==== 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) 21-JUN-94 1CVD . 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) . 11496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.1 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 . 29 11.4 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 . 15 5.9 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 5 A W 0 0 111 0, 0.0 2,-0.2 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0 153.1 7.8 -1.5 11.4 2 6 A G - 0 0 11 5,-2.5 10,-0.1 2,-0.2 58,-0.1 -0.765 360.0 -82.9-169.9-151.8 5.5 -4.5 10.5 3 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.020 84.3 106.5-125.0 17.5 4.5 -7.9 11.7 4 8 A G S > S- 0 0 23 4,-0.1 4,-1.7 1,-0.1 -2,-0.2 -0.291 87.5 -93.0 -91.6 177.0 7.4 -10.0 10.4 5 9 A K T 4 S+ 0 0 173 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.753 123.6 40.6 -62.6 -31.7 10.2 -11.6 12.3 6 10 A H T 4 S+ 0 0 163 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.672 130.2 23.0 -93.0 -21.9 12.5 -8.6 11.7 7 11 A N T 4 S+ 0 0 65 -3,-0.1 -5,-2.5 -6,-0.1 -2,-0.2 0.240 93.7 125.0-125.1 8.3 10.1 -5.7 12.2 8 12 A G S >< S- 0 0 0 -4,-1.7 3,-2.1 -7,-0.2 4,-0.4 0.144 79.7 -75.6 -61.2-176.6 7.4 -7.3 14.3 9 13 A P G > S+ 0 0 28 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.672 125.1 65.4 -55.2 -29.7 6.0 -6.2 17.7 10 14 A E G 3 S+ 0 0 108 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.640 108.6 43.3 -70.2 -14.3 9.0 -7.4 19.7 11 15 A H G X S+ 0 0 50 -3,-2.1 3,-1.5 1,-0.1 4,-0.4 0.522 83.9 90.7-104.4 -18.5 11.0 -4.7 17.9 12 16 A W G X> S+ 0 0 5 -3,-0.6 4,-3.0 -4,-0.4 3,-1.1 0.767 72.4 74.0 -56.2 -33.6 8.7 -1.6 17.9 13 17 A H G 34 S+ 0 0 68 -4,-0.4 -1,-0.2 1,-0.2 6,-0.1 0.801 86.3 65.3 -52.8 -25.9 10.2 -0.3 21.3 14 18 A K G <4 S+ 0 0 124 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.889 119.2 21.2 -62.9 -40.5 13.5 0.8 19.4 15 19 A D T <4 S+ 0 0 134 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.758 135.4 39.4 -94.5 -35.1 11.7 3.4 17.4 16 20 A F >< - 0 0 62 -4,-3.0 3,-2.2 -5,-0.1 -1,-0.2 -0.806 64.6-179.7-122.7 82.7 8.6 3.8 19.6 17 21 A P G > S+ 0 0 100 0, 0.0 3,-1.6 0, 0.0 -4,-0.1 0.669 76.9 73.9 -55.9 -24.4 9.8 3.7 23.3 18 22 A I G > S+ 0 0 60 1,-0.3 3,-3.3 179,-0.2 -5,-0.1 0.623 70.7 94.0 -68.7 -8.3 6.3 4.1 24.6 19 23 A A G < S+ 0 0 7 -3,-2.2 -1,-0.3 1,-0.3 -6,-0.1 0.701 92.1 37.9 -53.9 -25.8 5.9 0.5 23.5 20 24 A K G < S+ 0 0 141 -3,-1.6 -1,-0.3 -7,-0.1 -2,-0.2 0.022 95.1 130.3-114.3 23.0 6.8 -0.5 27.1 21 25 A G S < S- 0 0 17 -3,-3.3 3,-0.4 1,-0.1 -3,-0.1 0.204 71.9 -96.8 -67.6-172.0 4.8 2.4 28.6 22 26 A E S S+ 0 0 116 1,-0.2 227,-0.3 169,-0.0 -1,-0.1 0.641 112.4 39.4 -85.4 -17.5 2.3 2.1 31.4 23 27 A R S S+ 0 0 49 168,-0.1 2,-0.2 