==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 09-MAR-12 4E3G . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.M.COHEN,D.P.MARTIN . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.0 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 . 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 . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 13.6 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 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 0 173 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-157.9 30.8 0.1 8.6 2 5 A W + 0 0 40 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.220 360.0 130.5 -74.1 156.2 28.6 -1.7 11.1 3 6 A G - 0 0 6 5,-2.6 10,-0.1 2,-0.1 -1,-0.1 -0.786 62.5 -79.0-166.1-147.7 26.4 -4.6 10.3 4 7 A Y S S+ 0 0 32 -2,-0.2 2,-0.2 5,-0.2 5,-0.2 -0.042 82.0 104.5-129.3 28.5 25.4 -8.1 11.4 5 8 A G S >> S- 0 0 39 1,-0.1 4,-1.5 235,-0.0 3,-0.6 -0.554 86.7 -92.8 -97.5-179.0 28.2 -10.4 10.1 6 9 A K T 34 S+ 0 0 175 1,-0.2 5,-0.1 -2,-0.2 -1,-0.1 0.874 123.5 43.8 -61.0 -34.1 31.0 -12.0 12.1 7 10 A H T 34 S+ 0 0 161 1,-0.2 -1,-0.2 4,-0.0 -5,-0.0 0.669 129.7 18.7 -92.5 -17.4 33.3 -9.1 11.4 8 11 A N T <4 S+ 0 0 60 -3,-0.6 -5,-2.6 -6,-0.1 -2,-0.2 0.212 94.2 125.2-135.7 15.7 31.1 -6.1 11.9 9 12 A G S >X S- 0 0 5 -4,-1.5 3,-2.4 -7,-0.2 4,-0.7 0.144 79.7 -67.9 -74.0-173.5 28.2 -7.5 14.0 10 13 A P T 34 S+ 0 0 30 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.736 126.4 61.4 -51.9 -32.3 26.8 -6.4 17.4 11 14 A E T 34 S+ 0 0 158 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.651 108.0 46.5 -71.3 -10.2 29.9 -7.4 19.5 12 15 A H T X> S+ 0 0 67 -3,-2.4 3,-2.2 1,-0.1 4,-0.5 0.622 86.2 88.9 -96.6 -19.5 32.0 -4.9 17.5 13 16 A W H >X S+ 0 0 6 -4,-0.7 4,-2.6 -3,-0.5 3,-0.5 0.792 73.7 68.7 -62.2 -28.7 29.7 -2.0 17.6 14 17 A H H 34 S+ 0 0 74 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.718 87.4 68.7 -59.9 -21.0 31.1 -0.6 20.9 15 18 A K H <4 S+ 0 0 132 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.946 116.2 22.2 -66.6 -45.2 34.4 0.3 19.2 16 19 A D H << S+ 0 0 111 -4,-0.5 -2,-0.2 -3,-0.5 -1,-0.2 0.741 135.2 40.9 -87.3 -22.9 32.8 3.1 17.0 17 20 A F >< - 0 0 44 -4,-2.6 3,-2.7 -5,-0.2 -1,-0.2 -0.766 64.3-179.0-126.8 82.6 29.8 3.6 19.4 18 21 A P G > S+ 0 0 100 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.766 76.3 74.5 -60.5 -22.4 30.9 3.4 23.0 19 22 A I G > S+ 0 0 57 1,-0.3 3,-2.7 2,-0.2 5,-0.2 0.651 72.3 88.3 -63.1 -14.6 27.4 3.9 24.3 20 23 A A G < S+ 0 0 