==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(OXO-ACID) 04-FEB-93 1CVA . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.IPPOLITO,D.W.CHRISTIANSON . 255 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 22.0 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 . 25 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 6.3 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 5 A W 0 0 117 0, 0.0 2,-0.2 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0 153.6 7.7 -1.4 11.4 2 6 A G - 0 0 11 5,-2.2 10,-0.1 2,-0.1 58,-0.1 -0.773 360.0 -85.6-171.0-154.0 5.5 -4.3 10.4 3 7 A Y S S+ 0 0 32 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.015 82.8 113.4-126.1 16.8 4.5 -7.8 11.7 4 8 A G S > S- 0 0 24 1,-0.1 4,-1.1 4,-0.1 -2,-0.1 -0.191 84.3 -94.6 -80.7-176.0 7.4 -9.8 10.2 5 9 A K T 4 S+ 0 0 163 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.782 123.3 36.7 -71.0 -32.2 10.2 -11.6 12.0 6 10 A H T 4 S+ 0 0 162 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.631 130.3 27.7-102.9 -6.3 12.6 -8.6 11.7 7 11 A N T 4 S+ 0 0 64 -6,-0.0 -5,-2.2 5,-0.0 -2,-0.2 0.256 93.1 125.2-134.9 10.4 10.2 -5.7 12.2 8 12 A G S >X S- 0 0 0 -4,-1.1 3,-2.6 -7,-0.2 4,-0.6 0.086 80.4 -74.6 -64.7 178.0 7.5 -7.3 14.3 9 13 A P G >4 S+ 0 0 23 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.675 124.6 65.2 -51.1 -33.3 6.0 -6.2 17.6 10 14 A E G 34 S+ 0 0 102 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.523 106.7 46.0 -68.7 -9.0 9.1 -7.3 19.6 11 15 A H G X4 S+ 0 0 50 -3,-2.6 3,-2.0 1,-0.1 4,-0.3 0.599 84.9 89.4-110.5 -17.6 11.1 -4.6 17.8 12 16 A W G XX S+ 0 0 4 -4,-0.6 4,-2.6 -3,-0.5 3,-1.6 0.750 73.3 71.7 -51.8 -36.2 8.7 -1.6 18.0 13 17 A H G 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.711 88.2 66.2 -55.0 -26.7 10.2 -0.4 21.3 14 18 A K G <4 S+ 0 0 127 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.833 117.3 22.2 -67.8 -30.5 13.3 0.7 19.4 15 19 A D T <4 S+ 0 0 132 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.590 134.9 39.4-104.0 -27.5 11.6 3.4 17.4 16 20 A F >< - 0 0 57 -4,-2.6 3,-2.3 1,-0.1 -1,-0.2 -0.767 62.9-179.7-130.3 81.2 8.6 3.8 19.9 17 21 A P G > S+ 0 0 100 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.701 77.1 75.9 -50.8 -29.7 9.9 3.6 23.4 18 22 A I G > S+ 0 0 56 1,-0.3 3,-2.5 179,-0.2 -5,-0.1 0.645 71.7 91.8 -61.3 -11.2 6.3 4.2 24.7 19 23 A A G < S+ 0 0 6 -3,-2.3 -1,-0.3 1,-0.3 -6,-0.1 0.698 89.9 40.4 -54.6 -31.6 6.0 0.5 23.6 20 24 A K G < S+ 0 0 136 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.1 -0.148 96.7 128.7-112.0 35.7 6.9 -0.5 27.1 21 25 A G S < S- 0 0 16 -3,-2.5 3,-0.5 1,-0.0 -3,-0.0 -0.007 71.6 -96.7 -80.2-176.6 4.9 2.2 28.8 22 26 A E S S+ 0 0 122 1,-0.2 227,-0.3 169,-0.0 -3,-0.1 