==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 16-APR-10 3ML2 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.S.AVVARU,J.WAGNER,A.H.ROBBINS,R.MCKENNA . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11800.0 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 . 34 13.2 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 4 A H 0 0 163 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.1 10.1 0.7 8.7 2 5 A W + 0 0 28 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.273 360.0 135.5 -68.5 155.6 7.9 -1.0 11.3 3 6 A G - 0 0 7 5,-2.4 10,-0.1 2,-0.1 -1,-0.1 -0.774 62.7 -82.7-167.0-148.8 5.6 -3.9 10.3 4 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.162 82.9 107.4-124.4 18.0 4.5 -7.3 11.5 5 8 A G S > S- 0 0 41 4,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.227 85.1 -89.4 -91.0-175.4 7.3 -9.5 10.1 6 9 A K T 4 S+ 0 0 174 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.825 123.7 35.7 -63.5 -34.3 10.2 -11.3 11.8 7 10 A H T 4 S+ 0 0 142 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.565 131.5 25.1-101.9 -6.6 12.6 -8.4 11.6 8 11 A N T 4 S+ 0 0 57 -3,-0.4 -5,-2.4 -6,-0.1 -2,-0.2 0.272 92.1 117.9-141.3 13.5 10.3 -5.4 12.1 9 12 A G S >X S- 0 0 3 -4,-1.6 3,-2.5 -7,-0.2 4,-0.8 0.184 83.6 -62.7 -80.2-166.7 7.3 -6.8 14.1 10 13 A P T 34 S+ 0 0 27 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.740 128.3 59.9 -60.4 -25.7 6.0 -5.9 17.6 11 14 A E T 34 S+ 0 0 143 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.688 109.8 46.5 -70.3 -16.9 9.1 -7.0 19.5 12 15 A H T X4 S+ 0 0 57 -3,-2.5 3,-1.9 1,-0.1 4,-0.5 0.653 86.6 87.4 -95.0 -19.1 11.1 -4.5 17.6 13 16 A W G >X S+ 0 0 5 -4,-0.8 4,-2.6 1,-0.3 3,-0.9 0.761 73.5 70.5 -59.4 -28.3 8.8 -1.5 17.8 14 17 A H G 34 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.731 89.1 64.9 -63.0 -23.2 10.2 -0.2 21.1 15 18 A K G <4 S+ 0 0 133 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.888 116.8 25.3 -70.5 -37.9 13.5 0.9 19.3 16 19 A D T <4 S+ 0 0 117 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.759 136.4 34.3 -89.0 -26.5 11.7 3.5 17.2 17 20 A F >< - 0 0 56 -4,-2.6 3,-2.5 1,-0.1 -1,-0.2 -0.781 64.9-177.3-136.2 79.5 8.8 4.1 19.7 18 21 A P G > S+ 0 0 100 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.689 77.3 75.8 -56.3 -24.8 10.0 3.7 23.3 19 22 A I G > S+ 0 0 59 1,-0.3 3,-2.4 179,-0.2 5,-0.2 0.616 70.7 91.3 -63.1 -10.9 6.4 4.3 24.6 20 23 A A G < S+ 0 0 7 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.753 91.4 42.8 -46.4 -32.3 6.0 0.6 23.4 21 24 A K G < S+ 0 0 137 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 -0.016 96.7 127.7-107.4 29.9 7.0 -0.2 27.0 22 25 A G S < S- 0 0 16 -3,-2.4 3,-0.4 1,-0.1 -3,-0.0 0.058 73.0 -97.4 -81.5-168.6 4.9 2.5 28.6 23 26 A E S S+ 0 0 120 