==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-SEP-00 1FR4 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.D.COX,J.A.HUNT,K.M.COMPHER,C.A.FIERKE,D.W.CHRISTIANSON . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.8 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 . 57 22.2 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 . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.5 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 1 0 0 2 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 2 2 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 4 A H 0 0 184 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0-169.9 10.6 1.0 9.8 2 5 A W + 0 0 35 14,-0.0 2,-0.2 195,-0.0 7,-0.2 -0.985 360.0 132.1-147.6 156.0 8.1 -1.4 11.3 3 6 A G - 0 0 8 5,-2.8 10,-0.1 -2,-0.3 58,-0.1 -0.804 63.7 -81.2-168.7-150.7 5.8 -4.2 10.4 4 7 A Y S S+ 0 0 38 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.218 86.7 109.6-120.9 10.5 4.8 -7.6 11.5 5 8 A G S >> S- 0 0 36 4,-0.1 4,-1.2 1,-0.1 3,-0.7 -0.179 86.5 -94.4 -80.2 177.3 7.7 -9.5 10.0 6 9 A K T 34 S+ 0 0 167 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.848 122.0 39.7 -61.0 -35.5 10.6 -11.1 11.8 7 10 A H T 34 S+ 0 0 165 1,-0.2 -1,-0.2 4,-0.0 -3,-0.0 0.439 130.1 23.1 -99.9 1.1 12.8 -8.1 11.4 8 11 A N T <4 S+ 0 0 57 -3,-0.7 -5,-2.8 -6,-0.1 -2,-0.2 0.167 95.1 126.1-146.6 14.7 10.5 -5.2 12.0 9 12 A G S >X S- 0 0 0 -4,-1.2 3,-3.1 -5,-0.2 4,-1.0 -0.007 81.1 -74.4 -72.2 177.8 7.8 -7.0 14.0 10 13 A P T 34 S+ 0 0 25 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.748 127.7 62.2 -42.6 -35.2 6.3 -6.2 17.5 11 14 A E T 34 S+ 0 0 106 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.641 107.3 44.2 -71.6 -12.9 9.4 -7.4 19.3 12 15 A H T X4 S+ 0 0 57 -3,-3.1 3,-1.9 1,-0.1 4,-0.5 0.639 87.5 90.1-103.0 -19.8 11.5 -4.7 17.5 13 16 A W G >X S+ 0 0 5 -4,-1.0 4,-3.0 1,-0.3 3,-1.1 0.768 72.3 70.1 -49.6 -36.7 9.2 -1.7 18.0 14 17 A H G 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.681 89.4 63.4 -60.1 -19.8 10.6 -0.6 21.3 15 18 A K G <4 S+ 0 0 134 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.830 116.4 28.2 -75.5 -32.3 13.9 0.6 19.7 16 19 A D T <4 S+ 0 0 105 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.1 0.816 136.4 33.0 -92.4 -35.5 12.1 3.3 17.6 17 20 A F >< - 0 0 53 -4,-3.0 3,-2.3 1,-0.1 -1,-0.3 -0.808 65.8-174.6-124.9 89.3 9.3 3.7 20.1 18 21 A P G > S+ 0 0 101 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.775 78.9 75.7 -51.8 -30.3 10.5 3.2 23.7 19 22 A I G > + 0 0 63 