==== 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) 26-FEB-93 1CAZ . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.HAKANSSON,C.BRIAND,V.ZAITSEV,Y.XUE,A.LILJAS . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.0 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 . 23 8.9 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 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 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 3 A H 0 0 226 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-123.1 13.7 -0.9 9.2 2 4 A H - 0 0 113 1,-0.1 0, 0.0 15,-0.0 0, 0.0 -0.593 360.0 -97.4 -89.2 148.0 10.0 0.2 9.2 3 5 A W + 0 0 32 -2,-0.2 2,-0.3 1,-0.1 7,-0.2 -0.148 60.2 129.1 -56.2 146.4 7.6 -1.5 11.5 4 6 A G - 0 0 12 5,-2.4 10,-0.1 2,-0.2 -1,-0.1 -0.782 67.4 -79.0-168.0-150.7 5.3 -4.3 10.4 5 7 A Y S S+ 0 0 35 -2,-0.3 5,-0.2 5,-0.2 237,-0.1 0.164 83.3 110.4-120.9 18.0 4.5 -7.8 11.4 6 8 A G S > S- 0 0 38 4,-0.1 4,-1.7 1,-0.1 -2,-0.2 -0.264 83.6 -97.2 -85.7-179.6 7.4 -9.8 10.1 7 9 A K T 4 S+ 0 0 137 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.802 124.0 43.0 -64.3 -31.7 10.2 -11.6 12.0 8 10 A H T 4 S+ 0 0 158 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.694 129.1 21.9 -93.8 -18.4 12.5 -8.6 11.4 9 11 A N T 4 S+ 0 0 51 -3,-0.2 -5,-2.4 -6,-0.1 -2,-0.2 0.257 94.8 126.4-134.8 18.9 10.1 -5.7 12.1 10 12 A G S >X S- 0 0 0 -4,-1.7 3,-2.8 -7,-0.2 4,-0.5 0.095 79.2 -72.5 -72.4 174.7 7.4 -7.3 14.3 11 13 A P G >4 S+ 0 0 23 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.713 125.4 63.2 -43.2 -37.9 6.0 -6.4 17.6 12 14 A E G 34 S+ 0 0 91 1,-0.3 3,-0.1 2,-0.1 -5,-0.0 0.693 107.7 44.3 -67.7 -12.7 9.1 -7.5 19.5 13 15 A H G X> S+ 0 0 48 -3,-2.8 3,-1.8 1,-0.1 4,-0.6 0.563 84.4 91.2-105.8 -13.6 11.1 -4.8 17.8 14 16 A W H XX S+ 0 0 4 -3,-0.8 4,-2.2 -4,-0.5 3,-1.1 0.840 73.5 70.5 -54.7 -34.6 8.8 -1.8 18.0 15 17 A H H 34 S+ 0 0 65 -4,-0.5 -1,-0.3 1,-0.2 7,-0.1 0.727 86.9 67.0 -55.5 -25.7 10.2 -0.5 21.2 16 18 A K H <4 S+ 0 0 135 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 117.7 23.3 -67.3 -37.7 13.5 0.5 19.4 17 19 A D H << S+ 0 0 108 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.669 134.7 38.1 -98.8 -15.5 11.7 3.2 17.4 18 20 A F >< - 0 0 60 -4,-2.2 3,-2.4 1,-0.1 -1,-0.2 -0.796 62.7-177.2-137.1 82.5 8.7 3.8 19.8 19 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.722 77.5 76.9 -56.3 -22.8 9.9 3.5 23.4 20 22 A I G > S+ 0 0 55 1,-0.3 3,-2.8 179,-0.2 -5,-0.1 0.693 70.8 87.9 -63.2 -12.2 6.3 4.0 24.5 21 23 A A G < S+ 0 0 5 -3,-2.4 -1,-0.3 1,-0.3 -6,-0.1 0.731 90.8 45.4 -53.2 -29.9 5.9 0.3 23.5 22 24 A K G < S+ 0 0 142 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 0.094 93.8 130.5-102.6 19.0 7.1 -0.5 27.1 23 25 A G S < S- 0 0 18 -3,-2.8 3,-0.5 1,-0.1 -3,-0.0 0.035 70.8-107.1 -66.5-179.9 