==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 31-OCT-12 4HT0 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.SMIRNOV,E.MANAKOVA,S.GRAZULIS . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11646.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.4 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 21.8 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 . 33 12.8 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 . 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 4 A H 0 0 178 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -41.5 10.4 -0.1 8.8 2 5 A W + 0 0 49 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.294 360.0 124.7 -75.4 154.1 7.9 -1.5 11.3 3 6 A G - 0 0 6 5,-2.6 9,-0.1 2,-0.1 10,-0.1 -0.781 68.2 -72.0-167.2-145.2 5.5 -4.3 10.3 4 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.433 83.9 104.0-119.7 5.6 4.5 -7.8 11.4 5 8 A G S > S- 0 0 39 4,-0.1 4,-2.2 1,-0.1 -2,-0.1 -0.008 84.6 -91.5 -78.1-176.1 7.5 -10.1 10.4 6 9 A K T 4 S+ 0 0 167 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.860 126.0 38.0 -60.5 -32.6 10.4 -11.8 12.3 7 10 A H T 4 S+ 0 0 147 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.625 133.1 18.7-100.4 -14.0 12.6 -8.8 11.7 8 11 A N T 4 S+ 0 0 46 -3,-0.1 -5,-2.6 -6,-0.1 -2,-0.2 0.231 93.9 118.8-141.3 15.4 10.2 -5.9 12.1 9 12 A G S >X S- 0 0 0 -4,-2.2 3,-3.0 -5,-0.2 4,-0.8 0.113 82.9 -65.1 -81.5-171.5 7.3 -7.3 14.0 10 13 A P G >4 S+ 0 0 22 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.769 128.4 58.7 -49.4 -34.8 5.9 -6.3 17.4 11 14 A E G 34 S+ 0 0 114 1,-0.2 3,-0.2 2,-0.1 -5,-0.1 0.659 107.9 50.8 -73.3 -12.4 8.8 -7.4 19.5 12 15 A H G X> S+ 0 0 44 -3,-3.0 3,-1.9 1,-0.1 4,-0.6 0.585 84.8 88.2 -90.2 -15.3 10.9 -4.9 17.5 13 16 A W H XX S+ 0 0 4 -4,-0.8 4,-2.4 -3,-0.7 3,-0.7 0.749 71.5 69.7 -64.2 -27.8 8.8 -1.9 17.8 14 17 A H H 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.681 88.7 65.7 -60.5 -23.9 10.3 -0.6 21.0 15 18 A K H <4 S+ 0 0 129 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.911 117.5 24.7 -70.9 -39.1 13.5 0.4 19.2 16 19 A D H << S+ 0 0 102 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.756 136.6 34.4 -86.6 -25.0 11.7 3.0 17.1 17 20 A F >< - 0 0 55 -4,-2.4 3,-2.9 1,-0.1 -1,-0.2 -0.779 65.4-176.7-135.7 79.0 8.8 3.6 19.5 18 21 A P G > S+ 0 0 101 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.742 77.5 75.5 -55.8 -26.2 10.0 3.3 23.1 19 22 A I G > S+ 0 0 57 1,-0.3 3,-2.4 179,-0.2 -5,-0.1 0.602 70.8 89.6 -62.1 -8.8 6.5 3.8 24.5 20 23 A A G < S+ 0 0 6 -3,-2.9 -1,-0.3 1,-0.3 -6,-0.1 0.741 91.0 44.8 -53.9 -27.3 5.9 0.2 23.3 21 24 A K G < S+ 0 0 139 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 -0.011 97.1 130.7-106.9 26.5 7.2 -0.8 26.9 22 25 A G S X S- 0 0 15 -3,-2.4 3,-0.5 1,-0.1 -3,-0.1 0.042 71.7-100.4 -77.4-173.1 5.0 1.9 28.4 23 26 A E T 3 S+ 0 0 126 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.562 112.5 32.8 -89.1 -9.8 2.5 1.9 31.3 24 27 A R T 3 S+ 0 0 46 224,-0.1 -1,-0.2 2,-0.1 2,-0.2 -0.312 79.4 154.7-141.4 56.7 -0.8 1.7 29.4 25 28 A Q < - 0 0 3 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.512 32.9-100.8 -89.3 154.6 -0.1 -0.4 26.2 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.1 -0.906 77.2 43.0-124.9 158.5 -2.7 -2.3 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.558 64.3 176.7 -78.2-179.7 -4.0 -4.9 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.5 -0.915 36.6-100.7-137.9 162.3 -4.4 -6.8 26.7 29 32 A D E -a 105 0A 27 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.774 33.4-139.7 -80.8 134.4 -5.8 -10.1 27.8 30 33 A I E -a 106 0A 0 75,-3.1 77,-2.9 -2,-0.5 2,-1.0 -0.868 10.5-159.4 -93.6 101.0 -9.3 -9.6 29.4 31 34 A D >> - 0 0 62 -2,-0.9 4,-1.1 75,-0.2 3,-0.8 -0.813 6.7-159.9 -84.9 107.1 -9.4 -11.9 32.3 32 35 A T T 34 S+ 0 0 42 -2,-1.0 -1,-0.2 1,-0.3 74,-0.0 0.703 84.1 56.3 -68.3 -22.0 -13.2 -12.0 32.7 33 36 A H T 34 S+ 0 0 164 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.832 112.1 40.8 -80.0 -31.2 -13.2 -13.2 36.2 34 37 A T T <4 S+ 0 0 95 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.521 85.0 109.7 -95.9 -4.5 -11.1 -10.3 37.5 35 38 A A S < S- 0 0 17 -4,-1.1 2,-0.6 216,-0.1 218,-0.2 -0.470 72.6-124.5 -66.6 137.7 -12.8 -7.5 35.4 36 39 A K E -c 253 0B 113 216,-2.5 218,-2.7 -2,-0.1 2,-0.2 -0.780 12.9-130.1 -90.1 121.5 -14.8 -5.3 37.9 37 40 A Y E -c 254 0B 107 -2,-0.6 218,-0.2 216,-0.2 3,-0.1 -0.481 21.5-161.2 -62.4 135.0 -18.4 -4.8 37.2 38 41 A D > - 0 0 28 216,-2.8 3,-1.7 -2,-0.2 -1,-0.1 -0.933 10.9-169.6-124.7 105.8 -19.1 -1.1 37.4 39 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.708 85.9 62.4 -74.1 -13.9 -22.8 -0.4 38.0 40 43 A S T 3 S+ 0 0 91 -3,-0.1 2,-0.4 2,-0.1 215,-0.1 0.402 76.0 108.7 -87.0 0.5 -22.2 3.3 37.3 41 44 A L < - 0 0 28 -3,-1.7 3,-0.1 213,-0.2 38,-0.0 -0.679 66.8-136.4 -73.8 138.1 -21.0 2.6 33.7 42 45 A K - 0 0 135 37,-1.1 39,-0.1 -2,-0.4 3,-0.1 -0.415 27.1 -83.7 -91.0 163.1 -23.7 3.9 31.2 43 46 A P - 0 0 114 0, 0.0 36,-1.9 0, 0.0 2,-0.2 -0.382 52.4-106.6 -58.5 143.2 -25.0 2.1 28.1 44 47 A L E -D 78 0B 12 141,-0.3 2,-0.6 34,-0.2 34,-0.2 -0.533 29.6-143.9 -70.5 136.6 -22.7 2.8 25.1 45 48 A S E -D 77 0B 46 32,-2.9 32,-2.2 -2,-0.2 2,-0.6 -0.929 18.6-178.4-104.8 114.1 -24.3 5.2 22.6 46 49 A V E -D 76 0B 32 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.915 1.9-179.2-111.3 110.1 -23.6 4.4 19.0 47 50 A S E +D 75 0B 39 28,-2.8 28,-2.1 -2,-0.6 3,-0.1 -0.784 24.2 142.3-118.3 86.3 -25.1 6.9 16.7 48 51 A Y > + 0 0 3 -2,-0.7 3,-2.2 26,-0.2 130,-0.2 0.380 33.0 107.5-106.4 3.9 -24.2 5.8 13.2 