==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(OXO-ACID) 25-MAY-93 1RZA . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.HAKANSSON,A.WEHNERT,A.LILJAS . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11844.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.0 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 . 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 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 0 229 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-129.5 13.7 -0.7 8.9 2 4 A H - 0 0 117 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.552 360.0-102.1 -89.7 152.6 9.9 0.2 9.0 3 5 A W + 0 0 33 -2,-0.2 2,-0.2 1,-0.1 7,-0.2 -0.290 56.0 134.0 -64.7 155.0 7.7 -1.6 11.4 4 6 A G - 0 0 12 5,-2.3 10,-0.1 2,-0.2 58,-0.1 -0.760 64.8 -79.4-169.1-149.0 5.4 -4.4 10.4 5 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.110 83.8 110.4-123.1 21.8 4.4 -7.8 11.7 6 8 A G S > S- 0 0 35 4,-0.1 4,-1.7 1,-0.1 3,-0.3 -0.289 83.4 -96.0 -91.0-176.6 7.3 -9.9 10.4 7 9 A K T 4 S+ 0 0 147 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.823 122.9 40.4 -65.6 -34.9 10.1 -11.6 12.3 8 10 A H T 4 S+ 0 0 160 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.644 130.4 23.4 -94.4 -9.4 12.5 -8.7 11.7 9 11 A N T 4 S+ 0 0 53 -3,-0.3 -5,-2.3 -6,-0.1 -2,-0.2 0.313 93.2 128.5-139.3 16.5 10.2 -5.8 12.3 10 12 A G S >X S- 0 0 0 -4,-1.7 3,-2.7 -7,-0.2 4,-0.7 0.196 78.4 -74.7 -71.1 177.6 7.4 -7.2 14.4 11 13 A P G >4 S+ 0 0 25 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.757 125.9 63.0 -50.8 -31.7 5.9 -6.1 17.7 12 14 A E G 34 S+ 0 0 102 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.666 107.0 45.2 -70.4 -9.4 8.9 -7.3 19.7 13 15 A H G X> S+ 0 0 49 -3,-2.7 3,-1.7 1,-0.1 4,-0.5 0.571 85.2 91.4-105.0 -13.5 11.0 -4.8 17.9 14 16 A W H XX S+ 0 0 5 -3,-0.8 4,-2.7 -4,-0.7 3,-0.9 0.817 72.3 70.6 -56.5 -33.2 8.8 -1.7 18.0 15 17 A H H 34 S+ 0 0 64 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.787 87.0 66.9 -57.3 -26.9 10.2 -0.4 21.3 16 18 A K H <4 S+ 0 0 134 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.909 118.1 22.6 -66.4 -36.2 13.5 0.6 19.5 17 19 A D H << S+ 0 0 112 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.736 135.9 36.7 -97.1 -26.4 11.7 3.3 17.4 18 20 A F >< - 0 0 61 -4,-2.7 3,-2.5 1,-0.1 -1,-0.2 -0.817 64.0-177.3-130.9 83.3 8.7 3.8 19.8 19 21 A P G > S+ 0 0 102 0, 0.0 3,-2.2 0, 0.0 -4,-0.1 0.728 77.2 76.2 -53.7 -25.0 9.9 3.6 23.4 20 22 A I G > S+ 0 0 57 1,-0.3 3,-2.5 179,-0.2 -5,-0.1 0.668 70.6 88.9 -64.1 -11.8 6.3 4.1 24.6 21 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.720 90.2 44.6 -54.9 -26.1 5.9 0.5 23.5 22 24 A K G < S+ 0 0 137 -3,-2.2 -1,-0.3 -7,-0.1 -2,-0.2 0.020 94.1 133.6-108.2 27.9 6.9 -0.5 27.0 23 25 A G < - 0 0 15 -3,-2.5 3,-0.5 1,-0.1 -3,-0.0 