==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 01-AUG-11 3T85 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.HOFMANN,C.K.WANG . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.8 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 . 0 0.0 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 . 29 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 7.0 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 . 2 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 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-150.4 31.1 2.4 8.8 2 5 A W + 0 0 42 1,-0.1 2,-0.2 2,-0.0 7,-0.2 -0.271 360.0 133.7 -76.9 154.1 28.8 0.5 11.2 3 6 A G - 0 0 6 5,-2.5 10,-0.1 2,-0.1 -1,-0.1 -0.771 60.1 -87.5-162.2-147.8 26.7 -2.6 10.4 4 7 A Y S S+ 0 0 29 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.342 79.2 111.0-124.9 2.3 25.6 -6.0 11.5 5 8 A G S > S- 0 0 37 4,-0.1 4,-0.9 1,-0.1 -2,-0.1 0.007 86.1 -92.4 -68.7-179.5 28.3 -8.2 10.0 6 9 A K T 4 S+ 0 0 153 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.863 123.7 37.1 -63.9 -33.7 31.0 -10.1 11.9 7 10 A H T 4 S+ 0 0 161 1,-0.2 -1,-0.2 4,-0.0 0, 0.0 0.668 127.2 29.5-100.2 -16.4 33.5 -7.2 11.6 8 11 A N T 4 S+ 0 0 61 -6,-0.1 -5,-2.5 4,-0.0 -2,-0.2 0.183 93.7 123.6-124.7 15.2 31.3 -4.1 11.9 9 12 A G S >X S- 0 0 0 -4,-0.9 3,-2.8 -5,-0.2 4,-0.9 0.115 81.6 -73.1 -77.5-173.2 28.5 -5.4 14.1 10 13 A P T 34 S+ 0 0 20 0, 0.0 4,-0.5 0, 0.0 3,-0.2 0.745 125.5 64.9 -55.4 -28.0 27.1 -4.3 17.5 11 14 A E T 34 S+ 0 0 101 1,-0.2 -2,-0.1 2,-0.1 -5,-0.0 0.611 107.6 43.0 -69.8 -12.5 30.2 -5.7 19.4 12 15 A H T X> S+ 0 0 55 -3,-2.8 3,-2.4 1,-0.1 4,-0.5 0.681 86.5 89.6-103.8 -23.7 32.2 -3.0 17.6 13 16 A W H >X S+ 0 0 6 -4,-0.9 4,-2.9 1,-0.3 3,-0.6 0.786 74.8 70.2 -49.1 -35.2 30.0 0.0 17.9 14 17 A H H 34 S+ 0 0 66 -4,-0.5 -1,-0.3 1,-0.2 7,-0.1 0.744 89.3 63.9 -58.0 -22.4 31.5 1.1 21.2 15 18 A K H <4 S+ 0 0 132 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.943 118.5 23.7 -71.3 -45.2 34.8 2.1 19.5 16 19 A D H << S+ 0 0 107 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.723 135.5 39.0 -82.9 -25.7 33.1 4.8 17.4 17 20 A F >< - 0 0 44 -4,-2.9 3,-2.8 -5,-0.2 -1,-0.2 -0.709 62.7-179.0-133.6 81.1 30.2 5.3 19.8 18 21 A P G > S+ 0 0 103 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.734 78.1 74.4 -56.9 -26.5 31.3 5.1 23.5 19 22 A I G > S+ 0 0 54 1,-0.3 3,-3.0 2,-0.2 5,-0.2 0.696 71.8 88.9 -62.0 -14.9 27.8 5.6 24.6 20 23 A A G < S+ 0 0 5 -3,-2.8 -1,-0.3 1,-0.3 -6,-0.1 0.763 92.5 42.9 -49.5 -29.0 27.2 2.0 23.5 21 24 A K G < S+ 0 0 142 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.049 100.2 134.7-103.5 24.1 28.3 1.1 27.0 22 25 A G S X S- 0 0 17 -3,-3.0 3,-0.6 1,-0.1 -3,-0.1 0.189 70.8 -91.8 -76.2-172.5 26.2 3.8 28.5 23 26 A E T 3 S+ 0 0 99 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.759 115.5 21.7 -71.7 -28.8 23.7 4.3 31.4 24 27 A R T 3 S+ 0 0 32 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.406 