==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-MAY-07 2Q1Q . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 SYNTHETIC: YES; . AUTHOR C.TEMPERINI,A.INNOCENTI,A.MASTROLORENZO,A.SCOZZAFAVA, . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11909.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 62.3 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 21.8 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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.2 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 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 . 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 4 A H 0 0 193 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.6 10.0 0.3 8.7 2 5 A W + 0 0 48 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.188 360.0 136.0 -64.7 144.5 7.6 -1.3 11.2 3 6 A G - 0 0 12 5,-2.7 10,-0.1 2,-0.2 -1,-0.1 -0.642 62.4 -88.5-153.9-146.7 5.5 -4.4 10.3 4 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.210 83.0 107.4-127.7 10.3 4.4 -7.7 11.6 5 8 A G S > S- 0 0 27 4,-0.1 4,-1.3 1,-0.1 3,-0.4 -0.224 86.6 -93.5 -84.0 177.6 7.3 -9.9 10.4 6 9 A K T 4 S+ 0 0 188 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.818 123.2 40.3 -58.8 -34.3 10.1 -11.5 12.4 7 10 A H T 4 S+ 0 0 164 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.596 130.2 22.0 -99.3 -10.7 12.5 -8.5 11.7 8 11 A N T 4 S+ 0 0 59 -3,-0.4 -5,-2.7 -6,-0.0 -2,-0.2 0.201 97.4 113.9-138.2 15.2 10.1 -5.5 12.1 9 12 A G S >X S- 0 0 3 -4,-1.3 3,-3.1 -7,-0.2 4,-0.9 0.004 85.6 -60.9 -87.3-172.2 7.3 -6.8 14.2 10 13 A P T 34 S+ 0 0 33 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.694 129.5 58.3 -41.5 -35.8 5.9 -6.1 17.8 11 14 A E T 34 S+ 0 0 161 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.701 111.0 43.3 -70.0 -19.4 9.2 -7.2 19.4 12 15 A H T X4 S+ 0 0 57 -3,-3.1 3,-1.9 1,-0.1 4,-0.5 0.684 88.4 87.2 -96.7 -22.5 11.1 -4.5 17.5 13 16 A W G >X S+ 0 0 5 -4,-0.9 4,-2.7 1,-0.3 3,-0.7 0.762 75.3 69.8 -54.5 -33.3 8.7 -1.6 17.8 14 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.746 88.4 64.9 -59.3 -27.0 10.2 -0.3 21.1 15 18 A K G <4 S+ 0 0 134 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.903 117.4 24.6 -67.5 -41.2 13.4 0.8 19.4 16 19 A D T <4 S+ 0 0 120 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.756 134.9 37.6 -88.8 -28.9 11.7 3.5 17.3 17 20 A F >< - 0 0 50 -4,-2.7 3,-2.5 1,-0.1 -1,-0.2 -0.785 66.1-176.2-127.2 83.0 8.7 3.9 19.6 18 21 A P G > S+ 0 0 102 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.747 78.1 75.2 -51.0 -29.2 10.0 3.7 23.3 19 22 A I G > + 0 0 55 1,-0.3 3,-2.6 179,-0.2 5,-0.2 0.619 69.6 89.5 -60.9 -12.8 6.3 4.0 24.5 20 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.761 93.2 42.8 -51.7 -27.7 5.9 0.4 23.3 21 24 A K G < S+ 0 0 142 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.040 