==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 06-JUL-06 2HL4 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DI FIORE,C.T.SUPURAN,J.-Y.WINUM,J.-L.MONTERO,C.PEDONE,A.SC . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11856.0 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 . 58 22.6 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 . 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 0 180 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 73.3 13.2 -1.0 7.4 2 4 A H - 0 0 115 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.445 360.0 -94.7 -79.1 151.1 9.6 0.1 8.2 3 5 A W + 0 0 37 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.282 62.1 135.9 -64.3 152.6 7.7 -1.4 11.1 4 6 A G - 0 0 6 5,-2.7 10,-0.1 2,-0.1 -1,-0.1 -0.745 63.9 -78.7-163.9-147.9 5.4 -4.4 10.4 5 7 A Y S S+ 0 0 37 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.071 83.5 110.1-125.3 22.7 4.4 -7.8 11.6 6 8 A G S > S- 0 0 38 4,-0.1 4,-1.7 1,-0.1 3,-0.4 -0.275 84.1 -93.1 -91.9-179.2 7.4 -9.9 10.4 7 9 A K T 4 S+ 0 0 180 1,-0.2 5,-0.1 2,-0.2 -1,-0.1 0.855 124.1 32.5 -61.3 -38.4 10.2 -11.6 12.2 8 10 A H T 4 S+ 0 0 134 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.441 132.5 28.5-102.9 1.0 12.6 -8.7 11.9 9 11 A N T 4 S+ 0 0 43 -3,-0.4 -5,-2.7 -6,-0.1 -2,-0.2 0.265 94.2 116.8-140.5 8.7 10.1 -5.8 12.1 10 12 A G S >X S- 0 0 3 -4,-1.7 3,-2.7 -5,-0.2 4,-0.9 0.104 84.3 -66.8 -72.7-174.4 7.3 -7.2 14.2 11 13 A P T 34 S+ 0 0 28 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.741 128.3 59.0 -43.8 -37.2 5.8 -6.2 17.6 12 14 A E T 34 S+ 0 0 144 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.598 108.9 46.3 -75.0 -8.3 8.9 -7.2 19.5 13 15 A H T X4 S+ 0 0 59 -3,-2.7 3,-1.8 1,-0.1 4,-0.5 0.629 87.2 87.7-103.7 -20.6 11.0 -4.7 17.5 14 16 A W G >X S+ 0 0 5 -4,-0.9 4,-2.6 1,-0.3 3,-0.7 0.779 73.2 70.6 -52.0 -35.5 8.6 -1.7 17.7 15 17 A H G 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.747 87.6 66.9 -58.0 -24.6 10.0 -0.4 21.0 16 18 A K G <4 S+ 0 0 124 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.928 116.8 22.7 -65.4 -44.7 13.3 0.7 19.3 17 19 A D T <4 S+ 0 0 122 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.712 136.1 39.1 -91.4 -22.7 11.6 3.3 17.1 18 20 A F >< - 0 0 56 -4,-2.6 3,-2.5 1,-0.1 -1,-0.2 -0.731 65.1-178.7-130.4 81.6 8.7 3.8 19.5 19 21 A P G > S+ 0 0 98 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.739 77.1 74.7 -50.2 -29.5 9.9 3.6 23.1 20 22 A I G > S+ 0 0 54 1,-0.3 3,-2.5 179,-0.2 5,-0.2 0.609 70.9 89.1 -63.4 -9.9 6.3 4.0 24.4 21 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.748 91.4 44.5 -58.8 -24.0 5.8 0.4 23.2 22 24 A K G < S+ 0 0 146 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.010 96.4 132.8-107.7 25.1 6.9 -0.5 26.8 23 25 A G S < S- 0 0 16 -3,-2.5 3,-0.5 1,-0.1 -3,-0.0 0.122 