0.612 112.8 37.6 -78.2 -23.2 2.3 2.1 31.5 23 27 A R S S+ 0 0 47 168,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.357 80.3 155.8-132.8 55.5 -1.0 2.0 29.6 24 28 A Q - 0 0 2 -3,-0.5 220,-0.1 221,-0.3 170,-0.1 -0.444 31.6-102.7 -82.2 147.9 -0.2 -0.2 26.6 25 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.846 74.3 40.2-124.3 152.5 -2.8 -2.2 24.5 26 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.683 65.1 175.3 -84.8 176.7 -4.1 -4.9 23.8 27 31 A V - 0 0 1 216,-0.3 77,-1.4 -2,-0.2 2,-0.5 -0.937 36.5 -99.5-143.5 167.4 -4.6 -6.9 27.0 28 32 A D E -a 104 0A 30 216,-0.5 2,-0.9 -2,-0.3 77,-0.2 -0.758 34.4-138.6 -86.3 126.8 -6.1 -10.1 28.3 29 33 A I E -a 105 0A 0 75,-3.5 77,-2.2 -2,-0.5 2,-0.9 -0.803 11.5-157.6 -93.9 104.5 -9.6 -9.5 29.8 30 34 A D >> - 0 0 61 -2,-0.9 4,-2.0 75,-0.2 3,-0.6 -0.726 2.3-162.7 -79.7 103.3 -9.8 -11.6 33.0 31 35 A T T 34 S+ 0 0 49 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.681 86.8 52.9 -67.1 -18.4 -13.5 -11.9 33.4 32 36 A H T 34 S+ 0 0 165 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.687 114.7 42.5 -87.1 -21.9 -13.2 -13.0 37.1 33 37 A T T <4 S+ 0 0 95 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.681 87.3 107.7 -93.9 -25.5 -11.1 -10.0 37.9 34 38 A A S < S- 0 0 19 -4,-2.0 2,-0.6 1,-0.1 218,-0.2 -0.252 71.3-124.4 -57.5 136.7 -13.1 -7.4 35.9 35 39 A K E -c 252 0B 115 216,-3.2 218,-2.7 2,-0.0 2,-0.5 -0.799 9.8-131.6 -95.1 118.7 -15.0 -5.0 38.2 36 40 A Y E -c 253 0B 123 -2,-0.6 218,-0.2 216,-0.2 216,-0.0 -0.553 26.3-163.1 -64.6 112.1 -18.7 -4.6 37.8 37 41 A D > - 0 0 26 216,-3.1 3,-1.2 -2,-0.5 -1,-0.1 -0.915 14.3-173.7-109.6 108.8 -19.1 -0.8 37.8 38 42 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.635 82.0 66.7 -70.1 -18.8 -22.7 0.2 38.4 39 43 A S T 3 S+ 0 0 80 2,-0.1 2,-0.5 40,-0.0 215,-0.1 0.387 76.9 112.0 -85.9 2.7 -21.9 3.9 37.8 40 44 A L < - 0 0 34 -3,-1.2 213,-0.0 213,-0.2 38,-0.0 -0.711 61.2-144.6 -79.5 124.3 -21.2 3.0 34.2 41 45 A K - 0 0 123 37,-0.7 39,-0.1 -2,-0.5 -2,-0.1 -0.451 26.6 -87.3 -91.3 159.4 -23.8 4.4 31.8 42 46 A P - 0 0 110 0, 0.0 36,-1.7 0, 0.0 2,-0.1 -0.321 47.8-103.1 -64.0 146.4 -25.2 2.8 28.6 43 47 A L E -D 77 0B 20 141,-0.3 2,-0.5 34,-0.2 34,-0.2 -0.456 27.0-150.2 -72.7 146.0 -23.3 3.3 25.4 44 48 A S E +D 76 0B 39 32,-2.5 32,-2.5 -2,-0.1 2,-0.6 -0.927 16.9 178.2-126.7 98.4 -24.7 5.8 22.9 45 49 A V E +D 75 0B 37 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.941 2.8 179.2-103.3 109.9 -23.9 4.9 19.3 46 50 A S E +D 74 0B 35 28,-3.2 28,-2.7 -2,-0.6 3,-0.1 -0.918 24.3 138.9-116.1 98.2 -25.4 7.3 16.7 47 51 A Y > + 0 0 3 -2,-0.6 3,-1.2 26,-0.2 130,-0.2 0.151 34.5 106.9-124.3 16.9 -24.4 6.3 13.2 48 52 A D T 3 S+ 0 0 97 1,-0.3 25,-0.1 128,-0.1 -1,-0.1 0.746 