0.022 69.7-106.2 -67.6 177.8 4.7 2.2 28.6 24 26 A E S S+ 0 0 115 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.445 112.2 41.2 -86.0 -13.8 2.3 1.9 31.6 25 27 A R S S+ 0 0 47 224,-0.1 -1,-0.2 2,-0.1 2,-0.2 -0.271 79.1 150.2-136.4 52.5 -0.9 1.9 29.6 26 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.465 33.7-105.1 -85.8 150.0 -0.3 -0.2 26.5 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.1 -0.881 75.2 44.7-123.8 161.6 -2.9 -2.2 24.6 28 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.659 64.8 177.5 -79.9 179.5 -4.2 -4.8 23.8 29 31 A V - 0 0 1 216,-0.3 77,-1.1 -2,-0.2 2,-0.4 -0.887 35.5-101.7-135.3 165.0 -4.6 -6.7 27.1 30 32 A D E -a 106 0A 34 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.776 34.5-136.3 -86.4 136.5 -6.1 -10.0 28.2 31 33 A I E -a 107 0A 0 75,-3.1 77,-3.2 -2,-0.4 2,-0.8 -0.861 12.5-159.6 -99.6 107.6 -9.5 -9.5 29.8 32 34 A D >> - 0 0 65 -2,-0.8 4,-1.1 75,-0.2 3,-0.9 -0.822 4.2-160.6 -87.6 109.9 -9.7 -11.7 32.9 33 35 A T T 34 S+ 0 0 47 -2,-0.8 -1,-0.1 1,-0.3 222,-0.0 0.740 85.6 54.6 -69.1 -23.0 -13.5 -11.9 33.4 34 36 A H T 34 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.645 113.1 42.8 -85.6 -15.8 -13.3 -12.9 37.1 35 37 A T T <4 S+ 0 0 102 -3,-0.9 218,-0.2 2,-0.1 -2,-0.2 0.523 86.1 104.7-105.0 -15.8 -11.2 -9.9 38.0 36 38 A A S < S- 0 0 19 -4,-1.1 2,-0.5 216,-0.1 218,-0.2 -0.529 71.9-129.5 -64.2 138.6 -13.0 -7.2 35.9 37 39 A K E -c 254 0B 117 216,-2.2 218,-3.0 -2,-0.2 2,-0.4 -0.823 9.4-129.1 -99.2 123.3 -15.1 -5.1 38.4 38 40 A Y E -c 255 0B 80 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.584 25.1-162.5 -65.4 130.2 -18.8 -4.5 37.6 39 41 A D > - 0 0 28 216,-2.7 3,-1.8 -2,-0.4 -1,-0.1 -0.915 13.8-169.3-122.7 107.9 -19.3 -0.7 37.8 40 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.566 83.8 68.1 -71.6 -8.8 -23.0 0.3 38.2 41 43 A S T 3 S+ 0 0 83 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.513 75.5 101.0 -87.5 -11.4 -22.0 3.9 37.6 42 44 A L < - 0 0 28 -3,-1.8 3,-0.1 213,-0.2 -3,-0.0 -0.671 69.1-138.6 -76.2 136.8 -21.1 3.3 34.0 43 45 A K - 0 0 122 37,-1.1 39,-0.1 -2,-0.4 2,-0.1 -0.388 26.7 -89.7 -89.6 164.2 -23.9 4.4 31.6 44 46 A P - 0 0 112 0, 0.0 36,-1.7 0, 0.0 2,-0.2 -0.407 50.9-104.0 -66.9 150.0 -25.1 2.5 28.5 45 47 A L E -D 79 0B 16 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.531 25.4-146.1 -74.4 156.9 -23.2 3.4 25.4 46 48 A S E -D 78 0B 49 32,-2.7 32,-2.4 -2,-0.2 2,-0.5 -0.989 15.7-175.6-128.6 109.4 -25.0 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 -0.971 2.8-179.5-104.8 110.2 -24.0 4.8 19.2 48 50 A S E +D 76 0B 34 28,-3.0 28,-2.1 -2,-0.5 3,-0.2 -0.847 24.8 141.2-116.7 94.6 -25.5 7.2 16.7 49 51 A Y > + 0 0 3 -2,-0.6 3,-1.4 26,-0.2 130,-0.2 0.168 34.3 106.7-115.3 12.8 -24.5 6.1 13.3 50 52 A D T 3 S+ 0 0 101 