==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 28-JUL-09 3IGP . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.GITTO,S.AGNELLO,J.BRYNDA,P.MADER,C.T.SUPURAN,A.CHIMIRRI . 259 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11783.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.6 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 . 27 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.5 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 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 2 A S > 0 0 69 0, 0.0 3,-0.6 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0-125.4 10.2 5.1 11.0 2 3 A H T 3 + 0 0 110 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.804 360.0 38.7 -54.8 -40.2 9.8 3.5 7.6 3 4 A H T 3 + 0 0 71 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.020 60.4 132.3-128.3 25.2 9.6 -0.2 8.3 4 5 A W < + 0 0 47 -3,-0.6 2,-0.2 1,-0.1 7,-0.2 -0.420 33.4 133.6 -66.8 151.0 7.7 -1.5 11.3 5 6 A G - 0 0 6 5,-2.8 10,-0.1 2,-0.1 -1,-0.1 -0.746 64.9 -81.2-162.1-143.1 5.4 -4.4 10.5 6 7 A Y S S+ 0 0 31 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.184 80.4 112.3-129.5 11.8 4.3 -7.8 11.6 7 8 A G S > S- 0 0 40 1,-0.1 4,-0.8 4,-0.1 3,-0.2 -0.157 84.8 -94.2 -76.5-178.5 7.0 -10.0 10.1 8 9 A K T 4 S+ 0 0 75 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.772 123.9 38.1 -66.9 -25.4 9.6 -12.0 12.0 9 10 A H T 4 S+ 0 0 166 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.558 127.6 28.2-108.8 -11.0 12.1 -9.2 11.7 10 11 A N T 4 S+ 0 0 58 -3,-0.2 -5,-2.8 -6,-0.0 -2,-0.2 0.148 94.0 123.2-134.8 21.6 10.0 -6.0 12.1 11 12 A G S >X S- 0 0 0 -4,-0.8 3,-3.0 -5,-0.2 4,-0.8 0.100 81.0 -69.1 -82.6-175.1 7.2 -7.3 14.3 12 13 A P G >4 S+ 0 0 25 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.787 127.5 61.0 -46.9 -35.5 5.7 -6.3 17.7 13 14 A E G 34 S+ 0 0 117 1,-0.2 3,-0.0 2,-0.1 -5,-0.0 0.620 108.5 45.3 -70.1 -12.1 8.8 -7.5 19.6 14 15 A H G X4 S+ 0 0 49 -3,-3.0 3,-1.5 1,-0.1 4,-0.4 0.578 86.8 88.0-102.3 -15.6 10.9 -4.9 17.6 15 16 A W G XX S+ 0 0 6 -4,-0.8 4,-2.2 -3,-0.7 3,-1.6 0.799 74.4 69.6 -60.8 -31.0 8.7 -1.9 17.9 16 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.765 86.4 68.5 -60.5 -26.3 10.2 -0.6 21.2 17 18 A K G <4 S+ 0 0 129 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.767 118.0 21.2 -67.2 -26.5 13.5 0.2 19.5 18 19 A D T <4 S+ 0 0 114 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.2 0.595 135.4 38.0-109.5 -19.8 11.8 3.1 17.6 19 20 A F >< - 0 0 43 -4,-2.2 3,-2.5 1,-0.1 -1,-0.2 -0.784 65.4-177.8-134.0 77.2 8.7 3.6 19.8 20 21 A P G > S+ 0 0 102 0, 0.0 3,-2.1 0, 0.0 -4,-0.1 0.732 76.2 77.1 -53.1 -24.7 10.0 3.2 23.4 21 22 A I G > S+ 0 0 55 1,-0.3 3,-2.4 179,-0.2 5,-0.2 0.662 70.3 88.8 -63.5 -12.4 6.4 3.8 24.7 22 23 A A G < S+ 0 0 5 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.782 91.5 43.3 -49.7 -31.2 5.9 0.2 23.5 23 24 