==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-APR-10 3MHC . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.S.AVVARU . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.0 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 . 23 8.9 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 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.7 10.3 0.2 9.0 2 5 A W + 0 0 34 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.069 360.0 125.1 -63.2 150.4 7.8 -1.4 11.4 3 6 A G - 0 0 10 5,-2.6 10,-0.1 2,-0.1 -1,-0.1 -0.767 67.0 -78.7-165.3-146.6 5.5 -4.3 10.4 4 7 A Y S S+ 0 0 37 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.142 82.9 109.6-124.8 18.9 4.5 -7.8 11.5 5 8 A G S > S- 0 0 38 1,-0.1 4,-1.3 4,-0.1 3,-0.2 -0.198 85.2 -92.2 -86.5-177.6 7.3 -9.8 10.1 6 9 A K T 4 S+ 0 0 159 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.825 124.3 36.1 -62.3 -32.3 10.2 -11.7 11.9 7 10 A H T 4 S+ 0 0 163 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.550 129.9 26.6-105.2 -7.9 12.5 -8.7 11.7 8 11 A N T 4 S+ 0 0 57 -3,-0.2 -5,-2.6 -6,-0.1 -2,-0.2 0.246 91.5 122.4-137.3 13.4 10.2 -5.7 12.1 9 12 A G S >X S- 0 0 0 -4,-1.3 3,-3.1 -7,-0.2 4,-0.7 0.088 82.3 -69.8 -75.6-175.8 7.3 -7.2 14.2 10 13 A P G >4 S+ 0 0 29 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.755 128.0 62.4 -49.8 -31.0 5.9 -6.1 17.6 11 14 A E G 34 S+ 0 0 101 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.695 108.4 44.1 -71.1 -15.0 8.9 -7.4 19.5 12 15 A H G X> S+ 0 0 47 -3,-3.1 3,-1.8 1,-0.1 4,-0.5 0.598 87.1 89.7 -98.9 -15.2 11.0 -4.8 17.6 13 16 A W H XX S+ 0 0 5 -4,-0.7 4,-2.8 -3,-0.6 3,-0.7 0.782 73.0 70.2 -61.1 -29.4 8.7 -1.7 17.8 14 17 A H H 34 S+ 0 0 68 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.736 88.1 66.1 -63.4 -22.6 10.2 -0.5 21.1 15 18 A K H <4 S+ 0 0 133 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.917 117.1 24.0 -67.8 -43.5 13.4 0.5 19.3 16 19 A D H << S+ 0 0 119 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.758 135.8 37.6 -85.3 -28.0 11.7 3.2 17.2 17 20 A F >< - 0 0 55 -4,-2.8 3,-2.5 1,-0.1 -1,-0.2 -0.758 63.9-177.5-129.6 84.4 8.8 3.7 19.7 18 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.734 77.7 74.4 -56.8 -24.9 10.0 3.5 23.3 19 22 A I G > S+ 0 0 55 1,-0.3 3,-2.5 179,-0.2 -5,-0.1 0.616 71.3 88.6 -66.0 -9.3 6.4 3.9 24.6 20 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.770 91.8 44.7 -57.2 -25.8 5.8 0.3 23.4 21 24 A K G < S+ 0 0 140 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.054 97.3 129.6-104.6 24.6 7.0 -0.6 26.9 22 25 A G S < S- 0 0 14 -3,-2.5 3,-0.5 1,-0.1 -3,-0.0 0.163 72.0 -97.2 -75.3-169.5 4.9 2.1 28.5 23 26 A E S S+ 0 0 128 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.620 