==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/INHIBITOR 08-OCT-10 3P5A . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.AGGARWAL,R.MCKENNA . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11866.0 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 . 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 . 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 . 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 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 156.9 10.0 0.5 8.8 2 5 A W + 0 0 33 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.292 360.0 132.8 -67.4 152.2 7.8 -1.2 11.4 3 6 A G - 0 0 11 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.757 64.2 -79.5-163.5-145.0 5.5 -4.1 10.4 4 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.196 82.9 109.6-126.2 14.2 4.4 -7.6 11.5 5 8 A G S > S- 0 0 41 1,-0.1 4,-1.7 4,-0.1 3,-0.4 -0.244 83.8 -97.7 -84.1 175.9 7.3 -9.7 10.3 6 9 A K T 4 S+ 0 0 173 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.857 123.2 41.0 -61.1 -33.3 10.1 -11.4 12.2 7 10 A H T 4 S+ 0 0 153 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.601 130.8 21.8 -98.5 -7.8 12.5 -8.6 11.7 8 11 A N T 4 S+ 0 0 56 -3,-0.4 -5,-2.5 -6,-0.1 -2,-0.2 0.259 96.6 115.0-140.2 15.1 10.2 -5.6 12.2 9 12 A G S >X S- 0 0 4 -4,-1.7 3,-2.9 -5,-0.2 4,-0.9 0.116 84.4 -60.7 -84.0-170.2 7.3 -6.9 14.2 10 13 A P T 34 S+ 0 0 30 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.709 128.3 58.8 -47.1 -31.7 5.9 -6.3 17.7 11 14 A E T 34 S+ 0 0 144 1,-0.2 -5,-0.0 2,-0.1 3,-0.0 0.610 110.8 44.1 -75.5 -14.1 9.1 -7.4 19.5 12 15 A H T X> S+ 0 0 57 -3,-2.9 3,-1.8 1,-0.1 4,-0.5 0.605 87.4 88.0 -98.3 -21.6 11.1 -4.7 17.6 13 16 A W H >X S+ 0 0 5 -4,-0.9 4,-2.6 1,-0.3 3,-0.8 0.789 74.2 69.5 -57.0 -30.7 8.8 -1.7 17.9 14 17 A H H 34 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.737 88.2 66.7 -61.4 -22.8 10.1 -0.4 21.2 15 18 A K H <4 S+ 0 0 133 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.918 117.3 23.4 -70.3 -38.2 13.4 0.6 19.5 16 19 A D H << S+ 0 0 123 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.756 136.2 37.0 -91.8 -26.0 11.7 3.3 17.5 17 20 A F >< - 0 0 55 -4,-2.6 3,-2.5 1,-0.1 -1,-0.2 -0.775 64.5-178.9-129.8 78.9 8.7 3.7 19.9 18 21 A P G > S+ 0 0 99 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.726 75.5 76.9 -57.1 -20.3 9.9 3.4 23.5 19 22 A I G > S+ 0 0 54 1,-0.3 3,-2.6 179,-0.2 5,-0.2 0.651 70.3 89.3 -65.0 -10.6 6.3 3.9 24.7 20 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.734 91.0 44.2 -54.4 -25.9 5.9 0.3 23.6 21 24 A K G < S+ 0 0 140 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.018 96.9 129.6-106.3 24.7 7.0 -0.6 27.2 22 25 A G S < S- 0 0 14 -3,-2.6 3,-0.5 1,-0.1 -3,-0.0 0.100 72.2 -99.0 -74.2-172.7 4.8 2.1 28.8 23 26 A E S S+ 0 0 125 