4.8 2.1 28.6 24 26 A E S S+ 0 0 117 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.466 110.9 42.1 -90.7 -5.5 2.3 1.8 31.5 25 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 2,-0.1 2,-0.2 -0.218 79.1 150.1-141.4 51.4 -0.9 1.9 29.5 26 28 A Q - 0 0 4 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.455 34.3-101.6 -86.9 152.1 -0.2 -0.3 26.5 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.1 -2,-0.2 -2,-0.1 -0.874 75.7 42.8-124.5 154.3 -2.8 -2.3 24.5 28 30 A P + 0 0 0 0, 0.0 218,-3.0 0, 0.0 2,-0.3 0.597 64.1 178.2 -85.0 179.5 -4.0 -4.9 23.8 29 31 A V - 0 0 1 216,-0.3 77,-1.4 -2,-0.1 2,-0.5 -0.904 34.9-103.5-132.6 164.3 -4.6 -6.8 27.1 30 32 A D E -a 106 0A 31 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.778 34.3-135.7 -89.2 132.4 -6.1 -10.1 28.2 31 33 A I E -a 107 0A 0 75,-3.4 77,-3.3 -2,-0.5 2,-0.8 -0.848 13.2-158.5 -92.3 111.1 -9.5 -9.5 29.8 32 34 A D >> - 0 0 67 -2,-0.8 3,-1.1 75,-0.2 4,-1.0 -0.799 3.6-161.6 -87.2 108.1 -9.7 -11.6 32.9 33 35 A T T 34 S+ 0 0 48 -2,-0.8 -1,-0.1 1,-0.3 222,-0.0 0.757 85.1 54.7 -68.8 -21.3 -13.4 -11.9 33.4 34 36 A H T 34 S+ 0 0 158 1,-0.2 -1,-0.3 -3,-0.0 -2,-0.0 0.588 113.7 41.0 -88.8 -5.8 -13.2 -12.9 37.1 35 37 A T T <4 S+ 0 0 100 -3,-1.1 218,-0.2 2,-0.1 2,-0.2 0.486 85.6 106.5-117.3 -6.6 -11.2 -9.9 38.0 36 38 A A S < S- 0 0 20 -4,-1.0 2,-0.6 216,-0.1 218,-0.2 -0.561 71.8-127.7 -70.2 135.5 -13.0 -7.3 35.9 37 39 A K E -c 254 0B 120 216,-2.2 218,-2.9 -2,-0.2 2,-0.2 -0.830 8.9-130.4 -96.1 118.7 -15.0 -5.1 38.3 38 40 A Y E -c 255 0B 76 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.486 26.1-167.8 -62.7 130.0 -18.7 -4.6 37.6 39 41 A D > - 0 0 28 216,-2.9 3,-1.9 -2,-0.2 -1,-0.1 -0.848 13.8-171.7-126.0 106.1 -19.2 -0.8 37.8 40 42 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.495 81.3 73.1 -76.7 2.7 -22.9 0.2 37.9 41 43 A S T 3 S+ 0 0 97 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.453 74.3 102.9 -87.9 -9.3 -21.9 3.9 37.6 42 44 A L S < S- 0 0 28 -3,-1.9 3,-0.1 213,-0.2 -3,-0.0 -0.716 70.1-136.3 -79.0 132.2 -21.0 3.2 33.9 43 45 A K - 0 0 132 37,-1.1 2,-0.1 -2,-0.4 39,-0.1 -0.277 27.1 -93.1 -81.4 162.9 -23.7 4.5 31.5 44 46 A P - 0 0 109 0, 0.0 36,-1.5 0, 0.0 2,-0.2 -0.456 50.0-103.8 -71.5 152.0 -25.0 2.6 28.5 45 47 A L E -D 79 0B 17 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.577 26.6-147.1 -75.2 155.8 -23.2 3.4 25.4 46 48 A S E -D 78 0B 48 32,-2.7 32,-2.0 -2,-0.2 2,-0.6 -0.976 14.7-175.0-123.9 109.6 -24.8 5.7 22.9 47 49 A V E -D 77 0B 35 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.950 2.5-178.2-107.2 111.0 -23.9 4.9 19.2 48 50 A S E +D 76 0B 34 28,-3.0 28,-2.0 -2,-0.6 3,-0.2 -0.858 24.0 143.0-112.8 96.0 -25.4 7.4 16.7 49 51 A Y > + 0 0 2 -2,-0.7 3,-1.4 26,-0.2 130,-0.2 0.139 33.2 108.3-112.2 14.5 -24.5 6.3 13.3 50 52 A