1,-0.3 3,-2.3 179,-0.2 5,-0.2 0.600 69.7 88.6 -61.8 -8.3 6.9 3.5 25.0 20 23 A A G < S+ 0 0 7 -3,-2.3 -1,-0.3 1,-0.3 -6,-0.1 0.697 92.5 44.4 -61.9 -18.1 6.4 -0.0 23.6 21 24 A K G < S+ 0 0 148 -3,-2.1 -1,-0.3 -7,-0.1 -2,-0.2 -0.020 95.0 127.2-114.6 27.3 7.6 -1.1 27.1 22 25 A G S < S- 0 0 16 -3,-2.3 3,-0.4 1,-0.1 -3,-0.0 0.028 73.3 -99.1 -75.5-174.3 5.4 1.4 28.9 23 26 A E S S+ 0 0 120 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.644 112.7 36.7 -83.8 -18.5 2.9 1.1 31.8 24 27 A R S S+ 0 0 45 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.425 78.4 153.9-135.8 64.9 -0.3 1.1 29.8 25 28 A Q - 0 0 3 -3,-0.4 220,-0.2 221,-0.4 170,-0.1 -0.582 33.7 -94.0 -92.8 152.7 0.3 -0.8 26.5 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.1 -2,-0.2 78,-0.0 -0.874 79.8 33.6-125.5 157.3 -2.3 -2.6 24.3 27 30 A P + 0 0 0 0, 0.0 218,-3.1 0, 0.0 2,-0.3 0.606 65.7 178.1 -82.7-179.6 -3.6 -5.1 23.6 28 31 A V - 0 0 0 216,-0.3 77,-1.2 -2,-0.1 2,-0.4 -0.911 34.9-100.7-137.7 163.8 -3.9 -7.1 26.8 29 32 A D E -a 105 0A 33 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.716 33.0-138.7 -85.5 139.7 -5.5 -10.5 27.7 30 33 A I E -a 106 0A 0 75,-2.9 77,-2.6 -2,-0.4 2,-1.1 -0.888 10.4-159.0-103.4 106.8 -8.8 -10.1 29.3 31 34 A D >> - 0 0 53 -2,-0.8 3,-2.4 75,-0.2 4,-1.4 -0.754 2.5-160.2 -86.2 99.8 -9.1 -12.5 32.2 32 35 A T T 34 S+ 0 0 50 -2,-1.1 -1,-0.2 1,-0.3 222,-0.0 0.694 87.5 59.7 -55.2 -20.2 -12.9 -12.8 32.7 33 36 A H T 34 S+ 0 0 161 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.537 112.6 34.8 -87.2 -8.3 -12.4 -14.1 36.2 34 37 A T T <4 S+ 0 0 102 -3,-2.4 -2,-0.2 2,-0.0 2,-0.2 0.464 87.7 112.8-121.1 -7.9 -10.5 -11.0 37.4 35 38 A A < - 0 0 22 -4,-1.4 2,-0.7 216,-0.1 218,-0.2 -0.467 67.9-126.0 -67.8 136.5 -12.3 -8.3 35.5 36 39 A K E -c 253 0B 119 216,-2.5 218,-2.5 -2,-0.2 2,-0.2 -0.762 12.5-138.7 -92.0 113.8 -14.3 -6.0 37.8 37 40 A Y E -c 254 0B 78 -2,-0.7 218,-0.2 216,-0.3 220,-0.1 -0.487 20.9-167.0 -66.5 135.1 -18.0 -5.6 37.0 38 41 A D > - 0 0 28 216,-3.0 3,-1.4 -2,-0.2 -1,-0.1 -0.867 19.0-177.3-131.7 100.6 -18.9 -1.9 37.5 39 42 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.489 79.8 73.9 -74.0 -0.1 -22.6 -1.0 37.6 40 43 A S T 3 S+ 0 0 93 2,-0.1 2,-0.3 0, 0.0 215,-0.1 0.580 70.4 106.9 -86.2 -12.4 -21.6 2.7 38.0 41 44 A L S < S- 0 0 29 -3,-1.4 38,-0.1 213,-0.2 3,-0.1 -0.531 75.1-125.3 -70.0 126.0 -20.5 2.9 34.3 42 45 A K - 0 0 150 37,-1.0 37,-0.1 -2,-0.3 39,-0.1 -0.300 42.0 -83.1 -66.2 157.5 -23.1 4.8 32.3 43 46 A P - 0 0 102 0, 0.0 36,-1.3 0, 0.0 2,-0.5 -0.315 