113.3 32.2 -89.2 -17.3 2.4 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 -0.356 79.7 159.1-139.1 58.3 -0.9 1.8 29.5 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.513 30.5-102.0 -87.3 151.3 -0.2 -0.3 26.4 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.882 77.7 39.2-126.6 157.3 -2.8 -2.1 24.3 27 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.617 66.5 176.6 -77.7-179.0 -4.1 -4.7 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.914 36.5 -97.9-138.3 163.5 -4.4 -6.7 26.8 29 32 A D E -a 105 0A 26 216,-0.5 2,-0.9 -2,-0.3 77,-0.2 -0.740 34.4-139.3 -78.8 133.3 -5.9 -10.0 27.9 30 33 A I E -a 106 0A 0 75,-3.0 77,-2.8 -2,-0.4 2,-1.0 -0.857 11.3-159.6 -96.0 104.0 -9.3 -9.4 29.4 31 34 A D >> - 0 0 70 -2,-0.9 4,-1.6 75,-0.2 3,-1.0 -0.783 4.1-161.8 -84.6 105.6 -9.6 -11.7 32.5 32 35 A T T 34 S+ 0 0 45 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.750 85.4 54.0 -67.5 -24.5 -13.3 -11.9 32.8 33 36 A H T 34 S+ 0 0 170 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.756 113.2 42.4 -82.5 -20.4 -13.2 -13.1 36.4 34 37 A T T <4 S+ 0 0 112 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.633 87.5 106.2 -98.8 -19.1 -11.0 -10.2 37.5 35 38 A A S < S- 0 0 19 -4,-1.6 2,-0.6 218,-0.1 218,-0.2 -0.413 70.9-129.3 -61.4 136.7 -12.9 -7.4 35.6 36 39 A K E -c 253 0B 133 216,-2.3 218,-2.7 -2,-0.1 2,-0.2 -0.799 9.1-129.2 -96.2 121.1 -15.0 -5.3 37.9 37 40 A Y E -c 254 0B 78 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.481 22.8-159.8 -59.0 131.3 -18.6 -4.7 37.2 38 41 A D > - 0 0 31 216,-2.6 3,-2.1 -2,-0.2 -1,-0.1 -0.887 10.0-168.7-122.5 100.3 -19.1 -0.9 37.5 39 42 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.616 84.7 62.6 -67.5 -13.5 -22.8 -0.1 38.1 40 43 A S T 3 S+ 0 0 89 2,-0.1 2,-0.3 40,-0.0 215,-0.1 0.537 75.0 110.6 -88.9 -9.8 -22.2 3.6 37.4 41 44 A L < - 0 0 29 -3,-2.1 3,-0.1 213,-0.2 -3,-0.0 -0.526 67.2-134.2 -64.4 129.6 -21.0 3.0 33.8 42 45 A K - 0 0 112 37,-1.0 39,-0.1 -2,-0.3 3,-0.1 -0.379 27.7 -89.6 -80.0 159.8 -23.7 4.4 31.5 43 46 A P - 0 0 112 0, 0.0 36,-1.5 0, 0.0 -1,-0.1 -0.442 50.5-104.0 -65.1 147.4 -25.0 2.6 28.5 44 47 A L E -D 78 0B 15 34,-0.3 2,-0.5 141,-0.3 34,-0.2 -0.434 27.2-146.3 -64.6 147.7 -23.0 3.2 25.3 45 48 A S E -D 77 0B 43 32,-3.0 32,-2.2 -2,-0.1 2,-0.6 -0.968 16.4-177.2-117.3 110.2 -24.6 5.5 22.8 46 49 A V E +D 76 0B 34 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.938 2.0 179.3-106.4 111.1 -23.7 4.6 19.2 47 50 A S E +D 75 0B 41 28,-2.8 28,-2.0 -2,-0.6 3,-0.2 -0.785 23.3 141.9-116.0 88.3 -25.2 7.1 16.8 48 51 A Y > + 0 0 3 -2,-0.7 3,-1.7 26,-0.2 130,-0.2 0.254 34.0 107.8-109.6 9.2 -24.2 6.0 13.3 49 52 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.1 -3,-0.1 25,-0.1 0.802 86.8 40.2 -63.7 -29.3 -27.4 6.8 11.4 50 53 A Q T 3 S+ 0 0 131 23,-1.0 -1,-0.3 -3,-0.2 24,-0.2 0.180 84.1 147.0-102.6 15.9 -25.9 9.8 9.6 51 54 A A < - 0 0 20 -3,-1.7 2,-0.5 22,-0.1 18,-0.1 -0.232 32.8-159.4 -55.8 136.9 -22.5 8.2 9.0 52 55 A T - 0 0 46 16,-0.3 16,-2.7 122,-0.1 2,-0.1 -0.852 5.5-166.3-121.1 94.7 -20.8 9.2 5.7 53 56 A S E +E 67 0B 1 -2,-0.5 121,-0.6 122,-0.4 14,-0.3 -0.476 10.4 174.8 -74.2 152.5 -18.2 6.8 4.5 54 57 A L E - 0 0 77 12,-3.0 118,-2.3 1,-0.4 2,-0.3 0.695 50.1 -4.5-123.5 -43.7 -15.8 8.1 1.8 55 58 A R E -EF 66 171B 82 11,-1.0 11,-2.6 116,-0.3 -1,-0.4 -0.967 45.9-135.4-156.8 157.0 -13.1 5.7 0.9 56 59 A I E -EF 65 170B 0 114,-2.5 114,-2.3 -2,-0.3 2,-0.4 -0.993 28.3-171.7-125.0 137.6 -11.3 2.4 1.6 57 60 A L E -EF 64 169B 31 7,-2.5 7,-2.5 -2,-0.4 2,-0.7 -0.989 26.1-144.6-137.0 130.8 -7.5 2.3 1.7 58 61 A N E -E 63 0B 0 110,-2.7 109,-2.8 -2,-0.4 5,-0.2 -0.870 21.8-179.8 -87.0 113.4 -4.9 -0.4 1.9 59 62 A N - 0 0 30 3,-2.1 4,-0.1 -2,-0.7 -1,-0.1 0.311 52.4-101.2-102.4 9.4 -2.2 1.3 4.1 60 63 A G S S+ 0 0 10 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.322 117.5 53.2 90.4 -8.9 0.2 -1.6 4.1 61 64 A H S S- 0 0 48 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.531 124.6 -28.5-126.2 -24.6 -0.7 -2.8 7.6 62 65 A A S S- 0 0 3 -5,-0.1 -3,-2.1 165,-0.1 -1,-0.5 -0.903 70.6 -88.8-162.0-169.7 -4.5 -3.1 7.3 63 66 A F E -E 58 0B 0 29,-0.3 29,-0.5 -2,-0.3 2,-0.5 -0.985 35.2-156.6-115.3 136.2 -7.4 -1.6 5.3 64 67 A N E -E 57 0B 21 -7,-2.5 -7,-2.5 -2,-0.4 2,-0.7 -0.928 9.9-153.3-110.3 130.3 -9.2 1.5 6.6 65 68 A V E -EG 56 90B 0 25,-2.6 25,-1.8 -2,-0.5 2,-0.2 -0.935 28.3-151.1 -96.4 116.4 -12.7 2.5 5.7 66 69 A E E -EG 55 89B 50 -11,-2.6 -12,-3.0 -2,-0.7 -11,-1.0 -0.637 10.5-160.0 -96.8 149.2 -12.6 6.3 6.2 67 70 A F E -E 53 0B 9 21,-2.7 2,-0.7 -14,-0.3 -14,-0.2 -0.825 31.1 -99.7-124.2 158.0 -15.5 8.6 7.2 68 71 A D + 0 0 35 -16,-2.7 -16,-0.3 -2,-0.3 5,-0.3 -0.722 41.3 173.2 -75.1 116.2 -16.3 12.3 6.9 69 72 A D + 0 0 42 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.042 47.4 103.1-118.5 28.9 -15.5 13.6 10.4 70 73 A S S S+ 0 0 80 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.409 90.2 25.7 -91.3 -0.9 -15.9 17.3 9.8 71 74 A Q S S- 0 0 115 -3,-0.2 2,-1.9 3,-0.1 3,-0.4 -0.942 99.5 -88.2-146.2 168.8 -19.3 17.3 11.5 72 75 A D S S+ 0 0 90 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.552 74.4 131.3 -77.7 77.9 -21.0 15.2 14.2 73 76 A K S S+ 0 0 53 -2,-1.9 -23,-1.0 1,-0.3 2,-0.4 0.802 74.6 19.6 -99.7 -39.4 -22.4 12.6 11.7 74 77 A A S S+ 0 0 7 -3,-0.4 13,-2.7 -6,-0.2 2,-0.3 -0.954 83.7 168.8-133.9 111.8 -21.4 9.3 13.4 75 78 A V E -DH 47 86B 11 -28,-2.0 -28,-2.8 -2,-0.4 2,-0.4 -0.931 28.7-149.4-131.5 153.6 -20.6 9.6 17.1 76 79 A L E +DH 46 