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.584 113.1 34.6 -89.7 -14.4 2.4 2.4 31.4 24 27 A R S S+ 0 0 48 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.285 78.7 154.8-139.3 55.6 -0.9 2.2 29.4 25 28 A Q - 0 0 2 -3,-0.4 220,-0.1 221,-0.3 170,-0.1 -0.497 32.1-103.1 -88.7 153.3 -0.2 0.2 26.2 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.883 77.6 42.5-127.1 160.5 -2.8 -1.8 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.599 66.4 178.3 -76.0 179.0 -4.0 -4.3 23.4 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.958 36.5-101.0-136.8 156.1 -4.4 -6.3 26.7 29 32 A D E -a 105 0A 29 216,-0.5 2,-0.8 -2,-0.3 77,-0.2 -0.680 35.7-137.8 -70.8 132.9 -5.8 -9.6 27.8 30 33 A I E -a 106 0A 0 75,-3.0 77,-2.5 -2,-0.4 2,-1.0 -0.867 11.8-158.4 -95.6 104.3 -9.3 -9.0 29.3 31 34 A D > - 0 0 68 -2,-0.8 4,-1.6 75,-0.2 3,-0.4 -0.800 3.2-162.6 -87.6 100.7 -9.5 -11.2 32.4 32 35 A T T 4 S+ 0 0 44 -2,-1.0 -1,-0.2 1,-0.2 222,-0.0 0.730 86.3 53.0 -62.2 -27.0 -13.3 -11.5 32.7 33 36 A H T 4 S+ 0 0 169 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.839 113.6 42.3 -79.7 -30.3 -13.1 -12.7 36.4 34 37 A T T 4 S+ 0 0 114 -3,-0.4 2,-0.2 2,-0.1 -2,-0.2 0.676 88.7 100.6 -90.3 -15.1 -10.9 -9.7 37.4 35 38 A A S < S- 0 0 15 -4,-1.6 2,-0.5 216,-0.1 218,-0.2 -0.515 72.4-133.7 -68.4 130.4 -12.8 -6.9 35.5 36 39 A K E -c 253 0B 146 216,-1.8 218,-2.8 -2,-0.2 2,-0.2 -0.750 9.4-120.1 -94.5 131.8 -15.0 -5.1 37.9 37 40 A Y E -c 254 0B 83 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.458 26.3-162.6 -57.7 131.6 -18.7 -4.3 37.3 38 41 A D > - 0 0 23 216,-2.2 3,-1.7 -2,-0.2 -1,-0.0 -0.917 8.8-172.0-126.2 101.0 -19.0 -0.5 37.5 39 42 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.664 82.2 66.5 -76.0 -16.3 -22.7 0.4 37.9 40 43 A S T 3 S+ 0 0 86 2,-0.1 2,-0.4 40,-0.0 215,-0.1 0.476 76.4 110.1 -79.6 -4.6 -22.0 4.1 37.4 41 44 A L < - 0 0 28 -3,-1.7 3,-0.1 213,-0.2 -3,-0.0 -0.611 66.7-136.4 -70.1 130.9 -21.0 3.4 33.8 42 45 A K - 0 0 101 37,-1.2 39,-0.1 -2,-0.4 -2,-0.1 -0.428 28.2 -89.5 -80.6 157.0 -23.6 4.8 31.4 43 46 A P - 0 0 112 0, 0.0 36,-1.9 0, 0.0 2,-0.3 -0.377 49.9-103.4 -60.6 148.2 -24.9 2.9 28.4 44 47 A L E -D 78 0B 14 34,-0.3 2,-0.7 141,-0.3 34,-0.2 -0.582 29.2-147.3 -69.1 140.0 -22.9 3.5 25.2 45 48 A S E -D 77 0B 47 32,-3.2 32,-2.3 -2,-0.3 2,-0.6 -0.908 16.4-177.1-115.6 104.0 -24.5 5.8 22.8 46 49 A V E +D 76 0B 34 -2,-0.7 2,-0.6 30,-0.2 30,-0.2 -0.890 2.7 179.3-100.3 115.9 -23.7 4.9 19.2 47 50 A S E +D 75 0B 35 28,-3.1 28,-1.6 -2,-0.6 3,-0.2 -0.711 24.1 141.3-121.5 81.3 -25.2 7.4 16.7 48 51 A Y > + 0 0 4 -2,-0.6 3,-2.2 26,-0.2 130,-0.2 0.284 33.1 111.4-101.1 11.0 -24.2 6.3 13.2 49 52 A D T 3 S+ 0 0 97 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.844 88.8 36.6 -57.9 -32.0 -27.5 7.2 11.4 50 53 A Q T 3 S+ 0 0 122 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.181 83.4 147.1-105.9 13.5 -25.9 10.0 9.5 51 54 A A < - 0 0 23 -3,-2.2 2,-0.6 22,-0.3 123,-0.1 -0.248 32.2-158.6 -54.0 131.7 -22.4 8.4 8.9 52 55 A T - 0 0 49 16,-0.3 16,-2.5 122,-0.1 2,-0.1 -0.869 4.7-164.1-114.1 99.6 -20.9 9.4 5.6 53 56 A S E +E 67 0B 1 -2,-0.6 121,-0.6 122,-0.3 14,-0.3 -0.499 11.5 174.8 -78.4 153.7 -18.2 7.0 4.3 54 57 A L E - 0 0 74 12,-2.8 118,-1.9 1,-0.4 2,-0.3 0.683 51.2 -9.4-118.8 -41.2 -15.9 8.3 1.6 55 58 A R E -EF 66 171B 87 11,-1.1 11,-2.5 116,-0.3 -1,-0.4 -0.984 46.3-131.3-163.7 161.0 -13.1 5.9 0.7 56 59 A I E -EF 65 170B 0 114,-2.2 114,-2.2 -2,-0.3 2,-0.4 -0.995 26.9-170.9-135.7 135.0 -11.3 2.8 1.5 57 60 A L E -EF 64 169B 34 7,-2.2 7,-2.5 -2,-0.4 2,-0.7 -0.990 25.3-146.9-134.5 127.4 -7.5 2.6 1.7 58 61 A N E -E 63 0B 0 110,-2.5 109,-2.8 -2,-0.4 5,-0.2 -0.859 21.9-179.3 -83.1 114.5 -4.9 -0.1 2.0 59 62 A N - 0 0 49 3,-1.9 4,-0.1 -2,-0.7 -1,-0.1 0.229 53.3 -99.7-102.5 10.2 -2.2 1.7 4.0 60 63 A G S S+ 0 0 5 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.395 117.7 55.2 89.8 -7.0 0.2 -1.2 4.1 61 64 A H S S- 0 0 31 1,-0.6 2,-0.2 -58,-0.1 -1,-0.1 0.564 124.2 -30.1-125.6 -28.9 -0.7 -2.3 7.6 62 65 A A S S- 0 0 6 -5,-0.1 -3,-1.9 31,-0.1 -1,-0.6 -0.864 71.3 -89.5-166.4-172.8 -4.5 -2.8 7.3 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.4 -0.990 35.0-154.7-119.0 135.9 -7.4 -1.3 5.3 64 67 A N E -E 57 0B 18 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.7 -0.915 11.4-154.3-109.3 132.8 -9.3 1.8 6.5 65 68 A V E -EG 56 90B 0 25,-2.7 25,-1.9 -2,-0.5 2,-0.3 -0.918 30.0-154.9 -95.7 112.9 -12.8 2.8 5.6 66 69 A E E -EG 55 89B 46 -11,-2.5 -12,-2.8 -2,-0.7 -11,-1.1 -0.701 8.1-156.5 -95.9 150.3 -12.7 6.5 6.2 67 70 A F E -E 53 0B 9 21,-2.4 2,-0.8 -2,-0.3 -14,-0.2 -0.781 30.4 -99.9-119.6 158.4 -15.6 8.8 7.0 68 71 A D + 0 0 37 -16,-2.5 -16,-0.3 -2,-0.3 3,-0.3 -0.767 42.0 172.7 -76.6 109.6 -16.3 12.5 6.6 69 72 A D + 0 0 38 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.069 46.4 105.1-110.4 25.5 -15.6 13.8 10.2 70 73 A S S S+ 0 0 84 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.494 88.5 29.3 -85.6 -3.1 -15.9 17.6 9.4 71 74 A Q S S- 0 0 114 -3,-0.3 2,-1.4 3,-0.0 3,-0.4 -0.953 99.5 -90.1-144.5 167.4 -19.3 17.6 11.1 72 75 A D S S+ 0 0 91 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.630 75.2 125.4 -80.5 91.9 -21.0 15.7 13.9 73 76 A K S S+ 0 0 47 -2,-1.4 -23,-0.8 1,-0.3 2,-0.6 0.748 71.3 27.6-114.3 -51.4 -22.6 12.9 11.9 74 77 A A S S+ 0 0 7 -3,-0.4 13,-3.2 -24,-0.2 2,-0.3 -0.935 81.2 166.6-118.1 104.0 -21.4 9.6 13.4 75 78 A V E -DH 47 86B 9 -28,-1.6 -28,-3.1 -2,-0.6 2,-0.5 -0.908 31.6-148.6-123.3 154.0 -20.6 10.0 17.1 76 79 A L E +DH 46 85B 0 9,-2.8 9,-2.1 -2,-0.3 2,-0.3 -0.970 31.6 158.6-115.6 125.6 -19.9 7.8 20.2 77 80 A K E +D 45 0B 85 -32,-2.3 -32,-3.2 -2,-0.5 7,-0.1 -0.871 36.7 28.4-136.8 172.1 -21.0 9.2 23.6 78 81 A G E > S+D 44 0B 21 5,-0.5 3,-2.3 -2,-0.3 -34,-0.3 -0.303 73.2 88.7 71.5-154.0 -21.8 8.0 27.0 79 82 A G T 3 S- 0 0 0 -36,-1.9 -37,-1.2 1,-0.3 -1,-0.1 -0.465 120.5 -24.9 57.6-133.9 -20.3 4.8 28.5 80 83 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.441 117.2 110.6 -80.3 -2.5 -17.1 5.9 30.2 81 84 A L < - 0 0 8 -3,-2.3 2,-0.5 -39,-0.1 -3,-0.2 -0.442 55.4-154.7 -91.4 147.3 -16.8 8.9 28.0 82 85 A D - 0 0 127 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.987 69.1 -8.5-113.4 120.0 -17.2 12.6 28.8 83 86 A G S S- 0 0 48 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.465 99.4 -39.3 92.3-161.5 -18.2 14.5 25.7 84 87 A T - 0 0 32 -2,-0.1 38,-2.7 -7,-0.1 2,-0.5 -0.899 40.2-164.9-119.7 127.8 -18.5 13.6 22.1 85 88 A Y E -HI 76 121B 6 -9,-2.1 -9,-2.8 -2,-0.4 2,-0.4 -0.958 14.9-144.4-116.7 128.3 -16.2 11.5 20.0 86 89 A R E -HI 75 120B 38 34,-2.9 34,-1.9 -2,-0.5 2,-0.3 -0.762 17.9-117.5 -97.6 128.5 -16.5 11.6 16.2 87 90 A L E + I 0 119B 3 -13,-3.2 32,-0.3 -2,-0.4 -13,-0.2 -0.421 38.2 164.6 -60.7 125.5 -16.0 8.5 13.9 88 91 A I E - 0 0 33 30,-2.6 -21,-2.4 1,-0.4 2,-0.3 0.751 60.2 -26.1-110.8 -35.0 -13.0 9.0 11.6 89 92 A Q E -GI 66 118B 30 29,-1.2 29,-2.7 -23,-0.2 -1,-0.4 -0.985 47.9-142.5-165.6 160.0 -12.3 5.5 10.3 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.7 -2,-0.3 2,-0.3 -0.978 23.3 161.8-127.3 161.0 -12.7 1.8 11.0 91 94 A H E - I 0 116B 22 25,-1.8 25,-3.1 -2,-0.3 2,-0.3 -0.902 23.6-129.1-156.2 178.1 -10.3 -1.1 10.2 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.866 0.9-147.8-133.5 160.9 -9.6 -4.6 11.3 93 96 A H E + I 0 114B 4 21,-1.8 21,-1.9 -2,-0.3 2,-0.3 -0.981 31.7 171.5-123.6 140.2 -6.7 -6.8 12.4 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-1.1 -0.961 22.3-115.5-150.2 170.7 -6.9 -10.5 11.5 95 98 A G - 0 0 0 17,-1.6 6,-0.1 5,-0.6 3,-0.1 -0.331 22.9-120.5-105.8 178.8 -4.9 -13.7 11.4 96 99 A S S S+ 0 0 44 142,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.638 106.3 29.9 -86.9 -16.6 -3.4 -16.2 9.0 97 100 A L S > S- 0 0 102 3,-0.2 3,-1.6 15,-0.1 -2,-0.2 -0.942 88.8-112.0-136.1 161.1 -5.7 -18.8 10.7 98 101 A D T 3 S+ 0 0 76 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.771 110.4 71.8 -66.3 -21.3 -9.2 -18.6 12.3 99 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.498 107.1 21.1 -75.0 -3.8 -7.4 -19.4 15.6 100 103 A Q < + 0 0 49 -3,-1.6 -5,-0.6 12,-0.1 -3,-0.2 -0.961 65.9 102.3-155.1 164.0 -5.8 -16.0 15.9 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.092 53.2 108.2 142.3 -25.0 -6.0 -12.4 14.7 102 105 A S - 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