==== 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 30-JAN-02 1KWR . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRUENEBERG,M.T.STUBBS . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.3 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 . 56 21.7 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 . 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 1 0 0 1 0 1 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 3 A H 0 0 237 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-146.3 13.9 -0.9 8.3 2 4 A H - 0 0 94 1,-0.2 12,-0.0 15,-0.0 0, 0.0 -0.472 360.0 -73.9 -90.8 163.2 10.4 0.2 9.5 3 5 A W + 0 0 44 -2,-0.1 2,-0.3 11,-0.1 7,-0.2 0.173 60.1 131.4 -47.0 159.8 7.8 -1.6 11.6 4 6 A G - 0 0 8 5,-1.8 10,-0.1 2,-0.2 -1,-0.1 -0.895 67.2 -85.9-178.4-154.5 5.6 -4.4 10.4 5 7 A Y S S+ 0 0 37 -2,-0.3 5,-0.2 5,-0.2 237,-0.1 0.119 83.9 117.0-125.6 19.8 4.5 -7.7 11.6 6 8 A G S >> S- 0 0 36 1,-0.1 4,-1.8 4,-0.1 3,-0.9 -0.305 81.9-100.1 -84.9 169.4 7.5 -9.6 10.2 7 9 A K T 34 S+ 0 0 177 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.863 122.1 38.9 -56.4 -36.6 10.2 -11.6 12.0 8 10 A H T 34 S+ 0 0 162 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.452 130.8 23.7 -97.5 -1.0 12.6 -8.6 11.7 9 11 A N T <4 S+ 0 0 50 -3,-0.9 -5,-1.8 -6,-0.0 -2,-0.2 0.228 92.5 124.9-146.6 15.2 10.3 -5.7 12.3 10 12 A G S >X S- 0 0 5 -4,-1.8 3,-2.8 -5,-0.2 4,-0.7 0.001 81.2 -70.6 -71.8-179.1 7.5 -7.1 14.3 11 13 A P T 34 S+ 0 0 27 0, 0.0 4,-0.4 0, 0.0 3,-0.4 0.700 127.6 62.4 -43.5 -35.0 6.0 -6.0 17.7 12 14 A E T 34 S+ 0 0 137 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.710 107.8 44.9 -70.9 -14.3 9.1 -7.2 19.6 13 15 A H T X4 S+ 0 0 57 -3,-2.8 3,-2.0 1,-0.1 4,-0.4 0.615 87.1 90.1-101.0 -18.2 11.2 -4.7 17.7 14 16 A W G >X S+ 0 0 5 -4,-0.7 4,-2.2 -3,-0.4 3,-1.0 0.764 72.8 70.1 -51.4 -34.1 8.9 -1.7 17.9 15 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.625 87.2 67.9 -62.1 -16.0 10.4 -0.4 21.2 16 18 A K G <4 S+ 0 0 131 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.867 116.3 21.5 -75.1 -35.1 13.6 0.6 19.4 17 19 A D T <4 S+ 0 0 105 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.639 135.4 40.0-101.2 -23.7 12.0 3.4 17.3 18 20 A F >< - 0 0 48 -4,-2.2 3,-2.5 1,-0.1 -1,-0.2 -0.699 64.7-177.2-129.7 80.8 9.1 3.9 19.6 19 21 A P G > S+ 0 0 101 0, 0.0 3,-1.4 0, 0.0 -4,-0.1 0.637 76.7 77.4 -51.3 -18.8 10.2 3.6 23.3 20 22 A I G > + 0 0 57 1,-0.3 3,-1.4 179,-0.2 -5,-0.1 0.568 69.1 88.7 -71.8 -5.1 6.6 4.0 24.4 21 23 A A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.795 90.0 46.5 -61.4 -27.4 6.1 0.4 23.4 22 24 A K G < S+ 0 0 138 -3,-1.4 -1,-0.3 -4,-0.1 -2,-0.1 -0.302 94.0 128.9-109.0 45.5 7.2 -0.5 27.0 23 25 A G S < S- 0 0 15 -3,-1.4 3,-0.3 1,-0.0 -3,-0.0 0.019 