==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-MAR-98 1KOP . COMPND 2 MOLECULE: CARBONIC ANHYDRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR S.HUANG,Y.XUE,L.CHIRICA,S.LINDSKOG,B.-H.JONSSON . 446 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 0 0.0 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 . 47 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 7.6 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 4 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 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 0 PARALLEL BRIDGES PER LADDER . 6 0 2 8 0 0 4 2 0 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 2 0 0 0 0 0 0 0 0 0 2 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 0 160 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 172.0 7.7 3.8 35.0 2 5 A T - 0 0 39 1,-0.1 2,-0.1 374,-0.0 17,-0.1 -0.338 360.0-101.8 -60.9 136.7 9.4 4.3 38.3 3 6 A H + 0 0 131 15,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.347 50.6 162.2 -63.8 137.7 13.0 2.9 38.2 4 7 A W + 0 0 14 -3,-0.1 2,-0.2 -2,-0.1 7,-0.2 -0.973 1.6 152.1-151.4 156.2 13.7 -0.5 39.7 5 8 A G - 0 0 12 5,-2.4 10,-0.1 -2,-0.3 3,-0.1 -0.750 51.7 -93.9-158.8-154.4 16.4 -3.0 39.4 6 9 A Y S S+ 0 0 31 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 0.453 98.6 50.6-119.5 -8.9 18.4 -5.8 41.1 7 10 A T S > S+ 0 0 99 4,-0.1 3,-0.8 3,-0.1 2,-0.1 -0.863 96.0 9.0-129.0 161.5 21.3 -3.8 42.5 8 11 A G G > S- 0 0 58 -2,-0.3 3,-1.0 1,-0.2 -3,-0.1 -0.338 117.0 -26.6 73.9-151.6 21.6 -0.6 44.6 9 12 A H G 3 S+ 0 0 171 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.0 0.603 134.9 59.4 -76.4 -13.3 18.8 1.2 46.3 10 13 A D G < S+ 0 0 40 -3,-0.8 -5,-2.4 -6,-0.1 -1,-0.2 0.183 78.8 133.9-101.2 17.4 16.2 -0.1 43.8 11 14 A S S X> S- 0 0 18 -3,-1.0 3,-2.6 -7,-0.2 4,-0.5 -0.099 76.1 -89.2 -62.9 164.3 16.9 -3.8 44.5 12 15 A P G >4 S+ 0 0 24 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.744 123.2 64.1 -45.7 -34.3 14.0 -6.4 45.1 13 16 A E G 34 S+ 0 0 174 1,-0.2 3,-0.1 2,-0.1 -2,-0.1 0.737 109.4 40.0 -66.2 -21.2 13.9 -5.7 48.8 14 17 A S G X> S+ 0 0 30 -3,-2.6 3,-1.9 1,-0.1 4,-0.6 0.415 81.4 102.8-108.2 -1.3 12.8 -2.1 48.1 15 18 A W H XX S+ 0 0 0 -3,-0.8 3,-1.6 -4,-0.5 4,-0.7 0.889 79.5 56.0 -48.8 -47.8 10.4 -2.6 45.2 16 19 A G H 34 S+ 0 0 1 -4,-0.4 -1,-0.3 1,-0.3 6,-0.1 0.663 108.8 49.0 -61.7 -16.1 7.3 -2.2 47.4 17 20 A N H <4 S+ 0 0 44 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.455 93.3 76.0-102.0 -4.2 8.6 1.2 48.6 18 21 A L H << S- 0 0 23 -3,-1.6 2,-0.3 -4,-0.6 -2,-0.2 0.843 111.9 -10.1 -76.4 -37.3 9.4 2.6 45.1 19 22 A S >< - 0 0 10 -4,-0.7 3,-1.5 -17,-0.1 -1,-0.3 -0.972 64.4-113.8-159.2 152.4 5.8 