==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/INHIBITOR 08-OCT-10 3P5L . 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) . 11857.0 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 0 193 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.8 10.0 0.3 8.8 2 5 A W + 0 0 31 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.242 360.0 129.2 -64.7 152.8 7.7 -1.4 11.4 3 6 A G - 0 0 10 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.774 66.0 -77.6-167.6-142.9 5.4 -4.2 10.4 4 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.169 83.0 109.7-128.3 15.3 4.4 -7.7 11.5 5 8 A G S > S- 0 0 40 1,-0.1 4,-1.5 4,-0.1 3,-0.5 -0.264 84.1 -95.3 -85.3 178.0 7.3 -9.8 10.2 6 9 A K T 4 S+ 0 0 177 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.829 123.6 39.4 -59.7 -31.6 10.1 -11.6 12.1 7 10 A H T 4 S+ 0 0 152 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.580 130.1 23.8-101.8 -8.3 12.4 -8.7 11.7 8 11 A N T 4 S+ 0 0 56 -3,-0.5 -5,-2.5 -6,-0.1 -2,-0.2 0.235 94.1 121.0-140.0 14.5 10.2 -5.7 12.2 9 12 A G S >X S- 0 0 4 -4,-1.5 3,-2.8 -5,-0.2 4,-0.8 0.125 81.9 -66.9 -77.4-174.2 7.3 -7.1 14.2 10 13 A P T 34 S+ 0 0 29 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.752 128.1 59.8 -48.7 -32.1 5.9 -6.2 17.7 11 14 A E T 34 S+ 0 0 143 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.621 109.8 44.9 -74.0 -13.1 9.0 -7.3 19.6 12 15 A H T X> S+ 0 0 60 -3,-2.8 3,-1.7 1,-0.1 4,-0.5 0.565 87.0 89.1 -96.8 -19.8 11.0 -4.7 17.6 13 16 A W H >X S+ 0 0 5 -4,-0.8 4,-2.4 -3,-0.5 3,-0.7 0.791 73.3 69.7 -58.6 -29.4 8.7 -1.7 17.8 14 17 A H H 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.750 87.9 67.0 -63.1 -22.2 10.1 -0.4 21.1 15 18 A K H <4 S+ 0 0 131 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.931 117.1 22.7 -68.0 -44.5 13.3 0.6 19.4 16 19 A D H << S+ 0 0 126 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.695 136.4 37.6 -86.1 -23.0 11.6 3.3 17.3 17 20 A F >< - 0 0 54 -4,-2.4 3,-2.5 1,-0.1 -1,-0.2 -0.780 64.6-178.6-132.1 81.1 8.6 3.8 19.7 18 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.725 76.1 76.3 -61.5 -19.8 9.8 3.5 23.3 19 22 A I G > S+ 0 0 56 1,-0.3 3,-2.6 179,-0.2 -5,-0.1 0.655 70.1 89.1 -65.9 -10.5 6.3 4.0 24.5 20 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.758 90.8 44.8 -54.7 -26.1 5.8 0.3 23.4 21 24 A K G < S+ 0 0 140 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.002 96.3 131.5-105.2 25.2 7.0 -0.5 27.0 22 25 A G S < S- 0 0 15 -3,-2.6 3,-0.5 1,-0.1 -3,-0.0 0.089 71.1-100.0 -74.2-175.2 4.7 2.2 28.6 23 26 A E S S+ 0 0 122 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.584 113.0 32.9 -86.8 -12.4 2.3 2.1 31.4 24 27 A R S S+ 0 0 49 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.308 79.6 