==== 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) 17-SEP-92 1CAI . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.XUE,A.LILJAS,B.-H.JONSSON,S.LINDSKOG . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11805.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.7 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 . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.6 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 2 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 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 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 3 A H 0 0 222 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-118.5 13.9 -1.0 9.7 2 4 A H - 0 0 120 1,-0.1 0, 0.0 15,-0.0 0, 0.0 -0.717 360.0 -97.6 -97.1 141.5 10.3 0.1 9.4 3 5 A W + 0 0 33 -2,-0.3 2,-0.2 1,-0.1 7,-0.2 -0.112 57.3 128.8 -57.7 146.4 7.7 -1.7 11.5 4 6 A G - 0 0 11 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.726 65.9 -81.6-165.7-151.0 5.4 -4.5 10.4 5 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.280 83.6 108.9-119.6 7.7 4.4 -7.9 11.5 6 8 A G S > S- 0 0 37 4,-0.1 4,-1.5 1,-0.1 3,-0.3 -0.147 84.5 -96.2 -80.8 178.0 7.3 -10.0 10.3 7 9 A K T 4 S+ 0 0 144 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.845 122.9 42.8 -61.0 -36.2 10.1 -11.7 12.3 8 10 A H T 4 S+ 0 0 160 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.656 129.2 23.4 -90.0 -15.7 12.5 -8.8 11.7 9 11 A N T 4 S+ 0 0 51 -3,-0.3 -5,-2.5 -6,-0.1 -2,-0.2 0.244 94.2 131.8-137.7 17.8 10.2 -5.9 12.2 10 12 A G S >X S- 0 0 0 -4,-1.5 3,-2.2 -7,-0.2 4,-0.5 0.170 77.1 -78.2 -66.2 174.1 7.5 -7.4 14.4 11 13 A P G >4 S+ 0 0 27 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.764 125.6 64.7 -49.9 -36.3 5.9 -6.3 17.6 12 14 A E G 34 S+ 0 0 98 1,-0.3 3,-0.2 2,-0.1 -5,-0.1 0.719 106.3 44.6 -61.2 -18.1 8.9 -7.5 19.6 13 15 A H G X> S+ 0 0 47 -3,-2.2 3,-1.4 1,-0.1 4,-0.6 0.576 84.1 92.8-100.9 -16.8 11.0 -4.8 17.9 14 16 A W H XX S+ 0 0 4 -3,-1.0 4,-2.5 -4,-0.5 3,-0.9 0.797 72.6 69.8 -54.8 -33.8 8.7 -1.8 18.0 15 17 A H H 34 S+ 0 0 66 -4,-0.4 -1,-0.2 1,-0.2 7,-0.1 0.783 88.0 65.3 -57.0 -28.5 10.2 -0.4 21.3 16 18 A K H <4 S+ 0 0 133 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.903 118.5 24.0 -65.5 -35.4 13.4 0.5 19.5 17 19 A D H << S+ 0 0 109 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.732 134.6 37.9 -97.9 -25.7 11.6 3.1 17.4 18 20 A F >< - 0 0 58 -4,-2.5 3,-2.4 1,-0.1 -1,-0.3 -0.824 64.4-176.4-129.8 82.6 8.6 3.7 19.7 19 21 A P G > S+ 0 0 101 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.724 78.5 73.8 -54.3 -28.6 9.9 3.6 23.3 20 22 A I G > S+ 0 0 57 1,-0.3 3,-2.8 2,-0.2 -5,-0.1 0.670 70.8 90.4 -61.0 -12.6 6.3 4.0 24.5 21 23 A A G < S+ 0 0 7 -3,-2.4 -1,-0.3 1,-0.3 -6,-0.1 0.671 90.9 43.7 -53.3 -23.5 5.9 0.4 23.5 22 24 A K G < S+ 0 0 140 