==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 27-SEP-12 4HBA . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.D.BOONE,A.HABIBZADEGAN,R.MCKENNA . 257 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 21.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 22 8.6 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 . 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 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 0 0 RESIDUES PER ALPHA HELIX . 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 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 4 A H 0 0 181 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.2 13.7 0.2 78.2 2 5 A W + 0 0 41 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.271 360.0 130.8 -68.2 150.0 11.4 -1.4 80.8 3 6 A G - 0 0 10 5,-2.6 10,-0.1 2,-0.1 -1,-0.1 -0.744 65.7 -79.1-162.5-144.5 9.1 -4.2 79.9 4 7 A Y S S+ 0 0 36 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.109 83.6 109.1-126.4 20.2 8.0 -7.7 81.0 5 8 A G S > S- 0 0 41 1,-0.1 4,-1.4 4,-0.1 3,-0.3 -0.226 84.4 -92.1 -88.6-175.9 10.9 -9.8 79.6 6 9 A K T 4 S+ 0 0 180 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.858 124.3 35.9 -62.4 -36.9 13.8 -11.6 81.4 7 10 A H T 4 S+ 0 0 157 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.541 130.6 26.6-101.2 -5.7 16.1 -8.7 81.1 8 11 A N T 4 S+ 0 0 57 -3,-0.3 -5,-2.6 -6,-0.1 -2,-0.2 0.272 90.9 119.0-139.6 13.3 13.7 -5.7 81.6 9 12 A G S >X S- 0 0 4 -4,-1.4 3,-3.0 -7,-0.2 4,-0.8 0.070 82.3 -64.3 -77.2-172.6 10.8 -7.0 83.7 10 13 A P T 34 S+ 0 0 27 0, 0.0 4,-0.4 0, 0.0 3,-0.4 0.684 127.9 59.2 -48.9 -31.4 9.4 -6.1 87.1 11 14 A E T 34 S+ 0 0 134 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.634 109.5 45.2 -75.7 -14.2 12.5 -7.1 89.1 12 15 A H T X4 S+ 0 0 59 -3,-3.0 3,-1.9 1,-0.1 4,-0.5 0.611 87.5 88.9 -97.5 -18.7 14.6 -4.6 87.1 13 16 A W G >X S+ 0 0 4 -4,-0.8 4,-2.3 -3,-0.4 3,-1.1 0.801 74.6 67.9 -56.6 -31.7 12.3 -1.6 87.2 14 17 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.715 86.6 69.4 -64.8 -20.1 13.7 -0.2 90.4 15 18 A K G <4 S+ 0 0 134 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.883 117.1 21.4 -68.6 -37.4 17.0 0.6 88.8 16 19 A D T <4 S+ 0 0 120 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.667 135.2 39.7 -95.3 -24.3 15.5 3.4 86.7 17 20 A F >< - 0 0 45 -4,-2.3 3,-2.4 1,-0.1 -1,-0.2 -0.773 63.6-178.5-131.7 81.8 12.4 4.0 88.9 18 21 A P G > S+ 0 0 101 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.740 78.1 69.8 -60.1 -22.7 13.3 3.8 92.6 19 22 A I G > S+ 0 0 56 1,-0.3 3,-2.6 179,-0.2 -5,-0.1 0.703 77.6 81.5 -68.0 -16.2 9.8 4.3 93.7 20 23 A a G < S+ 0 0 5 -3,-2.4 -1,-0.3 1,-0.3 -6,-0.1 0.715 94.6 47.1 -65.4 -14.1 9.0 0.9 92.3 21 24 A K G < S+ 0 0 132 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.056 95.0 129.2-107.4 