==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 26-MAY-08 3D8W . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GENIS,K.H.SIPPEL,N.CASE,L.GOVINDASAMY,M.AGBANDJE-MCKENNA, . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 5.8 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 . 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 . 23 8.9 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 . 16 6.2 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 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 RESIDUES PER ALPHA HELIX . 1 1 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 0 189 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.3 9.9 0.3 8.6 2 5 A W + 0 0 37 1,-0.1 2,-0.2 2,-0.1 7,-0.2 -0.335 360.0 131.7 -71.1 159.5 7.8 -1.4 11.3 3 6 A G - 0 0 12 5,-2.7 10,-0.1 2,-0.1 58,-0.1 -0.791 64.5 -77.8-169.8-143.8 5.4 -4.2 10.5 4 7 A Y S S+ 0 0 31 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.218 82.7 108.8-126.0 11.1 4.4 -7.7 11.5 5 8 A G S > S- 0 0 28 1,-0.1 4,-1.0 3,-0.1 3,-0.4 -0.166 85.1 -93.2 -82.7-179.1 7.2 -9.8 10.1 6 9 A K T 4 S+ 0 0 168 1,-0.2 -1,-0.1 2,-0.2 3,-0.0 0.823 123.2 40.4 -66.4 -25.3 10.0 -11.6 11.9 7 10 A H T 4 S+ 0 0 167 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.628 129.0 24.2-101.5 -7.9 12.4 -8.8 11.6 8 11 A N T 4 S+ 0 0 57 -3,-0.4 -5,-2.7 -6,-0.1 -2,-0.2 0.137 91.7 124.4-139.0 23.1 10.2 -5.8 12.2 9 12 A G S >X S- 0 0 0 -4,-1.0 3,-3.2 -5,-0.2 4,-0.7 -0.046 79.7 -69.2 -84.4-177.1 7.3 -7.1 14.3 10 13 A P G >4 S+ 0 0 22 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.722 126.9 61.8 -43.2 -36.7 5.9 -6.1 17.7 11 14 A E G 34 S+ 0 0 126 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.662 109.1 44.0 -68.8 -15.3 8.9 -7.3 19.6 12 15 A H G X> S+ 0 0 58 -3,-3.2 3,-1.8 1,-0.1 4,-0.5 0.588 86.8 90.0-102.0 -13.8 11.0 -4.8 17.7 13 16 A W H XX S+ 0 0 4 -4,-0.7 4,-2.6 -3,-0.6 3,-0.9 0.807 73.3 70.5 -57.4 -32.1 8.8 -1.7 17.9 14 17 A H H 34 S+ 0 0 64 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.736 86.5 66.5 -64.8 -19.8 10.2 -0.4 21.1 15 18 A K H <4 S+ 0 0 135 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.901 117.9 23.7 -69.8 -36.9 13.5 0.6 19.4 16 19 A D H << S+ 0 0 124 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.2 0.733 135.8 36.7 -91.9 -25.6 11.8 3.3 17.4 17 20 A F >< - 0 0 59 -4,-2.6 3,-2.8 1,-0.1 -1,-0.2 -0.759 64.6-179.4-131.2 82.0 8.8 3.8 19.7 18 21 A P G > S+ 0 0 98 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.791 75.3 76.5 -60.9 -23.9 10.0 3.5 23.3 19 22 A I G > S+ 0 0 54 1,-0.3 3,-2.6 2,-0.2 -5,-0.1 0.701 71.1 88.1 -60.5 -11.5 6.4 4.1 24.6 20 23 A A G < S+ 0 0 7 -3,-2.8 -1,-0.3 1,-0.3 -6,-0.1 0.768 89.1 48.7 -54.9 -23.4 5.8 0.4 23.5 21 24 A K G < S+ 0 0 133 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.004 94.1 132.1-102.7 23.6 7.1 -0.4 27.0 22 25 A G S < S- 0 0 16 -3,-2.6 3,-0.5 1,-0.1 -3,-0.0 0.000 71.4-101.6 -71.4 179.8 4.7 2.1 28.6 23 26 A E S S+ 0 0 128 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.579 