==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-MAR-10 3M96 . 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) . 11892.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.8 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 . 57 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 3 1.2 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 . 32 12.5 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 2 2 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 0 200 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 14.7 9.6 0.1 8.2 2 5 A W + 0 0 50 2,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.439 360.0 136.8 -68.0 152.0 7.7 -1.4 11.1 3 6 A G - 0 0 7 5,-2.5 10,-0.1 2,-0.2 58,-0.1 -0.764 64.4 -76.4-161.9-144.7 5.4 -4.2 10.2 4 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.417 84.3 105.8-118.2 8.9 4.4 -7.7 11.4 5 8 A G S > S- 0 0 42 4,-0.1 4,-2.2 1,-0.1 -2,-0.2 -0.014 84.1 -94.5 -84.4-179.0 7.4 -9.9 10.3 6 9 A K T 4 S+ 0 0 177 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.843 124.7 39.1 -65.3 -33.7 10.3 -11.6 12.3 7 10 A H T 4 S+ 0 0 160 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.659 133.0 19.2 -99.1 -14.3 12.5 -8.7 11.7 8 11 A N T 4 S+ 0 0 51 -6,-0.0 -5,-2.5 3,-0.0 -2,-0.2 0.230 97.1 112.8-134.8 16.9 10.2 -5.7 12.0 9 12 A G S >X S- 0 0 2 -4,-2.2 3,-2.8 -5,-0.2 4,-0.9 0.173 86.2 -60.8 -85.7-173.3 7.2 -7.1 14.0 10 13 A P T 34 S+ 0 0 26 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.783 128.1 59.6 -43.7 -34.6 5.9 -6.3 17.4 11 14 A E T 34 S+ 0 0 143 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.688 109.4 46.0 -75.9 -6.8 9.0 -7.4 19.3 12 15 A H T X> S+ 0 0 53 -3,-2.8 3,-2.0 1,-0.1 4,-0.6 0.570 85.5 90.2 -97.0 -23.3 11.0 -4.8 17.4 13 16 A W H 3X S+ 0 0 6 -4,-0.9 4,-2.2 -3,-0.5 3,-0.5 0.783 73.3 69.4 -56.7 -29.2 8.7 -1.8 17.7 14 17 A H H 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.754 88.1 65.1 -61.8 -22.8 10.2 -0.5 21.0 15 18 A K H <4 S+ 0 0 133 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.941 117.7 25.0 -70.5 -44.7 13.5 0.5 19.2 16 19 A D H < S+ 0 0 111 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.725 136.6 33.9 -86.1 -18.6 11.7 3.1 17.1 17 20 A F >< - 0 0 55 -4,-2.2 3,-2.7 1,-0.1 -1,-0.2 -0.771 67.0-176.7-138.1 74.0 8.8 3.7 19.5 18 21 A P G > S+ 0 0 97 0, 0.0 3,-2.0 0, 0.0 -4,-0.1 0.760 75.1 75.2 -55.9 -25.0 10.0 3.3 23.0 19 22 A I G > S+ 0 0 70 1,-0.3 3,-3.7 2,-0.2 5,-0.2 0.734 70.2 91.9 -60.0 -10.8 6.5 3.8 24.6 20 23 A A G < S+ 0 0 7 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.749 89.3 45.1 -48.8 -29.7 5.9 0.2 23.3 21 24 A K G < S+ 0 0 131 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.131 98.3 126.8-103.1 27.6 7.2 -0.7 26.9 22 25 A G S < S- 0 0 12 -3,-3.7 3,-0.5 