==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE (OXO-ACID) 24-JUL-96 1UGB . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.R.SCOLNICK,D.W.CHRISTIANSON . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11859.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.6 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 . 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 . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.8 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 . 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 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 3 A H 0 0 218 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0-134.7 13.5 -0.6 9.1 2 4 A H - 0 0 109 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.321 360.0-102.5 -65.1 143.9 9.8 0.3 8.9 3 5 A W + 0 0 35 2,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.283 57.7 139.5 -65.9 153.1 7.7 -1.4 11.6 4 6 A G - 0 0 11 5,-3.0 10,-0.1 2,-0.2 58,-0.1 -0.820 61.8 -86.5-165.2-156.7 5.5 -4.4 10.6 5 7 A Y S S+ 0 0 34 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.177 82.6 110.5-119.2 16.2 4.5 -7.8 11.9 6 8 A G S >> S- 0 0 27 1,-0.1 4,-2.0 4,-0.1 3,-0.8 -0.368 84.4 -94.5 -89.7 173.4 7.4 -9.9 10.6 7 9 A K T 34 S+ 0 0 181 1,-0.3 -1,-0.1 2,-0.2 5,-0.0 0.798 124.6 35.1 -53.3 -35.6 10.2 -11.7 12.4 8 10 A H T 34 S+ 0 0 162 1,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.591 132.2 25.7-100.7 -9.2 12.6 -8.7 11.9 9 11 A N T <4 S+ 0 0 54 -3,-0.8 -5,-3.0 -6,-0.1 -2,-0.2 0.190 93.5 118.1-138.4 16.9 10.2 -5.8 12.3 10 12 A G S >X S- 0 0 0 -4,-2.0 3,-3.2 -5,-0.2 4,-0.7 -0.105 82.4 -66.8 -79.5-177.2 7.3 -7.1 14.4 11 13 A P G >4 S+ 0 0 23 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.736 127.2 59.3 -37.4 -45.2 5.9 -6.1 17.9 12 14 A E G 34 S+ 0 0 118 1,-0.2 3,-0.1 2,-0.1 -5,-0.0 0.627 107.7 47.5 -67.9 -10.0 8.9 -7.2 19.8 13 15 A H G X4 S+ 0 0 55 -3,-3.2 3,-1.6 1,-0.1 4,-0.5 0.597 86.8 89.2-102.6 -16.2 11.1 -4.7 17.8 14 16 A W G XX S+ 0 0 4 -3,-0.8 4,-2.6 -4,-0.7 3,-1.4 0.821 72.2 69.6 -53.9 -37.6 8.8 -1.7 18.2 15 17 A H G 34 S+ 0 0 65 -4,-0.5 -1,-0.3 1,-0.3 7,-0.1 0.752 89.3 64.8 -56.2 -26.5 10.2 -0.4 21.4 16 18 A K G <4 S+ 0 0 132 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.862 117.0 25.6 -68.2 -32.9 13.5 0.6 19.6 17 19 A D T <4 S+ 0 0 108 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.2 0.700 136.0 33.6 -99.4 -24.4 11.7 3.2 17.5 18 20 A F >< - 0 0 59 -4,-2.6 3,-2.3 1,-0.1 -1,-0.2 -0.778 63.9-175.4-135.3 86.5 8.8 3.9 19.9 19 21 A P G > S+ 0 0 101 0, 0.0 3,-2.1 0, 0.0 -4,-0.1 0.738 77.8 77.6 -53.1 -26.6 10.0 3.6 23.5 20 22 A I G > S+ 0 0 60 1,-0.3 3,-2.8 2,-0.2 -5,-0.1 0.692 70.4 87.0 -61.2 -14.3 6.3 4.1 24.7 21 23 A A G < S+ 0 0 8 -3,-2.3 -1,-0.3 1,-0.3 -6,-0.1 0.723 90.6 47.2 -55.4 -26.0 5.8 0.4 23.7 22 24 A K G < S+ 0 0 140 -3,-2.1 -1,-0.3 -7,-0.1 -2,-0.2 0.034 93.5 130.0-104.3 24.2 7.0 -0.4 27.2 23 25 A G S < S- 0 0 15 -3,-2.8 3,-0.5 1,-0.1 -3,-0.0 -0.002 71.3-103.1 -72.1-177.5 4.8 2.2 28.9 24 26 A E S