5 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.730 92.0 44.0 -48.1 -28.7 26.9 0.3 23.2 21 24 A K G < S+ 0 0 145 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.052 96.9 130.4-107.5 25.5 28.1 -0.6 26.7 22 25 A G S X S- 0 0 16 -3,-2.7 3,-0.5 1,-0.1 -3,-0.0 0.115 72.0-100.6 -74.8-176.0 25.9 2.2 28.3 23 26 A E T 3 S+ 0 0 120 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.541 113.0 36.0 -86.2 -8.3 23.5 2.1 31.2 24 27 A R T 3 S+ 0 0 45 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.278 79.3 155.4-145.5 51.2 20.2 1.9 29.3 25 28 A Q < - 0 0 2 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.486 32.2 -99.2 -83.0 153.4 20.8 -0.2 26.2 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.890 77.9 36.3-127.2 158.9 18.2 -2.2 24.2 27 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.601 65.7 178.5 -80.9-177.9 16.9 -4.7 23.6 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.906 36.8 -99.6-136.7 160.8 16.6 -6.7 27.0 29 32 A D E -a 105 0A 30 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.721 34.3-140.5 -74.7 134.6 15.2 -9.9 28.1 30 33 A I E -a 106 0A 0 75,-2.9 77,-2.4 -2,-0.4 2,-0.9 -0.878 10.7-158.9 -99.4 106.5 11.8 -9.3 29.6 31 34 A D >> - 0 0 66 -2,-0.8 3,-1.8 75,-0.2 4,-1.6 -0.800 4.5-157.2 -86.7 109.8 11.6 -11.6 32.7 32 35 A T T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.786 88.7 56.2 -64.9 -24.9 7.8 -11.8 33.1 33 36 A H T 34 S+ 0 0 163 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.367 109.7 43.9 -89.8 3.7 8.1 -12.8 36.7 34 37 A T T <4 S+ 0 0 103 -3,-1.8 -2,-0.2 2,-0.0 -1,-0.2 0.559 92.2 95.3-114.3 -24.3 10.2 -9.7 37.6 35 38 A A < - 0 0 19 -4,-1.6 2,-0.5 218,-0.1 218,-0.2 -0.454 67.5-147.9 -70.2 137.2 8.1 -7.2 35.7 36 39 A K E -c 253 0B 140 216,-1.7 218,-2.1 -2,-0.1 2,-0.1 -0.955 15.3-112.1-111.5 140.3 5.5 -5.6 38.0 37 40 A Y E -c 254 0B 88 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.335 30.8-152.8 -63.3 134.4 2.0 -4.4 37.1 38 41 A D > - 0 0 33 216,-2.4 3,-1.6 1,-0.1 -1,-0.1 -0.901 15.8-171.6-117.8 110.7 1.9 -0.6 37.4 39 42 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.676 82.9 71.3 -76.7 -14.4 -1.5 0.9 38.2 40 43 A S T 3 S+ 0 0 90 2,-0.1 2,-0.3 40,-0.0 -2,-0.0 0.526 74.4 107.9 -75.9 -8.4 -0.1 4.4 37.6 41 44 A L < - 0 0 31 -3,-1.6 3,-0.1 213,-0.2 38,-0.0 -0.556 65.1-141.0 -75.9 134.9 -0.0 3.6 33.8 42 45 A K - 0 0 107 37,-1.5 37,-0.5 -2,-0.3 39,-0.1 -0.464 39.6 -79.4 -83.6 163.0 -2.7 5.4 31.8 43 46 A P - 0 0 118 0, 0.0 36,-0.8 0, 0.0 2,-0.3 -0.392 