70.5-100.7 -85.4-162.5 4.9 2.1 28.6 24 26 A E S S+ 0 0 120 1,-0.2 226,-0.3 225,-0.1 2,-0.1 0.651 112.1 34.9 -97.0 -28.1 2.4 2.0 31.4 25 27 A R S S+ 0 0 48 224,-0.1 2,-0.3 168,-0.1 -1,-0.2 -0.561 80.2 153.6-129.0 67.3 -0.9 1.9 29.5 26 28 A Q - 0 0 4 221,-0.4 220,-0.2 -3,-0.3 170,-0.1 -0.701 33.7-102.9 -95.7 147.0 -0.1 -0.1 26.4 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.3 -2,-0.0 -0.891 76.3 42.4-120.7 160.8 -2.7 -2.1 24.4 28 30 A P + 0 0 0 0, 0.0 218,-3.9 0, 0.0 2,-0.3 0.572 64.9 174.7 -87.6 174.9 -3.9 -4.6 23.7 29 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.5 -0.826 37.0 -98.2-135.1 170.1 -4.3 -6.6 26.9 30 32 A D E -a 106 0A 39 216,-0.5 2,-0.7 -2,-0.3 77,-0.2 -0.808 35.8-138.6 -90.2 127.1 -5.8 -9.9 28.0 31 33 A I E -a 107 0A 0 75,-3.3 77,-2.9 -2,-0.5 2,-1.0 -0.798 10.3-157.4 -92.9 112.2 -9.2 -9.4 29.6 32 34 A D >> - 0 0 59 -2,-0.7 4,-1.3 75,-0.2 3,-1.0 -0.795 2.2-162.6 -90.6 100.7 -9.6 -11.5 32.7 33 35 A T T 34 S+ 0 0 42 -2,-1.0 -1,-0.2 1,-0.2 3,-0.2 0.808 87.4 48.7 -51.9 -36.9 -13.4 -11.8 33.1 34 36 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.733 114.3 45.6 -79.7 -21.4 -13.2 -12.9 36.7 35 37 A T T <4 S+ 0 0 103 -3,-1.0 -2,-0.2 2,-0.1 -1,-0.2 0.534 88.3 104.3 -97.7 -9.7 -10.9 -10.1 37.7 36 38 A A S < S- 0 0 18 -4,-1.3 2,-0.5 -3,-0.2 218,-0.2 -0.505 73.0-124.2 -73.7 139.8 -12.8 -7.3 35.9 37 39 A K E -c 254 0B 114 216,-2.0 218,-3.0 -2,-0.2 2,-0.4 -0.754 11.7-130.0 -93.5 127.1 -14.8 -5.1 38.2 38 40 A Y E -c 255 0B 83 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.606 25.5-166.7 -71.9 124.4 -18.5 -4.6 37.7 39 41 A D > - 0 0 32 216,-2.7 3,-1.1 -2,-0.4 -1,-0.0 -0.938 15.0-173.3-119.7 106.5 -19.1 -0.8 37.8 40 42 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 216,-0.1 0.616 81.9 69.1 -71.8 -11.9 -22.8 0.2 38.1 41 43 A S T 3 S+ 0 0 83 2,-0.1 2,-0.5 40,-0.0 215,-0.1 0.256 75.2 106.4 -89.4 8.3 -21.9 3.9 37.6 42 44 A L < - 0 0 27 -3,-1.1 3,-0.1 213,-0.1 38,-0.0 -0.806 67.8-139.6 -88.3 129.0 -21.0 3.2 34.0 43 45 A K - 0 0 126 37,-1.4 39,-0.1 -2,-0.5 3,-0.1 -0.414 28.3 -91.3 -84.8 161.7 -23.7 4.5 31.6 44 46 A P - 0 0 112 0, 0.0 36,-2.1 0, 0.0 2,-0.2 -0.321 48.1 -99.6 -67.4 163.4 -24.8 2.5 28.6 45 47 A L E -D 79 0B 14 141,-0.2 2,-0.5 34,-0.2 34,-0.2 -0.500 28.9-152.1 -81.9 152.5 -23.0 3.1 25.3 46 48 A S E -D 78 0B 51 32,-2.1 32,-1.9 -2,-0.2 2,-0.6 -0.930 12.9-177.1-131.8 103.9 -24.7 5.4 22.8 47 49 A V E -D 77 0B 34 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.925 1.7-177.3-103.9 114.1 -23.8 4.6 19.2 48 50 A S E +D 76 0B 30 28,-2.5 28,-2.1 -2,-0.6 3,-0.2 -0.801 23.9 144.7-117.0 88.9 -25.3 7.1 16.8 49 51 A Y > + 0 0 3 -2,-0.6 3,-1.4 26,-0.2 130,-0.2 0.169 34.7 108.9-108.1 14.9 -24.4 5.9 13.3 50 52 A D T 3 S+ 0 0 97 