==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-SEP-11 3TVN . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.L.MIKULSKI,D.M.WEST,K.H.SIPPEL,B.S.AVVARU,T.CHINGKUANG,R.M . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 64.0 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 . 58 22.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 33 12.8 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 2 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 1 3 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 X H 0 0 170 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 67.8 13.2 -2.3 7.4 2 4 X H - 0 0 157 1,-0.2 0, 0.0 15,-0.0 0, 0.0 -0.353 360.0 -72.6 -90.0 172.9 10.0 -0.9 8.9 3 5 X W + 0 0 47 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.211 64.1 132.8 -69.1 150.6 7.6 -2.6 11.3 4 6 X G - 0 0 7 5,-2.5 10,-0.1 2,-0.2 -1,-0.1 -0.749 64.0 -81.8-160.6-146.2 5.4 -5.5 10.3 5 7 X Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.156 83.1 108.1-125.2 17.6 4.4 -9.0 11.5 6 8 X G S > S- 0 0 37 4,-0.1 4,-1.6 1,-0.1 3,-0.4 -0.248 84.8 -90.3 -90.3-179.3 7.3 -11.1 10.3 7 9 X K T 4 S+ 0 0 162 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.835 124.0 34.0 -58.2 -36.3 10.2 -12.9 12.0 8 10 X H T 4 S+ 0 0 117 1,-0.1 -1,-0.2 4,-0.0 -5,-0.0 0.561 131.4 26.9-103.4 -7.9 12.5 -9.9 11.8 9 11 X N T 4 S+ 0 0 41 -3,-0.4 -5,-2.5 -6,-0.1 -2,-0.2 0.269 92.7 115.5-136.4 11.8 10.1 -7.0 12.1 10 12 X G S >X S- 0 0 0 -4,-1.6 3,-3.0 -7,-0.2 4,-0.8 0.095 85.4 -64.2 -80.5-172.1 7.2 -8.3 14.1 11 13 X P T 34 S+ 0 0 28 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.741 128.8 60.6 -45.9 -35.8 5.7 -7.4 17.6 12 14 X E T 34 S+ 0 0 114 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.645 110.0 43.5 -67.0 -18.5 8.9 -8.6 19.4 13 15 X H T X> S+ 0 0 48 -3,-3.0 3,-1.7 1,-0.1 4,-0.5 0.600 87.1 89.6-100.0 -17.3 10.9 -6.0 17.6 14 16 X W H >X S+ 0 0 5 -4,-0.8 4,-2.4 -3,-0.5 3,-0.7 0.790 72.7 70.6 -58.0 -33.3 8.6 -3.0 17.8 15 17 X H H 34 S+ 0 0 67 -4,-0.4 -1,-0.3 1,-0.2 6,-0.1 0.770 88.2 66.1 -58.6 -26.1 10.1 -1.7 21.1 16 18 X K H <4 S+ 0 0 125 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.937 116.8 24.0 -62.8 -47.3 13.3 -0.7 19.3 17 19 X D H << S+ 0 0 113 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.690 136.7 36.7 -88.3 -20.0 11.6 2.0 17.2 18 20 X F >< - 0 0 53 -4,-2.4 3,-2.5 1,-0.1 -1,-0.2 -0.696 64.7-178.1-135.6 80.1 8.7 2.5 19.6 19 21 X P G > S+ 0 0 100 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.715 77.0 75.7 -55.2 -23.6 9.9 2.2 23.3 20 22 X I G > S+ 0 0 66 1,-0.3 3,-2.3 179,-0.2 -5,-0.1 0.603 71.1 88.6 -65.1 -9.1 6.3 2.6 24.5 21 23 X A G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -6,-0.1 0.758 91.3 44.7 -58.4 -23.9 5.8 -1.0 23.4 22 24 X K G < S+ 