79.7 162.3-144.7 61.0 20.5 3.5 29.5 25 28 A Q < - 0 0 4 -3,-0.6 220,-0.2 221,-0.3 170,-0.1 -0.491 28.9 -97.7 -85.4 154.0 21.1 1.5 26.3 26 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 78,-0.1 -0.909 78.2 36.9-127.8 156.3 18.6 -0.5 24.3 27 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.573 66.1 174.1 -84.6-176.1 17.3 -3.0 23.7 28 31 A V B -a 245 0A 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.5 -0.884 38.1 -93.6-140.1 167.6 17.0 -5.0 26.9 29 32 A D E -b 105 0B 28 216,-0.5 2,-0.9 -2,-0.3 77,-0.2 -0.783 35.3-139.1 -85.1 128.5 15.5 -8.2 28.1 30 33 A I E -b 106 0B 0 75,-3.5 77,-2.7 -2,-0.5 2,-1.0 -0.803 11.1-159.6 -91.0 105.9 12.0 -7.7 29.5 31 34 A D >> - 0 0 66 -2,-0.9 3,-2.1 75,-0.2 4,-1.5 -0.771 2.6-159.7 -85.0 101.2 11.7 -9.9 32.6 32 35 A T T 34 S+ 0 0 43 -2,-1.0 -1,-0.2 1,-0.3 222,-0.0 0.731 89.2 52.5 -55.7 -23.8 7.9 -10.1 32.9 33 36 A H T 34 S+ 0 0 165 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.426 110.1 45.5 -96.7 -0.0 8.2 -11.1 36.6 34 37 A T T <4 S+ 0 0 100 -3,-2.1 -2,-0.2 2,-0.0 -1,-0.2 0.532 89.1 103.5-111.0 -16.7 10.4 -8.1 37.6 35 38 A A < - 0 0 22 -4,-1.5 2,-0.6 216,-0.1 218,-0.2 -0.419 67.9-134.8 -66.5 143.8 8.3 -5.5 35.8 36 39 A K E -d 253 0C 127 216,-2.0 218,-2.2 -2,-0.1 -1,-0.1 -0.899 9.6-127.4-111.7 116.9 6.1 -3.4 38.0 37 40 A Y E -d 254 0C 80 -2,-0.6 218,-0.2 216,-0.2 220,-0.1 -0.368 24.2-156.2 -54.3 134.6 2.5 -2.6 37.2 38 41 A D > - 0 0 30 216,-2.4 3,-2.3 1,-0.1 -1,-0.1 -0.831 14.0-171.3-127.9 93.6 2.1 1.1 37.4 39 42 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.646 82.7 66.8 -60.8 -16.7 -1.6 2.2 38.1 40 43 A S T 3 S+ 0 0 96 2,-0.1 2,-0.2 40,-0.0 215,-0.1 0.500 73.0 109.0 -85.1 -4.8 -0.6 5.9 37.5 41 44 A L < - 0 0 32 -3,-2.3 3,-0.1 213,-0.2 38,-0.0 -0.538 68.4-132.6 -70.1 137.1 0.1 5.3 33.8 42 45 A K - 0 0 132 37,-1.5 37,-0.4 -2,-0.2 39,-0.1 -0.500 38.0 -80.4 -82.2 159.2 -2.6 6.9 31.7 43 46 A P - 0 0 109 0, 0.0 36,-1.0 0, 0.0 2,-0.2 -0.330 52.6-106.9 -58.1 144.0 -4.1 4.9 28.8 44 47 A L E -E 78 0C 22 34,-0.3 2,-0.6 141,-0.1 34,-0.2 -0.537 32.2-154.1 -70.8 137.1 -1.9 4.9 25.7 45 48 A S E -E 77 0C 50 32,-3.2 32,-2.5 -2,-0.2 2,-0.6 -0.914 12.8-176.7-120.4 106.0 -3.3 7.0 22.9 46 49 A V E -E 76 0C 32 -2,-0.6 2,-0.6 30,-0.2 30,-0.2 -0.902 3.1-177.7-100.6 116.1 -2.4 6.2 19.3 47 50 A S E +E 75 0C 56 28,-2.8 28,-2.0 -2,-0.6 3,-0.3 -0.742 23.1 145.8-118.3 84.0 -3.9 8.7 16.9 48 51 A Y > + 0 0 4 -2,-0.6 3,-0.8 26,-0.2 130,-0.2 -0.017 33.2 113.2-108.7 26.8 -3.0 7.6 13.4 49 52 A D T 3 S+ 0 0 108 1,-0.2 -1,-0.2 24,-0.1 25,-0.1 0.850 83.5 35.3 -71.6 -36.5 -6.1 8.9 11.7 50 53 A Q T 3 S+ 0 0 130 23,-1.2 -1,-0.2 -3,-0.3 24,-0.2 0.175 86.0 152.1-102.1 18.6 -4.6 11.6 9.6 51 54 A A < - 0 0 23 -3,-0.8 2,-0.5 22,-0.2 123,-0.1 -0.163 28.2-161.9 -56.8 134.9 -1.3 9.7 9.0 52 55 A T - 0 0 47 16,-0.3 16,-2.9 122,-0.1 2,-0.2 -0.868 2.1-165.6-126.5 98.6 0.4 10.6 5.7 53 56 A S E +F 67 