==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-MAY-97 1H9Q . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.A.LESBURG,D.W.CHRISTIANSON . 255 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11500.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 22.0 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 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 6.7 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 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 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 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 5 A W 0 0 101 0, 0.0 2,-0.2 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0 156.6 7.8 -1.6 11.3 2 6 A G - 0 0 9 5,-2.8 10,-0.1 2,-0.2 58,-0.1 -0.748 360.0 -83.9-168.1-147.1 5.5 -4.5 10.5 3 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.219 83.4 109.3-129.3 8.4 4.5 -7.9 11.8 4 8 A G S > S- 0 0 37 4,-0.1 4,-1.2 1,-0.0 3,-0.4 -0.202 86.8 -87.4 -80.3 178.3 7.2 -10.0 10.3 5 9 A K T 4 S+ 0 0 169 1,-0.2 3,-0.1 2,-0.2 5,-0.1 0.883 124.3 32.0 -54.4 -42.2 10.1 -11.8 12.0 6 10 A H T 4 S+ 0 0 159 1,-0.2 -1,-0.2 4,-0.0 0, 0.0 0.584 129.2 32.1 -99.0 -7.1 12.5 -8.8 11.8 7 11 A N T 4 S+ 0 0 71 -3,-0.4 -5,-2.8 -6,-0.1 -2,-0.2 0.180 91.3 131.6-133.0 17.7 10.2 -5.8 12.1 8 12 A G S >X S- 0 0 0 -4,-1.2 3,-2.4 -5,-0.2 4,-1.0 0.114 77.3 -81.8 -66.0 179.3 7.5 -7.3 14.4 9 13 A P T 34 S+ 0 0 22 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.752 125.0 63.8 -56.8 -23.8 5.8 -6.0 17.5 10 14 A E T 34 S+ 0 0 114 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.625 105.6 45.3 -78.5 -8.8 8.8 -7.2 19.6 11 15 A H T X4 S+ 0 0 49 -3,-2.4 3,-2.4 1,-0.1 4,-0.4 0.653 87.3 90.2-103.2 -21.6 11.1 -4.8 17.8 12 16 A W G >X S+ 0 0 5 -4,-1.0 4,-2.5 1,-0.3 3,-2.0 0.825 72.0 70.2 -44.8 -45.2 8.7 -1.8 18.0 13 17 A H G 34 S+ 0 0 67 -4,-0.5 -1,-0.3 1,-0.3 7,-0.1 0.696 88.9 66.6 -48.3 -26.8 10.1 -0.5 21.3 14 18 A K G <4 S+ 0 0 132 -3,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.844 115.9 24.0 -67.0 -36.8 13.4 0.5 19.5 15 19 A D T <4 S+ 0 0 134 -3,-2.0 -2,-0.2 -4,-0.4 -1,-0.2 0.681 135.1 39.0 -98.1 -20.8 11.7 3.2 17.3 16 20 A F >< - 0 0 58 -4,-2.5 3,-2.0 1,-0.1 -1,-0.2 -0.786 61.5-177.0-133.8 88.5 8.8 3.8 19.8 17 21 A P G > S+ 0 0 101 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.743 78.9 74.3 -55.7 -28.7 9.8 3.6 23.5 18 22 A I G > S+ 0 0 57 1,-0.3 3,-3.1 2,-0.2 -5,-0.1 0.767 74.3 84.6 -59.1 -19.8 6.2 4.1 24.6 19 23 A A G < S+ 0 0 7 -3,-2.0 -1,-0.3 1,-0.3 -6,-0.1 0.713 91.2 47.8 -54.6 -23.7 5.7 0.4 23.5 20 24 A K G < S+ 0 0 147 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.037 96.2 138.6-105.1 24.9 7.0 -0.5 27.0 21 25 A G < - 0 0 13 -3,-3.1 3,-0.5 1,-0.1 -3,-0.1 