49 52 A D T 3 S+ 0 0 93 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.829 87.9 42.1 -51.5 -35.9 -27.4 6.6 11.2 50 53 A Q T 3 S+ 0 0 127 23,-0.8 -1,-0.3 -3,-0.1 24,-0.2 0.266 82.8 146.5-101.9 17.3 -25.8 9.5 9.5 51 54 A A < - 0 0 24 -3,-2.2 2,-0.5 1,-0.1 23,-0.1 -0.194 32.7-158.6 -53.7 133.6 -22.4 7.9 8.8 52 55 A T - 0 0 44 16,-0.3 16,-2.7 121,-0.1 2,-0.2 -0.884 6.0-165.4-114.2 93.8 -20.6 9.0 5.6 53 56 A S E +E 67 0B 2 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.544 12.2 172.4 -71.4 151.6 -18.1 6.5 4.4 54 57 A L E - 0 0 80 12,-3.4 118,-2.5 1,-0.4 2,-0.3 0.699 49.1 -3.6-122.2 -46.8 -15.8 7.8 1.8 55 58 A R E -EF 66 171B 86 11,-1.0 11,-3.0 116,-0.3 -1,-0.4 -0.984 46.9-136.7-151.7 159.1 -13.0 5.5 0.8 56 59 A I E -EF 65 170B 0 114,-2.8 114,-2.3 -2,-0.3 2,-0.4 -0.984 27.8-169.9-127.3 137.5 -11.3 2.3 1.6 57 60 A L E -EF 64 169B 30 7,-2.4 7,-2.7 -2,-0.4 2,-0.7 -0.980 26.3-148.0-134.8 131.9 -7.5 2.1 1.7 58 61 A N E +E 63 0B 0 110,-3.0 109,-2.8 -2,-0.4 5,-0.2 -0.904 22.5 177.6 -91.6 109.9 -4.8 -0.6 1.9 59 62 A N - 0 0 53 3,-2.1 4,-0.1 -2,-0.7 -1,-0.1 0.287 54.0-100.7 -98.6 14.2 -2.1 1.3 4.0 60 63 A G S S+ 0 0 5 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.410 116.7 56.0 87.3 -9.3 0.2 -1.7 4.1 61 64 A H S S- 0 0 45 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.671 124.3 -30.1-120.8 -43.2 -0.7 -2.8 7.6 62 65 A A S S- 0 0 5 -5,-0.1 -3,-2.1 31,-0.1 -1,-0.6 -0.706 71.5 -90.2-152.2-170.3 -4.5 -3.3 7.3 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.5 -5,-0.2 29,-0.4 -0.989 35.4-153.6-115.5 139.2 -7.3 -1.7 5.2 64 67 A N E -E 57 0B 22 -7,-2.7 -7,-2.4 -2,-0.4 2,-0.7 -0.920 10.2-151.4-109.4 133.3 -9.1 1.3 6.6 65 68 A V E -EG 56 90B 0 25,-2.9 25,-2.0 -2,-0.5 2,-0.3 -0.921 30.4-153.0 -95.7 113.9 -12.7 2.2 5.7 66 69 A E E -EG 55 89B 43 -11,-3.0 -12,-3.4 -2,-0.7 -11,-1.0 -0.648 9.9-160.3 -94.4 150.1 -12.6 6.1 6.2 67 70 A F E -E 53 0B 7 21,-2.6 2,-0.7 -14,-0.3 -14,-0.2 -0.868 31.7 -97.8-123.5 157.4 -15.5 8.3 7.1 68 71 A D + 0 0 33 -16,-2.7 -16,-0.3 -2,-0.3 3,-0.3 -0.652 42.3 172.1 -72.3 111.4 -16.2 12.0 6.8 69 72 A D + 0 0 42 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 0.026 47.3 103.9-111.6 31.0 -15.4 13.2 10.3 70 73 A S S S+ 0 0 83 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.418 90.0 24.9 -96.7 3.9 -15.8 17.0 9.5 71 74 A Q S S- 0 0 114 -3,-0.3 2,-1.5 3,-0.1 3,-0.4 -0.951 100.8 -86.2-153.3 167.7 -19.2 17.0 11.3 72 75 A D S S+ 0 0 85 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.644 77.1 126.0 -79.2 93.9 -20.9 15.0 14.0 73 76 A K S S+ 0 0 44 -2,-1.5 -23,-0.8 1,-0.3 2,-0.4 0.605 73.9 24.7-119.8 -31.6 -22.3 12.2 11.8 74 77 A A S S+ 0 0 5 -3,-0.4 13,-3.0 -24,-0.2 2,-0.3 -0.884 85.1 167.0-137.9 104.0 -21.2 8.9 13.2 75 78 A V E -DH 47 86B 8 -28,-2.1 -28,-2.8 -2,-0.4 2,-0.4 -0.932 29.4-153.2-131.4 148.1 -20.4 9.4 16.9 76 79 A L E +DH 46 85B 0 9,-2.8 9,-2.5 -2,-0.3 2,-0.3 -0.931 32.1 143.6-113.1 135.0 -19.8 7.3 20.0 77 80 A K E +D 45 0B 78 -32,-2.2 -32,-2.9 -2,-0.4 7,-0.1 -0.922 37.7 41.9-154.2-172.2 -20.6 8.6 23.4 78 81 A G E > S+D 44 0B 13 5,-0.4 3,-2.4 3,-0.3 -34,-0.2 -0.349 74.7 90.3 60.7-144.1 -21.9 7.5 26.8 79 82 A G T 3 S- 0 0 6 -36,-1.9 -37,-1.1 1,-0.3 -1,-0.1 -0.405 121.4 -28.1 55.2-133.3 -20.5 4.2 28.0 80 83 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.477 117.7 111.0 -85.0 1.5 -17.3 5.2 30.0 81 84 A L < - 0 0 14 -3,-2.4 2,-0.4 -39,-0.1 -3,-0.3 -0.518 59.4-147.0 -89.6 150.0 -16.9 8.3 27.9 82 85 A D S S- 0 0 142 -2,-0.2 -1,-0.0 -5,-0.1 -3,-0.0 -0.856 71.7 -20.5 -96.3 132.5 -17.2 12.0 28.7 83 86 A G S S- 0 0 48 -2,-0.4 2,-0.4 38,-0.1 -5,-0.4 -0.192 97.8 -32.1 58.0-159.0 -18.4 13.9 25.7 84 87 A T - 0 0 27 -7,-0.1 38,-2.9 -9,-0.0 2,-0.5 -0.793 37.8-167.4-122.4 131.5 -18.4 13.0 22.0 85 88 A Y E -HI 76 121B 6 -9,-2.5 -9,-2.8 -2,-0.4 2,-0.4 -0.971 16.5-140.8-125.2 129.0 -16.1 11.0 19.8 86 89 A R E -HI 75 120B 46 34,-2.7 34,-2.1 -2,-0.5 2,-0.3 -0.726 19.6-119.3 -90.2 134.0 -16.3 11.1 16.0 87 90 A L E + I 0 119B 2 -13,-3.0 32,-0.3 -2,-0.4 -14,-0.1 -0.472 37.0 166.5 -70.2 125.2 -15.8 8.0 13.8 88 91 A I E - 0 0 35 30,-2.8 -21,-2.6 1,-0.4 2,-0.3 0.762 59.8 -25.9-105.5 -41.4 -12.8 8.5 11.5 89 92 A Q E -GI 66 118B 29 29,-1.3 29,-3.0 -23,-0.3 -1,-0.4 -0.987 48.1-142.9-163.2 157.7 -12.1 5.0 10.2 90 93 A F E +GI 65 117B 0 -25,-2.0 -25,-2.9 -2,-0.3 2,-0.3 -0.973 23.2 160.9-123.1 161.5 -12.4 1.3 10.9 91 94 A H E - I 0 116B 22 25,-1.8 25,-3.2 -2,-0.3 2,-0.3 -0.918 23.6-125.8-157.5 177.8 -10.1 -1.6 10.2 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.854 0.3-148.2-133.0 160.1 -9.4 -5.1 11.3 93 96 A H E + I 0 114B 2 21,-1.9 21,-2.3 -2,-0.3 2,-0.3 -0.985 31.5 168.8-121.1 138.8 -6.6 -7.3 12.5 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.9 -0.937 24.3-113.2-149.9 173.5 -6.7 -11.0 11.5 95 98 A G - 0 0 0 17,-1.6 6,-0.1 5,-0.7 3,-0.1 -0.383 22.9-122.7-103.1 174.4 -4.8 -14.2 11.4 96 99 A S S S+ 0 0 43 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.532 106.9 31.5 -82.4 -12.5 -3.2 -16.7 9.0 97 100 A L S > S- 0 0 104 3,-0.3 3,-1.7 15,-0.1 -2,-0.2 -0.969 90.2-111.9-143.2 148.6 -5.5 -19.3 10.6 98 101 A D T 3 S+ 0 0 75 -2,-0.3 48,-0.2 1,-0.2 15,-0.1 0.761 110.1 70.5 -59.4 -21.7 -8.9 -19.1 12.2 99 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.429 107.2 26.7 -73.8 1.9 -7.3 -19.8 15.7 100 103 A Q < + 0 0 49 -3,-1.7 -5,-0.7 12,-0.1 -3,-0.3 -0.968 65.1 99.4-156.2 166.1 -5.6 -16.4 15.9 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.014 54.6 106.6 143.2 -33.1 -5.9 -12.9 14.7 102 105 A S - 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