88.1 44.3 -65.0 -29.1 -27.6 6.8 11.2 49 53 A Q T 3 S+ 0 0 117 23,-0.9 -1,-0.3 -3,-0.1 24,-0.2 0.191 83.9 143.4-101.7 12.3 -26.1 9.8 9.6 50 54 A A < - 0 0 25 -3,-1.2 2,-0.5 22,-0.1 123,-0.1 -0.203 36.0-156.5 -59.0 139.1 -22.7 8.3 8.9 51 55 A T - 0 0 51 16,-0.3 16,-2.5 121,-0.1 2,-0.4 -0.955 5.7-162.2-123.5 104.7 -21.0 9.3 5.7 52 56 A S E +E 66 0B 2 -2,-0.5 121,-0.6 14,-0.2 14,-0.2 -0.732 12.5 174.5 -87.2 140.8 -18.5 6.7 4.3 53 57 A L E - 0 0 78 12,-2.5 118,-3.4 -2,-0.4 2,-0.3 0.798 50.1 -23.9-107.5 -59.0 -16.0 8.0 1.8 54 58 A R E -EF 65 170B 83 11,-0.9 11,-2.8 116,-0.3 -1,-0.4 -0.919 42.1-128.7-155.0 176.1 -13.4 5.5 0.8 55 59 A I E +EF 64 169B 0 114,-2.0 114,-2.4 -2,-0.3 2,-0.3 -0.980 28.7 178.3-137.2 134.2 -11.4 2.4 1.7 56 60 A L E -EF 63 168B 28 7,-1.9 7,-2.4 -2,-0.3 2,-0.7 -0.989 31.1-130.4-143.5 154.3 -7.6 2.1 1.5 57 61 A N E -E 62 0B 0 110,-3.1 109,-3.6 -2,-0.3 5,-0.2 -0.918 21.0-179.1-109.3 111.7 -4.8 -0.3 2.1 58 62 A N - 0 0 35 3,-1.7 4,-0.1 -2,-0.7 -1,-0.1 0.234 55.9 -99.2 -93.7 4.3 -2.2 1.5 4.2 59 63 A G S S+ 0 0 9 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.334 117.8 54.7 92.2 -2.6 0.1 -1.5 4.2 60 64 A H S S- 0 0 53 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.376 123.3 -26.4-132.4 -10.0 -0.9 -2.8 7.7 61 65 A A - 0 0 1 165,-0.1 -3,-1.7 31,-0.1 -1,-0.5 -0.941 70.0 -87.9-178.6-173.3 -4.6 -3.1 7.3 62 66 A F E -E 57 0B 0 -2,-0.3 29,-0.5 29,-0.2 2,-0.5 -0.971 36.3-155.4-122.1 131.6 -7.5 -1.7 5.3 63 67 A N E -E 56 0B 20 -7,-2.4 -7,-1.9 -2,-0.4 2,-0.6 -0.942 10.6-152.7-112.7 132.2 -9.3 1.4 6.6 64 68 A V E -EG 55 89B 0 25,-2.6 25,-2.1 -2,-0.5 2,-0.3 -0.947 29.3-150.4 -96.9 114.5 -12.9 2.5 5.8 65 69 A E E -EG 54 88B 48 -11,-2.8 -12,-2.5 -2,-0.6 -11,-0.9 -0.675 10.6-158.8 -97.0 144.0 -12.8 6.3 6.1 66 70 A F E -E 52 0B 8 21,-3.3 2,-0.8 -2,-0.3 -14,-0.2 -0.903 29.2-103.5-121.1 156.7 -15.6 8.6 7.2 67 71 A D + 0 0 40 -16,-2.5 3,-0.3 -2,-0.3 -16,-0.3 -0.641 39.8 173.9 -73.6 106.4 -16.5 12.3 6.9 68 72 A D + 0 0 39 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.221 46.6 104.5-110.5 38.0 -15.7 13.6 10.3 69 73 A S S S+ 0 0 80 1,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.562 88.7 27.4 -90.0 -10.5 -16.2 17.3 9.6 70 74 A Q S S- 0 0 116 -3,-0.3 2,-2.6 3,-0.0 3,-0.4 -0.941 99.2 -89.2-143.9 161.5 -19.5 17.3 11.4 71 75 A D S S+ 0 0 85 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.468 77.0 130.6 -72.9 69.3 -21.1 15.3 14.3 72 76 A K S S+ 0 0 44 -2,-2.6 -23,-0.9 1,-0.3 2,-0.5 0.837 72.3 22.6 -91.8 -46.1 -22.5 12.7 11.8 73 77 A A S S+ 0 0 5 -3,-0.4 13,-2.5 13,-0.2 -1,-0.3 -0.963 86.4 170.8-129.5 106.4 -21.5 9.3 13.4 74 78 A V E -DH 46 85B 13 -28,-2.7 -28,-3.2 -2,-0.5 2,-0.4 -0.855 29.1-155.5-127.7 158.7 -20.9 9.7 17.1 75 