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.029 93.2 131.6-112.0 25.0 6.9 -0.4 27.1 23 25 A G S < S- 0 0 17 -3,-2.8 3,-0.4 1,-0.1 -3,-0.0 0.104 70.5-104.5 -66.6 179.3 4.8 2.3 28.7 24 26 A E S S+ 0 0 121 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.510 112.6 41.7 -88.5 -9.8 2.4 1.9 31.6 25 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 168,-0.1 2,-0.1 -0.198 79.4 152.0-138.4 54.1 -0.9 2.0 29.6 26 28 A Q - 0 0 5 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.368 32.7 -99.0 -85.5 150.0 -0.2 -0.2 26.6 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.1 -2,-0.0 -0.911 75.6 35.9-128.5 159.6 -2.8 -2.2 24.6 28 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.627 64.4 179.1 -80.4-177.6 -4.1 -4.7 23.9 29 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.874 35.7 -99.7-135.2 165.9 -4.5 -6.7 27.2 30 32 A D E -a 106 0A 38 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.775 36.1-134.4 -86.2 133.9 -6.1 -10.1 28.2 31 33 A I E -a 107 0A 0 75,-2.7 77,-3.6 -2,-0.4 2,-0.9 -0.850 14.3-158.6 -92.4 105.9 -9.5 -9.5 29.7 32 34 A D >> - 0 0 62 -2,-0.8 3,-1.2 75,-0.2 4,-1.2 -0.837 3.7-160.0 -86.2 110.1 -9.7 -11.6 32.9 33 35 A T T 34 S+ 0 0 47 -2,-0.9 -1,-0.1 1,-0.3 222,-0.0 0.724 85.5 52.2 -66.9 -23.1 -13.4 -11.9 33.3 34 36 A H T 34 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.528 113.6 43.6 -91.4 -3.3 -13.3 -12.9 37.0 35 37 A T T <4 S+ 0 0 95 -3,-1.2 2,-0.2 2,-0.1 -2,-0.2 0.525 86.5 104.2-110.9 -16.9 -11.1 -9.9 38.0 36 38 A A S < S- 0 0 20 -4,-1.2 2,-0.6 216,-0.1 218,-0.2 -0.541 73.1-127.2 -65.3 137.1 -12.9 -7.2 35.9 37 39 A K E -c 254 0B 114 216,-2.4 218,-2.5 -2,-0.2 2,-0.3 -0.761 8.0-131.8 -94.5 121.5 -15.0 -5.1 38.2 38 40 A Y E -c 255 0B 78 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.523 25.1-166.8 -62.3 127.7 -18.7 -4.6 37.6 39 41 A D > - 0 0 29 216,-2.7 3,-1.9 -2,-0.3 -1,-0.1 -0.901 12.2-169.3-124.6 104.5 -19.3 -0.8 37.9 40 42 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.439 82.2 70.7 -73.0 2.6 -23.0 0.1 38.0 41 43 A S T 3 S+ 0 0 80 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.447 74.1 104.1 -95.7 -3.5 -22.1 3.8 37.6 42 44 A L < - 0 0 29 -3,-1.9 3,-0.1 213,-0.2 -3,-0.0 -0.722 68.9-136.2 -80.3 134.6 -21.2 3.2 34.0 43 45 A K - 0 0 108 37,-1.0 39,-0.1 -2,-0.4 -2,-0.1 -0.344 27.0 -93.2 -84.5 158.0 -23.9 4.4 31.5 44 46 A P - 0 0 108 0, 0.0 36,-1.6 0, 0.0 2,-0.2 -0.413 50.1-100.4 -67.6 150.2 -25.0 2.4 28.5 45 47 A L E -D 79 0B 18 141,-0.3 2,-0.5 34,-0.2 34,-0.2 -0.534 27.8-147.3 -72.8 155.6 -23.2 3.3 25.3 46 48 A S E -D 78 0B 50 32,-2.2 32,-2.0 -2,-0.2 2,-0.6 -0.982 14.6-174.1-126.0 102.5 -24.9 5.6 22.9 47 49 A V E -D 77 0B 35 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.949 3.4-178.1-101.7 113.8 -24.0 4.8 19.2 48 50 A S E +D 76 0B 38 28,-3.0 28,-1.9 -2,-0.6 3,-0.2 -0.822 25.6 141.5-115.2 86.6 -25.4 7.4 16.7 49 51 A Y > + 0 0 2 -2,-0.6 3,-1.4 26,-0.2 130,-0.2 0.190 33.6 108.3-107.4 10.9 -24.5 6.2 13.3 50 52 A D T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.850 87.0 39.6 -59.7 -35.1 -27.6 7.1 11.4 51 53 A Q T 3 S+ 0 0 130 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.188 84.0 146.9-100.6 14.1 -26.0 10.0 9.5 52 54 A A < - 0 0 25 -3,-1.4 2,-0.5 22,-0.2 18,-0.1 -0.184 32.4-159.9 -50.0 136.7 -22.7 8.2 8.9 53 55 A T - 0 0 51 16,-0.3 16,-2.7 122,-0.1 2,-0.1 -0.869 2.5-163.0-123.7 100.4 -20.9 9.1 5.7 54 56 A S E +E 68 0B 0 -2,-0.5 121,-0.6 122,-0.4 14,-0.3 -0.455 12.9 172.9 -77.7 151.1 -18.4 6.7 4.4 55 57 A L E - 0 0 77 12,-3.0 118,-2.2 1,-0.4 2,-0.3 0.674 50.7 -5.3-122.2 -44.8 -16.0 8.0 1.8 56 58 A R E -EF 67 172B 82 11,-1.3 11,-2.8 116,-0.3 2,-0.4 -0.990 43.2-137.5-158.1 158.1 -13.2 5.6 1.0 57 59 A I E -EF 66 171B 0 114,-2.8 114,-2.1 -2,-0.3 2,-0.4 -0.982 28.6-174.5-122.5 135.4 -11.5 2.3 1.7 58 60 A L E -EF 65 170B 30 7,-2.4 7,-2.1 -2,-0.4 2,-0.7 -0.992 27.8-142.0-134.6 138.8 -7.6 2.2 1.7 59 61 A N E +E 64 0B 0 110,-2.8 109,-3.0 -2,-0.4 5,-0.2 -0.875 23.8 179.6 -93.0 109.1 -4.9 -0.5 2.0 60 62 A N - 0 0 31 3,-2.2 4,-0.1 -2,-0.7 -1,-0.1 0.390 52.7-101.5 -97.1 8.2 -2.3 1.4 4.1 61 63 A G S S+ 0 0 11 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.280 116.5 54.7 87.6 -0.2 0.1 -1.6 4.2 62 64 A H S S- 0 0 51 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.556 125.0 -28.7-128.3 -25.3 -0.8 -2.7 7.7 63 65 A A S S- 0 0 1 -5,-0.1 -3,-2.2 164,-0.1 -1,-0.6 -0.870 71.7 -90.5-164.4-168.1 -4.6 -3.2 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 -5,-0.2 2,-0.4 -0.975 35.6-155.7-122.6 132.8 -7.4 -1.6 5.3 65 67 A N E -E 58 0B 21 -7,-2.1 -7,-2.4 -2,-0.4 2,-0.6 -0.949 9.8-152.8-108.8 133.5 -9.3 1.4 6.7 66 68 A V E -EG 57 91B 0 25,-2.4 25,-1.7 -2,-0.4 2,-0.3 -0.934 27.7-152.3 -98.4 123.4 -12.8 2.5 5.8 67 69 A E E -EG 56 90B 47 -11,-2.8 -12,-3.0 -2,-0.6 -11,-1.3 -0.797 8.6-157.5-106.9 147.6 -12.8 6.3 6.3 68 70 A F E -E 54 0B 9 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.762 31.3 -99.2-119.6 156.3 -15.7 8.5 7.2 69 71 A D + 0 0 40 -16,-2.7 -16,-0.3 -2,-0.3 5,-0.3 -0.709 41.4 173.5 -76.2 117.4 -16.4 12.2 6.8 70 72 A D + 0 0 43 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.039 46.3 107.5-115.2 28.5 -15.7 13.6 10.4 71 73 A S S S+ 0 0 80 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.606 89.6 21.6 -81.8 -11.3 -16.1 17.3 9.5 72 74 A Q S S- 0 0 113 -3,-0.3 2,-2.3 3,-0.1 3,-0.4 -0.929 99.4 -84.4-146.3 169.0 -19.3 17.3 11.5 73 75 A D S S+ 0 0 87 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.371 76.4 127.7 -79.2 68.8 -21.1 15.3 14.2 74 76 A K S S+ 0 0 47 -2,-2.3 -23,-0.9 1,-0.3 2,-0.5 0.842 73.9 22.8 -93.2 -45.5 -22.5 12.7 11.8 75 77 A A S S+ 0 0 6 -3,-0.4 13,-2.9 13,-0.2 2,-0.3 -0.961 85.4 166.0-125.7 108.2 -21.5 9.3 