A K G < S+ 0 0 139 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 -0.010 97.3 127.9-104.2 25.2 7.0 -0.8 27.0 24 25 A G S < S- 0 0 15 -3,-2.4 3,-0.5 1,-0.1 -3,-0.1 0.076 72.7 -98.0 -81.0-170.4 4.9 1.9 28.7 25 26 A E S S+ 0 0 121 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.576 112.3 34.7 -91.9 -10.7 2.3 1.8 31.5 26 27 A R S S+ 0 0 48 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.277 78.9 155.7-142.4 56.1 -0.9 1.7 29.5 27 28 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.490 32.2-101.6 -87.9 151.0 -0.3 -0.3 26.3 28 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.898 78.5 39.7-125.3 155.3 -2.8 -2.2 24.3 29 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.579 66.9 176.5 -78.2 179.6 -4.1 -4.8 23.6 30 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.914 36.1 -98.7-134.5 163.3 -4.4 -6.7 26.9 31 32 A D E -a 107 0A 26 216,-0.5 2,-0.8 -2,-0.3 77,-0.2 -0.720 33.5-139.1 -77.2 135.0 -5.9 -10.0 28.0 32 33 A I E -a 108 0A 0 75,-3.0 77,-2.6 -2,-0.4 2,-0.9 -0.869 10.1-157.1 -99.1 106.6 -9.3 -9.5 29.5 33 34 A D >> - 0 0 69 -2,-0.8 4,-1.9 75,-0.2 3,-0.5 -0.781 5.0-161.6 -85.9 105.8 -9.6 -11.7 32.5 34 35 A T T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.743 86.0 51.9 -67.0 -28.2 -13.3 -12.1 32.8 35 36 A H T 34 S+ 0 0 169 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.814 114.2 43.3 -79.6 -26.4 -13.3 -13.3 36.4 36 37 A T T <4 S+ 0 0 114 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.2 0.689 87.8 100.5 -92.2 -21.0 -11.2 -10.3 37.5 37 38 A A < - 0 0 18 -4,-1.9 2,-0.5 218,-0.1 218,-0.2 -0.435 69.0-140.0 -63.7 138.2 -13.0 -7.5 35.5 38 39 A K E -c 255 0B 140 216,-1.7 218,-2.4 -2,-0.1 2,-0.1 -0.877 10.9-116.1-112.0 132.9 -15.4 -5.7 37.9 39 40 A Y E -c 256 0B 111 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.416 30.7-152.9 -57.6 134.9 -18.9 -4.5 37.2 40 41 A D > - 0 0 31 216,-2.6 3,-1.2 1,-0.1 -1,-0.1 -0.928 16.2-170.1-119.7 108.2 -18.9 -0.7 37.4 41 42 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.681 83.8 69.4 -68.7 -16.0 -22.2 1.0 38.4 42 43 A S T 3 S+ 0 0 79 2,-0.1 2,-0.3 40,-0.0 215,-0.1 0.615 73.8 105.3 -78.4 -14.1 -20.7 4.4 37.5 43 44 A L < - 0 0 28 -3,-1.2 3,-0.1 213,-0.2 38,-0.0 -0.527 66.0-142.8 -67.7 128.9 -20.6 3.6 33.8 44 45 A K - 0 0 142 37,-1.9 37,-0.4 -2,-0.3 39,-0.1 -0.461 38.4 -72.8 -85.2 164.7 -23.4 5.4 31.9 45 46 A P - 0 0 113 0, 0.0 36,-0.9 0, 0.0 2,-0.3 -0.306 52.2-115.1 -60.7 143.4 -25.3 3.7 29.1 46 47 A L E -D 80 0B 26 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.595 26.8-158.8 -80.9 139.7 -23.3 3.4 25.8 47 48 A S E -D 79 0B 48 32,-3.2 32,-2.4 -2,-0.3 2,-0.6 -0.943 12.6-179.2-128.7 109.0 -24.5 5.4 22.8 48 49 A V E -D 78 0B 32 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.939 6.2-179.8-107.1 111.4 -23.6 4.4 19.3 49 50 A S E +D 77 0B 47 28,-2.8 28,-2.0 -2,-0.6 3,-0.2 -0.816 22.5 143.9-118.2 86.5 -25.2 