70.8-101.5 -69.0-175.7 4.7 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 0.544 113.4 33.5 -87.6 -10.8 2.3 2.1 31.3 25 27 A R S S+ 0 0 45 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.282 79.4 154.7-143.0 57.0 -0.9 1.9 29.3 26 28 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.503 33.3 -99.8 -86.3 152.5 -0.3 -0.1 26.2 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.894 78.6 40.0-126.6 157.8 -2.9 -2.1 24.2 28 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.570 66.2 177.2 -79.6-178.1 -4.1 -4.6 23.5 29 31 A V - 0 0 0 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.928 36.1 -98.5-141.6 163.9 -4.5 -6.5 26.8 30 32 A D E -a 106 0A 27 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.722 34.1-139.3 -84.2 135.7 -5.9 -9.8 28.0 31 33 A I E -a 107 0A 0 75,-3.1 77,-2.1 -2,-0.4 2,-1.1 -0.853 10.5-159.6 -99.8 103.3 -9.4 -9.3 29.5 32 34 A D >> - 0 0 66 -2,-0.9 4,-1.7 75,-0.2 3,-0.8 -0.747 5.6-159.5 -83.2 103.7 -9.6 -11.5 32.6 33 35 A T T 34 S+ 0 0 42 -2,-1.1 -1,-0.2 1,-0.2 222,-0.0 0.782 86.6 52.0 -56.6 -32.5 -13.4 -11.7 32.9 34 36 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.770 111.3 46.2 -78.6 -24.1 -13.3 -12.6 36.6 35 37 A T T <4 S+ 0 0 109 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.717 91.1 97.7 -87.9 -23.7 -11.0 -9.7 37.6 36 38 A A < - 0 0 17 -4,-1.7 2,-0.4 218,-0.1 218,-0.2 -0.394 68.0-144.6 -64.2 142.6 -13.1 -7.2 35.6 37 39 A K E -c 254 0B 140 216,-1.7 218,-2.6 -2,-0.1 2,-0.1 -0.931 13.9-113.5-119.2 136.8 -15.5 -5.3 37.8 38 40 A Y E -c 255 0B 127 -2,-0.4 218,-0.2 216,-0.2 151,-0.0 -0.415 31.4-151.8 -62.3 132.8 -19.0 -4.0 37.1 39 41 A D > - 0 0 32 216,-2.5 3,-1.2 1,-0.1 -1,-0.1 -0.921 16.1-171.6-115.4 110.0 -18.9 -0.2 37.2 40 42 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.675 83.3 69.1 -71.3 -17.2 -22.2 1.5 38.2 41 43 A S T 3 S+ 0 0 81 2,-0.1 2,-0.2 40,-0.0 -2,-0.0 0.636 76.1 104.6 -76.3 -13.6 -20.7 5.0 37.3 42 44 A L < - 0 0 28 -3,-1.2 3,-0.1 213,-0.2 213,-0.0 -0.509 65.2-145.0 -70.5 131.8 -20.8 4.0 33.6 43 45 A K E -D 80 0B 147 37,-1.8 37,-0.7 -2,-0.2 39,-0.1 -0.510 39.3 -70.0 -91.6 164.1 -23.6 5.7 31.7 44 46 A P E - 0 0 115 0, 0.0 36,-0.7 0, 0.0 2,-0.3 -0.267 53.8-118.4 -55.1 137.5 -25.4 4.0 28.9 45 47 A L E -D 79 0B 24 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.606 26.8-157.3 -78.4 138.4 -23.3 3.5 25.8 46 48 A S E -D 78 0B 33 32,-3.2 32,-2.1 -2,-0.3 2,-0.7 -0.952 13.6-178.3-124.3 113.8 -24.6 5.4 22.7 47 49 A V E +D 77 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.923 6.5 179.1-110.6 105.5 -23.6 4.3 19.2 48 50 A S E +D 76 0B 39 28,-2.7 28,-2.1 -2,-0.7 3,-0.2 -0.804 21.7 144.6-113.0 91.6 -25.2 6.7 16.7 49 51 A Y > + 0 0 3 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.222 34.4 110.9-108.6 11.2 -24.1 5.7 13.2 50 52 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.811 