==== 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 3P58 . 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) . 11773.0 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 . 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 . 22 8.6 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 . 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 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 153.5 10.1 0.3 8.8 2 5 A W + 0 0 32 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.250 360.0 133.3 -61.4 154.4 7.9 -1.4 11.4 3 6 A G - 0 0 11 5,-2.4 10,-0.1 2,-0.1 -1,-0.1 -0.787 64.2 -80.6-168.9-148.9 5.7 -4.3 10.4 4 7 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.127 83.7 108.4-128.0 17.0 4.6 -7.8 11.5 5 8 A G S > S- 0 0 41 1,-0.1 4,-1.4 4,-0.1 3,-0.4 -0.261 85.0 -91.5 -87.4-178.4 7.5 -9.8 10.2 6 9 A K T 4 S+ 0 0 180 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.849 123.3 35.7 -60.2 -34.5 10.3 -11.6 11.9 7 10 A H T 4 S+ 0 0 154 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.544 130.5 27.2-105.5 -2.8 12.7 -8.7 11.8 8 11 A N T 4 S+ 0 0 56 -3,-0.4 -5,-2.4 -6,-0.1 -2,-0.2 0.240 92.2 119.4-140.2 16.1 10.3 -5.7 12.2 9 12 A G S >X S- 0 0 4 -4,-1.4 3,-2.9 -5,-0.2 4,-0.8 0.112 83.1 -65.2 -81.1-173.0 7.4 -7.2 14.2 10 13 A P G >4 S+ 0 0 29 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.733 128.4 60.0 -50.1 -30.3 6.0 -6.3 17.7 11 14 A E G 34 S+ 0 0 142 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.637 109.8 44.5 -73.8 -11.9 9.1 -7.4 19.6 12 15 A H G X> S+ 0 0 59 -3,-2.9 3,-1.8 1,-0.1 4,-0.5 0.562 87.2 89.6 -99.0 -20.0 11.1 -4.8 17.6 13 16 A W H XX S+ 0 0 5 -4,-0.8 4,-2.6 -3,-0.5 3,-0.8 0.804 73.4 69.3 -56.8 -32.4 8.8 -1.8 17.8 14 17 A H H 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.709 87.8 66.9 -61.0 -21.4 10.2 -0.4 21.1 15 18 A K H <4 S+ 0 0 133 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.911 116.9 23.9 -69.8 -41.9 13.4 0.6 19.4 16 19 A D H << S+ 0 0 119 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.747 135.9 36.9 -89.8 -23.8 11.7 3.2 17.3 17 20 A F >< - 0 0 55 -4,-2.6 3,-2.5 1,-0.1 -1,-0.2 -0.773 64.8-178.2-130.7 81.8 8.7 3.7 19.6 18 21 A P G > S+ 0 0 102 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.725 75.9 75.9 -60.7 -20.1 9.9 3.5 23.3 19 22 A I G > S+ 0 0 55 1,-0.3 3,-2.5 179,-0.2 5,-0.2 0.639 70.3 90.2 -65.3 -10.7 6.3 3.9 24.5 20 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.743 90.8 44.2 -53.3 -26.6 5.9 0.3 23.5 21 24 A K G < S+ 0 0 138 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 0.014 96.7 130.0-106.8 25.8 7.0 -0.6 27.0 22 25 A G S < S- 0 0 14 -3,-2.5 3,-0.5 1,-0.1 -3,-0.1 0.108 72.2 -99.2 -73.5-174.1 4.8 2.1 28.6 23 26 A E S S+ 0 0 126 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.587 