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.779 87.1 43.2 -67.2 -24.1 -27.6 6.8 11.3 51 53 A Q T 3 S+ 0 0 128 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.254 84.0 143.6-103.1 11.3 -26.1 9.8 9.6 52 54 A A < - 0 0 23 -3,-1.4 2,-0.5 22,-0.2 18,-0.1 -0.123 34.2-159.8 -50.0 136.4 -22.7 8.1 8.9 53 55 A T - 0 0 48 16,-0.3 16,-2.7 122,-0.1 2,-0.2 -0.886 3.7-163.9-122.1 104.2 -21.0 9.1 5.6 54 56 A S E +E 68 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.509 11.6 174.6 -82.8 154.8 -18.3 6.6 4.4 55 57 A L E - 0 0 76 12,-3.1 118,-2.1 1,-0.4 2,-0.3 0.676 50.8 -7.0-125.8 -39.3 -16.0 8.0 1.8 56 58 A R E -EF 67 172B 87 11,-1.1 11,-2.9 116,-0.3 2,-0.4 -0.986 44.9-135.9-160.9 160.3 -13.2 5.6 0.9 57 59 A I E -EF 66 171B 0 114,-2.8 114,-2.3 -2,-0.3 2,-0.4 -0.984 28.5-173.4-125.1 138.3 -11.4 2.3 1.7 58 60 A L E -EF 65 170B 29 7,-2.2 7,-2.3 -2,-0.4 2,-0.7 -0.996 27.6-141.6-138.2 140.7 -7.6 2.2 1.7 59 61 A N E +E 64 0B 0 110,-2.9 109,-2.8 -2,-0.4 5,-0.2 -0.863 23.4 179.7 -94.4 113.3 -4.9 -0.5 2.0 60 62 A N - 0 0 33 3,-2.2 4,-0.1 -2,-0.7 -1,-0.1 0.281 53.3-100.1-101.6 11.2 -2.3 1.3 4.1 61 63 A G S S+ 0 0 11 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.279 116.9 53.7 92.9 -14.0 0.1 -1.5 4.2 62 64 A H S S- 0 0 47 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.501 124.0 -28.5-124.6 -19.0 -0.8 -2.8 7.7 63 65 A A S S- 0 0 2 164,-0.1 -3,-2.2 -5,-0.1 -1,-0.6 -0.881 71.1 -89.2-167.9-168.7 -4.6 -3.2 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.3 2,-0.4 -0.984 35.7-158.1-120.3 134.4 -7.5 -1.7 5.4 65 67 A N E -E 58 0B 19 -7,-2.3 -7,-2.2 -2,-0.4 2,-0.5 -0.940 10.3-152.1-109.7 139.6 -9.3 1.4 6.7 66 68 A V E -EG 57 91B 0 25,-2.6 25,-1.7 -2,-0.4 2,-0.3 -0.933 27.9-151.2-100.4 126.4 -12.8 2.5 5.7 67 69 A E E -EG 56 90B 49 -11,-2.9 -12,-3.1 -2,-0.5 -11,-1.1 -0.782 9.7-158.6-105.8 150.7 -12.8 6.3 6.3 68 70 A F E -E 54 0B 8 21,-2.6 2,-0.7 -2,-0.3 -14,-0.2 -0.810 31.2 -99.6-122.1 158.1 -15.7 8.5 7.2 69 71 A D + 0 0 40 -16,-2.7 -16,-0.3 -2,-0.3 5,-0.2 -0.727 40.1 174.6 -77.7 118.4 -16.4 12.2 6.8 70 72 A D + 0 0 44 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 0.003 45.8 108.8-114.3 23.8 -15.7 13.6 10.4 71 73 A S S S+ 0 0 78 2,-0.0 2,-0.3 56,-0.0 -1,-0.1 0.588 88.6 17.7 -77.3 -7.4 -16.2 17.3 9.5 72 74 A Q S S- 0 0 116 -3,-0.2 2,-2.2 3,-0.1 3,-0.4 -0.936 100.0 -80.4-154.0 168.4 -19.4 17.3 11.5 73 75 A D S S+ 0 0 90 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.421 77.4 127.7 -76.8 69.6 -21.2 15.3 14.2 74 76 A K S S+ 0 0 51 -2,-2.2 -23,-0.8 1,-0.3 2,-0.5 0.880 75.0 22.3 -90.2 -52.4 -22.6 12.7 11.8 75 77 A A S S+ 0 0 5 -3,-0.4 13,-2.8 -6,-0.2 2,-0.3 -0.969 85.3 165.6-121.0 110.7 -21.5 9.3 13.3 76 78 A V E -DH 48 87B 9 -28,-2.1 -28,-3.0 -2,-0.5 2,-0.4 -0.901 29.8-152.6-132.6 158.3 -20.8 9.7 17.1 77 79 A L E +DH 