3.4 44.0 20 23 A E G > S+ 0 0 116 257,-0.4 3,-1.2 -2,-0.3 4,-0.2 0.804 114.7 62.2 -61.2 -26.7 2.3 2.7 45.3 21 24 A E G 3 S+ 0 0 116 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.702 100.3 54.0 -72.5 -18.3 1.6 0.5 42.3 22 25 A F G X S+ 0 0 4 -3,-1.5 3,-2.3 -7,-0.2 4,-0.4 0.370 74.5 111.7 -94.7 3.7 4.4 -1.9 43.3 23 26 A R T X> + 0 0 90 -3,-1.2 4,-1.9 1,-0.3 3,-1.2 0.766 65.9 63.8 -50.1 -33.8 3.0 -2.4 46.8 24 27 A L H 3> S+ 0 0 60 -3,-0.3 4,-2.2 153,-0.3 -1,-0.3 0.740 86.8 73.7 -66.0 -20.9 2.0 -6.1 46.2 25 28 A a H <4 S+ 0 0 8 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.848 112.9 24.7 -60.5 -32.0 5.8 -6.9 45.8 26 29 A S H <4 S+ 0 0 60 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.716 130.6 39.9-104.3 -26.7 6.1 -6.5 49.5 27 30 A T H < S+ 0 0 71 -4,-1.9 -3,-0.2 -11,-0.0 -2,-0.2 0.606 85.3 112.5-100.4 -13.2 2.6 -7.2 50.8 28 31 A G < - 0 0 15 -4,-2.2 3,-0.3 -5,-0.2 144,-0.0 -0.292 46.7-164.0 -63.7 144.4 1.6 -10.1 48.6 29 32 A K S S+ 0 0 136 1,-0.2 189,-0.4 142,-0.1 -1,-0.1 0.360 85.8 53.4-106.8 -0.7 1.1 -13.6 50.1 30 33 A N S S+ 0 0 59 187,-0.1 151,-0.2 188,-0.1 -1,-0.2 -0.373 80.3 153.1-131.8 53.9 1.2 -15.5 46.8 31 34 A Q - 0 0 3 184,-0.4 183,-0.2 -3,-0.3 143,-0.1 -0.466 32.3-103.5 -89.6 154.9 4.5 -14.2 45.3 32 35 A S S S+ 0 0 0 141,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.860 77.3 50.2-118.1 156.7 6.9 -15.8 42.9 33 36 A P + 0 0 0 0, 0.0 181,-3.1 0, 0.0 2,-0.3 0.572 66.7 178.6 -82.7 178.9 9.6 -17.2 42.5 34 37 A V - 0 0 0 179,-0.3 63,-2.1 -2,-0.2 2,-0.7 -0.917 35.3-114.2-140.0 164.9 9.7 -20.0 45.1 35 38 A N E -a 97 0A 45 179,-0.5 2,-0.9 -2,-0.3 63,-0.2 -0.910 32.2-143.5-101.8 108.1 11.9 -22.8 46.2 36 39 A I E +a 98 0A 3 61,-3.0 63,-2.7 -2,-0.7 3,-0.1 -0.658 46.6 137.2 -77.1 104.7 10.1 -26.1 45.4 37 40 A T + 0 0 71 -2,-0.9 2,-0.3 1,-0.4 -1,-0.2 0.751 62.1 31.4-111.0 -66.4 10.8 -28.5 48.2 38 41 A E + 0 0 150 2,-0.0 183,-0.4 184,-0.0 -1,-0.4 -0.742 70.0 177.9 -99.1 144.0 7.7 -30.3 49.2 39 42 A T - 0 0 46 -2,-0.3 2,-0.5 -3,-0.1 183,-0.2 -0.930 29.0-123.3-140.4 164.4 5.0 -31.2 46.8 40 43 A V B -c 222 0B 77 181,-2.6 183,-2.0 -2,-0.3 2,-0.5 -0.950 30.1-127.6-110.6 125.9 1.6 -33.0 46.5 41 44 A S + 0 0 112 -2,-0.5 2,-0.3 181,-0.2 181,-0.1 -0.651 44.9 159.9 -74.3 123.1 1.5 -35.8 44.0 42 45 A G - 0 0 31 181,-2.8 2,-1.3 -2,-0.5 -2,-0.0 -0.921 51.3 -99.6-143.1 168.5 -1.5 -35.2 41.7 43 46 A K - 0 0 216 -2,-0.3 -2,-0.0 179,-0.0 179,-0.0 -0.712 47.8-170.4 -89.6 86.7 -3.1 -36.0 38.4 44 47 A L - 0 0 48 -2,-1.3 2,-0.1 122,-0.1 122,-0.0 -0.545 24.4-108.8 -81.0 143.6 -2.2 -32.9 36.4 45 48 A P - 0 0 48 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.405 39.5-100.1 -70.4 148.5 -3.8 -32.3 