2,-0.0 -1,-0.2 -0.407 78.2 154.8-137.8 57.8 -1.0 2.0 29.5 24 28 A Q - 0 0 3 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.573 31.4-102.8 -83.7 149.9 -0.3 -0.2 26.5 25 29 A S S S+ 0 0 0 168,-0.5 2,-0.1 -2,-0.2 -2,-0.0 -0.827 74.8 40.3-126.1 158.9 -2.9 -2.2 24.5 26 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.650 65.2 173.4 -81.9-177.1 -4.2 -4.7 23.8 27 31 A V - 0 0 1 216,-0.3 77,-1.4 -2,-0.1 2,-0.4 -0.885 37.0 -95.1-144.8 166.3 -4.6 -6.8 27.0 28 32 A D E -a 104 0A 32 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.812 34.2-137.7 -86.9 128.2 -6.1 -10.0 28.3 29 33 A I E -a 105 0A 0 75,-3.4 77,-3.5 -2,-0.4 2,-0.9 -0.861 13.1-160.4 -92.8 107.9 -9.5 -9.5 29.7 30 34 A D >> - 0 0 66 -2,-0.8 4,-1.8 75,-0.2 3,-0.7 -0.850 3.6-161.9 -89.8 109.4 -9.7 -11.6 32.9 31 35 A T T 34 S+ 0 0 43 -2,-0.9 -1,-0.1 1,-0.2 222,-0.0 0.648 84.7 53.2 -67.0 -22.0 -13.4 -11.8 33.4 32 36 A H T 34 S+ 0 0 168 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.673 114.6 41.5 -87.0 -23.0 -13.2 -12.9 37.1 33 37 A T T <4 S+ 0 0 100 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.1 0.701 88.7 102.5 -96.3 -27.7 -11.1 -9.9 38.0 34 38 A A S < S- 0 0 18 -4,-1.8 2,-0.6 1,-0.1 218,-0.3 -0.319 74.8-123.0 -63.0 138.3 -12.8 -7.3 36.0 35 39 A K E -c 252 0B 121 216,-2.1 218,-2.6 -2,-0.1 2,-0.6 -0.778 6.8-130.8 -96.7 122.1 -15.0 -5.1 38.2 36 40 A Y E -c 253 0B 126 -2,-0.6 218,-0.2 216,-0.2 216,-0.1 -0.576 26.8-161.3 -66.3 116.5 -18.7 -4.7 37.7 37 41 A D > - 0 0 25 216,-2.7 3,-1.3 -2,-0.6 -1,-0.1 -0.918 13.3-166.6-104.6 108.2 -19.1 -0.9 37.9 38 42 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.665 83.6 67.7 -65.6 -25.7 -22.7 0.1 38.6 39 43 A S T 3 S+ 0 0 80 2,-0.1 2,-0.5 40,-0.0 215,-0.1 0.243 73.7 111.9 -76.5 6.8 -21.9 3.8 37.7 40 44 A L < - 0 0 33 -3,-1.3 3,-0.1 213,-0.2 213,-0.0 -0.722 59.2-144.1 -89.8 130.8 -21.3 3.0 34.0 41 45 A K - 0 0 120 37,-0.8 39,-0.1 -2,-0.5 3,-0.1 -0.508 29.9 -90.5 -86.7 154.7 -23.9 4.4 31.6 42 46 A P - 0 0 111 0, 0.0 36,-1.9 0, 0.0 -1,-0.1 -0.240 47.9-101.1 -61.1 154.8 -25.1 2.5 28.5 43 47 A L E -D 77 0B 17 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.529 30.0-148.4 -76.0 151.1 -23.1 3.2 25.3 44 48 A S E -D 76 0B 43 32,-2.3 32,-1.9 -2,-0.1 2,-0.6 -0.930 15.7-176.5-129.0 101.0 -24.8 5.6 22.9 45 49 A V E +D 75 0B 37 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.919 5.2 179.3-103.6 114.4 -24.0 4.9 19.2 46 50 A S E +D 74 0B 34 28,-3.1 28,-2.4 -2,-0.6 3,-0.1 -0.842 25.8 138.0-113.8 88.3 -25.5 7.3 16.7 47 51 A Y > + 0 0 3 -2,-0.7 3,-1.5 26,-0.3 130,-0.2 0.229 33.9 105.1-114.0 13.2 -24.5 6.2 13.3 48 52 A D T 3 S+ 0 0 101 1,-0.3 25,-0.1 -3,-0.1 -1,-0.1 0.674 85.8 47.9 -61.9 -22.9 -27.6 6.7 11.2 49 53 A