0.080 69.0-108.8 -67.2 177.5 4.6 2.0 28.5 22 26 A E S S+ 0 0 106 1,-0.2 226,-0.4 225,-0.1 -1,-0.1 0.571 112.6 34.6 -84.6 -12.6 2.4 2.0 31.6 23 27 A R S S+ 0 0 45 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.388 79.5 153.7-141.5 58.7 -0.9 1.8 29.6 24 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.580 32.8-103.7 -88.5 152.1 -0.3 -0.3 26.4 25 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.913 77.9 45.6-127.4 158.0 -3.0 -2.3 24.5 26 30 A P + 0 0 0 0, 0.0 218,-2.4 0, 0.0 2,-0.3 0.537 64.9 174.8 -78.7 177.1 -4.2 -4.8 23.8 27 31 A V - 0 0 1 216,-0.3 77,-1.0 -2,-0.2 2,-0.4 -0.844 36.4-100.8-135.7 170.7 -4.5 -6.6 27.2 28 32 A D E -a 104 0A 36 216,-0.4 2,-0.7 -2,-0.3 77,-0.2 -0.819 33.4-135.7 -94.1 139.2 -6.1 -10.0 28.2 29 33 A I E -a 105 0A 0 75,-2.8 77,-3.4 -2,-0.4 2,-1.0 -0.870 11.5-157.7-101.3 113.0 -9.6 -9.5 29.8 30 34 A D >> - 0 0 63 -2,-0.7 3,-2.2 75,-0.2 4,-1.6 -0.809 2.1-159.8 -89.9 101.2 -9.9 -11.7 32.8 31 35 A T T 34 S+ 0 0 49 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.699 89.1 53.0 -55.2 -22.5 -13.7 -12.0 33.2 32 36 A H T 34 S+ 0 0 163 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.596 113.3 41.3 -91.8 -9.6 -13.3 -13.0 36.9 33 37 A T T <4 S+ 0 0 105 -3,-2.2 2,-0.2 2,-0.1 -2,-0.2 0.571 86.4 109.0-110.2 -13.2 -11.2 -10.0 37.8 34 38 A A S < S- 0 0 21 -4,-1.6 2,-0.4 216,-0.1 218,-0.2 -0.461 70.7-124.5 -65.0 131.1 -13.1 -7.3 35.8 35 39 A K E -c 252 0B 110 216,-2.5 218,-3.2 -2,-0.2 2,-0.7 -0.626 8.4-136.6 -85.1 123.6 -15.0 -5.0 38.1 36 40 A Y E -c 253 0B 120 -2,-0.4 218,-0.2 216,-0.2 216,-0.1 -0.728 23.0-167.8 -75.7 119.4 -18.8 -4.6 37.7 37 41 A D > - 0 0 37 216,-2.1 3,-2.3 -2,-0.7 -1,-0.0 -0.853 11.8-164.7-112.4 99.2 -19.2 -0.8 38.1 38 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.520 83.7 69.6 -64.6 1.5 -23.0 -0.0 38.4 39 43 A S T 3 + 0 0 82 2,-0.1 2,-0.3 40,-0.0 215,-0.1 0.484 69.8 108.9 -95.4 -4.7 -22.2 3.6 37.7 40 44 A L < - 0 0 34 -3,-2.3 3,-0.1 213,-0.2 38,-0.0 -0.599 65.7-138.0 -73.4 129.2 -21.3 3.1 34.0 41 45 A K - 0 0 127 37,-1.3 39,-0.1 -2,-0.3 -2,-0.1 -0.460 29.6 -90.8 -81.7 159.2 -24.0 4.5 31.7 42 46 A P - 0 0 109 0, 0.0 36,-2.1 0, 0.0 2,-0.2 -0.182 48.3 -99.4 -65.9 166.2 -25.1 2.6 28.7 43 47 A L E -D 77 0B 17 34,-0.2 2,-0.5 141,-0.2 34,-0.2 -0.616 26.4-149.2 -84.3 150.8 -23.4 3.3 25.4 44 48 A S E -D 76 0B 53 32,-2.3 32,-1.5 -2,-0.2 2,-0.6 -0.955 15.3-179.3-122.5 107.4 -24.9 5.6 22.8 45 49 A V E +D 75 0B 36 -2,-0.5 2,-0.5 30,-0.2 30,-0.2 -0.945 1.8 179.7-108.0 117.0 -24.0 4.7 19.2 46 50 A S E +D 74 0B 46 28,-2.7 28,-1.9 -2,-0.6 3,-0.2 -0.784 21.9 146.0-119.8 84.7 -25.5 7.1 16.7 47 51 A Y > + 0 0 2 -2,-0.5 3,-1.3 26,-0.2 130,-0.2 0.238 36.9 104.7-103.2 11.0 -24.4 5.9 13.3 48 52 A D T 3 S+ 