1,-0.1 -3,-0.1 0.178 72.8 -98.6 -76.8-174.7 4.9 2.0 28.5 23 26 A E S S+ 0 0 119 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.549 111.4 33.5 -89.1 -6.0 2.5 1.9 31.2 24 27 A R S S+ 0 0 45 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.349 78.8 156.8-145.7 59.7 -0.9 1.7 29.3 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.542 32.5-102.2 -86.2 149.3 -0.1 -0.4 26.1 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.910 77.0 40.9-123.2 160.4 -2.7 -2.3 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.565 64.7 174.8 -78.1-173.4 -4.0 -4.8 23.5 28 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.927 37.7 -96.9-143.1 166.1 -4.4 -6.8 26.7 29 32 A D E -a 105 0A 31 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.707 34.6-138.8 -80.6 133.3 -5.9 -10.1 27.8 30 33 A I E -a 106 0A 0 75,-3.0 77,-2.9 -2,-0.4 2,-1.0 -0.840 10.4-159.2 -97.1 107.2 -9.3 -9.5 29.3 31 34 A D >> - 0 0 66 -2,-0.9 4,-0.8 75,-0.2 3,-0.7 -0.824 6.0-161.1 -85.2 102.5 -9.5 -11.7 32.4 32 35 A T T 34 S+ 0 0 42 -2,-1.0 -1,-0.2 1,-0.3 3,-0.0 0.721 84.2 55.7 -63.6 -25.0 -13.3 -11.9 32.6 33 36 A H T 34 S+ 0 0 166 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.837 112.3 41.3 -77.6 -29.6 -13.3 -13.0 36.2 34 37 A T T <4 S+ 0 0 90 -3,-0.7 2,-0.4 2,-0.1 218,-0.2 0.344 86.5 107.4-102.3 2.2 -11.2 -10.1 37.4 35 38 A A S < S- 0 0 15 -4,-0.8 2,-0.6 216,-0.1 218,-0.2 -0.624 73.2-126.4 -64.7 134.2 -12.9 -7.4 35.4 36 39 A K E -c 253 0B 127 216,-2.4 218,-2.7 -2,-0.4 2,-0.2 -0.794 9.0-127.1 -90.4 128.8 -14.9 -5.4 37.8 37 40 A Y E -c 254 0B 105 -2,-0.6 218,-0.2 216,-0.2 3,-0.1 -0.407 24.9-161.3 -63.6 126.3 -18.6 -4.8 37.1 38 41 A D > - 0 0 24 216,-2.8 3,-1.8 -2,-0.2 -1,-0.1 -0.896 13.2-171.6-116.8 97.6 -19.1 -1.0 37.3 39 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.709 85.6 65.0 -67.9 -13.4 -22.8 -0.1 37.9 40 43 A S T 3 S+ 0 0 91 -3,-0.1 2,-0.1 2,-0.1 215,-0.1 0.604 78.7 103.1 -78.0 -11.7 -21.9 3.6 37.3 41 44 A L < - 0 0 30 -3,-1.8 3,-0.1 213,-0.2 38,-0.0 -0.499 68.4-136.8 -68.8 144.5 -20.9 2.8 33.6 42 45 A K - 0 0 135 37,-1.2 2,-0.1 1,-0.1 39,-0.1 -0.521 27.3 -84.7 -99.5 159.7 -23.6 4.0 31.1 43 46 A P - 0 0 116 0, 0.0 36,-1.9 0, 0.0 2,-0.2 -0.448 53.2-105.7 -56.0 147.9 -25.0 2.2 28.1 44 47 A L E -D 78 0B 13 141,-0.3 2,-0.6 34,-0.3 34,-0.2 -0.517 30.1-146.9 -70.6 140.4 -22.8 2.8 25.1 45 48 A S E -D 77 0B 40 32,-2.8 32,-2.3 -2,-0.2 2,-0.6 -0.940 18.0-179.8-113.7 118.1 -24.4 5.2 22.7 46 49 A V E -D 76 0B 32 -2,-0.6 2,-0.7 30,-0.2 30,-0.2 -0.948 2.6-178.2-117.3 111.2 -23.6 4.4 19.1 47 50 A S E +D 75 0B 43 28,-3.0 28,-1.7 -2,-0.6 3,-0.2 -0.788 23.2 144.5-121.6 89.8 -25.2 6.9 16.6 48 51 A Y > + 0 0 2 -2,-0.7 3,-1.9 26,-0.2 130,-0.2 0.390 32.5 109.7-108.1 11.4 -24.2 5.8 13.2 49 52 A D T 3 S+ 0 0 