33.0 46 49 A A - 0 0 90 -2,-0.1 33,-0.6 1,-0.1 2,-0.4 -0.336 29.6-127.6 -69.8 147.8 -1.6 -32.6 29.9 47 50 A I E -D 78 0B 18 117,-0.2 2,-0.5 31,-0.1 31,-0.2 -0.831 18.1-160.7 -96.8 133.6 -0.1 -29.5 28.2 48 51 A K E -D 77 0B 129 29,-2.6 29,-3.3 -2,-0.4 2,-0.4 -0.967 7.5-165.0-118.0 116.5 -0.7 -29.1 24.5 49 52 A V E +D 76 0B 45 -2,-0.5 2,-0.3 27,-0.2 27,-0.2 -0.856 15.1 179.4-106.6 135.5 1.7 -26.7 22.6 50 53 A N E +D 75 0B 102 25,-3.1 25,-2.1 -2,-0.4 2,-0.3 -0.718 22.7 156.5-132.1 77.4 1.1 -25.4 19.1 51 54 A Y - 0 0 18 -2,-0.3 23,-0.1 23,-0.2 104,-0.1 -0.709 15.4-175.7 -99.1 158.0 4.0 -23.1 18.4 52 55 A K - 0 0 94 -2,-0.3 104,-0.4 102,-0.2 102,-0.1 -0.983 40.9 -75.8-152.0 157.0 5.1 -22.2 14.9 53 56 A P + 0 0 78 0, 0.0 2,-0.3 0, 0.0 102,-0.3 -0.387 64.5 175.9 -57.6 121.3 8.0 -20.3 13.1 54 57 A S B -O 154 0C 19 100,-2.4 100,-2.7 -2,-0.1 2,-0.7 -0.887 39.4-102.3-130.6 162.7 7.0 -16.7 13.6 55 58 A M + 0 0 120 -2,-0.3 16,-0.3 98,-0.2 2,-0.3 -0.759 55.1 163.0 -85.4 114.1 8.3 -13.2 12.9 56 59 A V - 0 0 3 -2,-0.7 94,-1.9 96,-0.4 2,-0.4 -0.824 30.6-138.2-128.0 167.5 9.6 -11.9 16.2 57 60 A D E -EF 68 149B 10 11,-1.3 11,-2.4 -2,-0.3 2,-0.5 -0.974 15.4-133.7-128.9 142.4 11.9 -9.2 17.5 58 61 A V E -EF 67 148B 0 90,-2.8 90,-3.3 -2,-0.4 2,-0.4 -0.843 27.1-170.6 -97.3 133.0 14.6 -9.4 20.2 59 62 A E E -EF 66 147B 54 7,-3.2 7,-3.1 -2,-0.5 2,-0.6 -0.958 25.4-156.9-131.4 143.7 14.7 -6.7 22.8 60 63 A N E +EF 65 146B 5 86,-3.1 86,-1.5 -2,-0.4 5,-0.2 -0.967 18.5 172.6-113.0 104.5 16.9 -5.5 25.6 61 64 A N - 0 0 52 3,-1.6 4,-0.1 -2,-0.6 -1,-0.1 0.212 57.5-103.0 -99.4 15.0 14.7 -3.6 28.0 62 65 A G S S+ 0 0 40 2,-0.4 3,-0.1 84,-0.1 -2,-0.0 0.294 117.2 63.6 83.3 -10.2 17.3 -3.2 30.7 63 66 A H S S- 0 0 36 1,-0.4 2,-0.3 -58,-0.1 142,-0.1 0.599 117.2 -27.7-115.5 -23.3 15.7 -5.9 32.8 64 67 A T - 0 0 8 140,-0.1 -3,-1.6 27,-0.1 2,-0.6 -0.956 66.7 -87.6-174.8 177.6 16.1 -8.9 30.5 65 68 A I E -E 60 0B 0 -2,-0.3 25,-0.8 25,-0.3 2,-0.4 -0.969 51.6-169.3-106.4 117.9 16.4 -10.0 26.9 66 69 A Q E -EG 59 89B 28 -7,-3.1 -7,-3.2 -2,-0.6 2,-0.6 -0.910 22.0-150.1-117.6 140.4 12.9 -10.5 25.6 67 70 A V E -EG 58 88B 0 21,-3.2 21,-1.7 -2,-0.4 2,-0.3 -0.944 24.7-154.5-108.0 113.0 11.6 -12.1 22.4 68 71 A N E -EG 57 87B 29 -11,-2.4 -11,-1.3 -2,-0.6 19,-0.2 -0.719 11.5-151.7 -95.1 140.6 8.3 -10.4 21.5 69 72 A Y - 0 0 8 17,-2.4 -13,-0.1 -2,-0.3 5,-0.0 -0.905 7.5-173.0-111.2 102.4 5.4 -11.9 19.4 70 73 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.769 73.4 41.3 -63.4 -27.1 3.5 -9.1 17.6 71 74 A E S S- 0 0 154 -16,-0.3 3,-0.3 1,-0.1 -17,-0.0 -0.877 80.8-122.8-125.6 154.0 0.9 -11.6 16.4 72 75 A G + 0 0 33 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.122 