0C 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.2 -0.541 11.1 173.4 -80.3 151.6 3.0 8.1 4.4 54 57 A L E - 0 0 76 12,-2.6 118,-2.1 1,-0.4 2,-0.3 0.712 51.6 -7.0-124.3 -47.7 5.3 9.4 1.7 55 58 A R E -FG 66 171C 87 11,-0.8 11,-2.7 116,-0.3 2,-0.4 -0.983 46.4-135.7-157.5 153.4 8.0 7.0 0.7 56 59 A I E -FG 65 170C 0 114,-2.7 114,-2.5 -2,-0.3 2,-0.4 -0.981 28.9-172.1-118.7 135.4 9.8 3.7 1.6 57 60 A L E -FG 64 169C 28 7,-1.9 7,-2.7 -2,-0.4 2,-0.7 -0.982 25.6-145.5-133.7 135.7 13.6 3.6 1.5 58 61 A N E +F 63 0C 0 110,-2.6 109,-2.9 -2,-0.4 5,-0.2 -0.895 21.3 177.1 -91.8 113.8 16.3 1.0 1.8 59 62 A N - 0 0 60 3,-1.8 4,-0.1 -2,-0.7 -1,-0.1 0.217 54.7-100.1-105.7 15.4 19.1 2.8 3.7 60 63 A G S S+ 0 0 6 2,-0.5 3,-0.1 166,-0.3 106,-0.1 0.381 117.3 55.7 86.2 -5.0 21.4 -0.2 3.9 61 64 A H S S- 0 0 46 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.582 123.4 -30.1-122.7 -32.8 20.5 -1.1 7.5 62 65 A A S S- 0 0 8 -5,-0.1 -3,-1.8 165,-0.1 -1,-0.6 -0.852 70.1 -90.7-161.2-170.9 16.7 -1.5 7.3 63 66 A F E -F 58 0C 0 -2,-0.3 2,-0.5 29,-0.2 29,-0.5 -0.993 35.0-150.0-120.1 138.8 13.8 -0.0 5.3 64 67 A N E -F 57 0C 20 -7,-2.7 -7,-1.9 -2,-0.4 2,-0.8 -0.911 10.7-158.0-111.0 121.9 12.0 3.1 6.4 65 68 A V E -FH 56 90C 0 25,-2.4 25,-1.9 -2,-0.5 2,-0.3 -0.876 30.3-153.2 -88.1 114.2 8.4 4.0 5.7 66 69 A E E -FH 55 89C 48 -11,-2.7 -12,-2.6 -2,-0.8 -11,-0.8 -0.659 8.9-156.7 -97.4 146.2 8.5 7.7 6.1 67 70 A F E -F 53 0C 6 21,-2.7 2,-0.7 -2,-0.3 -14,-0.2 -0.875 28.3-104.2-122.3 151.6 5.7 10.0 7.2 68 71 A D + 0 0 39 -16,-2.9 -16,-0.3 -2,-0.3 5,-0.3 -0.638 41.1 170.8 -70.3 111.3 4.8 13.6 6.8 69 72 A D + 0 0 40 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 -0.087 43.1 110.0-118.2 33.3 5.6 15.1 10.2 70 73 A S S S+ 0 0 79 1,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.436 90.5 22.1 -80.9 -1.7 5.3 18.8 9.3 71 74 A Q S S- 0 0 113 -3,-0.2 2,-2.8 3,-0.1 3,-0.5 -0.972 99.3 -85.7-157.2 164.3 2.1 18.7 11.5 72 75 A D S S+ 0 0 83 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.240 74.8 132.9 -71.0 54.0 0.4 16.7 14.2 73 76 A K S S+ 0 0 51 -2,-2.8 -23,-1.2 1,-0.3 2,-0.4 0.920 75.5 18.2 -74.0 -45.3 -1.1 14.2 11.7 74 77 A A S S+ 0 0 4 -3,-0.5 13,-3.2 -6,-0.2 -1,-0.3 -0.957 84.0 169.7-131.5 111.5 -0.2 11.0 13.4 75 78 A V E -EI 47 86C 13 -28,-2.0 -28,-2.8 -2,-0.4 2,-0.4 -0.822 28.8-146.0-127.3 161.0 0.7 11.2 17.1 76 79 A L E +EI 46 85C 0 9,-2.6 9,-2.1 -2,-0.3 2,-0.3 -0.988 32.1 155.3-121.2 132.2 1.3 9.1 20.2 77 80 A K E +E 45 0C 76 -32,-2.5 -32,-3.2 -2,-0.4 7,-0.1 -0.914 33.6 35.3-144.5 175.5 0.3 10.4 23.6 78 81 A G E > S+E 44 0C 9 3,-0.4 3,-2.6 5,-0.4 -34,-0.3 -0.373 73.0 82.6 78.3-157.4 -0.7 9.1 27.0 79 82 A G T 3 S- 0 0 7 -36,-1.0 -37,-1.5 -37,-0.4 -1,-0.1 -0.404 122.9 -26.0 57.0-126.6 0.9 6.1 28.7 80 83 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.410 113.9 114.2 -91.9 -1.3 4.1 7.3 30.3 81 84 A L < - 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