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.570 112.8 33.6 -89.2 -11.0 2.3 2.0 31.6 24 27 A R S S+ 0 0 46 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.278 78.9 155.4-144.6 55.7 -0.9 1.8 29.6 25 28 A Q - 0 0 4 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.496 31.9-101.2 -86.3 152.6 -0.3 -0.3 26.5 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.874 76.8 41.0-126.7 158.7 -2.8 -2.2 24.5 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.606 65.6 176.9 -79.8 179.0 -4.1 -4.8 23.7 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.925 36.1 -99.2-135.2 161.6 -4.5 -6.7 27.0 29 32 A D E -a 105 0A 27 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.717 33.4-139.6 -75.5 133.5 -6.0 -10.0 28.1 30 33 A I E -a 106 0A 0 75,-2.9 77,-2.7 -2,-0.4 2,-0.9 -0.874 10.7-158.9 -98.5 103.8 -9.4 -9.5 29.6 31 34 A D >> - 0 0 69 -2,-0.8 4,-1.5 75,-0.2 3,-0.7 -0.794 5.2-160.8 -84.2 105.1 -9.6 -11.8 32.6 32 35 A T T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.790 85.7 52.2 -66.0 -27.1 -13.4 -12.0 32.9 33 36 A H T 34 S+ 0 0 172 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.808 113.6 43.9 -80.9 -24.0 -13.4 -13.2 36.5 34 37 A T T <4 S+ 0 0 101 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.597 87.8 101.9 -94.3 -17.5 -11.2 -10.3 37.6 35 38 A A S < S- 0 0 17 -4,-1.5 2,-0.5 216,-0.1 218,-0.2 -0.392 72.1-130.1 -63.4 145.8 -12.9 -7.5 35.7 36 39 A K E -c 253 0B 127 216,-2.2 218,-2.5 -2,-0.0 2,-0.2 -0.898 7.3-126.1-108.1 128.0 -15.1 -5.5 38.0 37 40 A Y E -c 254 0B 83 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.451 22.1-161.0 -60.8 131.9 -18.7 -4.7 37.4 38 41 A D > - 0 0 34 216,-2.5 3,-2.0 -2,-0.2 -1,-0.1 -0.891 8.4-168.8-120.0 98.3 -19.2 -0.9 37.7 39 42 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.674 85.2 64.6 -65.3 -13.5 -22.9 -0.1 38.2 40 43 A S T 3 S+ 0 0 89 -3,-0.1 2,-0.2 2,-0.1 215,-0.1 0.634 74.8 108.7 -80.9 -17.2 -22.1 3.6 37.6 41 44 A L < - 0 0 28 -3,-2.0 3,-0.1 213,-0.2 -3,-0.0 -0.457 67.6-135.0 -63.0 127.8 -21.1 3.0 34.0 42 45 A K - 0 0 134 37,-1.0 39,-0.1 -2,-0.2 -1,-0.1 -0.294 27.8 -88.5 -77.2 160.0 -23.7 4.4 31.7 43 46 A P - 0 0 111 0, 0.0 36,-1.6 0, 0.0 -1,-0.1 -0.436 49.7-105.2 -64.4 151.3 -25.1 2.6 28.6 44 47 A L E -D 78 0B 16 34,-0.3 2,-0.5 141,-0.3 34,-0.2 -0.457 26.4-148.2 -73.0 145.2 -23.1 3.2 25.5 45 48 A S E -D 77 0B 50 32,-2.7 32,-2.3 -2,-0.1 2,-0.7 -0.957 15.2-177.7-119.1 108.7 -24.6 5.5 22.9 46 49 A V E -D 76 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.932 0.7-177.1-106.7 108.9 -23.7 4.6 19.4 47 50 A S E +D 75 0B 43 28,-2.9 28,-2.1 -2,-0.7 3,-0.2 -0.807 25.1 141.4-113.6 89.5 -25.2 7.1 16.9 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.8 26,-0.2 130,-0.2 0.283 34.4 105.9-109.7 7.1 -24.3 6.0 13.4 49 52 