==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 18-NOV-03 1RJ5 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE XIV; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR D.A.WHITTINGTON,J.H.GRUBB,A.WAHEED,G.N.SHAH,W.S.SLY,D.W.CHRI . 516 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 20.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 64 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 7.4 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 0 2 2 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 . 2 6 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 0 PARALLEL BRIDGES PER LADDER . 4 5 6 1 0 2 0 2 2 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 . 1 2 0 0 0 0 0 0 0 0 0 1 1 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 0 190 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -3.1 -1.0 -5.9 12.3 2 4 A H - 0 0 116 0, 0.0 2,-0.1 0, 0.0 7,-0.1 -0.851 360.0-148.7-103.2 109.7 1.2 -5.9 9.2 3 5 A W - 0 0 38 -2,-0.7 2,-0.2 5,-0.0 7,-0.2 -0.378 14.9-173.0 -72.6 152.4 2.7 -2.5 8.4 4 6 A T - 0 0 56 5,-1.8 3,-0.1 1,-0.1 10,-0.1 -0.737 32.1-112.1-132.2 178.7 3.4 -1.5 4.8 5 7 A Y S S+ 0 0 20 -2,-0.2 6,-3.3 5,-0.2 7,-0.3 0.930 94.9 17.0 -84.0 -50.1 5.1 1.6 3.3 6 8 A E S S+ 0 0 105 4,-0.3 3,-0.3 5,-0.1 -1,-0.2 -0.866 101.9 41.6-120.0 154.9 2.2 3.4 1.5 7 9 A G S > S- 0 0 40 -2,-0.3 3,-1.6 1,-0.2 5,-0.2 -0.731 108.6 -23.1 114.3-162.8 -1.5 2.9 2.0 8 10 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -5,-0.0 0.787 146.3 30.1 -59.0 -31.1 -3.9 2.5 4.9 9 11 A H T 3 S+ 0 0 115 -3,-0.3 -5,-1.8 -7,-0.1 -2,-0.1 -0.016 97.6 135.3-118.1 25.4 -1.1 1.1 7.1 10 12 A G S X> S- 0 0 0 -3,-1.6 3,-2.9 -7,-0.2 4,-0.6 0.002 78.7 -79.2 -68.4 178.2 1.7 3.1 5.4 11 13 A Q T 34 S+ 0 0 18 -6,-3.3 3,-0.5 1,-0.3 -5,-0.1 0.721 127.2 69.1 -51.3 -22.5 4.5 5.1 7.1 12 14 A D T 34 S+ 0 0 122 -7,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.781 105.1 38.5 -68.0 -28.5 1.9 7.8 7.7 13 15 A H T X> S+ 0 0 89 -3,-2.9 4,-1.1 -6,-0.2 3,-1.1 0.398 83.9 101.2-104.0 2.2 0.2 5.6 10.2 14 16 A W H 3X S+ 0 0 1 -4,-0.6 4,-3.3 -3,-0.5 3,-0.3 0.891 76.2 60.7 -54.5 -42.4 3.2 3.9 11.9 15 17 A P H 34 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 7,-0.2 0.841 99.2 59.6 -54.3 -33.0 2.9 6.3 14.9 16 18 A T H <4 S+ 