 -20.7 3.9 33.7 43 45 A K E -D 80 0B 143 37,-1.5 37,-1.0 -2,-0.4 39,-0.1 -0.428 38.3 -76.0 -79.6 158.2 -23.4 5.8 31.8 44 46 A P E - 0 0 117 0, 0.0 36,-0.6 0, 0.0 2,-0.3 -0.278 52.9-117.7 -54.9 138.2 -25.3 4.0 29.0 45 47 A L E -D 79 0B 23 34,-0.3 2,-0.5 141,-0.1 34,-0.3 -0.632 27.0-156.3 -80.0 136.5 -23.1 3.6 25.9 46 48 A S E -D 78 0B 48 32,-3.3 32,-2.5 -2,-0.3 2,-0.6 -0.952 14.5-179.0-121.8 117.8 -24.4 5.4 22.8 47 49 A V E +D 77 0B 32 -2,-0.5 2,-0.9 30,-0.2 30,-0.2 -0.903 5.9 178.7-114.7 99.7 -23.5 4.4 19.3 48 50 A S E +D 76 0B 45 28,-2.3 28,-1.6 -2,-0.6 3,-0.2 -0.780 21.7 143.9-105.7 89.2 -25.2 6.8 16.8 49 51 A Y > + 0 0 2 -2,-0.9 3,-1.7 26,-0.2 130,-0.2 0.274 36.7 104.0-107.8 10.9 -24.1 5.7 13.3 50 52 A D T 3 S+ 0 0 95 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.802 86.0 45.7 -65.0 -26.5 -27.3 6.3 11.3 51 53 A Q T 3 S+ 0 0 117 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.183 85.1 144.2 -99.5 16.7 -25.8 9.5 9.7 52 54 A A < - 0 0 21 -3,-1.7 2,-0.5 22,-0.1 123,-0.1 -0.265 35.3-159.3 -60.3 137.5 -22.5 7.8 8.9 53 55 A T - 0 0 49 16,-0.3 16,-2.1 122,-0.1 2,-0.2 -0.860 3.8-163.8-122.8 96.0 -20.8 8.8 5.7 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.539 11.4 175.2 -75.4 145.9 -18.3 6.3 4.4 55 57 A L E - 0 0 74 12,-2.8 118,-1.9 1,-0.4 2,-0.3 0.725 51.0 -16.7-119.7 -44.1 -15.9 7.8 1.8 56 58 A R E -EF 67 172B 88 11,-1.0 11,-2.6 116,-0.3 2,-0.4 -0.991 45.1-129.9-162.5 165.1 -13.2 5.3 0.8 57 59 A I E -EF 66 171B 0 114,-2.7 114,-2.7 -2,-0.3 2,-0.4 -0.964 30.7-177.5-121.9 136.6 -11.4 2.1 1.6 58 60 A L E -EF 65 170B 27 7,-2.1 7,-2.4 -2,-0.4 2,-0.7 -0.996 28.7-136.4-143.7 146.3 -7.6 1.9 1.5 59 61 A N E +E 64 0B 0 110,-2.9 109,-2.8 -2,-0.4 5,-0.2 -0.870 19.9 179.6 -96.6 113.5 -4.7 -0.5 2.0 60 62 A N - 0 0 50 3,-2.1 4,-0.1 -2,-0.7 -1,-0.1 0.186 55.4-101.5-100.2 16.6 -2.0 1.1 4.1 61 63 A G S S+ 0 0 6 2,-0.3 3,-0.1 166,-0.3 106,-0.1 0.457 117.9 57.8 80.6 -0.2 0.3 -1.9 4.1 62 64 A H S S- 0 0 29 1,-0.7 2,-0.3 -58,-0.1 -1,-0.1 0.546 123.3 -37.2-127.8 -31.7 -0.8 -3.0 7.6 63 65 A A S S- 0 0 6 165,-0.1 -3,-2.1 164,-0.1 -1,-0.7 -0.898 70.7 -82.8-172.3-170.2 -4.5 -3.4 7.2 64 66 A F E -E 59 0B 0 -2,-0.3 2,-0.4 -5,-0.2 29,-0.4 -0.966 34.6-154.6-119.8 136.4 -7.4 -1.7 5.3 65 67 A N E -E 58 0B 21 -7,-2.4 -7,-2.1 -2,-0.4 2,-0.7 -0.910 9.5-155.7-112.4 133.3 -9.2 1.4 6.5 66 68 A V E -EG 57 91B 0 25,-2.5 25,-1.5 -2,-0.4 2,-0.3 -0.946 28.1-156.1-101.9 112.2 -12.7 2.4 5.7 67 69 A E E -EG 56 90B 55 -11,-2.6 -12,-2.8 -2,-0.7 -11,-1.0 -0.659 7.2-157.6 -94.5 152.8 -12.6 6.2 6.3 68 70 A F E -E 54 0B 8 21,-2.9 2,-0.8 -2,-0.3 -14,-0.2 -0.829 29.6 -98.4-124.1 162.6 -15.5 8.4 7.1 69 71 A D + 0 0 40 -16,-2.1 3,-0.3 -2,-0.3 -16,-0.3 -0.723 40.4 172.2 -82.2 112.1 -16.3 12.1 6.8 70 72 A D + 0 0 40 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.006 45.7 107.9-110.8 27.7 -15.7 13.5 10.3 71 73 A S S S+ 0 0 78 1,-0.0 2,-0.3 56,-0.0 -1,-0.2 0.596 90.7 22.9 -78.4 -11.1 -16.0 17.2 9.4 72 74 A Q S S- 0 0 115 -3,-0.3 2,-1.2 3,-0.0 3,-0.4 -0.960 99.9 -87.9-148.1 159.7 -19.4 17.1 11.3 73 75 A D S S+ 0 0 87 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.618 72.9 129.0 -74.8 