111.4 31.7 -80.6 -17.8 2.3 1.9 31.6 24 27 A R S S+ 0 0 46 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.360 77.9 151.3-142.8 60.5 -1.0 1.5 29.6 25 28 A Q - 0 0 4 -3,-0.5 220,-0.1 221,-0.4 170,-0.1 -0.503 33.6 -94.2 -81.2 161.4 -0.3 -0.2 26.4 26 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.1 -0.892 76.7 40.3-133.1 163.9 -2.8 -2.4 24.6 27 30 A P + 0 0 0 0, 0.0 218,-3.4 0, 0.0 2,-0.3 0.610 63.3 173.8 -85.9-176.8 -4.0 -4.7 23.9 28 31 A V - 0 0 1 216,-0.3 77,-0.5 -2,-0.2 2,-0.1 -0.997 36.6 -97.7-149.2 152.3 -4.5 -6.8 27.0 29 32 A D - 0 0 35 216,-0.3 2,-0.9 -2,-0.3 77,-0.2 -0.381 33.0-136.8 -71.4 132.9 -6.1 -10.0 28.1 30 33 A I B -a 106 0A 0 75,-3.3 77,-2.8 -2,-0.1 2,-0.9 -0.812 12.3-159.6 -94.0 109.2 -9.5 -9.5 29.7 31 34 A D >> - 0 0 61 -2,-0.9 3,-1.3 75,-0.2 4,-1.2 -0.800 3.4-159.8 -86.3 109.2 -9.7 -11.7 32.7 32 35 A T T 34 S+ 0 0 49 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.715 85.7 56.4 -68.7 -18.2 -13.5 -12.0 33.2 33 36 A H T 34 S+ 0 0 166 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.593 112.9 39.2 -90.4 -9.9 -13.2 -13.1 36.9 34 37 A T T <4 S+ 0 0 92 -3,-1.3 218,-0.2 2,-0.1 -2,-0.2 0.486 87.8 107.8-116.8 -2.1 -11.1 -10.0 37.9 35 38 A A < - 0 0 19 -4,-1.2 2,-0.6 216,-0.1 218,-0.2 -0.510 69.8-127.9 -67.8 143.0 -12.9 -7.4 35.9 36 39 A K E -c 253 0B 127 216,-2.4 218,-2.7 -2,-0.2 2,-0.2 -0.822 7.5-131.9-101.3 122.6 -15.0 -5.2 38.1 37 40 A Y E -c 254 0B 91 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.498 22.9-163.1 -61.9 131.1 -18.7 -4.6 37.5 38 41 A D > - 0 0 33 216,-2.9 3,-2.1 -2,-0.2 -1,-0.1 -0.878 13.2-170.1-122.8 104.4 -19.3 -0.8 37.7 39 42 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.723 84.6 68.0 -67.0 -14.2 -22.9 0.1 38.2 40 43 A S T 3 S+ 0 0 84 -3,-0.1 2,-0.1 2,-0.1 215,-0.1 0.705 76.5 103.9 -76.1 -15.5 -22.0 3.7 37.6 41 44 A L < - 0 0 29 -3,-2.1 3,-0.1 213,-0.2 38,-0.0 -0.440 67.3-136.6 -70.4 138.6 -21.1 3.1 34.0 42 45 A K - 0 0 110 37,-1.0 39,-0.1 -2,-0.1 -1,-0.1 -0.502 25.2 -92.2 -88.8 161.0 -23.7 4.3 31.5 43 46 A P - 0 0 110 0, 0.0 36,-1.9 0, 0.0 2,-0.2 -0.416 48.8-103.7 -62.5 150.1 -25.1 2.5 28.4 44 47 A L E -D 78 0B 15 141,-0.3 2,-0.5 34,-0.3 34,-0.2 -0.530 27.1-148.5 -68.4 143.1 -23.2 3.2 25.2 45 48 A S E -D 77 0B 60 32,-2.7 32,-2.2 -2,-0.2 2,-0.6 -0.966 14.7-173.7-113.6 110.0 -25.0 5.6 22.8 46 49 A V E -D 76 0B 35 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.927 4.6-179.2-104.9 115.1 -24.1 4.8 19.2 47 50 A S E +D 75 0B 46 28,-2.9 28,-2.1 -2,-0.6 3,-0.2 -0.807 25.6 140.2-118.0 88.2 -25.5 7.3 16.7 48 51 A Y > + 0 0 3 -2,-0.6 3,-1.6 26,-0.2 130,-0.2 0.189 33.9 107.9-111.9 13.3 -24.5 6.1 13.3 49 52 A D T 3 S+ 0 0 85 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.812 86.7 41.1 -68.1 -27.9 -27.7 6.9 11.4 50 53 A Q T 3 S+ 0 0 118 23,-0.7 -1,-0.3 -3,-0.2 24,-0.2 0.182 83.5 143.9-103.7 19.8 -26.1 9.8 9.6 51 54 A A < - 0 0 22 -3,-1.6 2,-0.5 22,-0.2 123,-0.1 -0.251 33.5-159.8 -60.7 141.2 -22.7 8.2 8.9 52 55 A T - 0 0 49 16,-0.3 16,-2.8 