0 0 118 -3,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.949 121.6 21.2 -59.6 -53.2 -0.6 4.9 15.6 17 19 A S H < S+ 0 0 80 -4,-1.1 -1,-0.2 -3,-0.3 -3,-0.1 0.618 134.3 40.6 -92.7 -16.4 0.6 1.3 16.0 18 20 A Y >< - 0 0 55 -4,-3.3 3,-1.8 -5,-0.3 -1,-0.3 -0.801 65.5-172.3-135.8 91.6 4.2 2.0 16.8 19 21 A P G > S+ 0 0 106 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.842 83.6 64.3 -49.9 -42.9 4.6 5.1 19.2 20 22 A E G > S+ 0 0 77 1,-0.3 3,-2.1 2,-0.2 182,-0.1 0.787 88.0 72.5 -55.3 -27.9 8.3 5.1 18.8 21 23 A a G < S+ 0 0 1 -3,-1.8 -1,-0.3 1,-0.3 -7,-0.1 0.664 94.4 52.4 -63.2 -16.9 7.8 5.9 15.1 22 24 A G G < S+ 0 0 53 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.058 87.9 137.1-104.6 21.9 6.7 9.4 16.1 23 25 A G < - 0 0 23 -3,-2.1 3,-0.5 179,-0.2 -3,-0.0 0.009 66.1-114.8 -62.8 172.9 9.8 10.0 18.1 24 26 A D S S+ 0 0 112 1,-0.2 -1,-0.1 180,-0.0 2,-0.1 0.659 109.5 45.9 -85.1 -17.6 11.9 13.1 18.2 25 27 A A S S+ 0 0 13 170,-0.1 -1,-0.2 2,-0.0 2,-0.1 -0.418 80.2 151.9-124.5 58.9 15.0 11.5 16.7 26 28 A Q - 0 0 3 -3,-0.5 222,-0.2 223,-0.4 172,-0.1 -0.456 32.5 -98.5 -88.4 158.8 13.7 9.5 13.7 27 29 A S S S+ 0 0 0 170,-0.5 2,-0.1 -2,-0.1 219,-0.1 -0.839 78.4 47.8-124.2 161.6 15.5 8.6 10.5 28 30 A P - 0 0 0 0, 0.0 220,-3.8 0, 0.0 2,-0.3 0.623 65.8-177.7 -80.7 179.4 16.0 9.1 7.7 29 31 A I - 0 0 1 218,-0.3 76,-1.3 -2,-0.1 2,-0.8 -0.942 33.8-110.7-137.8 158.4 16.7 12.8 7.4 30 32 A N E -a 105 0A 41 218,-0.5 2,-0.7 -2,-0.3 76,-0.2 -0.823 36.3-142.8 -90.8 109.6 17.5 15.3 4.6 31 33 A I E -a 106 0A 0 74,-2.3 76,-2.6 -2,-0.8 2,-0.8 -0.647 10.2-159.9 -80.4 115.3 21.1 16.2 5.2 32 34 A Q >> - 0 0 78 -2,-0.7 3,-1.7 74,-0.2 4,-0.8 -0.830 7.0-153.8 -96.1 103.8 21.7 19.9 4.4 33 35 A T T 34 S+ 0 0 61 -2,-0.8 3,-0.2 1,-0.3 -1,-0.1 0.684 91.6 62.0 -49.7 -22.7 25.4 20.4 3.8 34 36 A D T 34 S+ 0 0 154 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.877 105.9 45.2 -73.3 -34.4 25.3 24.0 4.9 35 37 A S T <4 S+ 0 0 75 -3,-1.7 220,-0.3 2,-0.1 2,-0.2 0.517 85.6 120.4 -84.9 -8.7 24.2 23.0 8.4 36 38 A V < - 0 0 27 -4,-0.8 2,-0.7 -3,-0.2 220,-0.2 -0.422 59.6-139.9 -64.2 125.6 26.7 20.3 8.7 37 39 A I E -c 256 0B 86 218,-2.2 220,-1.5 -2,-0.2 -1,-0.1 -0.785 17.8-130.8 -89.9 112.2 29.1 20.8 11.6 38 40 A F E -c 257 0B 112 -2,-0.7 220,-0.2 