156.1-142.8 57.8 -1.0 1.8 29.5 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.469 31.5-100.1 -86.2 152.0 -0.3 -0.2 26.4 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.895 77.7 40.4-126.5 159.1 -2.8 -2.2 24.4 27 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.610 65.4 176.1 -78.2 179.4 -4.1 -4.7 23.7 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.919 36.3 -99.3-136.2 161.4 -4.5 -6.7 27.0 29 32 A D E -a 105 0A 28 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.728 33.5-138.0 -76.0 136.4 -6.1 -9.9 28.1 30 33 A I E -a 106 0A 0 75,-3.0 77,-2.7 -2,-0.4 2,-1.0 -0.863 10.9-157.7 -98.3 105.4 -9.5 -9.4 29.6 31 34 A D >> - 0 0 69 -2,-0.8 4,-1.6 75,-0.2 3,-0.7 -0.786 5.0-161.2 -85.5 105.1 -9.7 -11.6 32.6 32 35 A T T 34 S+ 0 0 43 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.768 85.8 51.7 -64.9 -29.9 -13.5 -11.9 32.9 33 36 A H T 34 S+ 0 0 173 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.790 113.7 44.8 -80.3 -22.0 -13.5 -13.0 36.5 34 37 A T T <4 S+ 0 0 113 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.660 88.6 98.4 -94.2 -21.0 -11.3 -10.1 37.6 35 38 A A S < S- 0 0 17 -4,-1.6 2,-0.5 218,-0.1 218,-0.2 -0.470 71.2-136.6 -64.2 136.9 -13.1 -7.3 35.7 36 39 A K E -c 253 0B 136 216,-1.8 218,-2.5 -2,-0.1 2,-0.1 -0.848 9.3-119.1-106.3 134.2 -15.4 -5.5 38.0 37 40 A Y E -c 254 0B 86 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.429 24.8-159.1 -61.8 132.2 -19.0 -4.5 37.2 38 41 A D > - 0 0 39 216,-2.6 3,-1.9 -2,-0.1 -1,-0.1 -0.902 7.1-169.6-118.0 98.0 -19.2 -0.7 37.5 39 42 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.644 82.8 66.5 -70.6 -9.5 -22.8 0.2 38.1 40 43 A S T 3 S+ 0 0 91 2,-0.1 2,-0.1 -3,-0.1 215,-0.1 0.599 75.1 106.0 -83.6 -16.4 -22.0 3.9 37.5 41 44 A L < - 0 0 31 -3,-1.9 3,-0.1 213,-0.2 38,-0.0 -0.460 68.2-135.6 -60.7 135.7 -21.1 3.3 33.8 42 45 A K - 0 0 132 37,-1.2 39,-0.1 -2,-0.1 3,-0.1 -0.521 29.5 -89.2 -86.8 158.8 -23.9 4.6 31.5 43 46 A P - 0 0 112 0, 0.0 36,-1.4 0, 0.0 -1,-0.1 -0.396 50.8-102.5 -62.8 150.3 -25.1 2.7 28.5 44 47 A L E -D 78 0B 17 34,-0.3 2,-0.5 141,-0.2 34,-0.2 -0.418 26.1-149.2 -66.5 148.7 -23.2 3.3 25.4 45 48 A S E -D 77 0B 43 32,-2.8 32,-2.3 -2,-0.1 2,-0.6 -0.957 15.2-178.4-121.5 108.3 -24.7 5.6 22.8 46 49 A V E -D 76 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.935 1.8-177.5-107.2 109.5 -23.7 4.6 19.3 47 50 A S E +D 75 0B 44 28,-2.9 28,-2.0 -2,-0.6 3,-0.2 -0.789 24.2 142.7-115.1 88.6 -25.3 7.0 16.8 48 51 A Y > + 0 0 3 -2,-0.7 3,-2.0 26,-0.2 130,-0.2 0.354 34.0 106.7-107.9 3.3 -24.4 5.9 13.3 49 52 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.802 88.4 41.0 -55.7 -31.1 -27.6 6.7 11.3 50 53 A Q T 3 S+ 0 0 130 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.183 83.4 