47 86B 0 9,-2.8 9,-2.2 -2,-0.3 2,-0.3 -0.972 28.5 151.4-121.6 137.7 -20.3 7.7 20.2 78 80 A K E +D 46 0B 70 -32,-2.4 -32,-2.7 -2,-0.4 7,-0.1 -0.934 37.2 42.7-154.0 177.9 -21.1 9.0 23.7 79 81 A G E > S+D 45 0B 22 5,-0.4 3,-2.4 3,-0.3 -34,-0.3 -0.372 71.8 86.7 78.2-156.6 -22.2 7.7 27.1 80 82 A G T 3 S- 0 0 0 -36,-1.7 -37,-1.1 1,-0.3 -1,-0.1 -0.399 121.5 -28.0 60.1-138.4 -20.5 4.6 28.6 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.312 115.6 111.6 -90.1 9.4 -17.4 5.8 30.4 82 84 A L < - 0 0 13 -3,-2.4 2,-0.5 -39,-0.1 -3,-0.3 -0.619 53.6-154.9 -91.2 151.3 -17.0 8.8 28.1 83 85 A D + 0 0 129 -2,-0.2 2,-0.1 53,-0.1 -3,-0.0 -0.966 69.4 0.8-112.4 126.2 -17.4 12.5 28.8 84 86 A G S S- 0 0 47 -2,-0.5 2,-0.4 39,-0.1 -5,-0.4 -0.389 98.2 -51.5 91.5 179.0 -18.3 14.4 25.6 85 87 A T - 0 0 32 -7,-0.1 38,-2.6 -2,-0.1 2,-0.4 -0.896 40.2-160.6-106.2 137.5 -18.8 13.4 22.1 86 88 A Y E -HI 77 122B 4 -9,-2.2 -9,-2.8 -2,-0.4 2,-0.4 -0.962 11.7-145.7-120.2 124.8 -16.5 11.3 20.0 87 89 A R E -HI 76 121B 45 34,-2.2 34,-2.0 -2,-0.4 2,-0.3 -0.766 19.8-117.1 -92.2 136.3 -16.8 11.3 16.2 88 90 A L E + I 0 120B 2 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.2 -0.513 36.7 167.7 -70.5 133.3 -16.1 8.2 14.1 89 91 A I E - 0 0 33 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.705 60.5 -22.6-113.3 -42.4 -13.1 8.7 11.7 90 92 A Q E -GI 67 119B 33 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.986 47.5-144.2-161.7 162.5 -12.4 5.2 10.5 91 93 A F E +GI 66 118B 0 -25,-1.7 -25,-2.6 -2,-0.3 2,-0.3 -0.958 23.6 164.2-128.0 158.2 -12.8 1.4 11.2 92 94 A H E - I 0 117B 23 25,-1.8 25,-3.0 -2,-0.3 2,-0.3 -0.917 23.1-127.5-161.0 169.1 -10.3 -1.4 10.4 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.890 0.3-148.4-123.4 168.0 -9.7 -5.0 11.4 94 96 A H E + I 0 115B 3 21,-1.9 21,-2.2 -2,-0.3 2,-0.3 -0.967 32.0 169.6-129.3 135.7 -6.9 -7.2 12.8 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.6 -0.925 22.9-120.4-148.9 169.9 -6.9 -10.9 11.6 96 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.6 3,-0.1 -0.468 23.6-120.7-112.2 177.0 -5.0 -14.1 11.6 97 99 A S S S+ 0 0 46 -2,-0.2 2,-0.3 142,-0.1 5,-0.1 0.565 104.9 30.7 -84.5 -14.9 -3.6 -16.6 9.2 98 100 A L S > S- 0 0 110 3,-0.2 3,-1.7 15,-0.1 -2,-0.2 -0.960 89.6-109.6-138.2 157.5 -5.8 -19.3 10.9 99 101 A D T 3 S+ 0 0 69 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.705 109.5 66.2 -66.8 -18.8 -9.2 -19.1 12.6 100 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.343 108.0 33.7 -87.5 10.9 -7.7 -19.7 16.1 101 103 A Q < + 0 0 52 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.2 -0.978 64.5 95.3-154.6 165.6 -5.9 -16.4 16.2 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.042 56.7 105.9 142.9 -37.1 -6.3 -12.8 14.9 103 105 A S - 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