==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-MAR-10 3M98 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRAZULIS,E.MANAKOVA,D.GOLOVENKO . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11815.0 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 . 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 . 25 9.7 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 0 170 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.8 10.3 0.1 8.9 2 5 A W + 0 0 54 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.267 360.0 126.8 -69.7 155.5 7.8 -1.5 11.3 3 6 A G - 0 0 7 5,-2.4 10,-0.1 2,-0.1 -1,-0.1 -0.805 67.7 -75.7-171.5-145.2 5.5 -4.3 10.4 4 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.386 83.4 106.9-124.4 6.3 4.5 -7.7 11.5 5 8 A G S > S- 0 0 38 4,-0.1 4,-2.1 1,-0.1 3,-0.2 -0.039 84.0 -92.4 -73.2-174.9 7.5 -10.0 10.4 6 9 A K T 4 S+ 0 0 156 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.868 125.9 40.2 -64.4 -32.0 10.4 -11.8 12.3 7 10 A H T 4 S+ 0 0 142 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.654 132.1 17.8 -98.5 -11.9 12.6 -8.8 11.7 8 11 A N T 4 S+ 0 0 46 -3,-0.2 -5,-2.4 -6,-0.0 -2,-0.2 0.215 93.5 118.2-142.6 16.4 10.3 -5.9 12.2 9 12 A G S >X S- 0 0 0 -4,-2.1 3,-2.7 -5,-0.2 4,-0.7 0.130 82.8 -63.5 -80.1-171.1 7.3 -7.2 14.2 10 13 A P G >4 S+ 0 0 23 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.776 127.5 59.5 -48.7 -37.6 5.9 -6.3 17.6 11 14 A E G 34 S+ 0 0 114 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.612 109.2 47.3 -70.5 -12.2 8.9 -7.4 19.6 12 15 A H G X> S+ 0 0 45 -3,-2.7 3,-1.7 1,-0.1 4,-0.5 0.550 85.8 87.9 -94.2 -18.2 11.0 -4.9 17.7 13 16 A W H XX S+ 0 0 6 -3,-0.8 4,-2.6 -4,-0.7 3,-0.8 0.770 73.1 71.3 -56.9 -31.7 8.8 -1.9 17.9 14 17 A H H 34 S+ 0 0 66 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.716 88.2 65.2 -62.5 -23.6 10.2 -0.6 21.2 15 18 A K H <4 S+ 0 0 132 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.892 117.3 25.3 -67.3 -41.4 13.5 0.4 19.5 16 19 A D H << S+ 0 0 99 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.738 136.4 33.9 -86.9 -26.6 11.8 3.1 17.4 17 20 A F >< - 0 0 55 -4,-2.6 3,-2.6 1,-0.1 -1,-0.2 -0.801 66.1-176.1-132.4 78.5 8.8 3.7 19.8 18 21 A P G > S+ 0 0 101 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.709 77.1 75.0 -54.1 -22.7 10.1 3.3 23.4 19 22 A I G > S+ 0 0 70 1,-0.3 3,-3.4 179,-0.2 -5,-0.1 0.683 70.4 90.3 -63.8 -13.0 6.5 3.8 24.8 20 23 A A G < S+ 0 0 6 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.764 90.8 44.9 -50.2 -27.1 6.0 0.2 23.5 21 24 A K G < S+ 0 0 138 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 0.035 98.0 130.0-103.9 29.9 7.2 -0.7 27.1 22 25 A G S < S- 0 0 13 -3,-3.4 3,-0.5 1,-0.1 -3,-0.1 0.122 72.0 -99.9 -79.9-173.1 4.9 1.9 28.7 23 26 A E S S+ 0 0 