122,-0.1 2,-0.1 -0.868 3.3-161.0-122.9 100.6 -21.0 9.1 5.6 53 56 A S E -E 67 0B 1 -2,-0.5 121,-0.6 122,-0.4 14,-0.3 -0.536 9.5-179.1 -77.8 152.2 -18.4 6.7 4.4 54 57 A L E - 0 0 83 12,-3.0 118,-2.4 1,-0.4 2,-0.3 0.674 51.0 -26.0-117.3 -51.6 -16.0 8.1 1.8 55 58 A R E -EF 66 171B 91 11,-1.0 11,-2.7 116,-0.3 2,-0.4 -0.992 46.2-119.4-162.8 170.2 -13.5 5.5 0.8 56 59 A I E -EF 65 170B 0 114,-2.9 114,-2.4 -2,-0.3 2,-0.4 -0.980 29.8-169.9-125.6 138.5 -11.5 2.3 1.6 57 60 A L E -EF 64 169B 31 7,-2.6 7,-2.4 -2,-0.4 2,-0.8 -0.983 24.8-143.6-133.2 135.5 -7.7 2.2 1.7 58 61 A N E -E 63 0B 0 110,-2.7 109,-3.1 -2,-0.4 5,-0.2 -0.872 21.8-179.4 -91.0 110.8 -5.0 -0.4 1.9 59 62 A N - 0 0 40 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.317 52.7 -99.7 -99.4 9.3 -2.4 1.3 4.1 60 63 A G S S+ 0 0 13 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.255 116.9 48.1 89.9 -5.2 0.1 -1.6 4.0 61 64 A H S S- 0 0 48 1,-0.6 2,-0.3 -58,-0.1 166,-0.1 0.528 125.2 -16.1-134.5 -12.8 -0.8 -3.0 7.4 62 65 A A S S- 0 0 3 165,-0.1 -3,-2.0 -5,-0.1 -1,-0.6 -0.892 70.8 -98.6-160.4-176.9 -4.6 -3.1 7.3 63 66 A F E -E 58 0B 0 -2,-0.3 29,-0.5 29,-0.3 2,-0.4 -0.985 34.1-156.7-114.2 138.5 -7.5 -1.7 5.3 64 67 A N E -EG 57 91B 18 -7,-2.4 -7,-2.6 -2,-0.4 2,-0.5 -0.914 10.4-151.5-107.8 136.5 -9.3 1.4 6.6 65 68 A V E -EG 56 90B 0 25,-2.8 25,-1.9 -2,-0.4 2,-0.3 -0.964 27.3-150.5 -99.4 125.7 -12.8 2.5 5.8 66 69 A E E -EG 55 89B 52 -11,-2.7 -12,-3.0 -2,-0.5 -11,-1.0 -0.744 10.6-161.1-103.9 145.4 -12.9 6.3 6.2 67 70 A F E -E 53 0B 7 21,-2.5 2,-0.6 -2,-0.3 -14,-0.2 -0.845 30.6-101.9-120.3 155.3 -15.8 8.5 7.1 68 71 A D + 0 0 41 -16,-2.8 -16,-0.3 -2,-0.3 6,-0.3 -0.662 39.8 173.4 -73.3 120.5 -16.5 12.2 6.8 69 72 A D + 0 0 42 -2,-0.6 -1,-0.1 1,-0.1 17,-0.1 -0.040 43.5 110.0-119.3 30.7 -15.8 13.6 10.3 70 73 A S S S+ 0 0 80 2,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.610 87.5 20.8 -79.4 -9.8 -16.2 17.3 9.6 71 74 A Q S S- 0 0 123 -3,-0.2 2,-2.3 3,-0.0 3,-0.4 -0.923 100.7 -80.8-150.3 163.6 -19.5 17.4 11.5 72 75 A D S S+ 0 0 88 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.422 78.1 128.1 -72.1 64.8 -21.3 15.4 14.3 73 76 A K S S+ 0 0 47 -2,-2.3 -23,-0.7 1,-0.3 2,-0.6 0.949 73.5 20.3 -81.7 -66.4 -22.7 12.8 11.8 74 77 A A S S+ 0 0 6 -3,-0.4 13,-2.6 -6,-0.3 2,-0.3 -0.930 85.1 167.3-112.3 111.3 -21.7 9.5 13.4 75 78 A V E -DH 47 86B 12 -28,-2.1 -28,-2.9 -2,-0.6 2,-0.4 -0.882 31.5-147.1-133.6 161.8 -20.9 9.8 17.0 76 79 A L E +DH 46 85B 0 9,-2.6 9,-2.2 -2,-0.3 2,-0.3 -0.983 29.2 157.9-123.5 131.1 -20.3 7.7 20.2 77 80 A K E +D 45 0B 88 -32,-2.2 -32,-2.7 -2,-0.4 7,-0.1 -0.874 38.1 33.7-140.9 173.4 -21.4 9.0 23.6 78 81 A G E > S+D 44 0B 17 5,-0.4 3,-2.5 -2,-0.3 -34,-0.3 -0.409 70.6 87.9 81.1-155.6 -22.1 7.6 26.9 79 82 A G T 3 S- 0 0 2 -36,-1.9 -37,-1.0 1,-0.3 -1,-0.1 -0.348 119.5 -27.6 53.4-134.5 -20.5 4.5 28.4 80 83 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.350 115.1 112.3 -88.2 4.1 -17.4 5.7 30.3 81 84 A L < - 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