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.821 88.6 40.8 -62.6 -28.9 -27.5 6.8 11.5 50 53 A Q T 3 S+ 0 0 128 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.195 84.1 144.9-102.3 15.3 -26.0 9.8 9.8 51 54 A A < - 0 0 23 -3,-1.8 2,-0.5 1,-0.1 23,-0.1 -0.250 34.3-158.8 -57.4 139.3 -22.6 8.2 9.1 52 55 A T - 0 0 46 16,-0.3 16,-2.7 122,-0.1 2,-0.1 -0.882 5.6-165.0-123.0 95.9 -21.0 9.2 5.9 53 56 A S E +E 67 0B 2 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.478 11.5 173.6 -74.7 151.3 -18.3 6.8 4.6 54 57 A L E - 0 0 78 12,-3.0 118,-2.1 1,-0.4 119,-0.3 0.691 49.3 -5.8-121.4 -45.4 -16.0 8.0 1.9 55 58 A R E -EF 66 171B 89 11,-1.0 11,-3.0 117,-0.3 -1,-0.4 -0.984 45.7-135.3-160.0 153.3 -13.2 5.7 0.9 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.2 -2,-0.3 2,-0.4 -0.993 27.0-171.1-124.0 134.7 -11.4 2.5 1.7 57 60 A L E -EF 64 169B 32 7,-2.2 7,-2.6 -2,-0.4 2,-0.7 -0.988 25.0-145.2-131.1 130.7 -7.6 2.4 1.8 58 61 A N E -E 63 0B 0 110,-2.8 109,-3.0 -2,-0.4 5,-0.2 -0.874 22.5-178.8 -86.9 112.9 -5.0 -0.3 2.0 59 62 A N - 0 0 41 3,-2.0 4,-0.1 -2,-0.7 -1,-0.1 0.275 52.7 -97.7-100.1 9.9 -2.3 1.5 4.1 60 63 A G S S+ 0 0 14 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.291 118.1 48.9 94.2 -11.3 0.2 -1.4 4.1 61 64 A H S S- 0 0 46 1,-0.5 2,-0.2 -58,-0.1 166,-0.1 0.544 124.9 -21.1-128.1 -21.3 -0.8 -2.8 7.5 62 65 A A S S- 0 0 3 -5,-0.1 -3,-2.0 165,-0.1 -2,-0.5 -0.863 71.2 -93.1-159.4-173.1 -4.6 -3.0 7.3 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.4 -0.987 33.2-153.9-114.7 137.9 -7.4 -1.5 5.3 64 67 A N E -E 57 0B 21 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.7 -0.931 7.9-153.7-109.1 127.8 -9.2 1.6 6.7 65 68 A V E -EG 56 90B 0 25,-2.8 25,-2.0 -2,-0.5 2,-0.3 -0.923 29.2-151.3 -94.2 116.9 -12.8 2.5 5.8 66 69 A E E -EG 55 89B 46 -11,-3.0 -12,-3.0 -2,-0.7 -11,-1.0 -0.689 11.8-161.2 -99.8 146.7 -12.8 6.3 6.3 67 70 A F E -E 53 0B 8 21,-2.5 2,-0.8 -2,-0.3 -14,-0.2 -0.827 32.4 -98.5-122.9 157.8 -15.6 8.6 7.3 68 71 A D + 0 0 33 -16,-2.7 -16,-0.3 -2,-0.3 5,-0.3 -0.681 42.4 171.2 -72.1 108.9 -16.4 12.3 7.0 69 72 A D + 0 0 41 -2,-0.8 -1,-0.1 1,-0.1 17,-0.1 -0.010 48.3 101.9-111.1 27.0 -15.5 13.5 10.5 70 73 A S S S+ 0 0 83 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.414 91.0 25.1 -90.1 2.4 -15.9 17.2 9.8 71 74 A Q S S- 0 0 118 -3,-0.2 2,-2.3 3,-0.1 3,-0.4 -0.948 100.0 -87.6-150.8 165.3 -19.3 17.3 11.6 72 75 A D S S+ 0 0 88 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.386 75.2 131.8 -74.5 66.1 -21.0 15.2 14.3 73 76 A K S S+ 0 0 49 -2,-2.3 -23,-0.8 1,-0.3 2,-0.4 0.789 74.3 19.1 -89.5 -36.9 -22.4 12.6 11.8 74 77 A A S S+ 0 0 6 -3,-0.4 13,-2.9 -6,-0.2 2,-0.4 -0.942 83.8 170.3-138.6 112.5 -21.4 9.4 13.5 75 78 A V E -DH 47 86B 14 -28,-2.1 -28,-2.9 -2,-0.4 2,-0.4 -0.947 29.6-147.6-134.8 151.7 -20.6 9.6 17.2 76 