96.3 127.8-106.9 21.9 7.0 -0.5 26.9 22 25 A G S < S- 0 0 17 -3,-2.6 3,-0.5 1,-0.1 -3,-0.0 0.109 73.1 -97.7 -75.0-171.2 4.9 2.2 28.6 23 26 A E S S+ 0 0 122 1,-0.2 -1,-0.1 169,-0.0 -3,-0.1 0.577 113.4 35.8 -89.1 -12.9 2.4 2.0 31.4 24 27 A R S S+ 0 0 47 -5,-0.2 -1,-0.2 168,-0.1 2,-0.2 -0.308 78.7 156.0-137.7 57.3 -0.9 1.9 29.4 25 28 A Q - 0 0 4 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.501 32.3 -99.5 -87.5 153.0 -0.2 -0.2 26.3 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 78,-0.0 -0.890 78.4 38.9-126.3 156.0 -2.8 -2.1 24.2 27 30 A P + 0 0 0 0, 0.0 218,-3.0 0, 0.0 2,-0.3 0.579 66.5 178.7 -80.6 179.1 -4.0 -4.7 23.5 28 31 A V - 0 0 1 216,-0.3 77,-1.4 -2,-0.2 2,-0.4 -0.903 35.1-100.2-132.4 163.4 -4.5 -6.6 26.8 29 32 A D E -a 105 0A 28 216,-0.5 2,-0.9 -2,-0.3 77,-0.2 -0.748 33.9-138.1 -77.1 131.9 -5.9 -9.9 28.0 30 33 A I E -a 106 0A 0 75,-3.2 77,-2.7 -2,-0.4 2,-1.0 -0.845 12.3-160.6 -93.1 103.0 -9.4 -9.4 29.5 31 34 A D >> - 0 0 67 -2,-0.9 4,-1.8 75,-0.2 3,-1.1 -0.781 3.6-161.8 -85.4 103.1 -9.5 -11.5 32.6 32 35 A T T 34 S+ 0 0 41 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.732 87.3 51.2 -62.6 -28.4 -13.3 -11.7 33.0 33 36 A H T 34 S+ 0 0 170 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.676 112.4 46.2 -83.5 -18.4 -13.1 -12.8 36.6 34 37 A T T <4 S+ 0 0 106 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.688 91.8 97.3 -93.3 -23.8 -10.8 -9.9 37.5 35 38 A A < - 0 0 19 -4,-1.8 2,-0.5 218,-0.1 218,-0.2 -0.434 68.6-142.8 -65.2 136.3 -12.9 -7.3 35.6 36 39 A K E -c 253 0B 163 216,-1.7 218,-2.6 -2,-0.1 2,-0.1 -0.898 13.4-117.2-108.2 132.4 -15.3 -5.4 38.0 37 40 A Y E -c 254 0B 80 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.433 30.6-149.8 -58.3 132.0 -18.8 -4.3 37.2 38 41 A D > - 0 0 20 216,-2.5 3,-1.1 -2,-0.1 -1,-0.1 -0.914 18.2-173.4-115.8 108.0 -18.9 -0.5 37.4 39 42 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.724 83.3 66.9 -70.4 -20.7 -22.2 1.2 38.4 40 43 A S T 3 S+ 0 0 89 2,-0.0 2,-0.4 40,-0.0 -2,-0.0 0.577 77.2 107.0 -76.0 -8.4 -20.9 4.7 37.7 41 44 A L < - 0 0 31 -3,-1.1 3,-0.1 213,-0.2 213,-0.0 -0.579 65.5-142.7 -71.9 125.2 -20.8 3.8 33.9 42 45 A K - 0 0 111 37,-1.3 37,-0.4 -2,-0.4 39,-0.1 -0.368 38.3 -74.5 -80.4 164.0 -23.5 5.5 32.0 43 46 A P - 0 0 114 0, 0.0 36,-0.9 0, 0.0 2,-0.4 -0.340 52.6-112.5 -60.4 145.7 -25.3 3.7 29.1 44 47 A L E -D 78 0B 22 34,-0.3 2,-0.6 -3,-0.1 34,-0.2 -0.671 29.2-158.9 -80.7 132.1 -23.2 3.4 25.9 45 48 A S E -D 77 0B 36 32,-3.2 32,-2.5 -2,-0.4 2,-0.6 -0.941 11.9-178.2-118.2 112.6 -24.6 5.4 23.0 46 49 A V E -D 76 0B 32 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.936 5.0-177.5-107.8 110.9 -23.5 4.5 19.4 47 50 A S E +D 75 0B 36 28,-3.1 28,-2.3 -2,-0.6 3,-0.2 -0.818 24.2 142.8-114.9 92.8 -25.1 6.9 17.0 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.3 