S+ 0 0 109 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.575 111.7 37.2 -82.8 -19.2 2.3 1.9 31.8 25 27 A R S S+ 0 0 49 224,-0.1 -1,-0.2 168,-0.1 2,-0.2 -0.323 78.4 151.8-134.1 59.4 -0.9 1.8 29.8 26 28 A Q - 0 0 4 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.529 33.5-100.6 -88.8 153.5 -0.3 -0.2 26.7 27 29 A S S S+ 0 0 0 168,-0.4 2,-0.2 -2,-0.2 -2,-0.0 -0.871 76.7 42.4-126.2 159.4 -2.9 -2.3 24.7 28 30 A P + 0 0 0 0, 0.0 218,-2.9 0, 0.0 2,-0.3 0.594 64.5 174.6 -81.6-179.6 -4.2 -4.8 24.0 29 31 A V - 0 0 1 216,-0.3 77,-1.1 -2,-0.2 2,-0.5 -0.908 36.3-100.2-140.4 166.3 -4.6 -6.8 27.3 30 32 A D E -a 106 0A 36 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.796 34.0-135.3 -91.2 131.4 -6.2 -10.0 28.4 31 33 A I E -a 107 0A 0 75,-3.2 77,-2.9 -2,-0.5 2,-1.1 -0.819 11.7-158.3 -92.6 108.4 -9.6 -9.5 30.0 32 34 A D >> - 0 0 63 -2,-0.8 3,-1.0 75,-0.2 4,-1.0 -0.798 4.0-162.5 -87.4 101.3 -9.8 -11.6 33.2 33 35 A T T 34 S+ 0 0 47 -2,-1.1 -1,-0.2 1,-0.2 222,-0.0 0.682 83.8 56.1 -60.6 -21.6 -13.6 -11.9 33.6 34 36 A H T 34 S+ 0 0 159 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.756 112.4 38.6 -85.0 -25.8 -13.3 -12.9 37.2 35 37 A T T <4 S+ 0 0 109 -3,-1.0 -2,-0.2 2,-0.1 2,-0.2 0.451 87.2 110.7-103.2 -0.7 -11.3 -10.0 38.4 36 38 A A S < S- 0 0 20 -4,-1.0 2,-0.6 216,-0.1 218,-0.2 -0.523 70.6-126.0 -70.0 139.2 -13.1 -7.3 36.3 37 39 A K E -c 254 0B 129 216,-2.4 218,-2.3 -2,-0.2 2,-0.3 -0.808 10.4-133.8 -95.7 118.3 -15.1 -5.1 38.6 38 40 A Y E -c 255 0B 127 -2,-0.6 218,-0.2 216,-0.2 151,-0.0 -0.542 24.8-158.4 -65.2 127.7 -18.8 -4.6 37.8 39 41 A D > - 0 0 30 216,-2.8 3,-1.2 -2,-0.3 -1,-0.0 -0.929 16.8-165.8-118.6 114.0 -19.4 -0.9 38.1 40 42 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.672 86.4 66.1 -67.1 -21.8 -23.0 0.3 38.7 41 43 A S T 3 S+ 0 0 87 2,-0.1 2,-0.2 40,-0.0 215,-0.1 0.679 73.3 105.9 -74.3 -22.8 -22.0 3.9 37.8 42 44 A L < - 0 0 29 -3,-1.2 3,-0.1 213,-0.2 213,-0.0 -0.464 64.5-144.5 -64.1 125.6 -21.3 3.1 34.1 43 45 A K - 0 0 127 37,-1.0 39,-0.1 -2,-0.2 -2,-0.1 -0.380 29.0 -86.7 -84.3 164.6 -24.1 4.4 31.9 44 46 A P - 0 0 112 0, 0.0 36,-1.6 0, 0.0 2,-0.2 -0.398 49.5-102.5 -69.5 155.4 -25.3 2.6 28.8 45 47 A L E -D 79 0B 19 141,-0.3 2,-0.5 34,-0.2 34,-0.2 -0.525 26.7-148.0 -76.2 148.5 -23.4 3.3 25.6 46 48 A S E -D 78 0B 41 32,-2.9 32,-1.9 -2,-0.2 2,-0.6 -0.951 15.5-177.5-122.5 109.3 -25.0 5.7 23.0 47 49 A V E -D 77 0B 35 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.929 3.4-179.8-108.9 110.8 -24.2 4.9 19.4 48 50 A S E +D 76 0B 39 28,-2.5 28,-1.8 -2,-0.6 3,-0.2 -0.815 23.5 142.7-113.1 92.4 -25.7 7.3 16.9 49 51 A Y > + 0 0 4 -2,-0.7 3,-1.1 26,-0.2 130,-0.2 0.185 34.6 105.1-113.2 14.7 -24.6 6.1 13.4 50 52 A D T 3 S+ 0 0 97 1,-0.2 -1,-0.1 128,-0.1 25,-0.1 0.768 86.3 43.0 -71.6 -20.4 -27.7 6.9 11.3 51 53 A Q T 3 S+ 0 0 123 23,-0.8 -1,-0.2 -3,-0.2 24,-0.2 0.260 83.9 144.0-105.0 12.2 -26.2 9.9 9.6 52 54 A A < - 0 0 24 -3,-1.1 2,-0.5 22,-0.2 123,-0.1 -0.186 34.1-159.7 -55.4 138.0 -22.8 8.3 9.0 53 55 A T - 0 0 47 16,-0.3 