==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 06-NOV-09 3KKX . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.Z.FISHER,P.A.LANGAN . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12257.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.2 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 22 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 6.2 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 3 A H 0 0 219 0, 0.0 2,-0.3 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 157.5 12.8 -0.3 6.2 2 4 A H - 0 0 127 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.998 360.0 -59.1 177.7 166.2 10.0 -0.2 8.8 3 5 A W + 0 0 38 -2,-0.3 2,-0.2 1,-0.1 7,-0.2 -0.324 58.2 128.9 -74.7 157.4 7.8 -1.9 11.4 4 6 A G - 0 0 9 5,-2.4 10,-0.1 2,-0.1 -1,-0.1 -0.792 65.7 -80.3-168.2-146.3 5.4 -4.7 10.5 5 7 A Y S S+ 0 0 30 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.192 82.9 110.1-125.9 14.9 4.4 -8.2 11.6 6 8 A G S > S- 0 0 38 1,-0.1 4,-1.0 4,-0.1 3,-0.3 -0.152 84.4 -92.0 -83.9-177.3 7.1 -10.2 10.0 7 9 A K T 4 S+ 0 0 174 1,-0.2 3,-0.1 2,-0.2 -1,-0.1 0.832 122.9 38.0 -64.9 -33.6 10.0 -12.1 11.7 8 10 A H T 4 S+ 0 0 155 1,-0.1 -1,-0.2 5,-0.0 -3,-0.0 0.601 130.0 25.7 -99.5 -9.3 12.5 -9.3 11.5 9 11 A N T 4 S+ 0 0 63 -3,-0.3 -5,-2.4 -6,-0.1 -2,-0.2 0.189 89.2 124.3-138.5 19.6 10.2 -6.3 12.2 10 12 A G S >X S- 0 0 4 -4,-1.0 3,-3.0 -5,-0.2 4,-0.6 -0.018 79.7 -67.3 -83.6-173.4 7.2 -7.6 14.2 11 13 A P G >4 S+ 0 0 22 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.724 126.6 61.9 -47.1 -35.1 5.8 -6.6 17.6 12 14 A E G 34 S+ 0 0 143 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.649 108.6 45.8 -68.3 -12.8 8.9 -7.8 19.7 13 15 A H G X4 S+ 0 0 63 -3,-3.0 3,-1.8 1,-0.1 4,-0.5 0.592 85.9 89.6-100.0 -15.6 11.0 -5.3 17.8 14 16 A W G XX S+ 0 0 4 -3,-0.8 4,-2.5 -4,-0.6 3,-1.1 0.789 72.9 70.5 -60.9 -30.8 8.7 -2.2 17.9 15 17 A H G 34 S+ 0 0 64 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.767 87.7 66.0 -59.9 -23.9 10.2 -0.9 21.2 16 18 A K G <4 S+ 0 0 136 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.892 117.2 24.5 -68.4 -33.8 13.5 0.0 19.5 17 19 A D T <4 S+ 0 0 109 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.731 135.5 35.8 -96.4 -24.1 11.7 2.7 17.4 18 20 A F >< - 0 0 52 -4,-2.5 3,-2.5 1,-0.1 -1,-0.2 -0.768 63.9-177.5-130.3 81.5 8.8 3.3 19.7 19 21 A P G > S+ 0 0 103 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.759 76.7 76.2 -59.5 -20.9 9.9 3.0 23.4 20 22 A I G > S+ 0 0 63 1,-0.3 3,-2.4 179,-0.2 -5,-0.1 0.678 72.4 87.7 -63.3 -12.5 6.3 3.6 24.6 21 23 A A G < S+ 0 0 3 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.781 89.9 46.4 -54.6 -25.5 5.8 -0.0 23.5 22 24 A K G < S+ 0 0 144 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.1 0.016 95.7 130.7-104.6 29.3 7.0 -1.0 27.0 23 25 A G