143.6-102.2 15.8 -26.0 9.8 9.6 51 54 A A < - 0 0 23 -3,-2.0 2,-0.5 22,-0.1 18,-0.1 -0.236 35.0-158.6 -58.9 141.6 -22.6 8.2 8.9 52 55 A T - 0 0 46 16,-0.3 16,-2.8 122,-0.1 2,-0.2 -0.881 5.2-164.8-125.0 97.0 -20.9 9.2 5.6 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.7 122,-0.3 14,-0.3 -0.509 11.8 173.5 -74.8 149.5 -18.3 6.7 4.5 54 57 A L E - 0 0 78 12,-3.1 118,-2.2 1,-0.4 2,-0.3 0.698 49.3 -4.7-121.6 -42.7 -16.0 8.0 1.7 55 58 A R E -EF 66 171B 83 11,-1.0 11,-3.0 116,-0.3 2,-0.4 -0.982 46.5-134.7-158.9 155.2 -13.2 5.7 0.8 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.3 -2,-0.3 2,-0.4 -0.992 26.4-170.5-123.9 135.4 -11.3 2.4 1.6 57 60 A L E -EF 64 169B 34 7,-2.3 7,-2.6 -2,-0.4 2,-0.7 -0.985 24.4-145.9-130.8 131.2 -7.5 2.4 1.7 58 61 A N E -E 63 0B 0 110,-2.8 109,-2.9 -2,-0.4 5,-0.2 -0.876 21.8-177.8 -87.4 109.8 -4.9 -0.4 2.0 59 62 A N - 0 0 45 3,-1.8 4,-0.1 -2,-0.7 -1,-0.1 0.271 52.3 -98.8 -97.5 11.0 -2.3 1.4 4.1 60 63 A G S S+ 0 0 16 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.312 118.3 50.9 91.1 -9.5 0.2 -1.5 4.1 61 64 A H S S- 0 0 43 1,-0.5 2,-0.2 -58,-0.1 166,-0.1 0.558 124.5 -24.8-127.5 -22.2 -0.8 -2.8 7.5 62 65 A A S S- 0 0 0 -5,-0.1 -3,-1.8 165,-0.1 -2,-0.5 -0.855 71.7 -90.1-162.5-171.1 -4.6 -3.1 7.3 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.4 -0.995 33.3-152.4-117.5 136.6 -7.5 -1.5 5.3 64 67 A N E -E 57 0B 21 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.7 -0.907 6.7-153.7-107.5 125.4 -9.2 1.6 6.6 65 68 A V E -EG 56 90B 0 25,-2.9 25,-1.9 -2,-0.5 2,-0.3 -0.915 28.9-151.8 -91.8 115.6 -12.8 2.4 5.8 66 69 A E E -EG 55 89B 44 -11,-3.0 -12,-3.1 -2,-0.7 -11,-1.0 -0.695 12.1-162.7 -99.7 147.4 -12.8 6.2 6.1 67 70 A F E -E 53 0B 10 21,-2.5 2,-0.8 -2,-0.3 -14,-0.2 -0.850 32.8 -98.6-124.0 158.0 -15.7 8.5 7.1 68 71 A D + 0 0 33 -16,-2.8 -16,-0.3 -2,-0.3 3,-0.3 -0.674 42.8 170.7 -74.6 109.4 -16.5 12.2 6.8 69 72 A D + 0 0 43 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.074 47.4 102.5-112.7 30.0 -15.6 13.5 10.3 70 73 A S S S+ 0 0 83 56,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.390 90.5 28.4 -92.4 1.9 -15.9 17.2 9.5 71 74 A Q S S- 0 0 118 -3,-0.3 2,-1.8 3,-0.1 3,-0.4 -0.953 99.8 -90.4-148.9 162.6 -19.3 17.3 11.3 72 75 A D S S+ 0 0 89 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.578 74.1 132.1 -75.3 83.2 -20.9 15.3 14.1 73 76 A K S S+ 0 0 53 -2,-1.8 -23,-0.8 1,-0.4 2,-0.4 0.743 72.2 20.8-105.0 -42.7 -22.4 12.7 11.7 74 77 A A S S+ 0 0 6 -3,-0.4 13,-2.7 13,-0.2 -1,-0.4 -0.961 82.9 172.9-130.0 117.6 -21.6 9.4 13.4 75 78 A V E -DH 47 86B 16 -28,-2.0 -28,-2.9 -2,-0.4 2,-0.5 -0.946 28.3-149.8-134.1 150.5 -20.8 9.6 17.1 76 79 A L E +DH 46 85B 0 9,-3.0 9,-2.2 -2,-0.3 2,-0.3 -0.949 32.1 150.8-112.9 132.2 -20.0 