D T 3 S+ 0 0 106 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.773 86.5 42.6 -68.0 -21.4 -27.6 7.1 11.3 51 53 A Q T 3 S+ 0 0 126 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.230 82.8 145.5-106.2 10.8 -25.9 10.0 9.5 52 54 A A < - 0 0 24 -3,-1.4 2,-0.5 22,-0.1 123,-0.1 -0.192 32.3-161.7 -49.7 132.6 -22.6 8.2 8.9 53 55 A T - 0 0 47 16,-0.3 16,-3.1 122,-0.1 2,-0.2 -0.901 2.7-163.0-123.6 103.6 -21.0 9.1 5.6 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.5 122,-0.3 14,-0.3 -0.494 13.1 172.8 -80.4 147.3 -18.4 6.6 4.4 55 57 A L E - 0 0 78 12,-3.4 118,-2.6 1,-0.4 2,-0.3 0.784 50.3 -4.9-120.1 -46.6 -16.0 8.0 1.8 56 58 A R E -EF 67 172B 84 11,-1.1 11,-3.1 116,-0.3 -1,-0.4 -0.975 43.7-138.4-151.9 161.0 -13.2 5.6 0.9 57 59 A I E -EF 66 171B 0 114,-2.5 114,-2.1 -2,-0.3 2,-0.4 -0.977 27.7-175.8-124.0 137.6 -11.5 2.4 1.6 58 60 A L E -EF 65 170B 31 7,-2.4 7,-2.6 -2,-0.4 2,-0.7 -0.991 28.2-141.8-137.1 141.6 -7.6 2.2 1.6 59 61 A N E -E 64 0B 0 110,-3.0 109,-3.0 -2,-0.4 5,-0.2 -0.862 22.9-179.1 -96.6 113.4 -5.0 -0.5 2.0 60 62 A N - 0 0 29 3,-2.0 -1,-0.1 -2,-0.7 4,-0.1 0.278 54.1 -97.5 -98.1 6.5 -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 0.277 118.0 53.4 94.0 -7.4 0.1 -1.5 4.2 62 64 A H S S- 0 0 51 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.560 122.8 -25.1-132.7 -9.4 -0.9 -2.7 7.6 63 65 A A S S- 0 0 3 -5,-0.1 -3,-2.0 165,-0.1 -1,-0.6 -0.899 71.7 -91.2-174.5-171.4 -4.7 -3.2 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.3 2,-0.5 -0.970 36.8-155.6-122.1 130.7 -7.5 -1.7 5.3 65 67 A N E -E 58 0B 18 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.6 -0.957 9.7-153.9-109.6 138.3 -9.3 1.4 6.6 66 68 A V E -EG 57 91B 0 25,-2.6 25,-1.8 -2,-0.5 2,-0.3 -0.935 27.3-152.4-103.3 122.7 -12.9 2.5 5.7 67 69 A E E -EG 56 90B 49 -11,-3.1 -12,-3.4 -2,-0.6 -11,-1.1 -0.756 10.0-160.4-106.5 143.5 -12.8 6.3 6.2 68 70 A F E -E 54 0B 9 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.795 31.9 -97.8-118.9 159.7 -15.7 8.5 7.1 69 71 A D + 0 0 39 -16,-3.1 -16,-0.3 -2,-0.3 5,-0.3 -0.697 40.8 171.7 -78.1 115.9 -16.5 12.2 6.9 70 72 A D + 0 0 42 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.116 44.5 110.3-116.3 29.3 -15.7 13.6 10.4 71 73 A S S S+ 0 0 78 1,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.569 89.5 14.8 -80.1 -7.7 -16.0 17.3 9.4 72 74 A Q S S- 0 0 111 -3,-0.2 2,-2.1 3,-0.1 3,-0.4 -0.949 100.0 -77.7-156.4 168.4 -19.2 17.4 11.6 73 75 A D S S+ 0 0 89 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.381 77.7 126.7 -73.3 65.0 -21.1 15.4 14.2 74 76 A K S S+ 0 0 51 -2,-2.1 -23,-0.9 1,-0.3 2,-0.4 0.792 75.9 21.6 -88.8 -45.5 -22.5 12.8 11.8 75 77 A A S S+ 0 0 6 -3,-0.4 13,-2.6 -24,-0.2 2,-0.3 -0.947 84.6 164.5-131.1 108.9 -21.4 9.4 13.4 76 78 A V E -DH 48 87B 9 -28,-2.0 -28,-3.0 -2,-0.4 