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.729 86.0 39.9 -66.4 -22.4 -27.6 6.9 11.4 51 53 A Q T 3 S+ 0 0 118 23,-0.7 -1,-0.3 -3,-0.2 24,-0.2 0.134 85.3 148.2-112.3 20.8 -25.9 9.8 9.6 52 54 A A < - 0 0 23 -3,-1.4 2,-0.5 22,-0.2 123,-0.1 -0.263 30.5-160.9 -59.5 136.4 -22.6 8.0 8.9 53 55 A T - 0 0 46 16,-0.3 16,-2.2 122,-0.1 2,-0.3 -0.908 2.2-165.5-126.6 103.0 -20.8 8.9 5.7 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.2 -0.634 12.6 170.7 -83.3 145.4 -18.2 6.5 4.3 55 57 A L E + 0 0 79 12,-2.4 118,-1.7 1,-0.4 2,-0.3 0.665 53.3 3.6-123.0 -39.2 -15.9 7.9 1.7 56 58 A R E -EF 67 172B 82 11,-1.0 11,-2.4 116,-0.3 2,-0.4 -0.986 45.4-142.8-154.1 158.6 -13.1 5.6 0.9 57 59 A I E -EF 66 171B 0 114,-2.5 114,-1.7 -2,-0.3 2,-0.3 -0.993 29.7-175.3-124.3 133.7 -11.5 2.2 1.5 58 60 A L E -EF 65 170B 29 7,-2.9 7,-2.2 -2,-0.4 2,-0.7 -0.974 29.3-144.9-136.2 145.2 -7.7 2.0 1.6 59 61 A N E +E 64 0B 0 110,-2.8 109,-2.7 -2,-0.3 5,-0.2 -0.924 21.8 179.0-105.0 105.8 -4.9 -0.5 1.9 60 62 A N - 0 0 47 3,-2.0 4,-0.1 -2,-0.7 -1,-0.1 0.342 54.3 -98.6 -91.3 6.5 -2.2 1.3 4.0 61 63 A G S S+ 0 0 4 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.221 118.8 54.2 98.1 -16.5 0.3 -1.6 4.1 62 64 A H S S- 0 0 48 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.600 123.8 -32.5-121.5 -25.1 -0.7 -2.7 7.5 63 65 A A S S- 0 0 6 165,-0.1 -3,-2.0 164,-0.1 -1,-0.5 -0.935 70.2 -85.8-174.8-175.5 -4.5 -3.2 7.2 64 66 A F E -E 59 0B 0 -2,-0.3 29,-0.5 -5,-0.2 2,-0.4 -0.961 37.9-159.8-117.5 126.8 -7.4 -1.8 5.2 65 67 A N E -E 58 0B 15 -7,-2.2 -7,-2.9 -2,-0.5 2,-0.6 -0.842 12.0-151.7-105.1 148.2 -9.2 1.3 6.6 66 68 A V E -EG 57 91B 0 25,-2.3 25,-1.8 -2,-0.4 2,-0.2 -0.984 26.1-152.1-114.2 115.4 -12.7 2.5 5.7 67 69 A E E -EG 56 90B 54 -11,-2.4 -12,-2.4 -2,-0.6 -11,-1.0 -0.637 8.4-158.9 -94.4 152.1 -12.6 6.3 6.2 68 70 A F E -E 54 0B 8 21,-2.7 2,-0.8 -14,-0.2 -14,-0.2 -0.831 30.3 -98.7-125.2 159.1 -15.6 8.5 7.2 69 71 A D + 0 0 37 -16,-2.2 3,-0.3 -2,-0.3 6,-0.3 -0.745 39.0 174.4 -79.3 113.4 -16.4 12.2 6.9 70 72 A D + 0 0 42 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.070 45.8 109.4-110.8 32.6 -15.6 13.6 10.3 71 73 A S S S+ 0 0 75 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.597 89.1 18.5 -81.2 -11.5 -16.2 17.3 9.4 72 74 A Q S S- 0 0 111 -3,-0.3 2,-2.4 3,-0.0 3,-0.4 -0.930 99.3 -83.0-148.4 170.7 -19.4 17.2 11.5 73 75 A D S S+ 0 0 81 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.331 77.4 129.7 -77.7 60.4 -21.0 15.2 14.2 74 76 A K S S+ 0 0 53 -2,-2.4 -23,-0.7 1,-0.3 2,-0.7 0.982 73.9 22.2 -77.5 -65.8 -22.5 12.6 11.8 75 77 A A S S+ 0 0 5 -3,-0.4 13,-2.8 -6,-0.3 -1,-0.3 -0.935 87.4 168.2-106.7 111.6 -21.4 9.3 13.2 76 78 A V E -DH 48 87B 8 -28,-2.1 -28,-2.5 -2,-0.7 2,-0.4 -0.822 28.3-152.2-126.6 163.2 -20.7 9.7 17.0 77 79 