79 A L E +DH 45 84B 0 9,-2.3 9,-2.1 -2,-0.3 2,-0.3 -0.997 29.3 148.4-128.3 130.7 -20.2 7.8 20.2 76 80 A K E +D 44 0B 83 -32,-2.5 -32,-2.5 -2,-0.4 7,-0.1 -0.874 35.9 43.4-150.8 178.8 -21.1 9.1 23.7 77 81 A G E > S+D 43 0B 25 5,-0.3 3,-1.8 -2,-0.3 -34,-0.2 -0.351 73.5 82.8 73.1-162.2 -22.2 7.8 27.1 78 82 A G T 3 S- 0 0 2 -36,-1.7 -37,-0.7 1,-0.2 -1,-0.1 -0.387 120.4 -25.3 64.8-138.3 -20.6 4.8 28.7 79 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.470 116.2 108.1 -78.0 -11.6 -17.3 5.8 30.4 80 84 A L < - 0 0 10 -3,-1.8 2,-0.5 -39,-0.1 -3,-0.2 -0.373 57.3-149.8 -79.4 153.3 -16.9 8.8 28.1 81 85 A D - 0 0 126 53,-0.1 2,-0.1 -2,-0.1 -1,-0.0 -0.982 68.4 -9.0-121.0 112.9 -17.2 12.5 28.7 82 86 A G S S- 0 0 50 -2,-0.5 2,-0.4 39,-0.1 -5,-0.3 -0.348 99.2 -43.6 92.3-177.2 -18.3 14.5 25.6 83 87 A T - 0 0 34 -7,-0.1 38,-2.4 -2,-0.1 2,-0.4 -0.767 43.0-160.3 -96.5 131.4 -18.8 13.4 22.0 84 88 A Y E -HI 75 120B 6 -9,-2.1 -9,-2.3 -2,-0.4 2,-0.5 -0.949 13.4-142.7-113.5 130.0 -16.4 11.3 19.9 85 89 A R E -HI 74 119B 47 34,-2.6 34,-2.0 -2,-0.4 2,-0.3 -0.829 16.0-121.1-101.1 134.1 -16.5 11.3 16.2 86 90 A L E + I 0 118B 2 -13,-2.5 32,-0.3 -2,-0.5 -13,-0.2 -0.520 36.3 165.7 -68.0 130.0 -16.0 8.2 14.0 87 91 A I E - 0 0 36 30,-2.5 -21,-3.3 1,-0.4 2,-0.3 0.729 61.4 -21.2-116.5 -38.0 -13.1 8.8 11.7 88 92 A Q E -GI 65 117B 33 29,-1.0 29,-2.7 -23,-0.2 -1,-0.4 -0.980 49.0-144.7-164.3 164.9 -12.4 5.2 10.4 89 93 A F E +GI 64 116B 0 -25,-2.1 -25,-2.6 -2,-0.3 2,-0.2 -0.990 24.8 158.0-139.3 146.4 -12.8 1.5 11.1 90 94 A H E - I 0 115B 22 25,-1.8 25,-3.0 -2,-0.3 2,-0.3 -0.888 25.2-122.5-153.7 178.2 -10.4 -1.5 10.4 91 95 A F E - I 0 114B 1 -29,-0.5 2,-0.4 -2,-0.2 -29,-0.2 -0.890 0.7-149.0-132.6 161.1 -9.6 -5.0 11.4 92 96 A H E + I 0 113B 4 21,-1.4 21,-2.0 -2,-0.3 2,-0.3 -0.983 33.0 168.6-126.9 130.7 -6.8 -7.2 12.8 93 97 A W E - I 0 112B 0 -2,-0.4 146,-1.1 19,-0.2 145,-0.5 -0.857 23.8-120.6-141.2-178.9 -6.9 -10.8 11.7 94 98 A G - 0 0 0 17,-1.2 6,-0.1 5,-0.6 128,-0.1 -0.641 25.0-118.7-120.0 176.9 -4.9 -14.1 11.7 95 99 A S S S+ 0 0 41 -2,-0.2 2,-0.3 142,-0.1 -1,-0.1 0.769 105.4 33.2 -83.4 -24.3 -3.5 -16.6 9.2 96 100 A L S > S- 0 0 107 15,-0.1 3,-1.5 1,-0.0 -2,-0.2 -0.846 88.6-112.0-125.5 163.4 -5.8 -19.2 10.9 97 101 A D T 3 S+ 0 0 70 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.678 110.1 72.0 -65.4 -20.3 -9.2 -19.1 12.6 98 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.456 106.2 22.5 -76.6 -7.9 -7.4 -19.8 16.0 99 103 A Q < + 0 0 53 -3,-1.5 -5,-0.6 12,-0.2 139,-0.1 -0.900 65.1 99.1-152.0 173.5 -5.8 -16.3 16.2 100 104 A G + 0 0 0 1,-0.5 13,-0.3 -7,-0.3 11,-0.2 -0.020 53.9 109.0 136.7 -36.7 -6.2 -12.6 15.0 101 105 A S - 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