Q T 3 S+ 0 0 116 23,-0.9 -1,-0.3 -3,-0.1 24,-0.2 0.152 83.9 144.1-105.5 12.6 -26.1 9.8 9.6 50 54 A A < - 0 0 24 -3,-1.5 2,-0.5 22,-0.1 123,-0.1 -0.227 34.3-159.4 -61.3 137.4 -22.7 8.2 8.8 51 55 A T - 0 0 51 16,-0.3 16,-2.4 122,-0.1 2,-0.2 -0.904 3.9-165.2-121.9 103.0 -21.0 9.1 5.6 52 56 A S E +E 66 0B 0 -2,-0.5 121,-0.7 122,-0.2 14,-0.2 -0.533 11.7 173.1 -82.5 151.6 -18.4 6.6 4.3 53 57 A L E - 0 0 73 12,-2.1 118,-3.2 1,-0.3 2,-0.3 0.628 52.6 -14.1-124.4 -49.8 -16.0 8.0 1.6 54 58 A R E -EF 65 170B 93 11,-1.0 11,-2.9 116,-0.3 2,-0.4 -0.997 42.3-134.2-161.1 165.9 -13.3 5.4 0.9 55 59 A I E -EF 64 169B 0 114,-2.3 114,-2.6 -2,-0.3 2,-0.4 -0.970 27.6-177.2-124.6 139.2 -11.4 2.3 1.8 56 60 A L E -EF 63 168B 28 7,-1.7 7,-2.1 -2,-0.4 2,-0.7 -0.992 29.4-135.9-146.8 147.6 -7.6 2.0 1.6 57 61 A N E -E 62 0B 1 110,-2.3 109,-2.5 -2,-0.4 5,-0.2 -0.922 22.9-178.4-100.2 106.9 -4.9 -0.6 2.1 58 62 A N - 0 0 32 3,-1.8 4,-0.1 -2,-0.7 -1,-0.1 0.251 55.3 -94.7 -96.0 7.5 -2.2 1.3 4.2 59 63 A G S S+ 0 0 10 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.124 119.7 48.6 96.4 -10.7 0.3 -1.6 4.3 60 64 A H S S- 0 0 51 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.466 124.5 -25.1-132.1 -17.1 -0.8 -3.0 7.7 61 65 A A S S- 0 0 3 165,-0.1 -3,-1.8 31,-0.1 -1,-0.5 -0.883 71.5 -89.5-172.4-167.8 -4.6 -3.3 7.4 62 66 A F E -E 57 0B 0 29,-0.3 2,-0.5 -2,-0.3 29,-0.3 -0.995 33.8-154.3-131.8 119.8 -7.4 -1.6 5.4 63 67 A N E -E 56 0B 23 -7,-2.1 -7,-1.7 -2,-0.5 2,-0.7 -0.843 7.2-153.5 -96.4 129.7 -9.2 1.5 6.8 64 68 A V E -EG 55 89B 0 25,-2.6 25,-1.6 -2,-0.5 -9,-0.3 -0.929 27.5-151.3 -97.7 111.2 -12.7 2.5 5.9 65 69 A E E -EG 54 88B 47 -11,-2.9 -12,-2.1 -2,-0.7 -11,-1.0 -0.605 10.6-160.5 -93.4 145.0 -12.7 6.3 6.3 66 70 A F E -E 52 0B 9 21,-2.5 2,-0.7 -2,-0.3 -14,-0.2 -0.913 30.9-101.5-125.1 151.7 -15.6 8.5 7.2 67 71 A D + 0 0 45 -16,-2.4 -16,-0.3 -2,-0.3 5,-0.3 -0.662 39.3 175.6 -71.1 110.5 -16.3 12.3 6.9 68 72 A D + 0 0 41 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 -0.128 46.8 107.6-113.0 34.1 -15.7 13.6 10.4 69 73 A S S S+ 0 0 81 1,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.449 88.4 24.5 -86.5 -5.6 -16.2 17.3 9.6 70 74 A Q S S- 0 0 116 -3,-0.3 2,-2.2 3,-0.1 3,-0.4 -0.956 97.8 -89.4-151.4 160.6 -19.5 17.2 11.5 71 75 A D S S+ 0 0 85 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.541 75.8 129.6 -73.8 72.7 -21.2 15.2 14.3 72 76 A K S S+ 0 0 44 -2,-2.2 -23,-0.9 1,-0.3 2,-0.5 0.824 74.4 23.6 -92.7 -41.0 -22.7 12.6 11.8 73 77 A A S S+ 0 0 8 -3,-0.4 13,-2.5 -6,-0.2 -1,-0.3 -0.952 86.5 169.1-127.9 107.1 -21.6 9.3 13.4 74 78 A V E -DH 46 85B 13 -28,-2.4 -28,-3.1 -2,-0.5 2,-0.4 -0.849 29.9-152.2-133.1 159.9 -20.9 9.7 17.1 75 79 A L E +DH 45 84B 0 