==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-NOV-05 2EZ7 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.TEMPERINI,A.SCOZZAFAVA,D.VULLO,C.T.SUPURAN . 259 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11801.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 22.4 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 . 29 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.1 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 . 1 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 3 A H 0 0 226 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-144.1 13.4 -0.7 8.6 2 4 A H - 0 0 99 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.245 360.0 -97.4 -58.5 145.4 9.7 0.3 8.7 3 5 A W + 0 0 20 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.288 59.9 142.1 -65.5 150.3 7.6 -1.4 11.3 4 6 A G - 0 0 9 5,-2.8 10,-0.1 2,-0.1 -1,-0.1 -0.647 58.2 -79.9-156.3-145.8 5.6 -4.5 10.2 5 7 A Y S S+ 0 0 40 5,-0.2 2,-0.2 -2,-0.2 5,-0.1 -0.406 81.1 101.1-136.8 59.6 4.5 -7.9 11.4 6 8 A G S > S- 0 0 30 1,-0.0 4,-1.7 0, 0.0 -2,-0.1 -0.702 85.9 -89.4-132.4-175.7 7.4 -10.2 10.9 7 9 A K T 4 S+ 0 0 180 -2,-0.2 -1,-0.0 1,-0.2 0, 0.0 0.736 127.5 33.4 -68.7 -20.6 10.3 -11.9 12.5 8 10 A H T 4 S+ 0 0 155 1,-0.0 -1,-0.2 5,-0.0 -5,-0.0 0.678 133.7 21.6-109.5 -21.2 12.4 -8.9 11.8 9 11 A N T 4 S+ 0 0 53 -6,-0.1 -5,-2.8 4,-0.0 -2,-0.2 0.247 94.1 118.0-130.7 12.9 10.1 -5.9 12.0 10 12 A G S >X S- 0 0 0 -4,-1.7 3,-3.2 -7,-0.2 4,-0.7 -0.041 84.5 -68.5 -76.6-179.2 7.2 -7.2 14.2 11 13 A P G >4 S+ 0 0 21 0, 0.0 3,-0.6 0, 0.0 4,-0.5 0.732 127.8 62.7 -35.6 -41.1 5.8 -6.1 17.6 12 14 A E G 34 S+ 0 0 113 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.469 108.0 43.2 -71.8 -0.9 8.9 -7.3 19.4 13 15 A H G X> S+ 0 0 55 -3,-3.2 3,-1.1 2,-0.1 4,-0.6 0.525 88.1 90.8-115.9 -14.7 11.0 -4.7 17.5 14 16 A W H < - 0 0 49 -4,-3.1 3,-1.8 -5,-0.2 -1,-0.2 -0.809 64.9-179.8-121.0 87.4 8.7 3.6 19.5 19 21 A P G > S+ 0 0 100 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.799 75.7 74.2 -53.5 -36.6 9.9 3.6 23.2 20 22 A I G > S+ 0 0 66 1,-0.3 3,-2.4 2,-0.2 5,-0.2 0.570 70.4 91.6 -57.9 -8.1 6.3 4.0 24.4 21 23 A A G < S+ 0 0 5 -3,-1.8 -1,-0.3 1,-0.3 -6,-0.1 0.728 92.0 41.6 -60.5 -21.4 5.9 0.3 23.4 22 24 A K G < S+ 0 0 133 -3,-2.1 -1,-0.3 -7,-0.1 -2,-0.2 0.022 96.2 128.6-112.5 22.5 6.9 -0.5 27.0 23 25 A G S < S- 0 0 15 -3,-2.4 3,-0.4 1,-0.1 -3,-0.0 0.173 72.6 -97.7 -67.4-169.5 4.8 2.3 28.5 24 26 A E S S+ 0 0 122 1,-0.2 226,-0.2 225,-0.1 -1,-0.1 0.631 113.0 34.4 -89.6 -19.2 2.3 2.2 31.3 25 27 A R S S+ 0 0 43 -5,-0.2 -1,-0.2 168,-0.1 179,-0.2 -0.435 80.0 151.2-136.7 63.5 -1.0 2.0 29.3 26 28 A Q - 0 0 5 221,-0.4 