16,-3.0 122,-0.1 2,-0.2 -0.901 4.1-165.8-125.9 100.3 -21.0 9.2 5.7 54 56 A S E +E 68 0B 1 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.592 11.0 173.3 -82.6 148.8 -18.3 6.7 4.5 55 57 A L E - 0 0 80 12,-2.9 118,-2.4 1,-0.4 2,-0.3 0.748 50.7 -0.0-122.9 -43.3 -16.0 8.0 1.8 56 58 A R E -EF 67 172B 88 11,-0.9 11,-2.9 116,-0.3 2,-0.4 -0.972 45.6-140.4-153.8 157.4 -13.1 5.7 0.9 57 59 A I E -EF 66 171B 0 114,-2.5 114,-2.3 -2,-0.3 2,-0.4 -0.991 28.1-171.5-122.6 135.1 -11.4 2.3 1.7 58 60 A L E -EF 65 170B 31 7,-2.4 7,-2.2 -2,-0.4 2,-0.8 -0.981 27.5-141.8-136.9 141.0 -7.6 2.1 1.8 59 61 A N E -E 64 0B 0 110,-2.9 109,-2.4 -2,-0.4 5,-0.2 -0.861 22.6-179.4 -95.8 110.9 -4.8 -0.5 2.0 60 62 A N - 0 0 29 3,-2.0 4,-0.1 -2,-0.8 -1,-0.1 0.312 51.8-100.4 -96.7 8.9 -2.2 1.2 4.2 61 63 A G S S+ 0 0 12 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.211 118.0 52.0 94.9 -21.4 0.3 -1.6 4.2 62 64 A H S S- 0 0 52 1,-0.4 2,-0.3 -58,-0.1 166,-0.1 0.453 126.0 -37.0-123.0 -6.7 -0.6 -2.9 7.6 63 65 A G S S- 0 0 4 164,-0.1 -3,-2.0 165,-0.1 -2,-0.5 -0.933 70.8 -83.0 173.0-167.1 -4.4 -3.4 7.2 64 66 A F E -E 59 0B 0 29,-0.3 29,-0.5 -2,-0.3 2,-0.4 -0.970 31.4-155.7-127.3 143.4 -7.3 -1.6 5.5 65 67 A N E -E 58 0B 24 -7,-2.2 -7,-2.4 -2,-0.4 2,-0.6 -0.957 10.1-151.5-118.8 141.6 -9.3 1.4 6.8 66 68 A V E -EG 57 91B 0 25,-2.4 25,-1.7 -2,-0.4 2,-0.3 -0.956 28.5-151.8-104.4 119.9 -12.8 2.5 5.9 67 69 A E E -EG 56 90B 47 -11,-2.9 -12,-2.9 -2,-0.6 -11,-0.9 -0.764 9.1-159.2-100.1 150.6 -12.8 6.3 6.4 68 70 A F E -E 54 0B 9 21,-2.4 2,-0.8 -2,-0.3 -14,-0.2 -0.807 31.2 -99.8-124.0 156.0 -15.7 8.5 7.3 69 71 A D + 0 0 40 -16,-3.0 -16,-0.3 -2,-0.3 3,-0.3 -0.693 41.1 173.6 -76.1 108.6 -16.5 12.2 6.9 70 72 A D + 0 0 43 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.135 45.8 106.9-109.0 34.9 -15.8 13.6 10.4 71 73 A S S S+ 0 0 79 56,-0.0 2,-0.3 1,-0.0 -1,-0.2 0.483 88.0 24.1 -87.8 -5.4 -16.3 17.3 9.7 72 74 A Q S S- 0 0 116 -3,-0.3 2,-2.5 3,-0.1 3,-0.5 -0.955 98.9 -86.0-150.3 165.6 -19.6 17.3 11.6 73 75 A D S S+ 0 0 91 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 -0.352 77.5 128.0 -74.1 62.2 -21.3 15.3 14.4 74 76 A K S S+ 0 0 51 -2,-2.5 -23,-0.8 1,-0.3 2,-0.5 0.883 74.6 22.4 -85.5 -48.3 -22.7 12.7 12.0 75 77 A A S S+ 0 0 7 -3,-0.5 13,-2.8 -6,-0.2 2,-0.3 -0.958 85.7 165.3-123.6 108.4 -21.6 9.4 13.5 76 78 A V E -DH 48 87B 10 -28,-1.8 -28,-2.5 -2,-0.5 2,-0.4 -0.881 29.1-151.0-128.9 161.0 -20.9 9.8 17.2 77 79 A L E +DH 47 86B 0 9,-2.5 9,-2.1 -2,-0.3 2,-0.3 -0.972 28.4 149.2-127.2 135.9 -20.4 7.8 20.4 78 80 A K E +D 46 0B 80 -32,-1.9 -32,-2.9 -2,-0.4 7,-0.1 -0.937 34.3 47.5-153.7 175.5 -21.2 9.1 23.9 79 81 A G E > +D 45 0B 21 3,-0.4 3,-1.9 5,-0.3 -34,-0.2 -0.351 70.0 80.9 83.4-164.7 -22.3 7.7 27.2 80 82 A G T 3 S- 0 0 1 -36,-1.6 -37,-1.0 1,-0.3 -1,-0.1 -0.471 121.5 -24.7 63.6-134.3 -20.8 4.7 29.0 81 83 A P T 3 S+ 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.336 116.1 109.9 -91.3 8.4 -17.5 5.9 30.8 82 84 A L < - 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