S < S- 0 0 14 -3,-2.4 3,-0.5 1,-0.1 -3,-0.0 0.038 70.8-102.9 -77.4-174.8 4.7 1.6 28.6 24 26 A E S S+ 0 0 124 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.540 111.8 36.4 -88.6 -12.1 2.3 1.5 31.5 25 27 A R S S+ 0 0 62 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.232 79.6 152.1-141.9 53.0 -1.0 1.4 29.6 26 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.482 33.8-100.2 -84.0 154.8 -0.3 -0.6 26.4 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.871 76.4 40.9-124.6 159.5 -2.9 -2.6 24.5 28 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.608 64.1 176.5 -83.2-177.7 -4.1 -5.2 23.8 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.919 36.2 -99.9-137.6 165.2 -4.6 -7.2 27.0 30 32 A D E -a 106 0A 32 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.749 34.6-136.8 -82.4 131.5 -6.1 -10.5 28.2 31 33 A I E -a 107 0A 0 75,-3.0 77,-2.3 -2,-0.4 2,-0.8 -0.852 12.1-157.6 -92.4 104.0 -9.5 -9.9 29.7 32 34 A D >> - 0 0 64 -2,-0.9 3,-1.2 75,-0.2 4,-1.2 -0.786 4.1-160.0 -80.8 107.0 -9.6 -12.1 32.8 33 35 A T T 34 S+ 0 0 48 -2,-0.8 -1,-0.2 1,-0.3 222,-0.0 0.683 86.6 51.2 -70.5 -19.8 -13.4 -12.5 33.2 34 36 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.3 3,-0.0 -2,-0.0 0.564 112.9 45.6 -87.8 -12.3 -13.2 -13.4 36.9 35 37 A T T <4 S+ 0 0 104 -3,-1.2 -2,-0.2 2,-0.1 218,-0.2 0.512 86.9 105.9-105.5 -16.4 -11.0 -10.5 37.8 36 38 A A S < S- 0 0 19 -4,-1.2 2,-0.6 216,-0.1 218,-0.2 -0.455 70.5-128.3 -67.7 141.6 -13.0 -7.8 35.9 37 39 A K E -c 254 0B 132 216,-2.4 218,-2.3 -2,-0.1 2,-0.3 -0.836 9.2-132.3 -99.8 118.9 -15.0 -5.6 38.2 38 40 A Y E -c 255 0B 91 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.509 24.1-162.6 -60.9 126.1 -18.7 -5.1 37.6 39 41 A D > - 0 0 26 216,-2.7 3,-2.0 -2,-0.3 -1,-0.1 -0.891 13.2-168.0-120.1 107.9 -19.3 -1.3 37.8 40 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.672 84.5 66.8 -65.0 -16.8 -22.9 -0.2 38.3 41 43 A S T 3 S+ 0 0 68 2,-0.1 2,-0.3 40,-0.0 215,-0.1 0.628 76.2 109.3 -85.8 -4.3 -22.1 3.3 37.6 42 44 A L < - 0 0 28 -3,-2.0 3,-0.1 213,-0.2 38,-0.0 -0.517 63.0-141.5 -72.9 133.0 -21.3 2.5 34.0 43 45 A K - 0 0 122 37,-0.9 39,-0.1 -2,-0.3 -1,-0.1 -0.459 24.6 -93.5 -88.6 157.2 -23.8 3.7 31.5 44 46 A P - 0 0 112 0, 0.0 36,-1.9 0, 0.0 -1,-0.1 -0.426 48.5-100.7 -64.2 151.6 -25.1 1.9 28.4 45 47 A L E -D 79 0B 15 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.447 27.5-148.9 -64.9 145.9 -23.3 2.7 25.2 46 48 A S E -D 78 0B 50 32,-2.7 32,-2.1 -2,-0.1 2,-0.6 -0.955 16.3-176.9-119.4 106.8 -25.0 5.2 22.8 47 49 A V E -D 77 0B 35 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.921 4.6-178.4-103.4 115.7 -24.1 4.4 19.2 48 50 A S E +D 76 0B 41 28,-2.9 28,-2.0 -2,-0.6 3,-0.1 -0.867 25.1 142.2-118.9 91.9 -25.6 6.8 16.7 49 51 A Y > + 0 0 3 -2,-0.6 3,-1.4 26,-0.2 130,-0.2 0.242 34.4 107.0-113.8 