220,-0.2 -3,-0.4 170,-0.1 -0.573 34.6 -91.0 -93.7 158.1 -0.3 -0.0 26.2 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.929 77.2 30.8-133.2 158.1 -2.7 -2.2 24.3 28 30 A P + 0 0 0 0, 0.0 218,-3.0 0, 0.0 2,-0.3 0.510 62.9 173.8 -82.8-168.0 -4.0 -4.7 23.7 29 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.941 37.8 -96.4-149.0 164.9 -4.3 -6.7 26.9 30 32 A D E -a 106 0A 27 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.740 35.8-134.2 -86.9 136.9 -5.9 -9.9 28.1 31 33 A I E -a 107 0A 0 75,-4.1 77,-2.8 -2,-0.4 2,-1.1 -0.833 13.5-158.8 -95.1 104.6 -9.3 -9.3 29.6 32 34 A D >> - 0 0 58 -2,-0.8 3,-1.7 75,-0.2 4,-1.6 -0.753 3.2-166.0 -85.4 101.6 -9.5 -11.3 32.9 33 35 A T T 34 S+ 0 0 42 -2,-1.1 -1,-0.2 1,-0.3 222,-0.1 0.779 84.4 57.2 -58.3 -31.7 -13.3 -11.6 33.3 34 36 A H T 34 S+ 0 0 168 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.163 113.2 39.8 -88.0 16.9 -12.9 -12.8 36.9 35 37 A T T <4 S+ 0 0 81 -3,-1.7 -2,-0.2 218,-0.0 2,-0.2 0.483 90.6 94.8-133.5 -24.4 -10.9 -9.7 37.9 36 38 A A < - 0 0 17 -4,-1.6 2,-0.4 216,-0.1 218,-0.2 -0.517 69.1-141.3 -71.7 139.4 -12.8 -7.0 36.0 37 39 A K E -c 254 0B 148 216,-1.3 218,-1.2 -2,-0.2 221,-0.1 -0.904 13.1-112.7-113.3 135.1 -15.3 -5.3 38.3 38 40 A Y E -c 255 0B 99 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.300 26.5-147.7 -57.8 138.1 -18.8 -4.1 37.3 39 41 A D > - 0 0 28 216,-2.2 3,-1.3 1,-0.1 -1,-0.1 -0.923 11.3-169.1-115.5 106.5 -19.1 -0.4 37.5 40 42 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.648 84.0 62.8 -67.7 -13.5 -22.6 0.8 38.5 41 43 A S T 3 S+ 0 0 77 2,-0.1 2,-0.2 -3,-0.1 215,-0.1 0.526 72.0 110.2 -90.9 -7.9 -21.7 4.3 37.6 42 44 A L < - 0 0 34 -3,-1.3 3,-0.1 213,-0.2 213,-0.0 -0.500 66.1-133.9 -68.1 135.1 -21.1 3.8 33.8 43 45 A K E -D 80 0B 123 37,-1.4 37,-1.1 -2,-0.2 39,-0.1 -0.520 39.6 -73.3 -85.9 159.2 -23.9 5.5 31.8 44 46 A P E - 0 0 114 0, 0.0 36,-0.8 0, 0.0 2,-0.4 -0.186 53.6-111.8 -51.8 142.0 -25.5 3.6 28.9 45 47 A L E -D 79 0B 22 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.636 30.5-158.0 -79.2 132.1 -23.3 3.3 25.9 46 48 A S E +D 78 0B 46 32,-3.6 32,-2.2 -2,-0.4 2,-0.6 -0.950 14.4 177.8-118.1 117.2 -24.5 5.3 22.9 47 49 A V E -D 77 0B 28 -2,-0.5 2,-0.9 30,-0.2 30,-0.2 -0.894 5.1-177.4-118.9 98.3 -23.4 4.4 19.4 48 50 A S E +D 76 0B 40 28,-2.1 28,-1.7 -2,-0.6 3,-0.2 -0.803 20.3 150.4-102.1 97.3 -25.1 6.7 16.8 49 51 A Y > + 0 0 2 -2,-0.9 3,-1.4 26,-0.2 130,-0.2 0.206 34.7 112.6-109.7 14.9 -24.1 5.7 13.3 50 52 A D T 3 S+ 0 0 88 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.901 84.0 35.1 -53.6 -51.6 -27.3 6.8 11.4 51 53 A Q T 3 S+ 0 0 131 23,-0.8 -1,-0.3 -3,-0.2 24,-0.2 0.047 84.1 152.6 -96.2 27.1 -25.8 9.6 9.4 52 54 A A < - 0 0 23 -3,-1.4 2,-0.4 22,-0.2 18,-0.1 -0.228 29.9-158.1 -56.3 142.2 -22.4 7.9 8.8 53 55 A T - 0 0 50 16,-0.3 16,-2.5 122,-0.1 -1,-0.1 -0.758 5.5-166.6-130.3 89.3 -20.6 9.0 5.7 54 56 A S E +E 68 0B 2 -2,-0.4 121,-0.8 122,-0.3 14,-0.3 -0.390 11.4 172.8 -69.8 148.6 -18.0 6.6 4.4 55 57 A L E + 0 0 81 12,-2.8 118,-1.2 1,-0.3 2,-0.3 0.659 52.3 0.6-126.5 -39.9 -15.7 7.9 1.8 56 58 A R E -EF 67 172B 81 11,-1.5 11,-3.1 116,-0.2 2,-0.4 -0.994 44.4-139.0-160.7 150.3 -12.9 5.5 1.0 57 59 A I E -EF 66 171B 0 114,-2.3 114,-1.0 -2,-0.3 2,-0.4 -0.907 31.5-171.3-106.8 132.8 -11.3 2.1 1.6 58 60 A L E -EF 65 170B 31 7,-2.5 7,-3.3 -2,-0.4 2,-0.8 -0.986 25.1-146.9-136.7 131.7 -7.5 2.2 1.8 59 61 A N E +E 64 0B 0 110,-2.4 109,-2.7 -2,-0.4 5,-0.2 -0.826 19.5 179.9 -90.6 110.3 -4.8 -0.5 1.9 60 62 A N - 0 0 25 3,-1.9 4,-0.1 -2,-0.8 -1,-0.1 0.310 55.4 -94.5 -96.6 8.3 -2.0 1.1 4.0 61 63 A G S S+ 0 0 13 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.415 119.0 43.8 96.4 -1.4 0.4 -1.8 3.9 62 64 A H S S- 0 0 14 1,-0.7 2,-0.3 -58,-0.1 166,-0.1 0.383 125.7 -14.0-148.6 -9.5 -0.6 -3.4 7.2 63 65 A A S S- 0 0 2 164,-0.1 -3,-1.9 165,-0.1 -1,-0.7 -0.926 71.9 -97.8-174.6-177.1 -4.4 -3.3 7.1 64 66 A F E -E 59 0B 0 -2,-0.3 2,-0.5 -5,-0.2 29,-0.5 -0.985 29.5-151.9-124.5 138.1 -7.2 -1.6 5.2 65 67 A N E -E 58 0B 13 -7,-3.3 -7,-2.5 -2,-0.4 2,-1.0 -0.933 9.8-154.8-114.3 129.9 -9.0 1.5 6.4 66 68 A V E -EG 57 91B 0 25,-2.2 25,-1.1 -2,-0.5 -9,-0.3 -0.868 28.6-154.4 -99.0 98.8 -12.6 2.5 5.6 67 69 A E E -EG 56 90B 47 -11,-3.1 -12,-2.8 -2,-1.0 -11,-1.5 -0.564 7.4-157.8 -80.9 137.7 -12.3 6.2 6.1 68 70 A F E -E 54 0B 10 21,-2.9 2,-0.7 -2,-0.3 -14,-0.2 -0.699 26.3-104.5-110.6 163.9 -15.3 8.3 7.1 69 71 A D + 0 0 36 -16,-2.5 -16,-0.3 -2,-0.2 3,-0.2 -0.811 39.8 171.5 -88.3 113.7 -16.1 12.1 6.7 70 72 A D + 0 0 39 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 -0.132 41.6 111.7-118.2 36.7 -15.7 13.6 10.1 71 73 A S S S+ 0 0 77 1,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.283 87.4 26.0 -89.8 8.2 -15.9 17.3 9.3 72 74 A Q S S- 0 0 123 -3,-0.2 2,-1.5 3,-0.1 3,-0.4 -0.969 100.9 -82.4-163.6 156.5 -19.3 17.3 11.2 73 75 A D S S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.477 77.1 124.6 -67.0 91.5 -21.1 15.4 13.9 74 76 A K S S+ 0 0 51 -2,-1.5 -23,-0.8 1,-0.3 2,-0.6 0.735 72.1 25.2-116.0 -52.4 -22.4 12.5 11.8 75 77 A A S S+ 0 0 8 -3,-0.4 13,-2.4 -6,-0.2 2,-0.4 -0.957 80.4 175.1-119.5 109.9 -21.2 9.3 13.5 76 78 A V E -DH 48 87B 16 -28,-1.7 -28,-2.1 -2,-0.6 2,-0.4 -0.944 25.3-153.5-127.9 142.4 -20.6 9.7 17.2 77 79 A L E +DH 47 86B 0 9,-3.2 9,-1.8 -2,-0.4 2,-0.3 -0.879 34.5 141.3-105.8 137.1 -19.7 7.5 20.1 78 80 A K E +D 46 0B 59 -32,-2.2 -32,-3.6 -2,-0.4 2,-0.1 -0.973 28.6 52.1-163.9 170.5 -20.7 8.6 23.6 79 81 A G E > S+D 45 0B 19 3,-0.4 3,-1.9 5,-0.4 -34,-0.3 -0.468 75.2 72.3 88.2-167.7 -22.0 7.4 27.0 80 82 A G E 3 S-D 43 0B 3 -37,-1.1 -37,-1.4 -36,-0.8 -1,-0.1 -0.420 123.6 -21.4 63.4-128.6 -20.3 4.6 28.8 81 83 A P T 3 S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.421 114.8 108.7 -93.0 -0.3 -17.0 5.8 30.4 82 84 A L < - 0 0 10 -3,-1.9 2,-0.5 -39,-0.1 -3,-0.4 -0.555 55.0-155.7 -85.8 140.2 -16.8 8.6 27.9 83 85 A D - 0 0 132 -2,-0.3 2,-0.2 -5,-0.1 -3,-0.0 -0.959 65.8 -9.9-112.2 124.0 -17.3 12.3 28.7 84 86 A G S S- 0 0 52 -2,-0.5 -5,-0.4 39,-0.1 2,-0.4 -0.579 102.3 -38.8 92.7-154.6 -18.4 14.4 25.7 85 87 A T - 0 0 29 -2,-0.2 38,-2.6 -7,-0.1 39,-0.5 -0.920 41.9-165.4-120.0 141.9 -18.6 13.4 22.0 86 88 A Y E -HI 77 122B 5 -9,-1.8 -9,-3.2 -2,-0.4 2,-0.4 -0.990 15.5-142.5-127.5 122.4 -16.2 11.2 20.0 87 89 A R E -HI 76 121B 46 34,-2.3 34,-1.8 -2,-0.4 2,-0.6 -0.702 17.2-119.4 -92.4 135.7 -16.4 11.2 16.1 88 90 A L E + I 0 120B 3 -13,-2.4 32,-0.3 -2,-0.4 -13,-0.2 -0.541 38.3 164.6 -71.3 114.6 -15.8 8.1 13.9 89 91 A I E - 0 0 37 30,-2.7 -21,-2.9 -2,-0.6 2,-0.3 0.808 61.4 -21.7-100.0 -39.6 -12.9 8.8 11.7 90 92 A Q E -GI 67 119B 19 29,-1.2 29,-3.3 -23,-0.2 -1,-0.4 -0.989 48.4-146.9-166.6 159.5 -12.1 5.2 10.5 91 93 A F E +GI 66 118B 0 -25,-1.1 -25,-2.2 -2,-0.3 2,-0.3 -0.990 22.4 163.1-134.8 144.5 -12.4 1.5 11.2 92 94 A H E - I 0 117B 11 25,-1.7 25,-2.8 -2,-0.4 2,-0.3 -0.881 23.3-123.1-146.9 177.9 -10.1 -1.3 10.4 93 95 A F E - I 0 116B 1 -29,-0.5 2,-0.4 -2,-0.3 23,-0.2 -0.804 2.6-151.8-127.2 169.2 -9.4 -4.9 11.4 94 96 A H E + I 0 115B 2 21,-1.5 21,-2.3 -2,-0.3 2,-0.3 -0.989 31.7 165.7-137.1 125.7 -6.7 -7.2 12.7 95 97 A W E - I 0 114B 2 -2,-0.4 146,-0.9 19,-0.2 145,-0.6 -0.878 26.2-121.3-140.8 172.7 -6.9 -10.9 11.7 96 98 A G - 0 0 0 17,-1.2 6,-0.1 5,-0.7 3,-0.1 -0.579 23.9-120.2-111.2 176.2 -4.9 -14.1 11.6 97 99 A S S S+ 0 0 42 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.598 106.8 38.2 -85.6 -13.8 -3.7 -16.6 9.0 98 100 A L S > S- 0 0 114 3,-0.2 3,-2.4 15,-0.1 -1,-0.2 -1.000 88.8-118.1-139.2 138.3 -5.8 -19.2 10.9 99 101 A D T 3 S+ 0 0 71 -2,-0.3 48,-0.2 1,-0.3 15,-0.0 0.689 108.5 73.1 -48.1 -19.5 -9.2 -18.8 12.6 100 102 A G T 3 S+ 0 0 59 2,-0.1 -1,-0.3 13,-0.1 2,-0.3 0.402 106.9 22.1 -79.6 3.9 -7.4 -19.7 15.9 101 103 A Q < + 0 0 61 -3,-2.4 -5,-0.7 12,-0.2 -3,-0.2 -0.961 68.1 99.2-158.4 168.6 -5.7 -16.3 16.1 102 104 A G + 0 0 0 1,-0.6 13,-0.2 -2,-0.3 11,-0.2 -0.205 55.5 102.0 142.2 -48.0 -6.1 -12.7 14.8 103 105 A S - 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