0 0 96 1,-0.2 -1,-0.1 -3,-0.1 25,-0.1 0.879 83.6 42.6 -63.0 -37.5 -27.5 6.8 11.4 49 53 A Q T 3 S+ 0 0 131 23,-0.8 -1,-0.2 -3,-0.2 24,-0.2 0.198 84.9 148.0 -93.5 17.7 -26.1 9.9 9.6 50 54 A A < - 0 0 21 -3,-1.3 2,-0.7 22,-0.3 123,-0.1 -0.262 33.6-160.2 -59.5 127.2 -22.8 8.1 8.8 51 55 A T - 0 0 49 16,-0.4 16,-2.6 -2,-0.1 2,-0.2 -0.841 5.6-165.2-111.6 96.1 -21.0 9.1 5.7 52 56 A S E +E 66 0B 1 -2,-0.7 121,-0.7 122,-0.3 14,-0.2 -0.541 12.5 172.4 -75.7 146.2 -18.5 6.5 4.6 53 57 A L E - 0 0 74 12,-3.2 118,-1.8 1,-0.3 2,-0.3 0.694 47.1 -2.0-125.3 -35.2 -16.1 7.8 1.9 54 58 A R E -EF 65 170B 86 11,-1.3 11,-2.9 116,-0.3 2,-0.4 -0.998 43.5-139.1-161.6 157.6 -13.2 5.4 1.0 55 59 A I E -EF 64 169B 0 114,-2.7 114,-2.2 -2,-0.3 2,-0.4 -0.990 28.2-176.3-125.2 133.0 -11.4 2.2 1.6 56 60 A L E -EF 63 168B 30 7,-2.4 7,-3.2 -2,-0.4 2,-0.8 -0.992 28.0-142.1-137.0 138.0 -7.7 2.1 1.7 57 61 A N E -E 62 0B 0 110,-3.0 109,-2.7 -2,-0.4 5,-0.2 -0.866 21.9-178.8 -94.9 108.7 -5.0 -0.6 2.0 58 62 A N - 0 0 50 3,-2.2 4,-0.1 -2,-0.8 -1,-0.1 0.184 51.6-101.9 -97.4 19.4 -2.3 1.1 4.1 59 63 A G S S+ 0 0 7 2,-0.3 3,-0.1 166,-0.3 106,-0.1 0.208 118.2 54.8 82.9 -15.5 0.2 -1.7 4.2 60 64 A H S S- 0 0 64 1,-0.5 2,-0.3 -58,-0.1 -1,-0.1 0.590 124.7 -29.4-120.6 -23.0 -0.8 -2.8 7.7 61 65 A A S S- 0 0 5 165,-0.1 -3,-2.2 -5,-0.1 -1,-0.5 -0.926 71.1 -87.5-173.7-178.0 -4.6 -3.3 7.3 62 66 A F E -E 57 0B 0 -2,-0.3 29,-0.5 29,-0.3 2,-0.5 -0.952 38.4-153.7-112.5 134.3 -7.4 -1.9 5.2 63 67 A N E -E 56 0B 15 -7,-3.2 -7,-2.4 -2,-0.5 2,-0.7 -0.938 9.4-156.1-109.7 131.8 -9.2 1.2 6.5 64 68 A V E -EG 55 89B 0 25,-2.5 25,-1.6 -2,-0.5 2,-0.3 -0.936 27.2-151.7-102.0 116.7 -12.7 2.2 5.8 65 69 A E E -EG 54 88B 52 -11,-2.9 -12,-3.2 -2,-0.7 -11,-1.3 -0.733 9.6-157.5 -98.3 144.0 -12.8 6.0 6.3 66 70 A F E -E 52 0B 9 21,-2.5 2,-0.7 -2,-0.3 -14,-0.2 -0.798 29.8-104.5-116.1 153.0 -15.7 8.3 7.3 67 71 A D + 0 0 43 -16,-2.6 -16,-0.4 -2,-0.3 3,-0.3 -0.666 38.0 177.2 -73.2 112.2 -16.4 12.0 6.9 68 72 A D + 0 0 42 -2,-0.7 -1,-0.1 1,-0.2 17,-0.1 0.073 46.0 109.1-107.4 24.7 -15.7 13.4 10.3 69 73 A S S S+ 0 0 78 1,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.577 86.9 19.9 -76.3 -6.4 -16.2 17.1 9.5 70 74 A Q S S- 0 0 110 -3,-0.3 2,-3.0 3,-0.0 3,-0.4 -0.976 97.5 -83.6-154.5 164.7 -19.5 17.1 11.6 71 75 A D S S+ 0 0 84 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.264 78.0 126.9 -71.9 61.9 -21.3 15.2 14.3 72 76 A K S S+ 0 0 56 -2,-3.0 -23,-0.8 1,-0.3 2,-0.6 0.955 74.5 22.8 -83.6 -58.0 -22.7 12.6 11.9 73 77 A A S S+ 0 0 6 -3,-0.4 13,-2.6 -6,-0.3 -1,-0.3 -0.948 86.1 165.3-114.6 108.4 -21.6 9.3 13.4 74 78 A V E -DH 46 85B 11 -28,-1.9 -28,-2.7 -2,-0.6 2,-0.4 -0.849 30.0-153.7-127.0 167.6 -20.9 9.6 17.1 75 79 A L E +DH 45 84B 0 