100.6 -21.0 15.0 14.0 74 76 A K S S+ 0 0 38 -2,-1.2 -23,-0.9 1,-0.3 2,-0.4 0.640 74.0 26.2-121.4 -36.7 -22.5 12.3 11.8 75 77 A A S S+ 0 0 6 -3,-0.4 13,-3.0 -24,-0.2 2,-0.3 -0.914 83.0 168.3-132.9 100.0 -21.4 9.1 13.4 76 78 A V E -DH 48 87B 16 -28,-1.6 -28,-2.3 -2,-0.4 2,-0.4 -0.837 30.1-147.9-121.6 158.4 -20.6 9.6 17.1 77 79 A L E +DH 47 86B 0 9,-2.6 9,-1.6 -2,-0.3 2,-0.3 -0.982 32.1 155.8-119.5 128.6 -19.8 7.5 20.1 78 80 A K E +D 46 0B 79 -32,-2.5 -32,-3.3 -2,-0.4 7,-0.1 -0.854 33.7 35.8-142.2 177.5 -20.9 8.8 23.5 79 81 A G E > S+D 45 0B 18 5,-0.4 3,-2.0 3,-0.3 -34,-0.3 -0.245 74.6 80.0 73.2-162.8 -21.8 7.5 27.0 80 82 A G E 3 S-D 43 0B 5 -37,-1.0 -37,-1.5 -36,-0.6 -1,-0.1 -0.391 121.2 -23.5 62.3-135.3 -20.1 4.6 28.7 81 83 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.417 114.3 113.4 -87.3 2.2 -16.8 5.8 30.2 82 84 A L < - 0 0 10 -3,-2.0 2,-0.6 -39,-0.1 -3,-0.3 -0.540 54.7-155.5 -84.7 140.4 -16.6 8.7 27.8 83 85 A D - 0 0 127 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.948 68.6 -11.7-110.9 109.7 -16.9 12.3 28.6 84 86 A G S S- 0 0 41 -2,-0.6 -5,-0.4 39,-0.1 2,-0.3 -0.520 99.8 -41.3 100.2-167.4 -18.1 14.2 25.6 85 87 A T - 0 0 29 -2,-0.2 38,-2.5 -7,-0.1 2,-0.4 -0.804 42.6-164.1-107.0 142.4 -18.6 13.3 22.0 86 88 A Y E -HI 77 122B 3 -9,-1.6 -9,-2.6 -2,-0.3 2,-0.4 -0.994 13.4-141.8-127.2 127.3 -16.3 11.2 19.8 87 89 A R E -HI 76 121B 44 34,-2.3 34,-1.7 -2,-0.4 2,-0.3 -0.709 18.0-119.3 -93.3 136.8 -16.5 11.1 16.0 88 90 A L E + I 0 120B 2 -13,-3.0 32,-0.3 -2,-0.4 -13,-0.2 -0.526 37.6 165.4 -71.3 126.7 -15.9 8.0 13.9 89 91 A I E - 0 0 35 30,-3.0 -21,-2.9 1,-0.4 2,-0.3 0.717 60.0 -23.1-110.7 -37.1 -13.0 8.6 11.5 90 92 A Q E -GI 67 119B 34 29,-1.2 29,-3.2 -23,-0.3 -1,-0.4 -0.988 47.7-148.2-166.5 164.6 -12.2 5.1 10.3 91 93 A F E +GI 66 118B 0 -25,-1.5 -25,-2.5 -2,-0.3 2,-0.3 -0.977 20.4 161.8-140.9 152.0 -12.4 1.4 11.0 92 94 A H E - I 0 117B 23 25,-1.7 25,-2.7 -2,-0.3 2,-0.3 -0.868 24.7-123.2-153.2-178.7 -10.2 -1.5 10.2 93 95 A F E - I 0 116B 0 -29,-0.4 2,-0.4 -2,-0.3 23,-0.2 -0.837 1.3-147.4-132.8 169.4 -9.5 -5.1 11.3 94 96 A H E + I 0 115B 3 21,-1.2 21,-2.1 -2,-0.3 2,-0.3 -0.991 30.9 168.1-135.3 130.3 -6.7 -7.3 12.6 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.7 -0.917 23.5-122.7-142.9 170.0 -6.8 -11.0 11.6 96 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.8 3,-0.1 -0.391 27.9-111.9-107.3-174.7 -4.7 -14.1 11.5 97 99 A S S S+ 0 0 38 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.558 107.1 32.4 -89.4 -11.4 -3.4 -16.7 9.1 98 100 A L S > S- 0 0 100 3,-0.2 3,-1.6 15,-0.1 -2,-0.2 -0.947 88.9-111.0-141.1 158.3 -5.7 -19.2 10.7 99 101 A D T 3 S+ 0 0 65 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.766 110.8 68.0 -61.7 -28.0 -9.2 -19.0 12.3 100 102 A G T 3 S+ 0 0 60 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.441 107.3 31.2 -74.4 -0.8 -7.7 -19.7 15.8 101 103 A Q < + 0 0 57 -3,-1.6 -5,-0.8 12,-0.2 -3,-0.2 -0.967 66.7 95.7-149.9 163.8 -5.8 -16.4 15.9 102 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 -0.014 53.4 105.5 145.7 -38.6 -6.2 -12.9 14.8 103 105 A S - 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