27.1 10.5 -0.3 95.7 22 25 A G S < S- 0 0 15 -3,-2.6 3,-0.5 177,-0.1 -3,-0.1 0.080 73.0 -98.5 -77.4-172.4 8.4 2.2 97.7 23 26 A E S S+ 0 0 124 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.554 114.0 39.0 -85.1 -12.7 6.1 1.9 100.7 24 27 A R S S+ 0 0 49 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.323 79.4 156.8-137.3 58.2 2.8 1.8 98.9 25 28 A Q - 0 0 3 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.475 30.2-101.9 -89.1 154.4 3.3 -0.3 95.7 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.917 78.1 39.3-128.2 157.6 0.7 -2.2 93.7 27 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.606 67.4 177.9 -78.2-179.0 -0.6 -4.7 93.0 28 31 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.900 36.6 -97.8-136.8 160.5 -0.9 -6.6 96.2 29 32 A D E -a 105 0A 27 216,-0.4 2,-0.9 -2,-0.3 77,-0.2 -0.726 35.1-138.3 -74.0 133.0 -2.3 -9.9 97.3 30 33 A I E -a 106 0A 0 75,-3.2 77,-2.4 -2,-0.4 2,-1.0 -0.829 11.5-159.1 -96.6 101.8 -5.8 -9.4 98.8 31 34 A D >> - 0 0 63 -2,-0.9 4,-1.5 75,-0.2 3,-0.9 -0.742 3.9-162.1 -82.1 106.9 -6.0 -11.6 101.9 32 35 A T T 34 S+ 0 0 46 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.723 84.8 55.5 -69.6 -19.7 -9.8 -11.9 102.2 33 36 A H T 34 S+ 0 0 165 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.806 112.2 40.0 -85.1 -25.4 -9.6 -13.0 105.8 34 37 A T T <4 S+ 0 0 101 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.601 89.2 103.9 -98.8 -13.8 -7.5 -10.0 107.0 35 38 A A < - 0 0 17 -4,-1.5 2,-0.5 216,-0.1 218,-0.2 -0.446 70.0-134.6 -62.5 140.7 -9.3 -7.3 105.0 36 39 A K E -c 253 0B 127 216,-2.1 218,-2.4 -2,-0.1 2,-0.2 -0.875 6.2-122.9-109.9 131.2 -11.6 -5.4 107.3 37 40 A Y E -c 254 0B 76 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.478 25.3-160.8 -62.4 130.1 -15.2 -4.5 106.6 38 41 A D > - 0 0 23 216,-2.4 3,-2.1 -2,-0.2 -1,-0.1 -0.870 10.6-168.6-120.3 101.2 -15.5 -0.8 107.0 39 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.603 83.6 67.5 -66.2 -11.8 -19.2 0.3 107.5 40 43 A S T 3 S+ 0 0 89 2,-0.1 2,-0.2 -3,-0.1 215,-0.1 0.611 74.2 106.3 -81.3 -15.8 -18.2 4.0 106.9 41 44 A L < - 0 0 29 -3,-2.1 3,-0.1 213,-0.2 38,-0.0 -0.480 68.3-135.8 -64.1 132.4 -17.4 3.3 103.2 42 45 A K - 0 0 113 37,-1.2 39,-0.1 -2,-0.2 3,-0.1 -0.419 31.3 -84.7 -80.9 161.6 -20.1 4.8 101.0 43 46 A P - 0 0 111 0, 0.0 36,-1.6 0, 0.0 -1,-0.1 -0.383 51.5-104.2 -61.7 149.0 -21.5 2.9 98.0 44 47 A L E -D 78 0B 17 34,-0.3 2,-0.5 141,-0.2 34,-0.2 -0.457 28.6-149.5 -71.8 144.7 -19.5 3.2 94.8 45 48 A S E -D 77 0B 43 32,-2.8 32,-2.3 -2,-0.1 2,-0.6 -0.952 15.8-179.5-119.6 110.0 -21.0 5.6 92.2 46 49 A V E +D 76 0B 34 -2,-0.5 2,-0.6 30,-0.2 30,-0.2 -0.942 1.1 179.0-106.9 112.8 -20.1 4.6 88.7 47 50 A S E +D 75 0B 57 28,-2.8 28,-2.1 -2,-0.6 3,-0.2 -0.811 21.6 143.9-119.8 92.5 -21.6 7.0 86.2 48 51 A Y > + 0 0 5 -2,-0.6 