0 0 145 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.039 97.1 127.4-106.8 24.3 7.0 -1.9 26.9 23 25 X G S < S- 0 0 13 -3,-2.3 3,-0.5 1,-0.1 -3,-0.1 0.124 72.9 -97.7 -79.0-171.3 4.9 0.7 28.6 24 26 X E S S+ 0 0 120 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.564 112.8 33.8 -89.6 -12.4 2.3 0.7 31.4 25 27 X R S S+ 0 0 47 224,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.293 79.3 156.0-140.9 55.5 -0.9 0.5 29.4 26 28 X Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.502 32.2-100.8 -85.3 151.6 -0.2 -1.5 26.3 27 29 X S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.898 77.6 38.4-126.7 156.2 -2.8 -3.4 24.3 28 30 X P + 0 0 0 0, 0.0 218,-2.6 0, 0.0 2,-0.3 0.589 66.3 176.9 -80.4-177.3 -4.1 -6.0 23.6 29 31 X V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.930 36.3 -98.1-140.5 160.8 -4.5 -8.0 26.8 30 32 X D E -a 106 0A 29 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.704 35.0-138.7 -75.0 133.6 -5.9 -11.2 28.0 31 33 X I E -a 107 0A 0 75,-2.9 77,-2.6 -2,-0.4 2,-1.0 -0.853 10.5-158.0 -98.1 105.5 -9.4 -10.7 29.5 32 34 X D >> - 0 0 66 -2,-0.8 4,-1.9 75,-0.2 3,-1.0 -0.766 4.0-161.1 -83.7 104.9 -9.6 -12.9 32.6 33 35 X T T 34 S+ 0 0 43 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.751 86.2 52.7 -63.1 -26.3 -13.4 -13.2 32.9 34 36 X H T 34 S+ 0 0 166 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.709 112.7 43.7 -84.6 -18.9 -13.3 -14.2 36.5 35 37 X T T <4 S+ 0 0 113 -3,-1.0 2,-0.2 2,-0.1 -2,-0.2 0.685 89.5 98.6 -96.4 -23.3 -11.1 -11.3 37.6 36 38 X A S < S- 0 0 17 -4,-1.9 2,-0.4 218,-0.1 218,-0.2 -0.480 71.5-138.8 -65.0 130.6 -13.0 -8.6 35.6 37 39 X K E -c 254 0B 154 216,-1.5 218,-2.5 -2,-0.2 2,-0.2 -0.798 10.2-118.4-102.1 133.5 -15.4 -6.9 38.0 38 40 X Y E -c 255 0B 83 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.462 26.6-157.8 -61.5 130.1 -19.0 -6.0 37.2 39 41 X D > - 0 0 29 216,-2.6 3,-1.5 -2,-0.2 -1,-0.1 -0.910 13.0-171.9-116.7 103.0 -19.3 -2.2 37.5 40 42 X P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.633 83.0 70.1 -68.1 -11.6 -22.9 -1.1 38.0 41 43 X S T 3 S+ 0 0 90 -3,-0.1 215,-0.1 2,-0.1 -3,-0.0 0.709 73.4 105.4 -79.1 -21.6 -21.8 2.5 37.5 42 44 X L < - 0 0 33 -3,-1.5 3,-0.1 213,-0.2 38,-0.0 -0.319 67.6-136.5 -58.1 139.6 -21.1 1.9 33.8 43 45 X K - 0 0 140 37,-1.3 39,-0.1 1,-0.1 -1,-0.1 -0.582 35.9 -81.4 -91.5 160.8 -23.8 3.5 31.6 44 46 X P - 0 0 115 0, 0.0 36,-1.2 0, 0.0 2,-0.2 -0.385 50.5-107.8 -64.3 142.3 -25.2 1.7 28.6 45 47 X L E -D 79 0B 16 34,-0.3 2,-0.6 141,-0.2 34,-0.2 -0.495 29.9-152.1 -68.8 134.8 -23.0 1.9 25.5 46 48 X S E +D 78 0B 35 32,-3.0 32,-2.2 -2,-0.2 2,-0.6 -0.938 15.4 179.3-115.7 110.5 -24.5 4.1 22.8 47 49 X V E -D 77 0B 33 -2,-0.6 2,-0.8 30,-0.2 30,-0.2 -0.924 1.2-179.9-113.4 105.0 -23.5 3.2 19.2 48 50 