112.8 34.0 -88.6 -10.6 2.3 2.1 31.4 24 27 A R S S+ 0 0 46 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.283 79.1 155.6-144.6 57.5 -0.9 1.8 29.4 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.474 31.8-100.0 -87.7 153.5 -0.3 -0.2 26.3 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.880 77.3 38.9-129.1 158.6 -2.8 -2.2 24.3 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.620 65.8 175.8 -76.1 179.2 -4.1 -4.8 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.925 36.5 -98.3-135.7 163.0 -4.4 -6.7 26.8 29 32 A D E -a 105 0A 29 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.726 33.2-138.9 -76.8 135.6 -6.0 -10.0 28.0 30 33 A I E -a 106 0A 0 75,-2.9 77,-2.7 -2,-0.4 2,-0.9 -0.864 10.5-158.7 -98.7 104.4 -9.4 -9.4 29.5 31 34 A D >> - 0 0 64 -2,-0.9 4,-1.2 75,-0.2 3,-0.7 -0.794 5.9-161.1 -84.1 105.1 -9.6 -11.7 32.5 32 35 A T T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.776 84.4 53.6 -66.5 -25.1 -13.4 -11.9 32.8 33 36 A H T 34 S+ 0 0 169 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.794 113.1 41.9 -84.5 -22.1 -13.4 -13.0 36.3 34 37 A T T <4 S+ 0 0 94 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.543 87.1 104.6-100.4 -10.3 -11.3 -10.2 37.6 35 38 A A S < S- 0 0 18 -4,-1.2 2,-0.5 216,-0.1 218,-0.2 -0.471 71.8-129.4 -64.6 142.7 -12.9 -7.4 35.6 36 39 A K E -c 253 0B 124 216,-2.4 218,-2.5 -2,-0.1 2,-0.2 -0.859 7.5-125.5-104.7 129.9 -15.1 -5.4 37.9 37 40 A Y E -c 254 0B 80 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.471 21.1-160.8 -65.9 131.4 -18.7 -4.5 37.3 38 41 A D > - 0 0 37 216,-2.6 3,-2.1 -2,-0.2 -1,-0.1 -0.896 7.1-169.7-118.9 97.5 -19.2 -0.8 37.5 39 42 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.671 85.0 62.9 -65.5 -16.9 -22.9 -0.1 38.0 40 43 A S T 3 S+ 0 0 92 -3,-0.1 2,-0.3 2,-0.1 215,-0.1 0.522 75.2 110.9 -82.8 -10.4 -22.3 3.6 37.4 41 44 A L < - 0 0 29 -3,-2.1 3,-0.1 213,-0.2 38,-0.0 -0.523 67.6-132.7 -64.6 130.0 -21.1 3.0 33.8 42 45 A K - 0 0 133 37,-1.1 39,-0.1 -2,-0.3 -1,-0.1 -0.359 27.2 -88.8 -78.8 158.9 -23.7 4.5 31.5 43 46 A P - 0 0 103 0, 0.0 36,-1.6 0, 0.0 2,-0.2 -0.428 49.6-106.3 -62.8 146.0 -25.1 2.6 28.4 44 47 A L E -D 78 0B 17 34,-0.3 2,-0.5 141,-0.2 34,-0.2 -0.497 26.9-148.5 -69.6 142.6 -23.1 3.2 25.3 45 48 A S E -D 77 0B 37 32,-2.7 32,-2.2 -2,-0.2 2,-0.6 -0.966 15.5-178.6-117.7 112.1 -24.6 5.5 22.7 46 49 A V E -D 76 0B 33 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.949 0.4-178.1-111.6 108.1 -23.7 4.6 19.2 47 50 A S E +D 75 0B 41 28,-3.0 28,-2.0 -2,-0.6 3,-0.2 -0.827 24.2 142.6-113.6 87.7 -25.3 7.1 16.7 48 51 A Y > + 0 0 2 -2,-0.7 3,-1.9 26,-0.2 130,-0.2 0.296 33.5 107.7-109.1 6.9 -24.3 6.0 13.2 49 52 A D T 3 S+ 0 0 93 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.821 