9,-2.9 9,-2.6 -2,-0.3 2,-0.3 -0.977 30.4 148.8-121.1 136.2 -20.2 7.7 20.3 76 80 A K E +D 44 0B 84 -32,-1.9 -32,-2.3 -2,-0.4 7,-0.1 -0.887 35.7 45.1-154.9 178.1 -21.2 9.0 23.7 77 81 A G E > S+D 43 0B 22 5,-0.3 3,-1.6 -2,-0.3 -34,-0.3 -0.348 72.1 81.4 74.4-161.0 -22.2 7.7 27.1 78 82 A G T 3 S- 0 0 1 -36,-1.9 -37,-0.8 1,-0.2 -1,-0.1 -0.392 120.3 -27.0 62.9-136.0 -20.6 4.7 28.8 79 83 A P T 3 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.331 114.9 113.0 -86.0 -2.5 -17.4 5.8 30.5 80 84 A L < - 0 0 9 -3,-1.6 2,-0.5 -39,-0.1 -3,-0.2 -0.476 54.9-153.1 -78.1 149.6 -17.0 8.6 28.1 81 85 A D - 0 0 117 -2,-0.2 2,-0.2 53,-0.1 -3,-0.0 -0.962 66.9 -6.9-121.8 107.4 -17.2 12.3 28.8 82 86 A G S S- 0 0 47 -2,-0.5 2,-0.5 38,-0.1 -5,-0.3 -0.507 98.5 -44.8 99.8 179.4 -18.2 14.3 25.7 83 87 A T - 0 0 36 -2,-0.2 38,-2.5 -7,-0.1 2,-0.5 -0.843 43.2-160.4-102.0 129.0 -18.8 13.4 22.1 84 88 A Y E -HI 75 120B 3 -9,-2.6 -9,-2.9 -2,-0.5 2,-0.4 -0.946 12.1-142.8-113.3 129.2 -16.5 11.3 20.1 85 89 A R E -HI 74 119B 47 34,-2.8 34,-2.1 -2,-0.5 2,-0.3 -0.804 17.9-120.7 -97.8 130.5 -16.6 11.3 16.2 86 90 A L E + I 0 118B 3 -13,-2.5 32,-0.3 -2,-0.4 -13,-0.2 -0.573 38.1 164.8 -69.8 123.4 -16.1 8.2 14.1 87 91 A I E - 0 0 30 30,-3.1 -21,-2.5 1,-0.4 2,-0.3 0.716 59.9 -21.6-111.9 -41.8 -13.1 8.7 11.8 88 92 A Q E -GI 65 117B 31 29,-1.3 29,-3.8 -23,-0.2 -1,-0.4 -0.985 46.1-145.0-163.4 168.1 -12.4 5.1 10.6 89 93 A F E +GI 64 116B 0 -25,-1.6 -25,-2.6 -2,-0.3 2,-0.3 -0.957 24.1 162.8-138.4 147.6 -12.7 1.4 11.2 90 94 A H E - I 0 115B 27 25,-1.4 25,-3.1 -2,-0.3 2,-0.3 -0.892 22.8-128.6-156.3 174.2 -10.2 -1.4 10.5 91 95 A F E - I 0 114B 1 -29,-0.3 2,-0.4 -2,-0.3 -29,-0.3 -0.896 1.9-147.9-133.1 166.4 -9.6 -5.0 11.4 92 96 A H E + I 0 113B 4 21,-1.7 21,-1.6 -2,-0.3 2,-0.3 -0.993 30.7 169.9-132.9 116.3 -6.9 -7.3 12.7 93 97 A W E - I 0 112B 1 -2,-0.4 146,-1.5 19,-0.2 145,-0.4 -0.811 21.6-127.2-130.6 177.0 -6.9 -10.9 11.6 94 98 A G - 0 0 0 17,-1.1 6,-0.1 5,-0.7 3,-0.1 -0.478 25.7-114.6-114.8 179.2 -4.9 -14.1 11.6 95 99 A S S S+ 0 0 40 -2,-0.2 2,-0.3 142,-0.1 5,-0.1 0.718 105.4 33.4 -84.5 -25.8 -3.6 -16.7 9.2 96 100 A L S > S- 0 0 107 3,-0.2 3,-1.3 15,-0.1 -2,-0.3 -0.861 87.9-113.0-126.6 164.0 -5.8 -19.3 10.9 97 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.656 109.7 70.8 -65.4 -22.3 -9.2 -19.1 12.6 98 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 12,-0.1 -1,-0.3 0.412 106.2 28.1 -75.4 0.7 -7.6 -19.8 16.0 99 103 A Q < + 0 0 51 -3,-1.3 -5,-0.7 12,-0.1 -3,-0.2 -0.986 64.2 96.2-158.0 159.8 -5.9 -16.3 16.1 100 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.051 54.4 108.5 145.4 -34.4 -6.3 -12.7 15.0 101 105 A S - 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