91 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.812 89.1 37.2 -61.0 -27.4 -27.4 6.7 11.2 50 53 A Q T 3 S+ 0 0 114 23,-0.2 -1,-0.3 -3,-0.2 24,-0.2 0.208 82.9 145.0-110.0 13.9 -25.7 9.5 9.4 51 54 A A < - 0 0 21 -3,-1.9 2,-0.5 22,-0.2 18,-0.1 -0.289 33.6-158.1 -57.2 139.0 -22.3 7.9 8.9 52 55 A T - 0 0 48 16,-0.3 16,-2.9 122,-0.1 2,-0.1 -0.900 3.3-162.0-123.1 96.2 -20.6 8.9 5.6 53 56 A S E +E 67 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.462 10.7 178.2 -74.6 154.5 -18.0 6.5 4.4 54 57 A L E - 0 0 81 12,-3.6 118,-2.1 1,-0.5 2,-0.3 0.666 51.9 -14.6-118.2 -48.4 -15.6 7.9 1.8 55 58 A R E -EF 66 171B 81 11,-1.0 11,-3.2 116,-0.3 -1,-0.5 -0.990 47.2-129.0-158.5 162.3 -13.0 5.5 0.8 56 59 A I E -EF 65 170B 0 114,-2.1 114,-2.2 -2,-0.3 2,-0.4 -0.982 28.9-168.7-126.8 134.8 -11.2 2.2 1.6 57 60 A L E -EF 64 169B 33 7,-2.4 7,-2.8 -2,-0.4 2,-0.7 -0.987 24.8-145.4-130.1 132.4 -7.4 2.1 1.7 58 61 A N E +E 63 0B 0 110,-2.8 109,-3.4 -2,-0.4 5,-0.2 -0.858 22.2 178.8 -88.0 112.6 -4.7 -0.6 1.9 59 62 A N - 0 0 52 3,-2.0 4,-0.1 -2,-0.7 -1,-0.1 0.358 53.4-101.5-105.0 10.9 -2.1 1.1 4.0 60 63 A G S S+ 0 0 6 2,-0.6 3,-0.1 166,-0.2 106,-0.1 0.406 116.5 56.9 85.2 -4.1 0.3 -1.8 4.0 61 64 A H S S- 0 0 42 1,-0.6 2,-0.2 -58,-0.1 166,-0.1 0.650 124.5 -35.2-124.1 -37.5 -0.7 -3.0 7.5 62 65 A A S S- 0 0 6 -5,-0.1 -3,-2.0 31,-0.1 -1,-0.6 -0.817 73.2 -84.7-159.8-161.9 -4.4 -3.5 7.2 63 66 A F E -E 58 0B 0 -2,-0.2 2,-0.5 29,-0.2 29,-0.5 -0.983 34.5-151.5-119.5 141.4 -7.2 -1.7 5.3 64 67 A N E -E 57 0B 23 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.6 -0.923 5.8-154.0-107.7 128.0 -9.0 1.4 6.6 65 68 A V E -EG 56 90B 0 25,-2.9 25,-1.8 -2,-0.5 2,-0.3 -0.936 29.0-151.6 -92.4 124.6 -12.6 2.3 5.7 66 69 A E E -EG 55 89B 41 -11,-3.2 -12,-3.6 -2,-0.6 -11,-1.0 -0.675 10.7-157.2-110.6 146.4 -12.6 6.1 6.1 67 70 A F E -E 53 0B 8 21,-2.6 2,-0.9 -14,-0.3 -14,-0.2 -0.840 29.3-107.5-118.4 151.5 -15.4 8.4 7.1 68 71 A D + 0 0 40 -16,-2.9 -16,-0.3 -2,-0.3 3,-0.3 -0.755 39.4 175.2 -74.5 109.3 -16.1 12.1 6.6 69 72 A D + 0 0 38 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.062 46.5 105.5-105.8 30.3 -15.6 13.3 10.1 70 73 A S S S+ 0 0 84 2,-0.0 2,-0.3 56,-0.0 -1,-0.2 0.484 83.3 35.7 -96.5 1.4 -16.0 17.0 9.3 71 74 A Q S S- 0 0 114 -3,-0.3 2,-1.5 3,-0.0 3,-0.2 -0.936 98.6 -89.2-138.2 175.8 -19.4 17.1 10.9 72 75 A D S S+ 0 0 96 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.617 79.3 117.4 -83.7 88.3 -21.2 15.6 13.7 73 76 A K + 0 0 48 -2,-1.5 2,-0.8 1,-0.3 -23,-0.2 0.642 66.4 30.1-114.5 -84.5 -22.5 12.5 12.1 74 77 A A S S+ 0 0 5 -24,-0.2 13,-3.1 -3,-0.2 2,-0.4 -0.710 79.8 171.2 -87.7 99.5 -21.4 9.1 13.4 75 78 A V E -DH 47 86B 12 -28,-1.7 -28,-3.0 -2,-0.8 2,-0.5 -0.902 29.4-154.3-124.8 147.6 -20.6 9.5 17.1 76 79 