13.4 76 78 A V E -DH 48 87B 9 -28,-1.9 -28,-3.0 -2,-0.5 2,-0.4 -0.919 29.9-151.4-129.6 156.1 -20.7 9.7 17.1 77 79 A L E +DH 47 86B 0 9,-2.8 9,-2.3 -2,-0.3 2,-0.3 -0.954 29.1 151.3-119.3 137.6 -20.2 7.7 20.2 78 80 A K E +D 46 0B 72 -32,-2.0 -32,-2.2 -2,-0.4 7,-0.1 -0.946 36.9 43.0-154.7 175.9 -21.1 9.0 23.7 79 81 A G E > S+D 45 0B 25 5,-0.4 3,-2.3 3,-0.4 -34,-0.2 -0.384 72.3 86.1 79.5-161.4 -22.1 7.7 27.1 80 82 A G T 3 S- 0 0 0 -36,-1.6 -37,-1.0 1,-0.3 -1,-0.1 -0.428 121.3 -26.9 64.1-138.8 -20.5 4.6 28.5 81 83 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.395 116.4 112.0 -85.2 2.5 -17.4 5.7 30.4 82 84 A L < - 0 0 14 -3,-2.3 2,-0.5 -39,-0.1 -3,-0.4 -0.533 53.3-157.0 -87.2 146.8 -17.0 8.8 28.1 83 85 A D + 0 0 133 -2,-0.2 2,-0.2 53,-0.1 -5,-0.0 -0.981 69.7 0.9-112.7 120.3 -17.4 12.5 28.8 84 86 A G S S- 0 0 46 -2,-0.5 2,-0.4 39,-0.1 -5,-0.4 -0.452 98.0 -53.3 99.4-179.7 -18.2 14.4 25.6 85 87 A T - 0 0 32 -2,-0.2 38,-2.3 -7,-0.1 2,-0.4 -0.887 40.0-160.7-108.2 135.9 -18.8 13.3 22.1 86 88 A Y E -HI 77 122B 5 -9,-2.3 -9,-2.8 -2,-0.4 2,-0.4 -0.960 13.4-142.4-117.2 131.1 -16.4 11.3 20.0 87 89 A R E -HI 76 121B 43 34,-2.7 34,-1.8 -2,-0.4 2,-0.3 -0.748 18.4-117.0 -97.0 139.7 -16.6 11.3 16.2 88 90 A L E + I 0 120B 2 -13,-2.9 32,-0.2 -2,-0.4 -13,-0.2 -0.533 37.9 165.8 -71.7 132.5 -16.1 8.2 14.0 89 91 A I E - 0 0 33 30,-2.6 -21,-2.6 1,-0.4 2,-0.3 0.713 60.4 -21.1-112.3 -45.5 -13.1 8.7 11.7 90 92 A Q E -GI 67 119B 32 29,-1.0 29,-2.9 -23,-0.2 -1,-0.4 -0.981 48.1-145.8-159.2 161.0 -12.3 5.2 10.4 91 93 A F E +GI 66 118B 0 -25,-1.7 -25,-2.4 -2,-0.3 2,-0.3 -0.960 23.9 163.4-127.5 158.5 -12.8 1.5 11.2 92 94 A H E - I 0 117B 20 25,-2.0 25,-3.1 -2,-0.3 2,-0.3 -0.945 23.8-125.9-163.1 168.1 -10.3 -1.4 10.4 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 23,-0.2 -0.848 0.6-149.1-122.3 165.6 -9.7 -5.0 11.4 94 96 A H E + I 0 115B 3 21,-1.6 21,-2.3 -2,-0.3 2,-0.3 -0.951 33.0 167.9-127.4 132.2 -6.9 -7.2 12.8 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.1 19,-0.2 145,-0.9 -0.960 23.3-118.7-147.3 170.8 -7.0 -10.9 11.7 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.444 22.9-120.4-111.2 176.5 -5.0 -14.1 11.6 97 99 A S S S+ 0 0 45 -2,-0.1 2,-0.3 142,-0.1 5,-0.1 0.565 105.0 28.5 -83.9 -17.6 -3.5 -16.6 9.2 98 100 A L S > S- 0 0 108 3,-0.2 3,-1.5 15,-0.1 -2,-0.2 -0.933 90.0-108.0-139.0 160.5 -5.7 -19.3 10.9 99 101 A D T 3 S+ 0 0 74 -2,-0.3 48,-0.2 1,-0.3 -3,-0.1 0.717 109.8 68.1 -65.6 -22.8 -9.1 -19.2 12.6 100 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.370 107.3 30.0 -78.1 1.8 -7.6 -19.7 16.1 101 103 A Q < + 0 0 51 -3,-1.5 -5,-0.6 12,-0.1 -3,-0.2 -0.953 63.1 99.4-153.3 166.6 -5.9 -16.3 16.2 102 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.065 53.8 108.0 144.1 -32.4 -6.2 -12.8 14.9 103 105 A S - 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