X S E +D 76 0B 46 28,-2.9 28,-1.9 -2,-0.6 3,-0.2 -0.797 21.7 145.2-110.7 90.4 -25.2 5.6 16.8 49 51 X Y > + 0 0 3 -2,-0.8 3,-2.0 26,-0.2 130,-0.2 0.282 33.1 111.1-106.8 7.2 -24.1 4.6 13.2 50 52 X D T 3 S+ 0 0 90 1,-0.3 -1,-0.1 24,-0.2 25,-0.1 0.779 87.7 37.4 -56.5 -29.2 -27.3 5.5 11.3 51 53 X Q T 3 S+ 0 0 110 -3,-0.2 -1,-0.3 23,-0.2 24,-0.3 0.213 83.1 144.0-107.4 13.8 -25.6 8.4 9.5 52 54 X A < - 0 0 20 -3,-2.0 2,-0.5 22,-0.2 18,-0.1 -0.286 33.0-160.5 -56.9 133.5 -22.2 6.8 9.0 53 55 X T - 0 0 52 16,-0.4 16,-2.9 122,-0.1 2,-0.1 -0.895 1.9-157.6-122.2 100.7 -20.6 7.7 5.6 54 56 X S E +E 68 0B 0 -2,-0.5 121,-0.5 122,-0.3 14,-0.3 -0.441 12.4 178.5 -72.8 149.1 -17.9 5.4 4.4 55 57 X L E - 0 0 89 12,-3.4 118,-2.5 1,-0.4 2,-0.3 0.756 53.6 -11.8-113.4 -57.1 -15.4 6.9 1.9 56 58 X R E -EF 67 172B 81 11,-0.9 11,-2.9 116,-0.3 -1,-0.4 -0.944 46.6-134.9-149.0 161.3 -12.7 4.4 0.9 57 59 X I E -EF 66 171B 0 114,-2.4 114,-2.2 -2,-0.3 2,-0.4 -0.988 28.6-170.1-123.2 137.3 -11.1 1.1 1.6 58 60 X L E -EF 65 170B 33 7,-2.2 7,-2.6 -2,-0.4 2,-0.8 -0.984 26.7-144.7-134.6 136.1 -7.3 0.8 1.7 59 61 X N E +E 64 0B 0 110,-2.8 109,-3.0 -2,-0.4 5,-0.2 -0.890 22.8 179.0 -91.4 108.7 -4.7 -1.9 1.9 60 62 X N - 0 0 45 3,-1.8 4,-0.1 -2,-0.8 -1,-0.1 0.292 53.5-100.9 -97.7 12.0 -2.0 -0.3 4.0 61 63 X G S S+ 0 0 7 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.329 118.2 57.9 87.7 -7.1 0.4 -3.2 4.0 62 64 X H S S- 0 0 41 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.611 122.5 -35.7-121.3 -32.2 -0.7 -4.2 7.6 63 65 X A S S- 0 0 7 -5,-0.1 -3,-1.8 164,-0.1 -1,-0.5 -0.887 70.6 -82.8-164.5-170.6 -4.4 -4.7 7.2 64 66 X F E -E 59 0B 0 29,-0.3 29,-0.6 -2,-0.3 2,-0.5 -0.953 39.6-157.6-110.8 144.9 -7.3 -3.2 5.2 65 67 X Q E -EG 58 92B 42 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.7 -0.971 10.6-153.3-125.6 125.2 -8.9 -0.1 6.5 66 68 X V E -EG 57 91B 0 25,-3.0 25,-1.9 -2,-0.5 2,-0.3 -0.892 25.0-154.6 -95.3 116.5 -12.4 1.2 5.8 67 69 X E E -EG 56 90B 38 -11,-2.9 -12,-3.4 -2,-0.7 -11,-0.9 -0.690 5.7-154.8 -99.4 146.9 -12.4 5.0 6.2 68 70 X F E -E 54 0B 7 21,-2.9 2,-0.9 -2,-0.3 -14,-0.2 -0.834 27.4-108.0-118.4 151.8 -15.2 7.3 7.1 69 71 X D + 0 0 47 -16,-2.9 -16,-0.4 -2,-0.3 3,-0.3 -0.716 39.4 173.6 -74.3 108.0 -16.0 10.9 6.5 70 72 X D + 0 0 42 -2,-0.9 -1,-0.1 1,-0.2 17,-0.1 -0.074 46.1 105.7-109.0 30.6 -15.7 12.2 10.1 71 73 X S S S+ 0 0 82 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.531 80.6 44.7 -88.4 -8.7 -16.1 15.9 9.2 72 74 X Q S S- 0 0 106 -3,-0.3 2,-1.5 3,-0.0 3,-0.2 -0.900 98.8 -93.8-129.5 164.2 -19.6 16.0 10.6 73 75 X D S S+ 0 0 120 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.588 82.1 110.0 -76.6 88.9 -21.2 14.8 13.8 74 76 X K + 0 0 53 -2,-1.5 2,-1.1 1,-0.3 -22,-0.2 0.549 59.3 41.6-126.1 -88.1 -22.5 