7.6 20.1 77 80 A K E +D 45 0B 87 -32,-2.3 -32,-2.8 -2,-0.5 7,-0.1 -0.907 33.9 38.6-147.3 176.3 -21.0 8.9 23.6 78 81 A G E > S+D 44 0B 17 5,-0.5 3,-2.2 3,-0.3 -34,-0.3 -0.319 72.4 83.6 76.2-157.9 -22.0 7.6 27.0 79 82 A G T 3 S- 0 0 6 -36,-1.4 -37,-1.2 1,-0.3 -1,-0.1 -0.433 121.4 -22.7 57.7-131.9 -20.5 4.6 28.6 80 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.465 116.2 112.5 -81.1 -4.2 -17.2 5.6 30.3 81 84 A L < - 0 0 10 -3,-2.2 2,-0.5 -39,-0.1 -3,-0.3 -0.481 54.6-156.0 -87.8 141.3 -17.0 8.6 28.0 82 85 A D - 0 0 125 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.955 68.7 -8.8-104.8 123.4 -17.2 12.3 28.8 83 86 A G S S- 0 0 48 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.428 98.4 -42.4 90.6-160.7 -18.3 14.3 25.7 84 87 A T - 0 0 26 -2,-0.1 38,-2.4 -7,-0.1 2,-0.4 -0.898 41.5-163.9-120.4 131.6 -18.7 13.4 22.1 85 88 A Y E -HI 76 121B 4 -9,-2.2 -9,-3.0 -2,-0.4 2,-0.4 -0.980 14.0-142.3-121.3 127.8 -16.4 11.3 19.9 86 89 A R E -HI 75 120B 44 34,-2.6 34,-2.3 -2,-0.4 2,-0.3 -0.710 18.0-118.1 -95.4 134.7 -16.6 11.3 16.1 87 90 A L E + I 0 119B 3 -13,-2.7 32,-0.3 -2,-0.4 -13,-0.2 -0.500 37.3 165.9 -67.5 125.7 -16.1 8.2 14.0 88 91 A I E - 0 0 34 30,-2.8 -21,-2.5 1,-0.4 2,-0.3 0.728 59.3 -29.2-108.1 -37.9 -13.2 8.7 11.6 89 92 A Q E -GI 66 118B 31 29,-1.1 29,-2.9 -23,-0.2 -1,-0.4 -0.982 46.7-139.5-168.1 160.9 -12.5 5.2 10.3 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.9 -2,-0.3 2,-0.3 -0.971 23.4 162.4-129.0 155.9 -12.7 1.5 11.0 91 94 A H E - I 0 116B 24 25,-1.8 25,-3.0 -2,-0.3 2,-0.3 -0.923 23.6-126.5-151.7 177.3 -10.3 -1.3 10.3 92 95 A F E - I 0 115B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.885 0.6-147.9-128.0 162.9 -9.6 -4.9 11.4 93 96 A H E + I 0 114B 1 21,-2.1 21,-2.2 -2,-0.3 2,-0.3 -0.987 33.1 167.7-124.2 135.2 -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 -0.925 23.6-120.9-148.5 170.4 -6.9 -10.7 11.6 95 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.6 3,-0.1 -0.451 23.7-119.6-108.3 178.4 -5.0 -13.9 11.5 96 99 A S S S+ 0 0 42 142,-0.1 2,-0.3 -2,-0.1 5,-0.1 0.571 104.8 34.0 -87.1 -12.1 -3.7 -16.5 9.1 97 100 A L S > S- 0 0 103 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.949 89.8-112.4-142.0 153.4 -5.8 -19.2 10.8 98 101 A D T 3 S+ 0 0 78 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.729 110.1 67.3 -66.8 -19.2 -9.2 -18.9 12.5 99 102 A G T 3 S+ 0 0 55 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.387 106.6 33.1 -82.8 6.2 -7.6 -19.6 16.0 100 103 A Q < + 0 0 51 -3,-1.6 -5,-0.6 12,-0.1 -3,-0.3 -0.978 66.0 93.3-153.5 163.5 -5.8 -16.3 16.0 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.021 56.2 106.1 141.1 -31.8 -6.1 -12.7 14.9 102 105 A S - 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