87.0 37.2 -57.3 -33.4 -27.4 6.5 11.3 51 53 A Q T 3 S+ 0 0 116 23,-0.3 24,-0.3 -3,-0.2 -1,-0.3 0.189 84.8 145.0-104.8 16.5 -25.8 9.4 9.5 52 54 A A < - 0 0 21 -3,-1.7 2,-0.5 22,-0.3 18,-0.1 -0.264 33.6-159.1 -57.0 138.2 -22.4 7.8 8.9 53 55 A T - 0 0 45 16,-0.3 16,-2.8 122,-0.1 2,-0.1 -0.882 3.3-163.8-126.4 99.0 -20.9 8.8 5.6 54 56 A S E +E 68 0B 0 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.466 11.9 173.8 -77.7 153.7 -18.2 6.4 4.3 55 57 A L E - 0 0 76 12,-2.9 118,-2.2 1,-0.4 2,-0.3 0.673 52.5 -4.8-127.6 -43.6 -15.9 7.7 1.6 56 58 A R E -EF 67 172B 84 11,-0.8 11,-3.1 116,-0.3 -1,-0.4 -0.979 48.1-135.0-155.4 161.3 -13.1 5.4 0.7 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.1 -2,-0.3 2,-0.4 -0.987 26.9-168.5-123.9 133.3 -11.3 2.2 1.6 58 60 A L E -EF 65 170B 33 7,-2.4 7,-2.6 -2,-0.4 2,-0.9 -0.976 24.5-146.9-131.3 135.3 -7.5 2.0 1.7 59 61 A N E -E 64 0B 0 110,-2.8 109,-2.8 -2,-0.4 5,-0.2 -0.871 21.6-179.9 -93.6 108.9 -4.9 -0.7 2.0 60 62 A N - 0 0 51 3,-1.9 4,-0.1 -2,-0.9 -1,-0.1 0.313 52.9 -99.8 -95.0 9.6 -2.2 1.0 4.0 61 63 A G S S+ 0 0 6 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.409 118.0 53.5 90.8 -3.6 0.2 -1.9 4.1 62 64 A H S S- 0 0 31 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.504 125.5 -32.0-132.5 -24.2 -0.8 -3.1 7.6 63 65 A A S S- 0 0 6 -5,-0.1 -3,-1.9 164,-0.1 -1,-0.6 -0.876 72.4 -86.8-173.0-167.4 -4.6 -3.4 7.3 64 66 A F E -E 59 0B 0 -2,-0.3 2,-0.5 29,-0.2 29,-0.4 -0.994 31.8-148.9-127.6 134.6 -7.3 -1.7 5.3 65 67 A N E -E 58 0B 24 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.8 -0.891 5.7-154.4-105.1 127.7 -9.2 1.4 6.5 66 68 A V E -EG 57 91B 0 25,-2.9 25,-1.7 -2,-0.5 2,-0.3 -0.907 30.7-151.5 -96.8 111.1 -12.8 2.2 5.7 67 69 A E E -EG 56 90B 45 -11,-3.1 -12,-2.9 -2,-0.8 -11,-0.8 -0.616 11.3-158.8 -91.7 147.1 -12.7 6.0 6.0 68 70 A F E -E 54 0B 9 21,-2.5 2,-0.9 -14,-0.3 -14,-0.2 -0.860 29.5-105.8-123.1 155.9 -15.6 8.3 7.0 69 71 A D + 0 0 44 -16,-2.8 3,-0.3 -2,-0.3 -16,-0.3 -0.723 40.2 172.8 -79.4 107.2 -16.3 12.0 6.5 70 72 A D + 0 0 42 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.056 45.8 106.9-107.9 30.4 -15.7 13.3 10.0 71 73 A S S S+ 0 0 83 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.543 86.4 32.4 -83.2 -7.5 -16.0 17.0 9.1 72 74 A Q S S- 0 0 119 -3,-0.3 2,-1.7 3,-0.0 3,-0.2 -0.930 98.4 -91.6-142.1 163.5 -19.4 17.0 10.9 73 75 A D S S+ 0 0 86 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.604 77.5 121.3 -80.3 85.7 -21.0 15.3 13.8 74 76 A K + 0 0 47 -2,-1.7 2,-0.9 1,-0.3 -23,-0.3 0.702 68.5 30.4-107.3 -86.0 -22.6 12.4 12.0 75 77 A A S S+ 0 0 4 -24,-0.3 13,-3.0 -3,-0.2 2,-0.3 -0.691 83.4 167.7 -81.1 108.1 -21.4 9.0 13.3 76 78 A V E -DH 48 87B 18 -28,-2.1 -28,-2.7 -2,-0.9 2,-0.4 -0.895 31.0-151.9-128.3 155.7 -20.7 9.5 16.9 77 79 A L E +DH 47 86B 0 9,-2.9 