79 A L E +DH 46 85B 0 9,-2.8 9,-2.3 -2,-0.4 2,-0.3 -0.955 31.5 155.9-114.9 132.9 -19.9 7.6 20.3 77 80 A K E +D 45 0B 93 -32,-2.3 -32,-2.7 -2,-0.4 7,-0.1 -0.870 35.8 31.8-145.1 172.0 -21.0 8.9 23.7 78 81 A G E > S+D 44 0B 18 5,-0.4 3,-2.4 3,-0.3 -34,-0.3 -0.252 72.1 86.6 72.3-154.3 -21.9 7.6 27.1 79 82 A G T 3 S- 0 0 6 -36,-1.6 -37,-1.0 1,-0.3 -1,-0.1 -0.411 120.6 -23.3 55.7-133.4 -20.4 4.5 28.7 80 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.473 116.9 110.2 -81.3 -2.8 -17.2 5.6 30.4 81 84 A L < - 0 0 11 -3,-2.4 2,-0.5 -39,-0.1 -3,-0.3 -0.501 54.7-155.5 -86.8 142.4 -16.9 8.6 28.2 82 85 A D - 0 0 134 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.936 68.9 -5.4-101.5 132.7 -17.3 12.3 28.9 83 86 A G S S- 0 0 49 -2,-0.5 -5,-0.4 38,-0.1 2,-0.4 -0.349 98.8 -44.3 81.5-162.4 -18.2 14.3 25.8 84 87 A T - 0 0 27 -7,-0.1 38,-2.6 -2,-0.1 2,-0.5 -0.899 40.1-163.8-123.9 128.6 -18.6 13.3 22.2 85 88 A Y E -HI 76 121B 5 -9,-2.3 -9,-2.8 -2,-0.4 2,-0.4 -0.976 14.8-142.6-117.2 128.6 -16.3 11.2 20.1 86 89 A R E -HI 75 120B 44 34,-2.7 34,-2.1 -2,-0.5 2,-0.3 -0.740 17.7-118.1 -95.9 135.2 -16.5 11.3 16.3 87 90 A L E + I 0 119B 2 -13,-2.9 32,-0.3 -2,-0.4 -13,-0.1 -0.498 37.5 165.6 -68.9 124.1 -16.0 8.2 14.1 88 91 A I E - 0 0 32 30,-2.6 -21,-2.5 1,-0.4 2,-0.3 0.731 60.1 -27.4-106.7 -36.4 -13.1 8.7 11.7 89 92 A Q E -GI 66 118B 34 29,-1.1 29,-2.8 -23,-0.2 -1,-0.4 -0.984 47.3-140.1-167.2 161.0 -12.4 5.2 10.4 90 93 A F E +GI 65 117B 0 -25,-2.0 -25,-2.8 -2,-0.3 2,-0.3 -0.965 23.9 161.6-128.0 156.9 -12.7 1.5 11.1 91 94 A H E - I 0 116B 23 25,-1.8 25,-3.1 -2,-0.3 2,-0.3 -0.926 23.8-127.2-154.6 174.4 -10.3 -1.3 10.4 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.877 0.9-147.5-126.4 163.4 -9.6 -4.9 11.4 93 96 A H E + I 0 114B 4 21,-2.1 21,-2.3 -2,-0.3 2,-0.3 -0.979 33.3 170.1-124.6 136.7 -6.8 -7.0 12.7 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.9 -0.932 23.7-117.2-150.9 167.7 -6.8 -10.7 11.6 95 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.6 3,-0.1 -0.477 21.9-124.5-101.3 173.4 -5.0 -13.9 11.5 96 99 A S S S+ 0 0 43 -2,-0.2 2,-0.3 142,-0.2 5,-0.1 0.578 104.9 33.4 -84.8 -13.4 -3.5 -16.4 9.0 97 100 A L S > S- 0 0 103 3,-0.2 3,-1.7 15,-0.1 -2,-0.1 -0.951 89.9-113.1-140.8 152.6 -5.7 -19.1 10.8 98 101 A D T 3 S+ 0 0 76 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.757 110.0 67.7 -63.9 -23.1 -9.1 -18.9 12.4 99 102 A G T 3 S+ 0 0 55 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.379 107.0 32.6 -80.6 7.3 -7.5 -19.6 15.9 100 103 A Q < + 0 0 51 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.2 -0.977 65.8 95.1-153.5 163.8 -5.7 -16.3 16.0 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.007 55.5 105.3 143.0 -31.8 -6.1 -12.7 14.8 102 105 A S - 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