8.9 -24.5 5.6 13.3 50 52 A D T 3 S+ 0 0 77 1,-0.3 25,-0.1 -3,-0.1 -1,-0.1 0.808 87.7 40.1 -63.2 -31.6 -27.8 6.4 11.3 51 53 A Q T 3 S+ 0 0 143 23,-0.8 -1,-0.3 -3,-0.1 24,-0.2 0.165 83.9 145.0-103.3 22.8 -26.2 9.4 9.5 52 54 A A < - 0 0 24 -3,-1.4 2,-0.5 22,-0.2 123,-0.1 -0.301 34.2-157.6 -61.1 143.0 -22.7 7.8 8.9 53 55 A T - 0 0 46 16,-0.3 16,-2.7 122,-0.1 2,-0.2 -0.887 5.1-164.0-122.7 98.8 -21.0 8.7 5.6 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.5 122,-0.3 14,-0.3 -0.538 11.9 173.9 -77.3 152.3 -18.4 6.2 4.5 55 57 A L E - 0 0 79 12,-3.3 118,-2.2 1,-0.4 2,-0.3 0.713 49.0 -4.5-122.2 -42.5 -16.0 7.5 1.8 56 58 A R E -EF 67 172B 112 11,-1.2 11,-2.9 116,-0.3 -1,-0.4 -0.984 45.3-135.9-157.9 154.7 -13.2 5.2 0.9 57 59 A I E -EF 66 171B 0 114,-2.4 114,-2.4 -2,-0.3 2,-0.4 -0.985 28.7-173.5-123.1 139.4 -11.5 1.9 1.6 58 60 A L E -EF 65 170B 21 7,-2.3 7,-2.6 -2,-0.4 2,-0.8 -0.994 27.0-144.7-136.7 132.9 -7.7 1.8 1.7 59 61 A N E -E 64 0B 0 110,-2.6 109,-3.1 -2,-0.4 5,-0.2 -0.885 21.6-178.7 -89.9 110.8 -5.0 -0.9 2.0 60 62 A N - 0 0 43 3,-1.8 4,-0.1 -2,-0.8 -1,-0.1 0.320 54.2 -96.9 -97.1 11.0 -2.4 0.9 4.1 61 63 A G S S+ 0 0 16 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.287 118.3 51.4 94.8 -15.1 0.2 -1.9 4.2 62 64 A H S S- 0 0 46 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.587 122.4 -23.0-125.8 -14.3 -1.0 -3.1 7.5 63 65 A A S S- 0 0 2 -5,-0.1 -3,-1.8 165,-0.1 -2,-0.5 -0.858 70.6 -94.3-166.2-174.4 -4.7 -3.5 7.4 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 29,-0.3 2,-0.4 -0.987 35.5-155.8-116.9 139.6 -7.5 -2.1 5.3 65 67 A N E -E 58 0B 19 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.6 -0.949 10.7-151.0-113.2 130.8 -9.3 0.9 6.7 66 68 A V E -EG 57 91B 0 25,-2.7 25,-1.9 -2,-0.4 2,-0.3 -0.924 28.5-151.5 -93.2 119.8 -12.9 2.0 5.8 67 69 A E E -EG 56 90B 43 -11,-2.9 -12,-3.3 -2,-0.6 -11,-1.2 -0.763 11.1-162.6-101.9 142.8 -12.9 5.8 6.2 68 70 A F E -E 54 0B 8 21,-2.3 2,-0.6 -2,-0.3 -14,-0.2 -0.813 32.1 -98.8-116.7 158.2 -15.8 8.0 7.2 69 71 A D + 0 0 37 -16,-2.7 -16,-0.3 -2,-0.3 6,-0.3 -0.691 40.6 172.7 -73.8 118.8 -16.5 11.7 6.9 70 72 A D + 0 0 44 -2,-0.6 -1,-0.1 1,-0.1 17,-0.1 -0.101 47.0 105.8-117.9 30.2 -15.7 13.1 10.4 71 73 A S S S+ 0 0 74 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.481 89.2 23.6 -86.6 -4.6 -16.1 16.8 9.5 72 74 A Q S S- 0 0 134 -3,-0.2 2,-2.0 3,-0.1 3,-0.4 -0.930 99.5 -86.3-148.4 163.4 -19.4 16.8 11.4 73 75 A D S S+ 0 0 86 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.474 77.6 126.7 -73.6 74.1 -21.2 14.9 14.1 74 76 A K S S+ 0 0 41 -2,-2.0 -23,-0.8 1,-0.3 2,-0.5 0.843 74.1 24.8 -99.9 -47.8 -22.7 12.2 11.8 75 77 A A S S+ 0 0 6 -3,-0.4 13,-2.8 -6,-0.3 2,-0.3 -0.927 84.5 167.7-122.1 106.1 -21.5 8.9 13.3 76 78 A V E -DH 48 87B 14 -28,-2.0 -28,-2.9 -2,-0.5 2,-0.4 -0.873 