85B 0 9,-2.8 9,-2.3 -2,-0.3 2,-0.3 -0.949 32.2 147.2-114.2 136.0 -19.9 7.5 20.1 77 80 A K E +D 45 0B 66 -32,-2.2 -32,-3.0 -2,-0.4 7,-0.1 -0.929 34.4 43.5-153.5-178.6 -20.8 8.8 23.6 78 81 A G E > S+D 44 0B 16 5,-0.4 3,-2.3 3,-0.4 -34,-0.3 -0.387 73.1 84.5 72.2-155.8 -21.9 7.6 27.0 79 82 A G T 3 S- 0 0 1 -36,-1.5 -37,-1.0 1,-0.3 -1,-0.1 -0.397 122.1 -25.2 55.0-133.8 -20.4 4.5 28.5 80 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.480 116.8 109.2 -82.3 -0.7 -17.2 5.6 30.2 81 84 A L < - 0 0 8 -3,-2.3 2,-0.5 -39,-0.1 -3,-0.4 -0.518 54.5-155.1 -89.7 142.8 -16.8 8.6 28.0 82 85 A D - 0 0 123 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.951 68.3 -2.9-105.8 129.7 -17.3 12.3 28.7 83 86 A G S S- 0 0 49 -2,-0.5 2,-0.4 38,-0.1 -5,-0.4 -0.398 99.6 -46.4 88.9-166.4 -18.2 14.3 25.7 84 87 A T - 0 0 32 -7,-0.1 38,-2.7 -2,-0.1 2,-0.5 -0.901 41.2-162.7-116.3 131.8 -18.6 13.3 22.0 85 88 A Y E -HI 76 121B 4 -9,-2.3 -9,-2.8 -2,-0.4 2,-0.4 -0.958 14.1-142.1-116.2 128.3 -16.3 11.2 19.9 86 89 A R E -HI 75 120B 45 34,-2.7 34,-2.1 -2,-0.5 2,-0.3 -0.735 17.7-118.9 -92.6 134.0 -16.5 11.2 16.1 87 90 A L E + I 0 119B 3 -13,-2.7 32,-0.3 -2,-0.4 -13,-0.2 -0.492 38.1 165.3 -64.9 124.5 -16.0 8.2 14.0 88 91 A I E - 0 0 38 30,-2.8 -21,-2.7 1,-0.4 2,-0.3 0.721 59.9 -22.4-109.9 -40.2 -13.0 8.7 11.7 89 92 A Q E -GI 66 118B 32 29,-1.2 29,-2.8 -23,-0.2 -1,-0.4 -0.987 47.9-145.5-161.1 159.9 -12.2 5.2 10.4 90 93 A F E +GI 65 117B 0 -25,-1.8 -25,-2.6 -2,-0.3 2,-0.3 -0.972 23.0 160.5-127.2 156.8 -12.6 1.5 11.0 91 94 A H E - I 0 116B 21 25,-1.9 25,-3.1 -2,-0.3 2,-0.3 -0.923 24.4-126.1-155.3 177.2 -10.3 -1.4 10.2 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.857 0.4-149.6-127.7 162.2 -9.6 -5.0 11.2 93 96 A H E + I 0 114B 4 21,-1.7 21,-2.1 -2,-0.3 2,-0.3 -0.987 31.4 168.0-124.9 138.5 -6.8 -7.2 12.5 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.8 -0.928 24.0-118.5-148.8 169.8 -6.9 -10.9 11.5 95 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.6 3,-0.1 -0.394 24.1-118.9-105.6-179.4 -4.9 -14.1 11.4 96 99 A S S S+ 0 0 45 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.542 106.0 33.7 -87.2 -11.0 -3.6 -16.6 9.0 97 100 A L S > S- 0 0 104 3,-0.3 3,-1.7 15,-0.1 -2,-0.2 -0.968 88.3-113.7-142.8 152.8 -5.7 -19.2 10.8 98 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.781 109.9 68.2 -62.6 -25.2 -9.2 -19.0 12.5 99 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.442 108.1 28.1 -76.1 0.2 -7.5 -19.7 15.8 100 103 A Q < + 0 0 52 -3,-1.7 -5,-0.6 12,-0.1 -3,-0.3 -0.970 65.8 96.8-152.1 165.6 -5.7 -16.4 16.0 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.048 54.9 107.4 142.2 -30.5 -6.0 -12.8 14.7 102 105 A S - 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