9,-2.3 -2,-0.3 2,-0.3 -0.979 31.2 148.2-121.7 132.2 -19.9 7.5 20.1 78 80 A K E +D 46 0B 99 -32,-2.1 -32,-3.2 -2,-0.4 7,-0.1 -0.912 32.8 44.1-151.7 176.5 -20.8 8.8 23.5 79 81 A G E > S+D 45 0B 19 5,-0.5 3,-2.1 3,-0.3 -34,-0.3 -0.303 73.7 78.0 77.7-165.8 -21.9 7.6 26.9 80 82 A G E 3 S-D 43 0B 6 -36,-0.7 -37,-1.8 -37,-0.7 -1,-0.1 -0.440 123.2 -21.4 63.2-132.8 -20.4 4.6 28.7 81 83 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.483 115.3 112.4 -86.1 -2.8 -17.0 5.7 30.2 82 84 A L < - 0 0 18 -3,-2.1 2,-0.6 -39,-0.1 -3,-0.3 -0.484 53.9-157.5 -81.3 140.9 -16.8 8.6 27.8 83 85 A D - 0 0 112 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.960 68.3 -8.5-113.9 109.2 -17.1 12.2 28.6 84 86 A G S S- 0 0 38 -2,-0.6 -5,-0.5 39,-0.1 2,-0.4 -0.619 100.8 -42.0 105.0-163.6 -18.2 14.2 25.6 85 87 A T - 0 0 40 -2,-0.2 38,-2.7 -7,-0.1 2,-0.5 -0.914 42.7-162.2-113.7 132.8 -18.7 13.3 21.9 86 88 A Y E -HI 77 122B 3 -9,-2.3 -9,-2.9 -2,-0.4 2,-0.4 -0.956 13.7-143.9-115.6 127.3 -16.3 11.1 19.9 87 89 A R E -HI 76 121B 31 34,-2.8 34,-2.0 -2,-0.5 2,-0.3 -0.751 16.5-119.1 -97.1 133.3 -16.5 11.2 16.1 88 90 A L E + I 0 120B 2 -13,-3.0 32,-0.3 -2,-0.4 -13,-0.2 -0.496 36.7 165.5 -69.1 126.5 -16.0 8.1 13.9 89 91 A I E - 0 0 39 30,-2.9 -21,-2.5 1,-0.4 2,-0.3 0.704 60.8 -29.6-111.7 -32.7 -13.1 8.6 11.5 90 92 A Q E -GI 67 119B 33 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.978 47.4-141.1-174.0 164.8 -12.5 5.0 10.2 91 93 A F E +GI 66 118B 0 -25,-1.7 -25,-2.9 -2,-0.3 2,-0.3 -0.968 22.8 162.8-137.6 154.4 -12.7 1.4 11.0 92 94 A H E - I 0 117B 25 25,-1.7 25,-3.2 -2,-0.3 2,-0.3 -0.921 23.8-123.0-155.7 177.9 -10.3 -1.5 10.2 93 95 A F E - I 0 116B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.2 -0.837 1.0-149.5-130.2 167.1 -9.6 -5.1 11.3 94 96 A H E + I 0 115B 2 21,-1.6 21,-2.3 -2,-0.3 2,-0.3 -0.984 32.0 167.1-131.8 135.1 -6.8 -7.3 12.6 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.8 -0.953 24.7-119.0-149.0 168.9 -6.9 -10.9 11.7 96 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.7 3,-0.1 -0.420 24.5-118.0-106.6-179.1 -4.9 -14.1 11.6 97 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.586 105.7 32.2 -88.6 -13.2 -3.5 -16.6 9.1 98 100 A L S > S- 0 0 110 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.950 89.1-112.0-139.6 154.9 -5.7 -19.3 10.8 99 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.781 109.5 70.8 -60.2 -26.9 -9.1 -19.1 12.6 100 102 A G T 3 S+ 0 0 60 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.468 107.2 25.3 -71.9 -1.7 -7.4 -19.8 15.9 101 103 A Q < + 0 0 56 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.3 -0.969 65.9 100.1-153.7 164.9 -5.8 -16.4 16.1 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.030 53.9 104.5 145.7 -34.6 -6.2 -12.9 14.9 103 105 A S - 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