51.2-114.6 -63.8 147.8 -4.4 3.5 29.0 44 47 A L E -D 78 0B 22 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.661 26.8-156.9 -82.3 137.2 -2.2 3.4 25.8 45 48 A S E -D 77 0B 46 32,-3.0 32,-2.4 -2,-0.3 2,-0.7 -0.963 10.5-173.4-119.8 111.9 -3.7 5.3 22.7 46 49 A V E -D 76 0B 32 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.946 7.9-177.0-103.9 107.5 -2.5 4.2 19.3 47 50 A S E +D 75 0B 41 28,-3.0 28,-2.4 -2,-0.7 3,-0.2 -0.785 24.1 143.7-114.3 82.6 -4.1 6.9 16.9 48 51 A Y > + 0 0 3 -2,-0.7 3,-2.0 26,-0.3 130,-0.2 0.346 32.6 106.7-105.4 4.4 -3.1 5.8 13.4 49 52 A D T 3 S+ 0 0 103 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.802 85.0 43.0 -58.5 -34.8 -6.2 6.7 11.3 50 53 A Q T 3 S+ 0 0 132 23,-1.0 -1,-0.3 -3,-0.2 24,-0.2 0.170 83.5 146.4 -93.9 21.5 -4.7 9.7 9.6 51 54 A A < - 0 0 23 -3,-2.0 2,-0.5 22,-0.1 123,-0.1 -0.252 32.5-161.7 -61.2 135.4 -1.3 7.9 8.9 52 55 A T - 0 0 41 16,-0.3 16,-2.7 122,-0.1 2,-0.2 -0.866 4.3-165.8-119.9 96.6 0.4 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 -0.511 9.7 176.6 -73.4 151.9 3.0 6.4 4.5 54 57 A L E - 0 0 75 12,-3.3 118,-2.5 1,-0.4 2,-0.3 0.706 49.7 -11.3-121.3 -44.6 5.3 7.7 1.8 55 58 A R E -EF 66 171B 87 11,-1.0 11,-3.1 117,-0.3 -1,-0.4 -0.978 47.1-132.0-161.8 159.6 8.1 5.4 0.8 56 59 A I E -EF 65 170B 0 114,-2.3 114,-2.2 -2,-0.3 2,-0.4 -0.982 27.1-168.9-130.1 136.4 9.9 2.1 1.6 57 60 A L E -EF 64 169B 38 7,-2.2 7,-2.3 -2,-0.4 2,-0.6 -0.988 22.4-144.3-135.9 129.6 13.7 2.1 1.7 58 61 A N E -E 63 0B 0 110,-3.0 109,-2.6 -2,-0.4 5,-0.2 -0.872 20.7-179.2 -88.0 115.3 16.3 -0.8 1.9 59 62 A N - 0 0 49 3,-2.2 4,-0.1 -2,-0.6 -1,-0.1 0.284 51.8-102.4-105.6 15.8 19.1 0.8 4.0 60 63 A G S S+ 0 0 7 2,-0.4 3,-0.1 166,-0.3 106,-0.1 0.436 117.6 55.3 78.6 3.7 21.5 -2.2 3.9 61 64 A H S S- 0 0 46 1,-0.7 2,-0.2 -58,-0.1 166,-0.1 0.561 124.3 -32.4-128.5 -43.8 20.5 -3.1 7.5 62 65 A A S S- 0 0 6 -5,-0.1 -3,-2.2 31,-0.1 -1,-0.7 -0.817 70.1 -90.4-152.9-168.0 16.7 -3.4 7.3 63 66 A F E -E 58 0B 0 -2,-0.2 2,-0.5 29,-0.2 29,-0.5 -0.989 32.9-152.1-116.5 138.4 13.8 -1.8 5.4 64 67 A N E -E 57 0B 21 -7,-2.3 -7,-2.2 -2,-0.4 2,-0.7 -0.927 9.4-152.2-108.8 130.4 12.0 1.3 6.6 65 68 A V E -EG 56 90B 0 25,-2.7 25,-2.0 -2,-0.5 2,-0.3 -0.914 29.4-150.9 -91.8 119.5 8.5 2.3 5.8 66 69 A E E -EG 55 89B 46 -11,-3.1 -12,-3.3 -2,-0.7 -11,-1.0 -0.684 10.1-158.9-101.3 141.8 8.6 6.1 6.1 67 70 A F E -E 53 0B 10 21,-2.5 2,-0.7 -2,-0.3 -14,-0.2 -0.827 29.0-104.6-117.1 154.9 5.7 8.4 7.1 68 71 A D + 0 0 41 -16,-2.7 -16,-0.3 -2,-0.3 3,-0.3 -0.737 39.8 172.8 -74.4 110.1 4.9 12.0 6.7 69 72 A D + 0 0 42 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 -0.019 44.5 110.1-111.2 26.9 5.6 13.4 10.2 70 73 A S S S+ 0 0 83 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.542 88.5 19.1 -78.1 -12.1 5.1 17.1 9.3 71 74 A Q S S- 0 0 116 -3,-0.3 2,-1.0 3,-0.0 3,-0.4 -0.930 100.4 -81.4-147.2 168.9 1.8 17.1 11.4 72 75 A D S S+ 0 0 87 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.661 76.5 129.9 -74.6 97.9 0.1 15.1 14.1 73 76 A K S S+ 0 0 46 -2,-1.0 -23,-1.0 1,-0.3 2,-0.4 0.594 72.1 21.9-123.0 -41.2 -1.3 12.3 11.8 74 77 A A S S+ 0 0 4 -3,-0.4 13,-3.0 -24,-0.2 -1,-0.3 -0.934 84.5 169.2-135.7 110.2 -0.3 9.0 13.3 75 78 A V E -DH 47 86B 16 -28,-2.4 -28,-3.0 -2,-0.4 2,-0.4 -0.912 30.9-147.7-131.0 157.6 0.5 9.4 17.1 76 79 A L E +DH 46 85B 0 9,-2.7 9,-2.2 -2,-0.3 2,-0.3 -0.969 31.5 157.2-121.5 130.4 1.1 7.3 20.2 77 80 A K E +DH 45 84B 92 -32,-2.4 -32,-3.0 -2,-0.4 7,-0.1 -0.916 34.6 33.0-141.7 170.7 -0.1 8.7 23.6 78 81 A G E > S+D 44 0B 16 5,-0.5 3,-2.3 3,-0.4 -34,-0.3 -0.328 74.0 80.7 81.4-164.3 -0.9 7.4 27.0 79 82 A G T 3 S- 0 0 2 -36,-0.8 -37,-1.5 -37,-0.5 -1,-0.2 -0.368 122.4 -21.3 60.2-130.7 0.6 4.5 28.8 80 83 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.630 114.4 112.3 -82.8 -7.2 3.9 5.6 30.3 81 84 A L < - 0 0 6 -3,-2.3 2,-0.6 -39,-0.1 -3,-0.4 -0.398 56.0-151.1 -84.5 144.8 4.2 8.6 27.9 82 85 A D - 0 0 116 -2,-0.1 2,-0.1 53,-0.1 -1,-0.1 -0.924 69.8 -19.1-105.6 117.2 3.9 12.2 28.7 83 86 A G S S- 0 0 47 -2,-0.6 -5,-0.5 38,-0.1 2,-0.4 -0.418 101.6 -33.7 89.3-154.0 2.5 14.1 25.7 84 87 A T E -H 77 0B 31 -7,-0.1 38,-2.8 -2,-0.1 2,-0.5 -0.863 42.5-164.8-120.0 128.8 2.3 13.1 22.1 85 88 A Y E -HI 76 121B 4 -9,-2.2 -9,-2.7 -2,-0.4 2,-0.4 -0.982 15.8-143.8-116.6 130.2 4.8 11.0 20.0 86 89 A R E -HI 75 120B 36 34,-2.8 34,-2.1 -2,-0.5 2,-0.2 -0.737 17.4-116.8-100.5 137.2 4.5 11.1 16.2 87 90 A L E + I 0 119B 2 -13,-3.0 32,-0.3 -2,-0.4 -13,-0.2 -0.456 36.9 166.0 -71.7 129.4 5.2 8.1 14.0 88 91 A I E - 0 0 38 30,-2.9 -21,-2.5 1,-0.4 2,-0.3 0.722 59.5 -24.7-109.3 -34.7 8.2 8.6 11.7 89 92 A Q E -GI 66 118B 36 29,-1.3 29,-2.9 -23,-0.2 -1,-0.4 -0.985 48.2-143.6-167.1 157.5 8.9 5.0 10.4 90 93 A F E +GI 65 117B 0 -25,-2.0 -25,-2.7 -2,-0.3 2,-0.3 -0.970 21.5 161.5-129.8 163.5 8.7 1.4 11.0 91 94 A H E - I 0 116B 21 25,-1.8 25,-3.0 -2,-0.3 2,-0.3 -0.945 23.1-126.0-161.3 171.7 10.9 -1.5 10.3 92 95 A F E - 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