3,-1.9 26,-0.2 130,-0.2 0.266 33.5 110.4-112.2 10.2 -20.7 6.0 82.7 49 52 A D T 3 S+ 0 0 99 1,-0.3 -1,-0.1 127,-0.1 25,-0.1 0.797 86.4 38.1 -60.8 -32.1 -23.9 6.9 80.8 50 53 A Q T 3 S+ 0 0 129 23,-1.0 -1,-0.3 -3,-0.2 24,-0.2 0.165 84.2 146.3-107.3 19.1 -22.3 9.9 78.9 51 54 A A < - 0 0 22 -3,-1.9 2,-0.5 22,-0.1 18,-0.1 -0.239 32.5-159.8 -56.8 138.0 -18.9 8.2 78.4 52 55 A T - 0 0 47 16,-0.3 16,-2.5 122,-0.1 2,-0.1 -0.876 4.1-165.3-123.8 98.3 -17.2 9.1 75.1 53 56 A S E +E 67 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.489 11.4 173.6 -76.2 152.7 -14.6 6.7 73.9 54 57 A L E - 0 0 80 12,-3.2 118,-2.5 1,-0.4 2,-0.3 0.695 50.2 -1.7-122.1 -41.5 -12.3 8.0 71.2 55 58 A R E -EF 66 171B 84 11,-1.1 11,-2.9 116,-0.3 2,-0.4 -0.973 45.6-136.9-157.7 154.4 -9.5 5.7 70.3 56 59 A I E -EF 65 170B 0 114,-2.4 114,-2.3 -2,-0.3 2,-0.4 -0.996 27.4-171.9-124.8 136.9 -7.7 2.4 71.1 57 60 A L E -EF 64 169B 31 7,-2.2 7,-2.5 -2,-0.4 2,-0.7 -0.987 25.7-146.0-134.1 132.5 -3.9 2.4 71.2 58 61 A N E +E 63 0B 0 110,-2.7 109,-3.2 -2,-0.4 5,-0.2 -0.868 22.6 178.5 -90.2 111.8 -1.3 -0.3 71.4 59 62 A N - 0 0 33 3,-2.0 4,-0.1 -2,-0.7 -1,-0.1 0.257 54.0 -98.1-103.4 12.8 1.4 1.4 73.5 60 63 A G S S+ 0 0 15 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.297 118.2 50.8 91.4 -10.9 3.8 -1.5 73.7 61 64 A H S S- 0 0 53 1,-0.5 2,-0.3 -58,-0.1 166,-0.1 0.519 124.5 -23.6-128.1 -18.6 2.8 -2.8 77.1 62 65 A A - 0 0 2 -5,-0.1 -3,-2.0 165,-0.1 -2,-0.5 -0.901 69.6 -92.6-163.4-172.9 -1.0 -3.0 76.8 63 66 A F E -E 58 0B 0 -2,-0.3 29,-0.5 29,-0.2 2,-0.5 -0.989 34.7-154.6-115.4 133.6 -3.8 -1.5 74.7 64 67 A N E -E 57 0B 21 -7,-2.5 -7,-2.2 -2,-0.4 2,-0.7 -0.927 9.9-153.4-106.1 131.3 -5.7 1.5 76.0 65 68 A V E -EG 56 90B 0 25,-2.6 25,-2.2 -2,-0.5 2,-0.3 -0.928 29.9-153.5 -96.9 116.3 -9.2 2.5 75.2 66 69 A E E -EG 55 89B 46 -11,-2.9 -12,-3.2 -2,-0.7 -11,-1.1 -0.722 10.0-158.8-101.9 146.7 -9.1 6.2 75.7 67 70 A F E -E 53 0B 9 21,-2.8 2,-0.8 -2,-0.3 -14,-0.2 -0.829 31.1 -99.7-121.3 155.7 -11.9 8.5 76.5 68 71 A D + 0 0 36 -16,-2.5 -16,-0.3 -2,-0.3 3,-0.3 -0.685 40.8 174.0 -70.3 107.5 -12.7 12.3 76.2 69 72 A D + 0 0 42 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 0.003 48.0 103.8-108.6 26.7 -11.9 13.4 79.7 70 73 A S S S+ 0 0 80 56,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.473 87.3 28.2 -86.6 -3.2 -12.4 17.2 79.0 71 74 A Q S S- 0 0 117 -3,-0.3 2,-1.4 3,-0.0 3,-0.4 -0.948 99.2 -89.5-143.8 163.0 -15.8 17.2 80.7 72 75 A D S S+ 0 0 93 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.643 76.8 128.1 -73.3 92.4 -17.5 15.3 83.5 73 76 A K S S+ 0 0 47 -2,-1.4 -23,-1.0 1,-0.3 2,-0.4 0.648 71.8 24.1-118.1 -36.2 -18.9 12.6 81.3 74 77 A A S S+ 0 0 5 -3,-0.4 13,-2.9 -24,-0.2 2,-0.4 -0.906 82.4 170.6-138.3 104.1 -17.8 9.3 82.8 75 78 A V E -DH 47 86B 11 -28,-2.1 -28,-2.8 -2,-0.4 2,-0.4 -0.917 28.6-153.0-129.6 148.8 -17.1 9.6 86.5 76 79 A L E +DH 46 85B 0 9,-2.9 9,-2.4 -2,-0.4 2,-0.3 -0.936 32.0 148.5-111.0 132.2 -16.3 7.5 89.6 77 80 A K E +D 45 0B 79 -32,-2.3 -32,-2.8 -2,-0.4 7,-0.1 -0.943 33.3 40.3-151.9 175.7 -17.2 8.8 93.0 78 81 A G E > S+D 44 0B 15 5,-0.5 3,-2.4 3,-0.3 -34,-0.3 -0.373 72.5 82.3 79.2-158.8 -18.3 7.6 96.4 79 82 A G T 3 S- 0 0 3 -36,-1.6 -37,-1.2 1,-0.3 -1,-0.1 -0.394 122.2 -21.1 55.9-130.6 -16.9 4.5 98.1 80 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.515 116.3 109.3 -82.5 -3.4 -13.6 5.6 99.7 81 84 A L < - 0 0 5 -3,-2.4 2,-0.5 -39,-0.1 -3,-0.3 -0.483 55.8-152.5 -87.6 145.1 -13.2 8.6 97.4 82 85 A D - 0 0 126 -2,-0.2 2,-0.1 -5,-0.1 -1,-0.0 -0.940 69.4 -10.5-103.8 128.4 -13.6 12.3 98.2 83 86 A G S S- 0 0 52 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.366 99.9 -41.6 82.1-160.5 -14.7 14.3 95.2 84 87 A T - 0 0 26 -7,-0.1 38,-2.5 -2,-0.1 2,-0.5 -0.889 40.1-162.1-121.6 132.7 -15.0 13.3 91.5 85 88 A Y E -HI 76 121B 5 -9,-2.4 -9,-2.9 -2,-0.4 2,-0.4 -0.963 13.8-144.1-117.6 128.8 -12.7 11.2 89.4 86 89 A R E -HI 75 120B 45 34,-2.9 34,-2.2 -2,-0.5 2,-0.3 -0.772 18.7-118.3 -95.7 133.0 -12.9 11.2 85.5 87 90 A L E + I 0 119B 2 -13,-2.9 32,-0.3 -2,-0.4 -13,-0.1 -0.490 37.4 165.2 -66.1 127.5 -12.4 8.2 83.3 88 91 A I E - 0 0 35 30,-2.9 -21,-2.8 1,-0.4 2,-0.3 0.751 60.7 -23.3-110.7 -40.4 -9.4 8.7 81.0 89 92 A Q E -GI 66 118B 29 29,-1.2 29,-3.0 -23,-0.3 -1,-0.4 -0.988 47.4-144.2-161.1 160.6 -8.7 5.1 79.8 90 93 A F E +GI 65 117B 0 -25,-2.2 -25,-2.6 -2,-0.3 2,-0.3 -0.972 23.2 162.6-127.3 156.4 -9.0 1.5 80.5 91 94 A H E - I 0 116B 22 25,-1.9 25,-3.1 -2,-0.3 2,-0.3 -0.925 23.1-126.5-153.4 175.8 -6.7 -1.4 79.7 92 95 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.2 -0.868 0.4-149.4-127.2 162.4 -6.0 -5.0 80.7 93 96 A H E + I 0 114B 3 21,-2.0 21,-2.3 -2,-0.3 2,-0.3 -0.983 31.2 169.0-124.8 138.7 -3.2 -7.2 81.9 94 97 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.9 -0.953 23.9-117.6-149.9 168.4 -3.3 -10.8 80.9 95 98 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.407 23.6-120.6-103.0 176.0 -1.4 -14.1 80.8 96 99 A S S S+ 0 0 43 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.590 106.1 31.3 -83.6 -15.1 0.1 -16.5 78.3 97 100 A L S > S- 0 0 105 3,-0.2 3,-1.5 15,-0.1 -2,-0.2 -0.956 89.4-112.1-138.3 156.6 -2.1 -19.1 80.0 98 101 A D T 3 S+ 0 0 75 -2,-0.3 48,-0.1 1,-0.3 15,-0.1 0.766 108.8 71.7 -62.6 -23.0 -5.5 -19.0 81.7 99 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.447 107.2 23.6 -76.4 2.8 -3.9 -19.7 85.1 100 103 A Q < + 0 0 52 -3,-1.5 -5,-0.6 12,-0.1 -3,-0.2 -0.967 65.0 102.3-156.6 168.2 -2.2 -16.3 85.4 101 104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.003 53.9 107.2 142.2 -33.7 -2.6 -12.8 84.1 102 105 A S - 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