30.9-149.6-128.0 155.7 -20.9 9.3 17.0 77 79 A L E +DH 47 86B 0 9,-2.6 9,-2.2 -2,-0.3 2,-0.3 -0.977 29.5 158.3-115.6 130.0 -20.2 7.3 20.2 78 80 A K E +D 46 0B 90 -32,-2.1 -32,-2.7 -2,-0.4 7,-0.1 -0.885 37.9 30.8-141.2 170.9 -21.3 8.6 23.5 79 81 A G E > S+D 45 0B 26 5,-0.3 3,-2.3 -2,-0.3 -34,-0.3 -0.365 71.1 89.7 78.8-154.9 -22.1 7.2 27.0 80 82 A G T 3 S- 0 0 3 -36,-1.9 -37,-0.9 1,-0.3 -1,-0.1 -0.414 118.6 -27.9 57.4-136.8 -20.5 4.1 28.4 81 83 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.347 116.3 109.9 -86.9 2.5 -17.4 5.3 30.4 82 84 A L < - 0 0 13 -3,-2.3 2,-0.5 -39,-0.1 -3,-0.3 -0.514 55.2-154.4 -87.5 149.1 -17.0 8.3 28.1 83 85 A D + 0 0 135 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.966 67.7 0.6-107.5 125.5 -17.5 12.0 28.7 84 86 A G S S- 0 0 44 -2,-0.5 2,-0.4 38,-0.1 -5,-0.3 -0.372 97.6 -47.0 95.6-178.3 -18.3 13.9 25.6 85 87 A T - 0 0 21 -7,-0.1 38,-2.6 -2,-0.1 2,-0.5 -0.854 41.4-163.1-108.9 130.4 -18.8 13.0 22.0 86 88 A Y E -HI 77 122B 4 -9,-2.2 -9,-2.6 -2,-0.4 2,-0.4 -0.963 11.9-145.0-116.2 125.9 -16.5 10.8 19.9 87 89 A R E -HI 76 121B 65 34,-2.7 34,-2.1 -2,-0.5 2,-0.3 -0.754 18.1-119.5 -92.5 135.2 -16.7 10.9 16.1 88 90 A L E + I 0 120B 2 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.2 -0.557 37.4 165.2 -68.6 127.5 -16.1 7.8 14.0 89 91 A I E - 0 0 32 30,-2.6 -21,-2.3 1,-0.4 2,-0.3 0.701 59.6 -20.9-112.4 -35.0 -13.2 8.2 11.6 90 92 A Q E -GI 67 119B 34 29,-1.3 29,-2.9 -23,-0.2 -1,-0.4 -0.988 47.7-146.7-164.1 158.7 -12.4 4.7 10.4 91 93 A F E +GI 66 118B 0 -25,-1.9 -25,-2.7 -2,-0.3 2,-0.3 -0.968 22.2 164.6-129.3 158.9 -12.7 1.0 11.1 92 94 A H E - I 0 117B 18 25,-1.9 25,-3.0 -2,-0.3 2,-0.3 -0.928 23.1-125.8-156.9 171.4 -10.3 -1.9 10.4 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.831 1.0-150.9-123.5 160.4 -9.7 -5.5 11.3 94 96 A H E + I 0 115B 3 21,-1.9 21,-2.3 -2,-0.3 2,-0.3 -0.973 31.3 169.1-122.1 138.0 -6.9 -7.7 12.7 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-1.0 -0.961 23.2-117.6-150.0 169.7 -6.9 -11.4 11.6 96 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.6 3,-0.1 -0.456 23.1-121.8-106.3 174.6 -5.0 -14.6 11.5 97 99 A S S S+ 0 0 42 -2,-0.1 2,-0.3 142,-0.1 5,-0.1 0.628 104.6 31.4 -82.7 -17.8 -3.5 -17.1 9.2 98 100 A L S > S- 0 0 108 3,-0.2 3,-1.6 15,-0.1 -2,-0.2 -0.938 89.4-109.9-139.1 155.2 -5.7 -19.7 10.9 99 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.688 110.1 67.1 -63.4 -21.6 -9.1 -19.7 12.5 100 102 A G T 3 S+ 0 0 55 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.349 107.5 30.1 -82.5 7.7 -7.6 -20.2 16.0 101 103 A Q < + 0 0 63 -3,-1.6 -5,-0.6 12,-0.1 -3,-0.2 -0.984 63.7 97.0-156.9 164.9 -5.9 -16.8 16.1 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.025 55.7 107.5 140.3 -32.1 -6.2 -13.3 14.9 103 105 A S - 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