124 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.588 112.3 32.6 -87.0 -10.2 2.4 1.9 31.5 24 27 A R S S+ 0 0 45 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.318 79.3 155.4-145.7 55.9 -0.9 1.7 29.6 25 28 A Q - 0 0 4 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.517 32.2-101.9 -86.8 153.2 -0.2 -0.3 26.4 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.885 76.8 41.6-125.3 160.3 -2.7 -2.3 24.4 27 30 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.591 65.3 177.4 -77.5-178.2 -4.0 -4.9 23.7 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.5 -0.904 36.7 -99.4-140.2 161.5 -4.4 -6.8 26.9 29 32 A D E -a 105 0A 28 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.756 35.5-138.0 -77.8 133.9 -5.8 -10.2 28.0 30 33 A I E -a 106 0A 0 75,-3.1 77,-3.0 -2,-0.5 2,-1.0 -0.829 10.6-157.8 -96.7 105.7 -9.3 -9.6 29.6 31 34 A D > - 0 0 64 -2,-0.9 4,-1.3 75,-0.2 3,-0.4 -0.797 5.2-162.0 -84.2 103.7 -9.5 -11.8 32.6 32 35 A T T 4 S+ 0 0 42 -2,-1.0 -1,-0.2 1,-0.2 222,-0.0 0.777 84.0 54.4 -67.5 -25.3 -13.3 -12.1 32.9 33 36 A H T 4 S+ 0 0 166 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.859 113.2 41.7 -75.0 -33.2 -13.3 -13.2 36.5 34 37 A T T 4 S+ 0 0 100 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.520 84.9 109.6 -95.0 -6.2 -11.2 -10.3 37.7 35 38 A A S < S- 0 0 17 -4,-1.3 2,-0.6 216,-0.1 218,-0.2 -0.438 71.8-125.8 -63.8 140.7 -12.9 -7.5 35.7 36 39 A K E -c 253 0B 114 216,-2.5 218,-2.4 -2,-0.1 2,-0.2 -0.818 12.0-130.1 -97.5 122.1 -14.8 -5.4 38.2 37 40 A Y E -c 254 0B 101 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.496 21.3-162.2 -64.2 129.1 -18.6 -4.8 37.5 38 41 A D > - 0 0 32 216,-2.6 3,-2.0 -2,-0.2 -1,-0.1 -0.921 10.1-169.8-119.4 98.9 -19.2 -1.1 37.7 39 42 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.671 85.9 64.3 -66.7 -12.9 -23.0 -0.5 38.2 40 43 A S T 3 S+ 0 0 92 -3,-0.1 2,-0.3 2,-0.1 215,-0.1 0.502 76.3 108.3 -83.9 -5.0 -22.3 3.3 37.6 41 44 A L < - 0 0 31 -3,-2.0 3,-0.1 213,-0.2 38,-0.0 -0.540 66.9-135.8 -67.7 137.8 -21.1 2.6 33.9 42 45 A K - 0 0 131 37,-1.0 39,-0.1 -2,-0.3 3,-0.1 -0.454 26.6 -86.5 -91.4 160.6 -23.8 3.9 31.5 43 46 A P - 0 0 113 0, 0.0 36,-2.0 0, 0.0 2,-0.2 -0.422 52.4-105.7 -55.8 144.4 -25.1 2.1 28.4 44 47 A L E -D 78 0B 13 141,-0.3 2,-0.6 34,-0.3 34,-0.2 -0.499 28.6-143.5 -72.3 140.0 -22.9 2.8 25.4 45 48 A S E -D 77 0B 44 32,-2.9 32,-2.0 -2,-0.2 2,-0.7 -0.930 19.0-178.0-107.3 109.4 -24.5 5.3 22.9 46 49 A V E -D 76 0B 32 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.911 1.2-179.0-108.6 110.6 -23.6 4.4 19.3 47 50 A S E +D 75 0B 43 28,-2.9 28,-2.0 -2,-0.7 3,-0.2 -0.776 23.7 143.0-116.9 84.3 -25.2 6.9 16.9 48 51 A Y > + 0 0 3 -2,-0.7 3,-2.0 26,-0.2 130,-0.2 0.365 33.0 108.4-105.5 5.8 -24.3 5.8 13.4 49 52 A D T 3 S+ 0 0 94 