2,-0.4 -0.912 30.1-149.8-133.5 157.6 -20.7 9.8 17.1 77 79 A L E +DH 47 86B 0 9,-3.0 9,-2.5 -2,-0.3 2,-0.3 -0.974 28.8 154.9-121.6 137.7 -20.2 7.7 20.2 78 80 A K E +D 46 0B 70 -32,-2.0 -32,-2.7 -2,-0.4 7,-0.1 -0.881 37.2 38.4-152.0 176.5 -21.1 9.0 23.7 79 81 A G E > S+D 45 0B 18 5,-0.3 3,-2.1 3,-0.3 -34,-0.3 -0.346 71.9 89.9 73.2-156.5 -22.0 7.8 27.1 80 82 A G T 3 S- 0 0 4 -36,-1.5 -37,-1.1 1,-0.3 -1,-0.1 -0.427 120.7 -28.0 62.8-139.0 -20.4 4.6 28.5 81 83 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.335 117.1 114.4 -82.1 0.5 -17.2 5.7 30.4 82 84 A L < - 0 0 10 -3,-2.1 2,-0.5 -39,-0.1 -3,-0.3 -0.515 51.6-159.6 -83.5 151.5 -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 -0.994 69.2 4.4-121.8 115.2 -17.3 12.5 28.7 84 86 A G S S- 0 0 45 -2,-0.5 2,-0.4 39,-0.1 -5,-0.3 -0.433 97.9 -55.1 99.5 176.0 -18.0 14.5 25.5 85 87 A T - 0 0 33 -2,-0.2 38,-2.5 -7,-0.1 2,-0.5 -0.848 40.6-157.2-102.7 133.7 -18.7 13.4 22.0 86 88 A Y E -HI 77 122B 5 -9,-2.5 -9,-3.0 -2,-0.4 2,-0.4 -0.972 11.0-145.6-116.5 125.5 -16.4 11.2 20.0 87 89 A R E -HI 76 121B 42 34,-2.2 34,-2.3 -2,-0.5 2,-0.3 -0.764 17.8-120.4 -92.4 131.8 -16.6 11.3 16.2 88 90 A L E + I 0 120B 2 -13,-2.6 32,-0.2 -2,-0.4 -13,-0.2 -0.585 36.5 166.2 -74.2 132.6 -16.0 8.2 14.0 89 91 A I E - 0 0 35 30,-2.6 -21,-2.6 1,-0.4 2,-0.3 0.676 60.9 -19.7-112.3 -43.9 -13.1 8.7 11.7 90 92 A Q E -GI 67 119B 30 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.993 48.0-147.6-160.7 161.6 -12.3 5.2 10.4 91 93 A F E +GI 66 118B 0 -25,-1.8 -25,-2.6 -2,-0.3 2,-0.3 -0.974 24.0 160.9-130.4 153.0 -12.8 1.4 11.1 92 94 A H E - I 0 117B 20 25,-1.9 25,-3.2 -2,-0.3 2,-0.3 -0.950 25.7-122.9-158.5 175.9 -10.4 -1.4 10.3 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.770 1.4-150.1-126.5 165.8 -9.7 -5.0 11.4 94 96 A H E + I 0 115B 4 21,-1.4 21,-2.3 -2,-0.3 2,-0.3 -0.952 33.7 167.0-126.7 135.9 -6.9 -7.1 12.8 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.1 19,-0.2 145,-0.7 -0.927 24.5-115.2-148.9 174.4 -7.0 -10.8 11.7 96 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.6 3,-0.1 -0.454 22.3-121.2-111.8 175.7 -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 0.616 104.9 27.2 -83.9 -15.2 -3.5 -16.5 9.2 98 100 A L S > S- 0 0 111 3,-0.2 3,-1.5 15,-0.1 -2,-0.2 -0.930 91.4-105.4-140.4 160.0 -5.7 -19.2 10.9 99 101 A D T 3 S+ 0 0 68 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.704 109.2 67.7 -66.4 -21.2 -9.1 -19.1 12.7 100 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.357 106.6 30.4 -82.4 5.0 -7.6 -19.6 16.1 101 103 A Q < + 0 0 51 -3,-1.5 -5,-0.6 12,-0.1 -3,-0.2 -0.968 65.0 96.0-152.9 166.4 -5.9 -16.3 16.3 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.064 55.6 105.9 141.7 -32.8 -6.2 -12.7 15.0 103 105 A S - 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