11.4 12.5 75 77 X A S S+ 0 0 6 -24,-0.3 13,-3.3 -3,-0.2 2,-0.4 -0.616 78.3 173.9 -74.8 101.2 -21.3 8.0 13.5 76 78 X V E -DH 48 87B 10 -28,-1.9 -28,-2.9 -2,-1.1 2,-0.4 -0.899 28.7-160.9-121.8 139.1 -20.8 8.4 17.2 77 79 X L E +DH 47 86B 0 9,-2.9 9,-2.6 -2,-0.4 2,-0.3 -0.954 31.7 142.9-111.9 133.0 -19.9 6.2 20.2 78 80 X K E +DH 46 85B 96 -32,-2.2 -32,-3.0 -2,-0.4 7,-0.1 -0.907 33.2 43.2-154.7-178.8 -20.7 7.5 23.7 79 81 X G E > S+D 45 0B 19 5,-0.5 3,-2.4 3,-0.3 -34,-0.3 -0.335 74.1 83.9 69.8-153.7 -21.9 6.3 27.1 80 82 X G T 3 S- 0 0 5 -36,-1.2 -37,-1.3 1,-0.3 -1,-0.1 -0.399 122.0 -23.5 55.7-131.4 -20.5 3.1 28.5 81 83 X P T 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.514 116.6 109.7 -83.5 -5.0 -17.2 4.1 30.2 82 84 X L < - 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I 0 116B 0 -29,-0.6 2,-0.4 -2,-0.3 -29,-0.3 -0.865 1.4-150.6-127.8 159.7 -9.5 -6.3 11.2 94 96 X H E + I 0 115B 3 21,-2.1 21,-2.3 -2,-0.3 2,-0.3 -0.986 30.9 169.1-122.4 140.3 -6.8 -8.5 12.5 95 97 X W E - I 0 114B 0 -2,-0.4 146,-1.2 19,-0.2 145,-0.9 -0.933 24.1-114.6-150.5 171.9 -6.8 -12.2 11.6 96 98 X G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.408 22.9-122.9-104.9 173.1 -5.0 -15.5 11.5 97 99 X S S S+ 0 0 42 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.619 106.2 28.5 -82.8 -16.5 -3.5 -17.9 9.1 98 100 X L S > S- 0 0 110 3,-0.2 3,-1.6 15,-0.1 -2,-0.2 -0.942 90.3-109.7-140.6 156.4 -5.8 -20.5 10.7 99 101 X D T 3 S+ 0 0 71 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.747 110.2 70.3 -63.6 -21.4 -9.1 -20.3 12.5 100 102 X G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.444 107.0 27.0 -79.3 2.2 -7.5 -21.0 15.9 101 103 X Q < + 0 0 55 -3,-1.6 -5,-0.6 12,-0.1 -3,-0.2 -0.970 66.5 98.9-152.3 165.8 -5.7 -17.7 16.0 102 104 X G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.002 55.2 106.1 145.4 -33.3 -6.1 -14.1 14.8 103 105 X S - 0 0 1 9,-2.0 -1,-0.5 11,-0.3 12,-0.1 -0.355 52.2-153.4 -75.2 157.6 -7.6 -12.1 17.6 104 106 X E S S+ 0 0 1 -10,-0.1 -1,-0.1 -3,-0.1 2,-0.1 0.869 83.0 53.0 -93.3 -57.6 -5.6 -9.6 19.5 105 107 X H S S- 0 0 0 -77,-0.1 7,-0.5 140,-0.1 2,-0.3 -0.480 77.6-157.5 -68.8 153.0 -7.5 -9.6 22.8 106 108 X T E -a 30 0A 9 -77,-1.2 -75,-2.9 5,-0.1 2,-0.5 -0.893 11.2-138.1-127.5 158.5 -8.1 -13.1 24.2 107 109 X V E > S-aB 31 110A 18 3,-1.8 3,-2.3 -2,-0.3 -75,-0.2 -0.963 88.3 -22.1-121.1 113.0 -10.8 -14.3 26.6 108 110 X D T 3 S- 0 0 66 -77,-2.6 -1,-0.2 -2,-0.5 -76,-0.1 0.922 129.3 -53.1 46.8 45.2 -9.4 -16.6 29.3 109 111 X K T 3 S+ 0 0 158 1,-0.3 2,-0.3 -78,-0.1 -1,-0.3 0.317 105.8 139.5 74.1 -3.0 -6.6 -17.2 26.9 110 112 X K B < -B 107 0A 112 -3,-2.3 -3,-1.8 -9,-0.0 2,-0.5 -0.558 41.1-151.5 -72.8 128.6 -9.0 -18.1 24.1 111 113 X K - 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