6.9 16.9 50 51 A Y > + 0 0 3 -2,-0.7 3,-1.8 26,-0.2 130,-0.2 0.236 31.8 111.7-107.6 13.5 -24.2 5.9 13.3 51 52 A D T 3 S+ 0 0 97 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.802 87.6 37.9 -61.3 -29.3 -27.5 6.7 11.4 52 53 A Q T 3 S+ 0 0 121 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.209 82.5 145.6-106.9 16.1 -25.8 9.6 9.5 53 54 A A < - 0 0 22 -3,-1.8 2,-0.6 22,-0.1 18,-0.1 -0.259 34.8-156.4 -55.6 134.7 -22.4 7.9 9.0 54 55 A T - 0 0 48 16,-0.3 16,-2.8 122,-0.1 2,-0.1 -0.892 5.8-161.5-119.2 98.3 -20.9 8.9 5.7 55 56 A S E +E 69 0B 2 -2,-0.6 121,-0.6 122,-0.3 14,-0.3 -0.445 14.1 172.4 -76.0 152.5 -18.3 6.5 4.4 56 57 A L E - 0 0 80 12,-3.1 118,-2.3 1,-0.4 2,-0.3 0.707 49.7 -6.5-124.4 -49.9 -15.9 7.7 1.8 57 58 A R E -EF 68 173B 86 11,-0.9 11,-2.9 116,-0.3 2,-0.4 -0.972 45.9-134.7-157.4 153.6 -13.1 5.3 0.8 58 59 A I E -EF 67 172B 0 114,-2.6 114,-2.2 -2,-0.3 2,-0.4 -0.986 28.1-168.7-122.1 134.4 -11.4 2.1 1.6 59 60 A L E -EF 66 171B 32 7,-2.2 7,-2.6 -2,-0.4 2,-0.8 -0.986 24.4-147.8-131.1 130.4 -7.6 2.0 1.7 60 61 A N E +E 65 0B 0 110,-2.9 109,-3.3 -2,-0.4 110,-0.2 -0.888 22.0 178.6 -90.3 108.8 -5.0 -0.7 1.8 61 62 A N - 0 0 51 3,-1.7 4,-0.1 -2,-0.8 -1,-0.1 0.217 53.2-101.6 -97.5 12.6 -2.3 1.0 3.9 62 63 A G S S+ 0 0 6 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.440 117.5 56.1 84.6 -4.0 0.1 -1.9 4.0 63 64 A H S S- 0 0 41 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.546 123.8 -32.4-124.8 -36.9 -0.9 -2.9 7.5 64 65 A A S S- 0 0 7 -5,-0.1 -3,-1.7 165,-0.1 -1,-0.6 -0.848 70.6 -87.5-158.8-168.8 -4.6 -3.4 7.3 65 66 A F E -E 60 0B 0 29,-0.3 29,-0.5 -2,-0.2 2,-0.5 -0.993 36.2-153.2-116.3 139.4 -7.5 -1.9 5.3 66 67 A N E -E 59 0B 20 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.7 -0.926 9.3-153.8-112.9 129.0 -9.2 1.3 6.5 67 68 A V E -EG 58 92B 0 25,-2.9 25,-2.0 -2,-0.5 2,-0.3 -0.916 28.6-152.3 -96.3 117.2 -12.8 2.2 5.8 68 69 A E E -EG 57 91B 46 -11,-2.9 -12,-3.1 -2,-0.7 -11,-0.9 -0.674 10.1-159.8-100.0 146.1 -12.7 6.0 6.1 69 70 A F E -E 55 0B 8 21,-2.3 2,-0.8 -2,-0.3 -14,-0.2 -0.830 30.5-103.0-121.1 154.3 -15.6 8.3 7.1 70 71 A D + 0 0 36 -16,-2.8 -16,-0.3 -2,-0.3 5,-0.3 -0.734 40.1 172.6 -74.3 111.7 -16.3 12.0 6.7 71 72 A D + 0 0 42 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.131 44.3 110.5-114.5 31.3 -15.6 13.3 10.2 72 73 A S S S+ 0 0 82 1,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.455 88.6 18.1 -85.0 -6.2 -16.0 17.0 9.3 73 74 A Q S S- 0 0 117 -3,-0.2 2,-2.2 3,-0.1 3,-0.4 -0.942 100.6 -83.0-150.5 170.1 -19.2 17.1 11.3 74 75 A D S S+ 0 0 88 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.411 74.9 133.1 -76.4 67.7 -20.9 15.0 14.1 75 76 A K S S+ 0 0 51 -2,-2.2 -23,-0.9 1,-0.3 2,-0.4 0.810 74.5 19.3 -89.3 -37.0 -22.4 12.5 11.7 76 77 A A S S+ 0 0 4 -3,-0.4 13,-2.6 13,-0.2 -1,-0.3 -0.975 82.6 168.1-136.7 119.6 -21.5 9.3 13.4 77 78 A V E -DH 49 88B 17 -28,-2.0 -28,-2.8 -2,-0.4 2,-0.4 -0.952 29.9-145.4-138.7 158.5 -20.6 9.5 17.1 78 79 A L E +DH 48 87B 0 9,-2.7 9,-2.3 -2,-0.3 2,-0.3 -0.971 31.4 157.4-120.2 131.3 -19.9 7.4 20.2 79 80 A K E +D 47 0B 93 -32,-2.4 -32,-3.2 -2,-0.4 7,-0.1 -0.908 34.3 33.4-144.4 171.5 -20.9 8.8 23.6 80 81 A G E > S+D 46 0B 20 5,-0.4 3,-2.3 3,-0.4 -34,-0.3 -0.279 72.3 81.7 78.4-161.7 -21.8 7.5 27.1 81 82 A G T 3 S- 0 0 5 -36,-0.9 -37,-1.9 -37,-0.4 -1,-0.1 -0.468 121.7 -20.5 63.5-126.6 -20.3 4.5 28.8 82 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.550 115.6 111.1 -84.0 -7.6 -16.9 5.5 30.3 83 84 A L < - 0 0 13 -3,-2.3 2,-0.5 -39,-0.1 -3,-0.4 -0.430 54.9-154.0 -85.0 139.9 -16.7 8.5 27.9 84 85 A D - 0 0 129 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.935 67.8 -13.2-102.4 122.9 -16.9 12.2 28.7 85 86 A G S S- 0 0 46 -2,-0.5 2,-0.5 38,-0.1 -5,-0.4 -0.452 100.8 -34.6 88.6-157.0 -18.2 14.1 25.8 86 87 A T - 0 0 29 -2,-0.1 38,-2.6 -7,-0.1 2,-0.5 -0.918 42.8-164.0-118.7 126.9 -18.5 13.3 22.1 87 88 A Y E -HI 78 123B 3 -9,-2.3 -9,-2.7 -2,-0.5 2,-0.4 -0.935 14.8-143.7-114.7 124.7 -16.3 11.0 20.1 88 89 A R E -HI 77 122B 37 34,-3.1 34,-2.1 -2,-0.5 2,-0.3 -0.702 16.4-120.3 -94.1 130.6 -16.5 11.2 16.3 89 90 A L E + I 0 121B 2 -13,-2.6 32,-0.2 -2,-0.4 -13,-0.2 -0.495 37.9 163.8 -66.7 124.6 -16.1 8.1 14.0 90 91 A I E - 0 0 33 30,-2.6 -21,-2.3 1,-0.4 2,-0.3 0.681 58.7 -26.5-109.8 -33.5 -13.2 8.5 11.6 91 92 A Q E -GI 68 120B 34 29,-1.2 29,-2.8 -23,-0.2 -1,-0.4 -0.976 46.4-140.7-170.5 160.7 -12.5 5.0 10.3 92 93 A F E +GI 67 119B 0 -25,-2.0 -25,-2.9 -2,-0.3 2,-0.3 -0.973 23.8 160.5-130.4 157.7 -12.7 1.3 11.0 93 94 A H E - I 0 118B 27 25,-1.7 25,-3.3 -2,-0.3 2,-0.3 -0.926 23.6-126.0-155.6 177.7 -10.3 -1.5 10.3 94 95 A F E - I 0 117B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.873 1.1-148.6-127.3 163.9 -9.6 -5.1 11.3 95 96 A H E + I 0 116B 3 21,-1.9 21,-2.2 -2,-0.3 2,-0.3 -0.979 31.9 167.3-124.2 139.5 -6.8 -7.3 12.6 96 97 A W E - I 0 115B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.8 -0.946 23.8-118.9-152.3 171.6 -6.9 -10.9 11.6 97 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.432 23.9-119.1-110.6 176.2 -4.9 -14.1 11.5 98 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.597 104.9 31.3 -83.9 -18.4 -3.6 -16.7 9.1 99 100 A L S > S- 0 0 106 3,-0.3 3,-1.7 15,-0.1 -2,-0.2 -0.949 90.0-110.1-138.4 156.6 -5.7 -19.3 10.8 100 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.750 110.6 68.2 -65.0 -23.2 -9.1 -19.1 12.6 101 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.395 107.0 30.5 -79.5 6.0 -7.5 -19.7 16.0 102 103 A Q < + 0 0 54 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.3 -0.979 65.6 96.0-154.3 163.1 -5.7 -16.4 16.1 103 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.028 55.6 105.9 145.1 -31.5 -6.0 -12.8 14.8 104 105 A S - 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