9,-2.1 9,-2.5 -2,-0.3 2,-0.3 -0.966 29.0 145.9-134.1 139.9 -20.3 7.7 20.2 76 80 A K E +D 44 0B 79 -32,-1.5 -32,-2.3 -2,-0.4 7,-0.1 -0.947 35.9 48.3-161.6 177.7 -21.0 9.0 23.7 77 81 A G E > S+D 43 0B 17 5,-0.3 3,-1.9 -2,-0.3 -34,-0.2 -0.371 72.0 83.8 77.3-161.3 -22.2 7.8 27.1 78 82 A G T 3 S- 0 0 1 -36,-2.1 -37,-1.3 1,-0.3 -1,-0.1 -0.514 120.9 -26.5 65.7-130.2 -20.7 4.7 28.7 79 83 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.374 118.4 103.5 -95.7 -0.5 -17.4 5.6 30.4 80 84 A L < - 0 0 11 -3,-1.9 2,-0.4 -39,-0.1 -3,-0.2 -0.440 56.6-153.1 -86.1 162.0 -16.9 8.6 28.1 81 85 A D + 0 0 131 -2,-0.1 2,-0.1 53,-0.1 -3,-0.0 -0.997 65.9 6.5-129.7 128.1 -17.4 12.3 28.6 82 86 A G S S- 0 0 45 -2,-0.4 2,-0.5 38,-0.1 -5,-0.3 -0.261 98.6 -54.1 90.9 177.9 -18.2 14.4 25.5 83 87 A T - 0 0 25 -7,-0.1 38,-2.6 -2,-0.1 2,-0.5 -0.853 43.3-158.2-102.9 129.1 -18.9 13.4 22.0 84 88 A Y E -HI 75 120B 4 -9,-2.5 -9,-2.1 -2,-0.5 2,-0.3 -0.934 12.9-142.5-110.3 126.1 -16.4 11.2 20.0 85 89 A R E -HI 74 119B 42 34,-2.5 34,-2.0 -2,-0.5 2,-0.3 -0.663 15.6-120.7 -90.5 134.0 -16.6 11.4 16.3 86 90 A L E + I 0 118B 2 -13,-2.6 32,-0.2 -2,-0.3 -13,-0.2 -0.557 36.6 164.8 -73.9 131.0 -16.1 8.2 14.1 87 91 A I E - 0 0 33 30,-2.8 -21,-2.5 1,-0.4 2,-0.3 0.676 59.0 -27.0-116.2 -29.1 -13.2 8.6 11.7 88 92 A Q E -GI 65 117B 32 29,-1.2 29,-2.8 -23,-0.3 -1,-0.4 -0.981 46.4-144.3-175.0 164.5 -12.5 5.0 10.5 89 93 A F E +GI 64 116B 0 -25,-1.6 -25,-2.5 -2,-0.3 2,-0.3 -0.961 21.8 161.8-139.5 157.4 -12.7 1.3 11.2 90 94 A H E - I 0 115B 20 25,-1.7 25,-2.9 -2,-0.3 2,-0.3 -0.954 23.4-123.5-160.8 176.8 -10.4 -1.6 10.4 91 95 A F E - I 0 114B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.880 1.0-146.2-129.8 169.6 -9.7 -5.1 11.5 92 96 A H E + I 0 113B 3 21,-1.6 21,-2.3 -2,-0.3 2,-0.3 -0.990 31.7 171.9-132.5 129.9 -6.9 -7.4 12.8 93 97 A W E - I 0 112B 1 -2,-0.4 146,-1.0 19,-0.2 145,-0.6 -0.907 23.0-121.3-140.9 167.1 -7.0 -11.0 11.7 94 98 A G - 0 0 0 17,-1.3 6,-0.1 5,-0.6 3,-0.1 -0.395 24.3-120.3-103.5 176.9 -5.0 -14.3 11.7 95 99 A S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.507 105.9 29.1 -90.3 -7.4 -3.6 -16.7 9.1 96 100 A L S > S- 0 0 112 3,-0.4 3,-1.3 15,-0.1 -2,-0.2 -0.946 91.5-106.3-144.4 163.9 -5.8 -19.3 10.8 97 101 A D T 3 S+ 0 0 74 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.686 109.3 67.5 -69.1 -19.4 -9.2 -19.2 12.8 98 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.528 107.6 31.6 -80.9 -4.3 -7.6 -19.7 16.2 99 103 A Q < + 0 0 51 -3,-1.3 -5,-0.6 12,-0.1 -3,-0.4 -0.980 64.4 96.9-149.2 160.1 -5.9 -16.4 16.2 100 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.030 56.7 103.5 150.4 -34.3 -6.3 -12.9 14.9 101 105 A S - 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