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.826 86.9 40.8 -53.2 -37.1 -27.5 6.7 11.4 50 53 A Q T 3 S+ 0 0 128 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.192 82.8 147.2-100.3 18.0 -25.9 9.7 9.6 51 54 A A < - 0 0 24 -3,-2.0 2,-0.6 1,-0.1 23,-0.1 -0.259 32.6-158.8 -55.6 140.2 -22.5 8.0 8.9 52 55 A T - 0 0 46 16,-0.4 16,-2.6 122,-0.1 2,-0.2 -0.888 5.7-165.8-120.0 93.9 -20.8 9.1 5.7 53 56 A S E +E 67 0B 1 -2,-0.6 121,-0.6 122,-0.3 14,-0.3 -0.528 11.4 173.7 -74.6 152.8 -18.2 6.5 4.5 54 57 A L E - 0 0 78 12,-3.4 118,-2.2 1,-0.4 2,-0.3 0.690 49.2 -4.2-122.1 -42.7 -15.9 7.9 1.8 55 58 A R E -EF 66 171B 85 11,-1.2 11,-2.8 116,-0.3 -1,-0.4 -0.986 46.6-135.5-157.0 156.3 -13.1 5.6 0.9 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.4 -2,-0.3 2,-0.4 -0.992 27.9-170.3-124.8 136.7 -11.3 2.3 1.6 57 60 A L E -EF 64 169B 33 7,-2.3 7,-2.7 -2,-0.4 2,-0.7 -0.993 25.7-145.7-134.4 133.0 -7.5 2.2 1.7 58 61 A N E +E 63 0B 0 110,-2.6 109,-3.1 -2,-0.4 5,-0.2 -0.869 23.5 179.7 -88.4 107.3 -4.8 -0.6 1.9 59 62 A N - 0 0 48 3,-2.1 4,-0.1 -2,-0.7 -1,-0.1 0.339 51.5-102.2 -97.8 9.7 -2.2 1.2 4.0 60 63 A G S S+ 0 0 6 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.317 116.8 54.0 89.4 -9.2 0.3 -1.6 4.1 61 64 A H S S- 0 0 43 1,-0.5 2,-0.2 -58,-0.1 166,-0.1 0.576 125.1 -30.7-122.8 -30.0 -0.7 -2.8 7.6 62 65 A A S S- 0 0 6 -5,-0.1 -3,-2.1 164,-0.1 -1,-0.5 -0.853 72.0 -87.7-163.6-172.0 -4.5 -3.3 7.3 63 66 A F E -E 58 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.5 -0.984 35.7-152.6-114.6 141.0 -7.3 -1.7 5.3 64 67 A N E -E 57 0B 23 -7,-2.7 -7,-2.3 -2,-0.4 2,-0.6 -0.936 9.5-154.5-109.2 132.2 -9.2 1.4 6.6 65 68 A V E -EG 56 90B 0 25,-2.8 25,-1.9 -2,-0.5 2,-0.3 -0.927 28.9-152.9 -98.3 119.4 -12.7 2.3 5.8 66 69 A E E -EG 55 89B 42 -11,-2.8 -12,-3.4 -2,-0.6 -11,-1.2 -0.718 10.0-160.1-104.5 149.5 -12.7 6.1 6.2 67 70 A F E -E 53 0B 8 21,-2.4 2,-0.7 -2,-0.3 -14,-0.2 -0.820 31.4-101.7-122.9 155.5 -15.6 8.4 7.2 68 71 A D + 0 0 37 -16,-2.6 -16,-0.4 -2,-0.3 3,-0.3 -0.681 40.8 173.4 -76.3 117.3 -16.3 12.1 6.9 69 72 A D + 0 0 44 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 -0.084 47.3 105.4-115.5 31.8 -15.6 13.3 10.5 70 73 A S S S+ 0 0 83 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.411 88.1 25.9 -97.2 1.7 -16.0 17.1 9.7 71 74 A Q S S- 0 0 118 -3,-0.3 2,-1.2 3,-0.1 3,-0.4 -0.934 100.3 -86.6-147.9 170.2 -19.4 17.1 11.5 72 75 A D S S+ 0 0 94 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.684 77.6 126.6 -80.5 94.8 -21.1 15.1 14.2 73 76 A K S S+ 0 0 46 -2,-1.2 -23,-0.9 1,-0.3 2,-0.4 0.525 72.3 23.2-121.1 -37.4 -22.5 12.4 12.0 74 77 A A S S+ 0 0 5 -3,-0.4 13,-3.3 -24,-0.2 2,-0.3 -0.867 85.0 168.4-134.6 106.5 -21.4 9.0 13.4 75 78 A V E -DH 47 86B 17 -28,-2.0 -28,-2.9 -2,-0.4 2,-0.4 -0.924 