A L E +DH 46 85B 0 9,-3.0 9,-2.3 -2,-0.4 2,-0.3 -0.942 32.6 145.3-110.9 132.7 -19.8 7.4 20.0 77 80 A K E +DH 45 84B 95 -32,-2.3 -32,-2.8 -2,-0.5 7,-0.1 -0.885 36.8 39.6-151.5 179.4 -20.7 8.6 23.5 78 81 A G E > S+D 44 0B 15 5,-0.5 3,-2.4 -2,-0.3 -34,-0.3 -0.340 73.3 89.4 72.3-151.2 -21.9 7.4 26.8 79 82 A G T 3 S- 0 0 5 -36,-1.9 -37,-1.2 1,-0.3 -1,-0.1 -0.373 121.7 -27.5 59.8-137.1 -20.4 4.1 28.1 80 83 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.489 114.8 114.8 -83.0 2.5 -17.2 5.2 30.0 81 84 A L < - 0 0 15 -3,-2.4 -3,-0.3 1,-0.1 -39,-0.1 -0.478 53.8-156.2 -88.3 146.1 -16.8 8.4 27.9 82 85 A D S S+ 0 0 163 -2,-0.2 2,-0.2 53,-0.1 -1,-0.1 0.482 73.5 2.1 -95.8 -14.7 -17.0 12.0 29.0 83 86 A G S S- 0 0 28 -5,-0.1 -5,-0.5 -7,-0.1 2,-0.4 -0.438 94.9 -54.6-139.9-127.4 -17.8 13.6 25.9 84 87 A T E -H 77 0B 34 -2,-0.2 38,-2.3 -7,-0.1 2,-0.4 -0.941 39.4-164.9-118.9 138.2 -18.5 13.0 22.2 85 88 A Y E -HI 76 121B 5 -9,-2.3 -9,-3.0 -2,-0.4 2,-0.4 -0.997 11.9-142.0-124.9 134.7 -16.2 11.0 19.9 86 89 A R E -HI 75 120B 36 34,-2.8 34,-2.2 -2,-0.4 -11,-0.2 -0.776 19.7-115.9-101.9 136.6 -16.5 11.1 16.1 87 90 A L E + I 0 119B 2 -13,-3.1 32,-0.3 -2,-0.4 -13,-0.2 -0.437 38.1 164.9 -68.5 128.2 -15.9 8.1 13.9 88 91 A I E - 0 0 36 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.673 59.6 -23.0-110.9 -36.9 -13.0 8.5 11.6 89 92 A Q E -GI 66 118B 32 29,-1.3 29,-2.7 -23,-0.2 -1,-0.4 -0.985 46.9-143.6-163.9 158.8 -12.2 5.0 10.3 90 93 A F E +GI 65 117B 0 -25,-1.8 -25,-2.9 -2,-0.3 2,-0.3 -0.971 22.6 160.9-125.5 158.7 -12.5 1.3 10.9 91 94 A H E - I 0 116B 22 25,-1.9 25,-3.0 -2,-0.3 2,-0.3 -0.927 23.6-128.3-155.7 174.6 -10.1 -1.5 10.2 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.846 0.3-147.5-128.3 163.5 -9.5 -5.1 11.2 93 96 A H E + I 0 114B 2 21,-2.1 21,-2.3 -2,-0.3 2,-0.3 -0.983 31.1 167.0-122.0 139.0 -6.8 -7.3 12.5 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-1.0 -0.943 23.5-118.5-151.9 171.2 -6.8 -11.0 11.5 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.457 24.6-116.6-108.3 178.1 -4.8 -14.1 11.4 96 99 A S S S+ 0 0 43 142,-0.2 2,-0.3 -2,-0.2 5,-0.1 0.616 106.2 30.5 -79.4 -15.7 -3.4 -16.8 9.0 97 100 A L S > S- 0 0 104 3,-0.3 3,-1.8 15,-0.1 -2,-0.2 -0.950 90.2-110.0-141.5 158.5 -5.6 -19.3 10.6 98 101 A D T 3 S+ 0 0 76 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.704 110.9 69.6 -66.0 -23.2 -9.1 -19.1 12.3 99 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.408 106.5 27.3 -77.1 5.2 -7.4 -19.8 15.7 100 103 A Q < + 0 0 49 -3,-1.8 -5,-0.6 12,-0.1 -3,-0.3 -0.969 66.2 97.5-154.3 166.0 -5.7 -16.4 15.9 101 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 -0.015 54.7 106.9 142.2 -33.2 -6.0 -12.8 14.7 102 105 A S - 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