==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 16-DEC-11 3V5G . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.D'AMBROSIO,G.DE SIMONE . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 62.6 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 . 58 22.6 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 . 33 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 5.8 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 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 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 0 2 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 0 193 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-115.5 9.6 0.0 8.3 2 5 A W + 0 0 38 1,-0.1 2,-0.2 2,-0.1 7,-0.2 -0.283 360.0 130.8 -65.4 151.8 7.6 -1.5 11.1 3 6 A G - 0 0 6 5,-3.0 10,-0.1 2,-0.2 -1,-0.1 -0.742 65.8 -76.4-165.0-145.4 5.3 -4.4 10.3 4 7 A Y S S+ 0 0 38 -2,-0.2 5,-0.2 5,-0.2 2,-0.1 0.062 83.5 109.0-127.8 23.8 4.4 -7.9 11.4 5 8 A G S > S- 0 0 38 1,-0.1 4,-1.3 4,-0.0 3,-0.5 -0.354 84.7 -97.4 -92.8 177.7 7.3 -9.9 10.2 6 9 A K T 4 S+ 0 0 171 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.830 123.7 40.7 -64.6 -30.7 10.1 -11.6 12.1 7 10 A H T 4 S+ 0 0 162 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.518 130.4 23.2 -98.4 -4.5 12.4 -8.6 11.5 8 11 A N T 4 S+ 0 0 58 -3,-0.5 -5,-3.0 -6,-0.1 -2,-0.2 0.195 96.0 117.9-144.2 16.9 10.0 -5.7 12.0 9 12 A G S >X S- 0 0 4 -4,-1.3 3,-2.6 -5,-0.2 4,-1.0 0.056 83.5 -65.3 -78.8-171.6 7.2 -7.1 14.1 10 13 A P T 34 S+ 0 0 34 0, 0.0 4,-0.4 0, 0.0 3,-0.1 0.731 128.1 59.7 -44.9 -35.2 5.9 -6.3 17.6 11 14 A E T 34 S+ 0 0 158 1,-0.2 4,-0.1 2,-0.1 -5,-0.1 0.649 109.4 44.3 -73.6 -13.9 9.1 -7.4 19.4 12 15 A H T X4 S+ 0 0 58 -3,-2.6 3,-1.8 1,-0.1 4,-0.4 0.654 87.8 87.4-101.5 -22.9 11.0 -4.7 17.4 13 16 A W G >X S+ 0 0 6 -4,-1.0 4,-2.3 1,-0.3 3,-1.2 0.786 75.2 68.9 -49.8 -37.1 8.7 -1.7 17.7 14 17 A H G 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.745 87.7 67.4 -58.5 -25.0 10.1 -0.5 21.0 15 18 A K G <4 S+ 0 0 125 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.847 117.6 21.9 -66.4 -34.1 13.3 0.6 19.3 16 19 A D T <4 S+ 0 0 133 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.623 135.7 38.6-105.4 -17.4 11.7 3.3 17.3 17 20 A F >< - 0 0 58 -4,-2.3 3,-2.5 1,-0.1 -1,-0.2 -0.699 66.0-179.6-133.5 77.5 8.6 3.7 19.5 18 21 A P G > S+ 0 0 101 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.718 74.9 76.6 -51.0 -24.8 9.8 3.4 23.1 19 22 A I G > + 0 0 54 1,-0.3 3,-2.6 179,-0.2 -5,-0.1 0.615 69.8 90.0 -64.9 -8.4 6.3 3.9 24.4 20 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.737 90.3 44.9 -58.6 -22.8 5.8 0.3 23.3 21 24 A K G < S+ 0 0 138 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 -0.023 96.2 133.5-109.4 27.1 6.9 -0.6 26.9 22 25 A G