A L E +DH 47 86B 0 9,-2.0 9,-1.6 -2,-0.3 2,-0.3 -0.986 28.2 148.8-132.5 136.2 -20.1 7.7 20.1 78 80 A K E +D 46 0B 74 -32,-1.9 -32,-2.1 -2,-0.4 7,-0.1 -0.934 32.8 43.8-154.5 179.0 -20.9 8.8 23.6 79 81 A G E > S+D 45 0B 21 5,-0.3 3,-2.7 -2,-0.3 -34,-0.2 -0.365 72.9 78.9 78.3-157.8 -22.0 7.6 27.1 80 82 A G T 3 S- 0 0 3 -36,-2.1 -37,-1.4 1,-0.3 -1,-0.1 -0.370 122.8 -18.9 57.9-122.2 -20.5 4.6 28.8 81 83 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.263 117.6 107.6 -97.4 8.2 -17.1 5.6 30.2 82 84 A L < - 0 0 13 -3,-2.7 2,-0.5 -39,-0.1 -3,-0.2 -0.593 54.5-155.5 -95.8 151.6 -16.9 8.7 28.0 83 85 A D - 0 0 128 -2,-0.2 -3,-0.0 -5,-0.1 2,-0.0 -0.981 67.9 -6.9-119.7 125.6 -17.3 12.4 28.6 84 86 A G S S- 0 0 52 -2,-0.5 -5,-0.3 38,-0.1 2,-0.2 -0.215 99.9 -47.5 84.0-175.6 -18.4 14.5 25.7 85 87 A T - 0 0 30 -7,-0.1 38,-2.1 -9,-0.0 2,-0.4 -0.644 41.9-158.5-101.6 152.7 -18.8 13.4 22.1 86 88 A Y E -HI 77 122B 5 -9,-1.6 -9,-2.0 -2,-0.2 2,-0.4 -0.996 12.4-139.9-132.0 127.9 -16.4 11.3 19.8 87 89 A R E -HI 76 121B 44 34,-2.4 34,-1.8 -2,-0.4 2,-0.3 -0.749 17.6-124.2 -91.9 136.4 -16.5 11.3 16.0 88 90 A L E + I 0 120B 2 -13,-2.8 -13,-0.2 -2,-0.4 32,-0.2 -0.552 35.2 168.0 -76.4 124.5 -16.0 8.2 14.0 89 91 A I E - 0 0 33 30,-2.6 -21,-2.7 1,-0.4 2,-0.3 0.723 57.9 -26.7-106.1 -39.3 -13.1 8.7 11.7 90 92 A Q E -GI 67 119B 37 29,-1.2 29,-2.2 -23,-0.2 -1,-0.4 -0.990 47.1-140.4-170.2 162.8 -12.4 5.2 10.4 91 93 A F E +GI 66 118B 0 -25,-1.8 -25,-2.3 -2,-0.3 2,-0.3 -0.972 21.4 164.3-135.3 150.0 -12.5 1.4 11.0 92 94 A H E - I 0 117B 24 25,-1.6 25,-2.6 -2,-0.3 2,-0.3 -0.930 23.2-122.8-151.7 173.6 -10.2 -1.4 10.3 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 23,-0.2 -0.803 2.0-152.7-124.3 166.2 -9.5 -5.0 11.2 94 96 A H E + I 0 115B 3 21,-1.3 21,-2.3 -2,-0.3 2,-0.3 -0.991 30.9 167.9-134.3 127.3 -6.8 -7.2 12.6 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.1 19,-0.3 145,-0.3 -0.898 24.2-123.4-139.6 173.8 -6.8 -10.8 11.6 96 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.7 3,-0.1 -0.433 24.4-118.3-110.4-175.2 -4.8 -14.0 11.6 97 99 A S S S+ 0 0 44 142,-0.1 2,-0.3 -2,-0.1 5,-0.1 0.374 104.4 38.5-101.1 0.7 -3.5 -16.6 9.2 98 100 A L S > S- 0 0 115 3,-0.4 3,-1.7 15,-0.1 -2,-0.2 -0.977 91.8-111.1-148.0 147.5 -5.7 -19.2 10.9 99 101 A D T 3 S+ 0 0 66 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.662 111.2 64.4 -58.0 -14.7 -9.2 -19.1 12.4 100 102 A G T 3 S+ 0 0 57 13,-0.1 2,-0.3 46,-0.1 -1,-0.3 0.224 105.7 36.0 -96.7 13.8 -7.8 -19.4 15.9 101 103 A Q < + 0 0 50 -3,-1.7 -5,-0.7 12,-0.2 -3,-0.4 -0.980 63.4 94.3-157.1 158.4 -5.8 -16.2 16.0 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.003 57.4 104.0 147.5 -36.0 -6.1 -12.6 14.7 103 105 A S - 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