88.0 39.7 -61.2 -29.7 -27.5 6.7 11.3 50 53 A Q T 3 S+ 0 0 130 23,-0.8 -1,-0.3 -3,-0.2 24,-0.1 0.157 83.7 142.6-103.8 17.8 -25.9 9.7 9.5 51 54 A A < - 0 0 23 -3,-1.9 2,-0.5 1,-0.1 23,-0.1 -0.288 34.1-160.4 -59.0 139.2 -22.5 8.1 8.9 52 55 A T - 0 0 37 16,-0.3 16,-2.7 122,-0.1 2,-0.2 -0.890 2.6-161.0-127.9 103.2 -20.9 9.0 5.6 53 56 A S E -E 67 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.487 9.9-179.5 -73.6 148.6 -18.2 6.7 4.4 54 57 A L E - 0 0 77 12,-3.2 118,-2.2 1,-0.4 2,-0.3 0.717 50.8 -22.5-117.7 -45.7 -15.9 8.1 1.8 55 58 A R E -EF 66 171B 81 11,-1.1 11,-2.9 116,-0.3 -1,-0.4 -0.976 46.4-121.0-164.3 169.2 -13.3 5.5 0.7 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.3 -2,-0.3 2,-0.4 -0.987 27.6-169.6-126.6 137.6 -11.3 2.5 1.6 57 60 A L E -EF 64 169B 32 7,-2.2 7,-2.7 -2,-0.4 2,-0.7 -0.987 23.3-145.5-134.4 131.1 -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 -0.889 22.6-179.2 -87.9 112.3 -4.9 -0.3 2.0 59 62 A N - 0 0 44 3,-2.0 4,-0.1 -2,-0.7 -1,-0.1 0.303 53.3 -96.7 -99.9 8.0 -2.2 1.4 4.1 60 63 A G S S+ 0 0 14 2,-0.6 106,-0.1 166,-0.2 3,-0.1 0.255 118.3 46.7 97.4 -13.7 0.2 -1.4 4.1 61 64 A H S S- 0 0 44 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.481 124.3 -14.9-131.9 -10.5 -0.8 -2.8 7.5 62 65 A A S S- 0 0 1 165,-0.1 -3,-2.0 -5,-0.1 -2,-0.6 -0.916 70.6 -97.6-163.2-177.8 -4.6 -3.0 7.3 63 66 A F E -E 58 0B 0 -2,-0.3 2,-0.5 29,-0.3 29,-0.5 -0.983 34.2-154.2-113.0 137.6 -7.4 -1.6 5.2 64 67 A N E -E 57 0B 18 -7,-2.7 -7,-2.2 -2,-0.4 2,-0.7 -0.939 9.9-153.5-112.4 128.5 -9.2 1.5 6.5 65 68 A V E -EG 56 90B 0 25,-2.7 25,-1.9 -2,-0.5 2,-0.3 -0.910 29.5-152.0 -94.9 117.1 -12.8 2.5 5.7 66 69 A E E -EG 55 89B 44 -11,-2.9 -12,-3.2 -2,-0.7 -11,-1.1 -0.709 10.8-160.3-101.8 146.3 -12.7 6.2 6.1 67 70 A F E -E 53 0B 9 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.802 31.5-100.0-120.5 157.3 -15.6 8.6 7.1 68 71 A D + 0 0 33 -16,-2.7 -16,-0.3 -2,-0.3 3,-0.3 -0.705 42.0 171.8 -73.0 108.2 -16.4 12.3 6.8 69 72 A D + 0 0 39 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.034 47.9 102.3-110.0 27.8 -15.5 13.4 10.3 70 73 A S S S+ 0 0 82 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.393 88.9 29.9 -91.8 1.5 -15.9 17.2 9.6 71 74 A Q S S- 0 0 118 -3,-0.3 2,-1.9 3,-0.1 3,-0.4 -0.949 98.9 -91.5-148.3 163.0 -19.4 17.2 11.3 72 75 A D S S+ 0 0 94 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.571 75.8 128.9 -76.5 79.5 -21.0 15.3 14.1 73 76 A K S S+ 0 0 52 -2,-1.9 -23,-0.8 1,-0.3 2,-0.3 0.669 72.5 22.4-106.5 -30.2 -22.5 12.6 11.8 74 77 A A S S+ 0 0 6 -3,-0.4 13,-2.9 -24,-0.1 2,-0.3 -0.884 83.2 169.0-142.6 105.0 -21.5 9.3 13.4 75 78 A V E -DH 47 86B 16 -28,-2.0 -28,-3.0 -2,-0.3 2,-0.4 -0.916 30.4-148.9-131.6 153.5 -20.7 9.6 17.1 76 79 A L E +DH 46 85B 0 9,-2.8 9,-2.4 -2,-0.3 2,-0.3 -0.950 32.0 152.2-117.1 134.4 -20.0 7.6 20.1 77 80 A K E +D 45 0B 79 -32,-2.2 -32,-2.7 -2,-0.4 7,-0.1 -0.889 35.6 36.4-148.4 174.2 -21.0 8.9 23.5 78 81 A G E > S+D 44 0B 18 5,-0.5 3,-2.3 3,-0.3 -34,-0.3 -0.285 73.4 84.7 74.0-156.6 -22.0 7.6 27.0 79 82 A G T 3 S- 0 0 7 -36,-1.6 -37,-1.1 1,-0.3 -1,-0.1 -0.387 121.0 -23.7 56.7-132.1 -20.5 4.5 28.5 80 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.503 116.3 110.2 -84.5 -1.7 -17.2 5.6 30.2 81 84 A L < - 0 0 13 -3,-2.3 2,-0.5 -39,-0.1 -3,-0.3 -0.484 55.7-153.9 -87.5 142.9 -16.9 8.6 28.0 82 85 A D - 0 0 138 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.940 69.6 -8.3-104.6 129.8 -17.2 12.3 28.8 83 86 A G S S- 0 0 52 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.383 99.1 -43.3 82.1-159.0 -18.3 14.3 25.7 84 87 A T - 0 0 34 -7,-0.1 38,-2.5 -2,-0.1 2,-0.4 -0.909 40.7-163.3-124.8 131.4 -18.7 13.3 22.1 85 88 A Y E -HI 76 121B 5 -9,-2.4 -9,-2.8 -2,-0.4 2,-0.4 -0.973 14.2-142.0-120.9 130.8 -16.3 11.2 19.9 86 89 A R E -HI 75 120B 45 34,-2.7 34,-2.2 -2,-0.4 2,-0.3 -0.749 18.2-117.4 -98.5 134.8 -16.6 11.3 16.1 87 90 A L E + I 0 119B 2 -13,-2.9 32,-0.3 -2,-0.4 -14,-0.1 -0.468 37.8 165.0 -66.8 124.4 -16.1 8.2 13.9 88 91 A I E - 0 0 33 30,-2.8 -21,-2.6 1,-0.4 2,-0.3 0.737 60.0 -28.0-108.9 -36.7 -13.0 8.7 11.6 89 92 A Q E -GI 66 118B 31 29,-1.2 29,-2.8 -23,-0.2 -1,-0.4 -0.985 47.0-140.2-166.1 162.4 -12.4 5.2 10.3 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.7 -2,-0.3 2,-0.3 -0.964 23.2 163.8-128.5 157.5 -12.6 1.5 11.0 91 94 A H E - I 0 116B 24 25,-1.8 25,-3.1 -2,-0.3 2,-0.3 -0.923 22.9-128.2-153.4 174.5 -10.2 -1.3 10.3 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.873 0.4-148.4-127.7 161.2 -9.6 -4.9 11.3 93 96 A H E + I 0 114B 2 21,-2.1 21,-2.3 -2,-0.3 2,-0.3 -0.981 32.5 169.1-123.5 138.3 -6.8 -7.1 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-1.0 -0.947 23.8-117.3-151.2 169.5 -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 -0.438 23.4-121.7-104.8 174.4 -4.9 -14.0 11.4 96 99 A S S S+ 0 0 44 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.566 105.2 31.7 -84.1 -10.6 -3.5 -16.5 9.0 97 100 A L S > S- 0 0 105 3,-0.3 3,-1.7 15,-0.1 -2,-0.2 -0.958 89.2-112.1-145.1 153.4 -5.7 -19.1 10.6 98 101 A D T 3 S+ 0 0 75 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.770 110.3 70.1 -65.7 -20.7 -9.1 -18.9 12.3 99 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.447 107.2 25.8 -77.5 0.8 -7.4 -19.7 15.7 100 103 A Q < + 0 0 52 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.3 -0.963 66.3 99.5-154.5 163.4 -5.7 -16.3 15.9 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.024 54.9 105.6 146.5 -31.9 -6.1 -12.7 14.7 102 105 A S - 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