26,-0.2 130,-0.2 0.194 35.1 107.3-114.9 13.3 -24.2 5.9 13.4 49 52 A D T 3 S+ 0 0 99 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.800 87.1 40.1 -66.2 -30.3 -27.5 6.8 11.6 50 53 A Q T 3 S+ 0 0 125 23,-1.0 -1,-0.3 -3,-0.2 24,-0.2 0.158 85.8 148.8-102.6 18.3 -26.0 9.8 9.8 51 54 A A < - 0 0 21 -3,-1.3 2,-0.5 22,-0.1 18,-0.1 -0.210 32.2-158.7 -60.8 138.9 -22.6 8.2 9.1 52 55 A T - 0 0 50 16,-0.3 16,-3.1 122,-0.1 2,-0.1 -0.830 6.3-168.6-126.3 90.5 -20.8 9.3 5.9 53 56 A S E +E 67 0B 2 -2,-0.5 121,-0.7 122,-0.4 14,-0.3 -0.478 9.9 173.0 -73.7 149.4 -18.2 6.8 4.6 54 57 A L E - 0 0 76 12,-3.1 118,-2.1 1,-0.4 2,-0.3 0.699 50.3 -5.3-121.3 -42.1 -15.9 8.1 1.9 55 58 A R E -EF 66 171B 90 11,-1.1 11,-3.1 116,-0.3 -1,-0.4 -0.983 45.4-133.8-164.0 151.1 -13.1 5.7 1.0 56 59 A I E -EF 65 170B 0 114,-2.6 114,-2.6 -2,-0.3 2,-0.4 -0.982 27.1-171.7-121.9 135.6 -11.3 2.5 1.7 57 60 A L E -EF 64 169B 30 7,-2.1 7,-2.4 -2,-0.4 2,-0.8 -0.992 24.8-143.7-134.0 130.4 -7.5 2.4 1.8 58 61 A N E -E 63 0B 0 110,-2.9 109,-2.9 -2,-0.4 5,-0.2 -0.855 21.6-177.6 -87.4 112.3 -4.9 -0.3 2.0 59 62 A N - 0 0 31 3,-2.1 4,-0.1 -2,-0.8 -1,-0.1 0.235 51.2 -99.8 -99.9 13.2 -2.2 1.3 4.2 60 63 A G S S+ 0 0 12 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.427 117.7 49.2 85.1 -1.9 0.2 -1.6 4.1 61 64 A H S S- 0 0 44 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.515 126.1 -25.3-134.9 -28.1 -0.7 -3.0 7.5 62 65 A A S S- 0 0 4 -5,-0.1 -3,-2.1 165,-0.1 -1,-0.6 -0.832 71.9 -91.6-155.3-164.4 -4.5 -3.2 7.3 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.4 -0.992 31.0-151.1-122.1 136.8 -7.3 -1.4 5.4 64 67 A N E -E 57 0B 23 -7,-2.4 -7,-2.1 -2,-0.4 2,-0.7 -0.905 6.6-153.5-106.1 127.7 -9.1 1.7 6.7 65 68 A V E -EG 56 90B 0 25,-3.0 25,-1.9 -2,-0.5 2,-0.3 -0.921 29.2-152.0 -93.5 115.6 -12.7 2.5 5.8 66 69 A E E -EG 55 89B 49 -11,-3.1 -12,-3.1 -2,-0.7 -11,-1.1 -0.667 11.3-161.7 -98.1 146.3 -12.7 6.3 6.2 67 70 A F E -E 53 0B 8 21,-2.7 2,-0.7 -14,-0.3 -14,-0.3 -0.820 30.7-101.1-122.8 156.9 -15.6 8.6 7.2 68 71 A D + 0 0 44 -16,-3.1 -16,-0.3 -2,-0.3 3,-0.2 -0.744 39.2 174.5 -76.3 114.5 -16.4 12.3 6.9 69 72 A D + 0 0 41 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 0.006 45.6 107.4-113.2 25.3 -15.7 13.6 10.4 70 73 A S S S+ 0 0 78 2,-0.0 2,-0.3 56,-0.0 -1,-0.1 0.500 88.2 23.3 -84.2 -5.7 -16.2 17.4 9.7 71 74 A Q S S- 0 0 115 -3,-0.2 2,-1.9 3,-0.1 3,-0.4 -0.959 99.9 -85.9-148.6 163.0 -19.6 17.3 11.6 72 75 A D S S+ 0 0 82 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.501 75.3 130.1 -71.5 81.8 -21.2 15.2 14.4 73 76 A K S S+ 0 0 34 -2,-1.9 -23,-1.0 1,-0.4 2,-0.4 0.733 74.0 22.0-108.4 -36.2 -22.6 12.5 12.0 74 77 A A S S+ 0 0 8 -3,-0.4 13,-2.4 -24,-0.2 -1,-0.4 -0.951 84.1 169.6-133.6 114.7 -21.5 9.2 13.6 75 78 A V E -DH 47 86B 15 -28,-2.3 -28,-3.1 -2,-0.4 2,-0.5 -0.930 29.3-149.7-132.9 