47.9-101.7 -64.7 148.2 -24.4 3.0 29.3 44 47 A L E -D 78 0B 18 34,-0.3 2,-0.7 141,-0.1 34,-0.2 -0.565 35.8-156.1 -72.1 120.0 -22.4 2.9 26.0 45 48 A S E -D 77 0B 45 32,-3.3 32,-2.5 -2,-0.5 2,-0.6 -0.872 12.9-178.5-106.1 112.7 -23.9 5.4 23.5 46 49 A V E +D 76 0B 35 -2,-0.7 2,-0.6 30,-0.2 30,-0.2 -0.935 2.4 178.0-110.0 113.6 -23.1 4.8 19.9 47 50 A S E +D 75 0B 46 28,-2.8 28,-2.2 -2,-0.6 3,-0.2 -0.790 20.9 146.3-118.8 87.6 -24.6 7.4 17.5 48 51 A Y > + 0 0 3 -2,-0.6 3,-1.3 26,-0.3 130,-0.2 0.091 31.7 118.6-106.5 19.5 -23.6 6.5 14.0 49 52 A D T 3 S+ 0 0 113 1,-0.3 -1,-0.2 24,-0.1 25,-0.1 0.914 84.8 26.8 -52.7 -54.7 -26.8 7.8 12.3 50 53 A Q T 3 S+ 0 0 130 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 -0.004 85.9 154.4-101.4 29.1 -25.2 10.5 10.1 51 54 A A < - 0 0 21 -3,-1.3 2,-0.4 22,-0.3 123,-0.1 -0.268 28.2-158.6 -55.8 140.4 -21.8 8.9 9.8 52 55 A T - 0 0 38 16,-0.3 16,-2.5 122,-0.1 22,-0.1 -0.855 3.4-160.9-131.3 98.7 -20.1 10.0 6.6 53 56 A S E -E 67 0B 2 -2,-0.4 121,-0.4 122,-0.3 14,-0.3 -0.340 9.3-178.5 -70.5 157.0 -17.4 7.6 5.4 54 57 A L E - 0 0 73 12,-3.4 118,-2.1 1,-0.4 2,-0.3 0.692 51.2 -9.1-122.5 -63.3 -14.8 9.0 2.9 55 58 A R E -EF 66 171B 106 11,-0.9 11,-3.5 116,-0.2 -1,-0.4 -0.924 44.5-142.0-141.4 163.4 -12.2 6.5 1.7 56 59 A I E +EF 65 170B 0 114,-2.4 114,-2.8 -2,-0.3 2,-0.3 -0.988 29.7 178.7-125.5 136.1 -10.8 3.0 2.3 57 60 A L E -EF 64 169B 47 7,-2.3 7,-2.4 -2,-0.4 2,-0.7 -0.988 33.1-137.6-144.2 152.3 -7.1 2.4 2.0 58 61 A N E +E 63 0B 0 110,-2.8 109,-3.3 -2,-0.3 110,-0.3 -0.925 22.0 178.7-105.7 105.5 -4.4 -0.2 2.3 59 62 A N - 0 0 51 3,-1.8 107,-0.1 -2,-0.7 4,-0.1 0.238 57.7 -98.2 -94.2 15.3 -1.6 1.4 4.1 60 63 A G S S+ 0 0 7 2,-0.3 106,-0.1 166,-0.2 3,-0.1 0.288 120.4 62.4 88.6 -11.1 0.6 -1.7 4.1 61 64 A H S S- 0 0 37 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.656 118.2 -34.8-114.7 -29.9 -0.5 -2.5 7.7 62 65 A A - 0 0 6 164,-0.1 -3,-1.8 165,-0.1 -1,-0.5 -0.961 68.7 -79.2-176.4 174.2 -4.2 -3.0 7.2 63 66 A F E -E 58 0B 6 29,-0.3 29,-0.7 -2,-0.3 2,-0.4 -0.724 48.2-162.2 -88.7 144.9 -7.3 -1.8 5.3 64 67 A N E -EG 57 91B 9 -7,-2.4 -7,-2.3 -2,-0.3 2,-0.6 -0.978 15.4-156.1-137.3 124.6 -8.6 1.5 6.7 65 68 A V E -EG 56 90B 0 25,-3.0 25,-1.7 -2,-0.4 2,-0.3 -0.876 21.1-154.3 -98.6 118.6 -11.9 3.2 6.3 66 69 A E E -EG 55 89B 83 -11,-3.5 -12,-3.4 -2,-0.6 -11,-0.9 -0.755 7.7-160.0 -98.5 143.2 -11.6 6.9 6.9 67 70 A F E -E 53 0B 3 21,-2.4 2,-0.8 -2,-0.3 -14,-0.2 -0.775 28.6-104.7-119.3 160.5 -14.5 9.1 8.0 68 71 A D + 0 0 45 -16,-2.5 -16,-0.3 -2,-0.3 6,-0.3 -0.773 