S < S- 0 0 15 -3,-2.6 3,-0.5 1,-0.1 -3,-0.0 0.087 70.1-102.0 -70.6-176.7 4.7 2.1 28.4 23 26 A E S S+ 0 0 122 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.547 112.9 32.7 -86.9 -10.7 2.3 2.1 31.3 24 27 A R S S+ 0 0 49 224,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.298 80.1 156.1-143.4 56.9 -1.0 1.8 29.4 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.505 32.1 -98.9 -86.6 153.2 -0.3 -0.2 26.2 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.886 78.4 38.9-126.4 157.6 -2.9 -2.1 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.575 66.2 176.7 -80.2-177.5 -4.1 -4.7 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.936 35.8 -99.0-142.6 163.5 -4.5 -6.6 26.8 29 32 A D E -a 105 0A 33 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.713 34.3-137.3 -84.3 137.5 -6.0 -9.9 28.0 30 33 A I E -a 106 0A 0 75,-3.1 77,-2.1 -2,-0.4 2,-1.1 -0.848 10.7-158.7-100.1 104.4 -9.4 -9.4 29.5 31 34 A D >> - 0 0 64 -2,-0.9 4,-1.9 75,-0.2 3,-0.8 -0.730 5.1-162.4 -82.1 101.2 -9.6 -11.5 32.6 32 35 A T T 34 S+ 0 0 43 -2,-1.1 -1,-0.2 1,-0.2 222,-0.0 0.750 85.5 52.3 -58.0 -28.1 -13.4 -11.8 32.9 33 36 A H T 34 S+ 0 0 168 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.768 112.4 43.8 -81.6 -25.2 -13.3 -12.9 36.6 34 37 A T T <4 S+ 0 0 103 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.731 91.3 98.7 -89.2 -25.9 -11.1 -10.0 37.7 35 38 A A < - 0 0 17 -4,-1.9 2,-0.4 218,-0.1 218,-0.2 -0.374 68.2-144.3 -61.3 140.2 -13.1 -7.4 35.7 36 39 A K E -c 253 0B 140 216,-1.7 218,-2.4 -2,-0.0 2,-0.1 -0.921 13.5-112.8-117.9 136.6 -15.5 -5.6 37.9 37 40 A Y E -c 254 0B 87 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.404 31.5-151.7 -61.3 132.0 -19.0 -4.3 37.2 38 41 A D > - 0 0 30 216,-2.5 3,-1.3 1,-0.1 -1,-0.1 -0.915 16.1-171.7-114.6 108.2 -18.9 -0.5 37.3 39 42 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.639 83.3 69.6 -71.0 -13.7 -22.2 1.2 38.4 40 43 A S T 3 S+ 0 0 85 2,-0.1 2,-0.2 40,-0.0 -2,-0.0 0.610 75.1 106.6 -79.6 -11.6 -20.7 4.7 37.5 41 44 A L < - 0 0 28 -3,-1.3 3,-0.1 213,-0.2 38,-0.0 -0.509 64.8-142.8 -71.2 131.9 -20.8 3.7 33.8 42 45 A K E -D 79 0B 129 37,-1.8 37,-0.7 -2,-0.2 39,-0.1 -0.507 39.1 -72.9 -89.4 161.5 -23.5 5.6 31.9 43 46 A P E - 0 0 118 0, 0.0 36,-0.7 0, 0.0 2,-0.3 -0.268 53.6-117.2 -55.0 137.7 -25.5 3.9 29.1 44 47 A L E -D 78 0B 25 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.592 27.6-159.2 -78.7 139.1 -23.4 3.5 25.9 45 48 A S E +D 77 0B 41 32,-3.2 32,-2.3 -2,-0.3 2,-0.6 -0.950 14.1 179.3-126.5 113.3 -24.6 5.3 22.9 46 49 A V E +D 76 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.941 6.5 179.1-111.6 108.5 -23.6 4.4 19.3 47 50 A S E +D 75 0B 47 28,-2.9 28,-1.8 -2,-0.6 3,-0.3 -0.787 20.1 147.2-116.0 89.8 -25.3 6.7 16.8 48 51 A Y > + 0 0 4 