218,-0.2 3,-0.1 -0.379 22.9-171.3 -63.1 134.8 32.7 19.9 10.6 39 41 A D > - 0 0 41 218,-2.4 3,-2.0 220,-0.2 -1,-0.1 -0.767 12.7-178.5-132.6 90.0 34.3 17.6 13.1 40 42 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 218,-0.1 0.602 82.3 64.8 -62.5 -10.4 38.1 17.1 12.5 41 43 A D T 3 S+ 0 0 140 2,-0.1 217,-0.1 -3,-0.1 -3,-0.0 0.427 70.8 113.4 -94.5 1.8 38.2 14.8 15.5 42 44 A L < - 0 0 35 -3,-2.0 3,-0.1 215,-0.2 2,-0.1 -0.614 65.7-134.1 -74.1 123.1 35.9 12.1 14.0 43 45 A P - 0 0 66 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.388 32.1 -87.3 -74.8 158.9 37.9 8.9 13.4 44 46 A A - 0 0 53 1,-0.1 2,-0.8 -2,-0.1 144,-0.1 -0.392 35.0-118.4 -69.7 141.3 37.6 7.1 10.1 45 47 A V - 0 0 5 142,-0.4 34,-0.2 143,-0.1 -1,-0.1 -0.715 40.1-173.7 -77.7 112.7 34.9 4.5 9.7 46 48 A Q E -D 78 0B 98 32,-1.9 32,-2.0 -2,-0.8 2,-0.7 -0.898 18.7-151.7-121.3 106.9 36.9 1.4 9.1 47 49 A P E > -D 77 0B 22 0, 0.0 2,-0.8 0, 0.0 3,-0.7 -0.640 22.1-136.0 -74.3 110.0 35.2 -1.9 8.2 48 50 A H E 3 S-D 76 0B 102 28,-2.2 28,-0.8 -2,-0.7 -2,-0.0 -0.584 74.0 -28.3 -73.2 107.8 37.6 -4.7 9.4 49 50AA G T > S+ 0 0 38 -2,-0.8 3,-1.2 1,-0.1 -1,-0.3 0.900 73.8 160.6 52.8 52.2 37.9 -7.3 6.7 50 51 A Y T < S+ 0 0 2 -3,-0.7 130,-1.8 1,-0.2 129,-1.1 0.282 72.4 66.2 -83.5 12.6 34.5 -6.9 5.1 51 52 A D T 3 S+ 0 0 80 127,-0.2 2,-0.6 128,-0.2 -1,-0.2 0.457 90.1 70.5-105.5 -8.2 36.0 -8.7 2.1 52 53 A Q < + 0 0 130 -3,-1.2 -1,-0.2 1,-0.1 3,-0.1 -0.841 48.5 160.7-114.0 92.2 36.4 -11.9 4.1 53 54 A L - 0 0 8 -2,-0.6 3,-0.1 1,-0.3 2,-0.1 0.055 48.7-126.9 -98.3 24.7 32.9 -13.4 4.8 54 54AA G - 0 0 52 1,-0.2 -1,-0.3 122,-0.1 0, 0.0 -0.384 35.9 -64.9 73.3-143.4 34.4 -16.8 5.5 55 54BA T S S+ 0 0 134 -2,-0.1 -1,-0.2 -3,-0.1 3,-0.1 0.626 93.7 100.2-120.9 -28.7 33.3 -20.0 3.8 56 55 A E S S- 0 0 154 -3,-0.1 118,-0.1 1,-0.1 0, 0.0 -0.381 81.3 -97.8 -71.4 141.3 29.7 -20.7 4.7 57 56 A P - 0 0 80 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.197 39.3-128.6 -52.9 141.1 26.8 -19.8 2.4 58 57 A L E -E 174 0B 11 116,-2.4 116,-1.9 -3,-0.1 2,-0.5 -0.713 19.7-117.2 -93.9 148.0 25.2 -16.4 3.3 59 58 A D E -E 173 0B 49 -2,-0.3 11,-2.0 114,-0.2 2,-0.5 -0.758 29.7-175.2 -89.3 125.8 21.5 -16.2 3.8 60 59 A L E +EF 172 69B 1 112,-3.0 112,-0.5 -2,-0.5 9,-0.2 -0.962 17.7 167.3-120.4 110.5 19.6 -14.0 1.3 61 60 A H E -EF 171 68B 44 7,-2.9 7,-2.5 -2,-0.5 2,-0.5 -0.738 34.7-119.2-128.1 176.4 15.9 -13.6 2.0 62 61 A N E + F 0 67B 0 108,-1.7 107,-2.7 -2,-0.2 5,-0.2 -0.945 17.2 177.1-114.4 123.0 12.6 -11.7 1.2 63 62 A N - 0 0 44 3,-2.2 4,-0.1 -2,-0.5 -1,-0.1 0.526 52.2-115.6 -97.7 -11.3 10.7 -9.8 3.9 64 63 A G S S+ 0 0 7 2,-0.5 3,-0.1 166,-0.2 104,-0.1 0.370 116.8 64.0 85.8 -4.4 8.0 -8.4 1.5 65 64 A H S S- 0 0 44 1,-0.5 2,-0.3 175,-0.1 166,-0.1 0.554 117.8 -26.2-119.8 -26.0 9.7 -5.2 2.6 66 65 A T - 0 0 7 26,-0.1 -3,-2.2 2,-0.0 2,-0.5 -0.974 63.4 -91.1-176.1 171.5 13.2 -5.7 1.2 67 66 A V E -F 62 0B 4 -2,-0.3 24,-0.9 -5,-0.2 2,-0.4 -0.900 45.7-166.8 -99.6 126.5 15.9 -8.1 0.2 68 67 A Q E -FG 61 90B 32 -7,-2.5 -7,-2.9 -2,-0.5 2,-0.3 -0.966 12.4-159.7-125.6 131.3 18.2 -8.9 3.1 69 68 A L E -FG 60 89B 1 20,-3.0 20,-1.9 -2,-0.4 2,-0.3 -0.771 20.4-129.9-101.2 147.0 21.6 -10.6 3.2 70 69 A S E - G 0 88B 38 -11,-2.0 18,-0.2 -2,-0.3 17,-0.0 -0.708 19.4-152.7 -97.6 151.7 22.9 -12.1 6.5 71 70 A L - 0 0 16 16,-2.1 -18,-0.0 -2,-0.3 -13,-0.0 -0.975 16.9-112.8-129.0 141.7 26.4 -11.4 7.7 72 71 A P > - 0 0 27 0, 0.0 3,-1.4 0, 0.0 14,-0.1 -0.229 25.8-120.9 -64.2 154.2 28.9 -13.4 9.9 73 72 A P T 3 S+ 0 0 90 0, 0.0 13,-0.1 0, 0.0 14,-0.0 0.494 104.7 80.9 -75.5 -0.9 29.7 -12.1 13.5 74 76 A T T 3 + 0 0 92 11,-0.1 2,-0.7 2,-0.0 -20,-0.1 0.631 69.2 95.3 -77.9 -13.4 33.4 -12.0 12.3 75 77 A L < - 0 0 1 -3,-1.4 11,-2.2 11,-0.2 2,-0.5 -0.711 59.3-173.6 -82.4 117.2 32.7 -8.6 10.6 76 78 A H E -DH 48 85B 91 -28,-0.8 -28,-2.2 -2,-0.7 2,-0.6 -0.954 15.6-149.3-119.9 125.5 33.7 -5.9 13.0 77 79 A L E -DH 47 84B 3 7,-2.2 7,-1.5 -2,-0.5 3,-0.3 -0.803 20.9-171.1 -93.2 120.4 33.1 -2.1 12.4 78 80 A G E +D 46 0B 13 -32,-2.0 -32,-1.9 -2,-0.6 5,-0.1 -0.663 52.8 59.8-109.2 165.9 35.7 0.2 14.0 79 81 A G S S+ 0 0 21 1,-0.4 -1,-0.1 -2,-0.2 4,-0.1 0.341 80.3 104.5 103.7 -6.3 35.9 3.9 14.5 80 84 A L S S- 0 0 21 2,-0.4 -1,-0.4 -3,-0.3 -36,-0.0 -0.489 87.9 -95.3-101.9 174.0 32.8 4.4 16.6 81 85 A P S S+ 0 0 97 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 0.802 109.4 22.5 -57.1 -33.7 32.3 5.0 20.4 82 86 A R S S- 0 0 61 54,-0.1 2,-0.6 -4,-0.0 -2,-0.4 -0.751 97.9 -89.9-125.7 173.8 31.8 1.3 21.0 83 87 A K - 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