29.8-152.6-131.7 148.4 -20.6 9.4 17.1 76 79 A L E +DH 46 85B 0 9,-2.8 9,-2.5 -2,-0.3 2,-0.3 -0.950 32.4 142.1-111.4 137.5 -19.9 7.4 20.2 77 80 A K E +D 45 0B 88 -32,-2.0 -32,-2.9 -2,-0.4 7,-0.1 -0.927 37.7 43.4-161.4-179.3 -20.7 8.7 23.7 78 81 A G E > S+D 44 0B 6 5,-0.5 3,-2.8 3,-0.3 -34,-0.3 -0.405 73.5 88.6 69.6-150.3 -22.0 7.5 27.0 79 82 A G T 3 S- 0 0 5 -36,-2.0 -37,-1.0 1,-0.3 -1,-0.1 -0.358 121.8 -27.1 59.5-133.2 -20.6 4.2 28.3 80 83 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.424 116.6 111.2 -85.3 3.3 -17.4 5.3 30.3 81 84 A L < - 0 0 13 -3,-2.8 -3,-0.3 1,-0.1 -39,-0.1 -0.544 53.2-160.3 -90.5 148.3 -16.9 8.4 28.2 82 85 A D S S+ 0 0 167 -2,-0.2 -1,-0.1 -5,-0.1 2,-0.1 0.703 71.9 14.7 -94.6 -32.2 -17.3 12.0 29.1 83 86 A G S S- 0 0 23 -5,-0.1 -5,-0.5 -6,-0.0 2,-0.4 -0.324 92.7 -65.2-121.2-135.5 -17.8 13.7 25.9 84 87 A T - 0 0 36 -7,-0.1 38,-2.6 -2,-0.1 2,-0.4 -0.908 37.9-163.9-118.0 130.3 -18.6 13.0 22.3 85 88 A Y E -HI 76 121B 6 -9,-2.5 -9,-2.8 -2,-0.4 2,-0.4 -0.981 11.0-142.1-119.4 131.8 -16.3 11.1 20.0 86 89 A R E -HI 75 120B 45 34,-2.5 34,-2.2 -2,-0.4 2,-0.3 -0.780 20.2-117.3 -98.4 132.8 -16.5 11.1 16.1 87 90 A L E + I 0 119B 2 -13,-3.3 32,-0.2 -2,-0.4 -13,-0.1 -0.463 37.7 166.7 -64.9 127.3 -16.0 8.0 14.0 88 91 A I E - 0 0 37 30,-2.8 -21,-2.4 1,-0.4 2,-0.3 0.742 60.6 -25.9-109.7 -38.1 -12.9 8.6 11.7 89 92 A Q E -GI 66 118B 33 29,-1.3 29,-2.9 -23,-0.2 -1,-0.4 -0.988 47.8-143.1-164.3 161.4 -12.2 5.1 10.4 90 93 A F E +GI 65 117B 0 -25,-1.9 -25,-2.8 -2,-0.3 2,-0.3 -0.972 22.7 161.6-129.1 162.3 -12.5 1.4 11.1 91 94 A H E - I 0 116B 22 25,-1.8 25,-3.2 -2,-0.3 2,-0.3 -0.916 23.7-127.4-159.1 174.7 -10.1 -1.5 10.3 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.861 0.9-146.9-129.5 162.9 -9.5 -5.1 11.4 93 96 A H E + I 0 114B 2 21,-1.9 21,-2.1 -2,-0.3 2,-0.3 -0.984 31.4 170.4-123.1 139.6 -6.7 -7.3 12.6 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.9 -0.925 23.4-116.3-149.1 170.6 -6.8 -11.0 11.6 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.433 23.4-120.8-106.2 176.7 -4.8 -14.2 11.5 96 99 A S S S+ 0 0 45 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.568 106.2 32.0 -82.8 -11.0 -3.2 -16.7 9.0 97 100 A L S > S- 0 0 104 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.960 90.0-111.3-142.5 153.5 -5.5 -19.3 10.7 98 101 A D T 3 S+ 0 0 75 -2,-0.3 48,-0.1 1,-0.3 -3,-0.1 0.763 110.3 69.1 -62.0 -23.1 -9.0 -19.2 12.3 99 102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.417 107.2 26.7 -81.0 7.0 -7.4 -19.9 15.7 100 103 A Q < + 0 0 53 -3,-1.6 -5,-0.7 12,-0.1 -3,-0.3 -0.974 65.0 99.3-155.9 166.5 -5.6 -16.5 16.0 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 -0.001 54.0 109.4 142.4 -32.5 -6.0 -12.9 14.8 102 105 A S - 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