39.8 172.8 -83.7 111.8 -15.3 12.8 8.0 69 72 A D + 0 0 37 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 0.024 42.5 111.3-111.2 26.9 -14.7 13.9 11.6 70 73 A S S S+ 0 0 74 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.619 86.8 20.5 -74.6 -12.5 -15.1 17.6 11.2 71 74 A Q S S- 0 0 118 -3,-0.3 2,-1.6 3,-0.0 3,-0.4 -0.878 97.3 -84.4-144.9 176.7 -18.3 17.5 13.2 72 75 A D S S+ 0 0 82 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.368 77.9 125.2 -84.4 57.0 -20.2 15.3 15.6 73 76 A K S S+ 0 0 34 -2,-1.6 -23,-0.8 1,-0.3 2,-0.7 0.966 77.8 21.7 -79.4 -60.5 -21.8 13.0 13.0 74 77 A A S S+ 0 0 9 -3,-0.4 13,-2.8 -6,-0.3 -1,-0.3 -0.926 89.6 166.2-112.6 105.3 -20.7 9.5 14.1 75 78 A V E -DH 47 86B 8 -28,-2.2 -28,-2.8 -2,-0.7 2,-0.4 -0.833 31.5-149.9-125.6 161.4 -19.9 9.7 17.8 76 79 A L E +DH 46 85B 0 9,-2.7 9,-1.9 -2,-0.3 2,-0.3 -0.986 31.1 145.1-126.6 133.3 -19.3 7.6 20.8 77 80 A K E +D 45 0B 47 -32,-2.5 -32,-3.3 -2,-0.4 2,-0.2 -0.925 34.9 49.4-155.0 176.7 -20.1 8.7 24.4 78 81 A G E > S+D 44 0B 21 5,-0.4 3,-2.5 3,-0.3 -34,-0.3 -0.545 73.9 78.4 85.6-153.0 -21.3 7.2 27.6 79 82 A G T 3 S- 0 0 7 -36,-1.3 -37,-1.0 1,-0.3 -1,-0.1 -0.200 123.6 -23.6 48.1-130.8 -19.7 4.1 29.1 80 83 A P T 3 S+ 0 0 44 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.470 115.3 112.0 -89.5 2.2 -16.5 5.1 30.8 81 84 A L < - 0 0 14 -3,-2.5 2,-0.5 -39,-0.1 -3,-0.3 -0.443 54.1-154.2 -83.9 148.6 -16.2 8.2 28.6 82 85 A D - 0 0 121 -2,-0.2 2,-0.2 -5,-0.1 -3,-0.0 -0.978 68.5 -12.0-116.9 117.9 -16.5 11.9 29.5 83 86 A G S S- 0 0 46 -2,-0.5 -5,-0.4 39,-0.1 2,-0.4 -0.548 102.4 -37.9 93.0-159.2 -17.6 14.1 26.6 84 87 A T - 0 0 33 -2,-0.2 38,-2.6 -7,-0.1 2,-0.5 -0.872 41.8-160.9-114.9 143.0 -17.8 13.2 23.0 85 88 A Y E -HI 76 121B 5 -9,-1.9 -9,-2.7 -2,-0.4 2,-0.4 -0.982 13.9-144.4-123.6 122.7 -15.6 11.1 20.8 86 89 A R E -HI 75 120B 44 34,-2.4 34,-1.7 -2,-0.5 2,-0.3 -0.697 17.3-121.4 -90.3 134.1 -15.7 11.3 17.0 87 90 A L E + I 0 119B 2 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.2 -0.534 41.2 158.3 -71.3 130.2 -15.2 8.3 14.8 88 91 A I E + 0 0 17 30,-3.0 -21,-2.4 1,-0.3 2,-0.3 0.661 57.1 11.6-121.9 -35.0 -12.2 8.8 12.4 89 92 A Q E -GI 66 118B 45 29,-1.3 29,-3.4 -23,-0.2 2,-0.4 -0.999 45.3-163.9-152.8 150.5 -11.1 5.4 11.3 90 93 A I E +GI 65 117B 2 -25,-1.7 -25,-3.0 -2,-0.3 2,-0.3 -0.998 23.3 159.6-132.7 126.5 -12.0 1.7 11.2 91 94 A H E -GI 64 116B 25 25,-1.8 25,-2.6 -2,-0.4 2,-0.4 -0.920 27.2-125.3-141.1 168.7 -9.4 -1.1 10.4 92 95 A M E - 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