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.246 35.1 110.4-104.5 11.2 -24.3 5.8 13.3 49 52 A D T 3 S+ 0 0 93 1,-0.3 -1,-0.2 128,-0.1 -2,-0.0 0.765 86.4 41.0 -58.6 -26.0 -27.5 6.7 11.5 50 53 A Q T 3 S+ 0 0 102 -3,-0.3 -1,-0.3 25,-0.0 -2,-0.1 0.311 82.7 143.7-104.6 7.7 -25.8 9.6 9.8 51 54 A A < - 0 0 21 -3,-1.7 2,-0.5 1,-0.1 18,-0.1 -0.179 32.3-162.6 -52.2 133.9 -22.4 7.9 9.0 52 55 A T - 0 0 53 16,-0.3 16,-2.9 122,-0.1 2,-0.1 -0.872 3.2-162.4-125.2 97.6 -20.9 9.0 5.7 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.445 11.7 176.0 -75.9 152.1 -18.2 6.6 4.4 54 57 A L E - 0 0 84 12,-3.2 118,-2.2 1,-0.4 2,-0.3 0.720 52.0 -11.2-121.9 -48.4 -15.8 8.0 1.8 55 58 A R E -EF 66 171B 83 11,-1.0 11,-2.9 116,-0.3 -1,-0.4 -0.946 47.3-131.1-154.1 167.0 -13.1 5.6 0.8 56 59 A I E -EF 65 170B 0 114,-2.3 114,-2.0 -2,-0.3 2,-0.4 -0.994 27.3-169.3-128.0 134.8 -11.3 2.3 1.6 57 60 A L E -EF 64 169B 32 7,-2.2 7,-2.6 -2,-0.4 2,-0.8 -0.982 25.0-145.9-133.0 136.1 -7.5 2.1 1.8 58 61 A N E -E 63 0B 0 110,-2.7 109,-2.7 -2,-0.4 5,-0.2 -0.883 22.1-179.6 -93.6 110.9 -4.9 -0.6 2.0 59 62 A N - 0 0 50 3,-2.1 4,-0.1 -2,-0.8 -1,-0.1 0.252 53.3-100.0 -98.0 13.3 -2.2 1.1 4.1 60 63 A G S S+ 0 0 6 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.454 118.1 55.2 85.6 -1.1 0.2 -1.8 4.1 61 64 A H S S- 0 0 40 1,-0.7 2,-0.3 -58,-0.1 166,-0.1 0.524 124.2 -31.5-130.0 -29.3 -0.9 -2.9 7.6 62 65 A A S S- 0 0 4 -5,-0.1 -3,-2.1 164,-0.1 -1,-0.7 -0.878 71.6 -88.6-170.5-172.3 -4.7 -3.4 7.3 63 66 A F E -E 58 0B 0 -2,-0.3 29,-0.5 29,-0.2 2,-0.5 -0.980 34.7-152.1-121.1 135.5 -7.4 -1.7 5.3 64 67 A N E -E 57 0B 20 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.8 -0.919 9.6-152.6-110.9 129.5 -9.3 1.3 6.5 65 68 A V E -EG 56 90B 0 25,-2.7 25,-1.7 -2,-0.5 2,-0.3 -0.900 30.2-152.9 -95.7 113.4 -12.8 2.3 5.7 66 69 A E E -EG 55 89B 46 -11,-2.9 -12,-3.2 -2,-0.8 -11,-1.0 -0.674 8.4-155.6 -94.5 145.9 -12.6 6.1 6.1 67 70 A F E -E 53 0B 9 21,-2.6 2,-0.9 -2,-0.3 -14,-0.2 -0.813 26.7-108.9-119.1 157.1 -15.5 8.4 7.0 68 71 A D + 0 0 49 -16,-2.9 -16,-0.3 -2,-0.3 3,-0.3 -0.773 39.2 172.3 -83.3 109.7 -16.3 12.1 6.5 69 72 A D + 0 0 40 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 0.004 45.7 105.6-108.9 26.0 -15.9 13.5 10.0 70 73 A S S S+ 0 0 79 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.636 80.7 46.4 -80.1 -14.1 -16.2 17.2 9.1 71 74 A Q S S- 0 0 107 -3,-0.3 2,-2.0 2,-0.0 0, 0.0 -0.852 103.2 -87.2-126.5 162.7 -19.7 17.3 10.5 72 75 A D S S+ 0 0 121 -2,-0.3 2,-0.3 14,-0.1 3,-0.1 -0.479 81.3 123.6 -70.2 82.5 -21.4 16.1 13.7 73 76 A K + 0 0 46 -2,-2.0 14,-0.4 1,-0.3 -25,-0.1 -0.935 53.0 20.5-140.1 161.5 -22.3 12.6 12.4 74 77 A A S S+ 0 0 5 -2,-0.3 13,-2.8 1,-0.1 2,-0.3 0.929 78.6 177.6 41.0 85.8 -21.6 9.0 13.5 75 78 A V E -DH 47 86B 17 -28,-1.8 -28,-2.9 11,-0.2 2,-0.4 -0.882 28.9-153.4-124.3 153.2 -20.9 9.5 17.2 76 79 A L E +DH 46 85B 0 9,-3.0 9,-2.4 -2,-0.3 2,-0.3 -0.975 31.4 146.4-120.5 131.4 -20.1 7.4 20.2 77 80 A K E +D 45 0B 86 -32,-2.3 -32,-3.2 -2,-0.4 7,-0.1 -0.912 31.4 46.7-152.2 178.3 -20.9 8.7 23.7 78 81 A G E > S+D 44 0B 16 5,-0.5 3,-2.1 3,-0.4 -34,-0.3 -0.324 73.2 77.3 79.0-164.5 -22.0 7.5 27.1 79 82 A G E 3 S-D 42 0B 5 -37,-0.7 -37,-1.8 -36,-0.7 -1,-0.1 -0.425 123.0 -21.3 62.0-130.8 -20.4 4.5 28.9 80 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.510 114.7 111.6 -87.7 -4.6 -17.0 5.6 30.4 81 84 A L < - 0 0 8 -3,-2.1 2,-0.6 -39,-0.1 -3,-0.4 -0.459 55.2-154.9 -80.0 139.6 -16.8 8.5 27.9 82 85 A D - 0 0 118 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.953 69.5 -8.9-110.1 114.7 -17.1 12.1 28.8 83 86 A G S S- 0 0 48 -2,-0.6 -5,-0.5 39,-0.1 2,-0.4 -0.560 100.6 -45.7 99.3-164.2 -18.3 14.1 25.8 84 87 A T - 0 0 27 -2,-0.2 38,-2.6 -7,-0.1 2,-0.5 -0.915 41.6-159.2-115.7 137.8 -18.8 13.1 22.2 85 88 A Y E -HI 76 121B 3 -9,-2.4 -9,-3.0 -2,-0.4 2,-0.4 -0.962 13.6-142.6-117.3 130.1 -16.4 11.0 20.0 86 89 A R E -HI 75 120B 37 34,-2.7 34,-2.0 -2,-0.5 2,-0.2 -0.773 17.5-118.1 -98.8 132.4 -16.7 11.2 16.2 87 90 A L E + I 0 119B 2 -13,-2.8 32,-0.3 -14,-0.4 -14,-0.1 -0.465 38.2 163.4 -67.4 128.1 -16.1 8.1 14.0 88 91 A I E - 0 0 36 30,-2.8 -21,-2.6 1,-0.4 2,-0.3 0.680 60.9 -23.8-115.4 -32.6 -13.2 8.6 11.6 89 92 A Q E -GI 66 118B 34 29,-1.2 29,-3.0 -23,-0.2 -1,-0.4 -0.982 47.9-146.8-171.1 162.4 -12.4 5.1 10.3 90 93 A F E +GI 65 117B 0 -25,-1.7 -25,-2.7 -2,-0.3 2,-0.3 -0.973 21.2 161.4-138.6 155.0 -12.7 1.4 11.1 91 94 A H E - I 0 116B 23 25,-1.6 25,-3.2 -2,-0.3 2,-0.3 -0.935 24.8-122.4-158.3 175.7 -10.4 -1.5 10.2 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.821 1.5-149.6-127.9 166.1 -9.7 -5.1 11.3 93 96 A H E + I 0 114B 2 21,-1.6 21,-2.2 -2,-0.3 2,-0.3 -0.989 32.1 168.0-131.1 133.9 -6.9 -7.2 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.8 -0.933 24.4-117.9-146.9 170.6 -6.9 -10.9 11.6 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.408 24.3-118.7-106.6-179.0 -5.0 -14.1 11.5 96 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.599 105.7 32.2 -89.2 -15.1 -3.6 -16.7 9.1 97 100 A L S > S- 0 0 107 3,-0.2 3,-1.5 15,-0.1 -2,-0.2 -0.928 88.5-113.0-137.0 158.0 -5.8 -19.3 10.7 98 101 A D T 3 S+ 0 0 72 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.765 109.5 71.5 -64.5 -24.5 -9.2 -19.1 12.4 99 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.482 107.3 23.7 -72.4 -2.3 -7.6 -19.9 15.7 100 103 A Q < + 0 0 55 -3,-1.5 -5,-0.7 12,-0.1 -3,-0.2 -0.961 65.3 102.6-153.9 166.8 -5.9 -16.5 16.0 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.026 52.7 105.7 146.1 -35.4 -6.2 -12.9 14.8 102 105 A S - 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