64.8 103.4 -75.6-162.9 -1.0 -14.5 18.0 73 76 A G + 0 0 35 1,-0.2 2,-0.8 -19,-0.0 -1,-0.2 0.096 58.2 98.1 111.9 -26.3 -1.0 -18.1 16.6 74 77 A N + 0 0 0 11,-0.3 11,-3.0 -3,-0.3 2,-0.3 -0.896 59.1 174.3 -99.1 110.4 1.5 -19.6 19.1 75 78 A T E -DH 50 84B 27 -25,-2.1 -25,-3.1 -2,-0.8 2,-0.4 -0.871 33.1-156.8-126.5 158.2 -0.7 -21.3 21.7 76 79 A L E -DH 49 83B 0 7,-2.6 7,-3.3 -2,-0.3 2,-0.5 -0.997 16.6-162.7-129.5 124.5 -0.6 -23.5 24.8 77 80 A T E +DH 48 82B 20 -29,-3.3 -29,-2.6 -2,-0.4 2,-0.4 -0.956 15.7 164.3-115.6 127.5 -3.7 -25.5 25.7 78 81 A V E > -DH 47 81B 16 3,-2.3 3,-1.3 -2,-0.5 -31,-0.1 -0.962 67.7 -9.6-146.1 122.8 -4.3 -26.9 29.2 79 82 A N T 3 S- 0 0 120 -33,-0.6 3,-0.1 -2,-0.4 -1,-0.1 0.891 128.4 -51.3 59.6 44.5 -7.5 -28.3 30.7 80 83 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.108 115.6 107.8 85.7 -23.6 -9.7 -26.9 27.9 81 84 A R E < -H 78 0B 146 -3,-1.3 -3,-2.3 32,-0.0 2,-0.5 -0.686 56.7-146.0 -94.0 143.8 -8.4 -23.4 28.0 82 85 A T E -H 77 0B 53 -2,-0.3 32,-0.5 -5,-0.2 2,-0.4 -0.919 10.9-167.1-111.8 128.6 -6.1 -21.8 25.3 83 86 A Y E -H 76 0B 32 -7,-3.3 -7,-2.6 -2,-0.5 2,-0.5 -0.923 14.5-136.8-115.0 139.3 -3.4 -19.3 26.1 84 87 A T E -HI 75 112B 41 28,-2.6 28,-1.7 -2,-0.4 2,-0.4 -0.818 20.4-121.2 -99.2 130.3 -1.5 -17.2 23.5 85 88 A L E + I 0 111B 1 -11,-3.0 -11,-0.3 -2,-0.5 26,-0.2 -0.530 32.8 172.8 -69.2 120.3 2.2 -16.7 23.8 86 89 A K E - 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0 0 63 -2,-0.5 -5,-0.1 -5,-0.2 -7,-0.1 -0.787 14.2-143.6 -93.1 134.7 19.7 -22.5 41.7 103 106 A F - 0 0 1 -7,-0.5 -9,-3.0 -2,-0.4 23,-0.2 -0.682 21.1-114.7 -99.1 154.3 20.1 -23.1 37.9 104 107 A P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 22,-0.1 0.825 95.4 0.4 -53.2 -37.1 22.4 -21.2 35.5 105 108 A M E - J 0 125B 0 20,-1.0 20,-2.4 -13,-0.2 2,-0.3 -0.988 58.2-159.6-153.6 158.4 19.4 -19.8 33.6 106 109 A E E -IJ 91 124B 0 -15,-1.9 -15,-2.0 -2,-0.3 2,-0.4 -0.993 10.5-151.4-143.0 134.1 15.6 -19.8 33.5 107 110 A A E -IJ 90 123B 0 16,-2.7 16,-1.9 -2,-0.3 2,-0.5 -0.869 5.3-156.7-107.6 140.4 13.3 -19.0 30.6 108 111 A H E -IJ 89 122B 3 -19,-2.8 -19,-1.7 -2,-0.4 2,-0.8 -0.965 1.9-163.4-120.9 114.5 9.8 -17.6 31.1 109 112 A F E -IJ 88 121B 0 12,-3.0 12,-2.2 -2,-0.5 2,-0.5 -0.871 18.2-152.9 -97.3 103.7 7.2 -18.1 28.3 110 113 A V E +IJ 87 120B 20 -23,-2.5 -24,-3.0 -2,-0.8 -23,-1.3 -0.712 17.6 178.6 -86.2 121.8 4.4 -15.6 29.1 111 114 A H E -IJ 85 119B 0 8,-3.0 8,-2.0 -2,-0.5 2,-0.4 -0.814 14.1-161.5-120.1 159.6 0.9 -16.4 27.9 112 115 A L E -IJ 84 118B 57 -28,-1.7 -28,-2.6 -2,-0.3 2,-0.1 -0.999 11.6-144.0-140.3 134.2 -2.5 -14.7 28.2 113 116 A D > - 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