152.9 -20.7 9.6 17.3 76 79 A L E +DH 46 85B 0 9,-2.9 9,-2.0 -2,-0.3 2,-0.3 -0.978 32.2 150.9-117.0 130.5 -19.9 7.5 20.3 77 80 A K E +D 45 0B 93 -32,-2.5 -32,-3.2 -2,-0.5 7,-0.1 -0.907 32.9 39.5-147.8 178.3 -20.8 8.8 23.8 78 81 A G E > S+D 44 0B 17 5,-0.4 3,-1.9 3,-0.4 -34,-0.3 -0.262 74.6 78.1 72.1-163.9 -21.8 7.5 27.3 79 82 A G T 3 S- 0 0 3 -36,-0.9 -37,-1.3 -37,-0.4 -1,-0.1 -0.447 122.9 -20.0 58.5-130.3 -20.2 4.5 29.0 80 83 A P T 3 S+ 0 0 39 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.459 117.0 107.0 -84.7 1.6 -16.8 5.6 30.4 81 84 A L < - 0 0 6 -3,-1.9 2,-0.5 -39,-0.1 -3,-0.4 -0.582 55.2-155.7 -92.6 139.7 -16.7 8.6 28.0 82 85 A D - 0 0 117 -2,-0.3 2,-0.1 -5,-0.1 -3,-0.0 -0.953 68.2 -10.0-105.1 128.7 -17.1 12.3 28.8 83 86 A G S S- 0 0 50 -2,-0.5 -5,-0.4 38,-0.1 2,-0.4 -0.447 101.6 -38.4 86.2-155.5 -18.3 14.3 25.8 84 87 A T - 0 0 33 -2,-0.1 38,-2.9 -7,-0.1 2,-0.5 -0.936 40.5-165.2-122.8 132.0 -18.5 13.3 22.2 85 88 A Y E -HI 76 121B 5 -9,-2.0 -9,-2.9 -2,-0.4 2,-0.4 -0.966 16.1-144.2-116.7 125.7 -16.2 11.2 20.1 86 89 A R E -HI 75 120B 44 34,-2.5 34,-2.3 -2,-0.5 2,-0.3 -0.784 17.9-117.1 -94.2 134.9 -16.5 11.2 16.3 87 90 A L E + I 0 119B 3 -13,-2.4 32,-0.3 -2,-0.4 -13,-0.1 -0.482 38.4 165.0 -66.4 121.9 -16.0 8.2 14.1 88 91 A I E - 0 0 35 30,-2.7 -21,-2.7 1,-0.4 2,-0.3 0.758 60.4 -23.2-105.2 -38.1 -13.1 8.8 11.7 89 92 A Q E -GI 66 118B 30 29,-1.1 29,-2.9 -23,-0.2 -1,-0.4 -0.980 48.4-143.2-163.7 159.8 -12.3 5.2 10.4 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-3.0 -2,-0.3 2,-0.3 -0.977 23.1 159.6-131.7 157.0 -12.6 1.5 11.0 91 94 A H E - I 0 116B 23 25,-1.8 25,-3.2 -2,-0.3 2,-0.3 -0.929 24.2-127.3-157.0 176.1 -10.3 -1.4 10.3 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.855 0.9-148.0-128.6 162.5 -9.6 -5.0 11.4 93 96 A H E + I 0 114B 3 21,-2.2 21,-2.4 -2,-0.3 2,-0.3 -0.988 31.8 168.8-124.2 137.8 -6.8 -7.1 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.5 -0.919 23.4-117.8-145.0 171.2 -7.0 -10.8 11.6 95 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.6 3,-0.1 -0.409 23.5-119.7-105.7 178.5 -4.9 -14.0 11.5 96 99 A S S S+ 0 0 37 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.614 106.3 33.7 -85.3 -16.8 -3.5 -16.5 9.1 97 100 A L S > S- 0 0 101 3,-0.2 3,-1.7 15,-0.1 -2,-0.2 -0.954 88.2-114.3-136.8 153.8 -5.7 -19.1 10.8 98 101 A D T 3 S+ 0 0 69 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.724 110.3 67.1 -60.9 -23.5 -9.2 -19.0 12.5 99 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.382 108.6 31.1 -82.3 5.2 -7.6 -19.7 15.9 100 103 A Q < + 0 0 55 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.2 -0.976 66.7 95.4-153.5 161.9 -5.8 -16.4 16.0 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.010 54.9 105.0 145.0 -36.0 -6.2 -12.8 14.8 102 105 A S - 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