==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 08-MAR-10 3M2N . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.GRAZULIS,E.MANAKOVA,D.GOLOVENKO . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 62.8 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 21.7 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 . 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 . 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 3 A H 0 0 188 0, 0.0 2,-0.2 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 58.2 13.3 -1.0 7.5 2 4 A H - 0 0 103 1,-0.2 12,-0.0 15,-0.0 0, 0.0 -0.548 360.0 -65.2 -97.4-179.1 10.1 0.2 9.1 3 5 A W + 0 0 42 -2,-0.2 2,-0.2 1,-0.1 7,-0.2 0.043 62.2 130.6 -67.4 152.1 7.6 -1.5 11.3 4 6 A G - 0 0 7 5,-2.7 10,-0.1 2,-0.1 -1,-0.1 -0.768 62.1 -98.0-162.0-140.3 5.4 -4.3 10.3 5 7 A Y S S+ 0 0 29 5,-0.2 5,-0.3 -2,-0.2 3,-0.1 0.506 82.8 103.2-129.6 -10.5 4.4 -7.7 11.7 6 8 A G S >> S- 0 0 43 1,-0.2 4,-0.9 3,-0.1 3,-0.7 0.238 90.2 -71.3 -59.4-172.1 6.8 -10.0 9.6 7 9 A K T 34 S+ 0 0 177 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 -0.635 124.1 29.8 -71.8 148.4 9.9 -11.5 10.9 8 10 A H T 34 S+ 0 0 119 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.136 130.3 32.8 101.6 -20.6 12.4 -8.7 11.3 9 11 A N T <4 S+ 0 0 40 -3,-0.7 -5,-2.7 -6,-0.1 -2,-0.2 0.288 85.0 120.5-152.4 14.4 10.0 -5.9 12.0 10 12 A G S >X S- 0 0 5 -4,-0.9 3,-2.9 -5,-0.3 4,-0.8 0.109 81.4 -61.8 -82.5-170.1 6.9 -7.2 14.0 11 13 A P G >4 S+ 0 0 24 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.782 127.8 58.8 -50.3 -36.4 5.6 -6.3 17.4 12 14 A E G 34 S+ 0 0 147 1,-0.2 3,-0.1 2,-0.1 -7,-0.0 0.664 108.8 49.2 -72.2 -9.0 8.6 -7.3 19.5 13 15 A H G X> S+ 0 0 72 -3,-2.9 3,-1.9 1,-0.1 4,-0.6 0.641 85.1 87.4 -97.0 -13.8 10.7 -4.9 17.5 14 16 A W H < - 0 0 41 -4,-2.3 3,-2.6 1,-0.1 -1,-0.2 -0.777 64.2-179.7-136.7 77.0 8.5 3.6 19.6 19 21 A P G > S+ 0 0 98 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.751 75.7 75.7 -57.5 -26.1 9.7 3.3 23.1 20 22 A I G > S+ 0 0 67 1,-0.3 3,-2.5 179,-0.2 -5,-0.1 0.640 71.6 90.6 -61.8 -9.9 6.2 3.9 24.5 21 23 A A G < S+ 0 0 7 -3,-2.6 -1,-0.3 1,-0.3 -6,-0.1 0.752 89.9 44.1 -50.9 -27.1 5.7 0.2 23.3 22 24 A K G < S+ 0 0 142 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.042 97.6 127.9-109.4 26.7 6.8 -0.8 26.9 23 25 A G S < S- 0 0 11 -3,-2.5 3,-0.5 1,-0.1 -3,-0.0 0.168 72.4 -97.8 -79.3-170.6 4.6 1.9 28.5 24 26 A E S S+ 0 0 129 1,-0.2 227,-0.3 225,-0.1 226,-0.3 0.549 113.0 34.4 -90.8 -8.8 2.0 1.9 31.3 25 27 A R S S+ 0 0 49 224,-0.1 -1,-0.2 225,-0.1 2,-0.2 -0.288 79.3 155.3-144.1 55.0 -1.2 1.8 29.3 26 28 A Q - 0 0 2 -3,-0.5 220,-0.2 221,-0.4 170,-0.1 -0.534 33.4 -99.4 -86.2 156.1 -0.4 -0.3 26.2 27 29 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.0 -0.885 77.8 37.5-127.5 156.4 -3.0 -2.2 24.1 28 30 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.594 65.0 178.4 -79.6-178.9 -4.4 -4.8 23.5 29 31 A V - 0 0 1 216,-0.3 77,-1.3 -2,-0.2 2,-0.4 -0.927 35.9-101.1-140.0 160.4 -4.7 -6.8 26.8 30 32 A D E -a 106 0A 32 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.728 35.7-136.8 -81.8 136.6 -6.2 -10.1 27.8 31 33 A I E -a 107 0A 0 75,-3.0 77,-2.8 -2,-0.4 2,-0.9 -0.864 10.3-157.2 -99.1 107.9 -9.6 -9.6 29.4 32 34 A D >> - 0 0 69 -2,-0.8 4,-1.5 75,-0.2 3,-0.5 -0.805 6.2-163.5 -86.7 100.7 -9.8 -11.7 32.5 33 35 A T T 34 S+ 0 0 43 -2,-0.9 -1,-0.2 1,-0.2 222,-0.0 0.747 85.1 54.8 -65.9 -27.0 -13.7 -11.9 32.8 34 36 A H T 34 S+ 0 0 173 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.847 113.0 41.8 -75.9 -28.1 -13.6 -13.1 36.4 35 37 A T T <4 S+ 0 0 93 -3,-0.5 2,-0.2 2,-0.1 -2,-0.2 0.596 87.6 102.7 -90.4 -18.2 -11.4 -10.1 37.5 36 38 A A S < S- 0 0 15 -4,-1.5 2,-0.5 218,-0.1 218,-0.2 -0.522 73.0-133.4 -69.7 135.4 -13.3 -7.4 35.5 37 39 A K E -c 254 0B 139 216,-1.6 218,-2.6 -2,-0.2 2,-0.1 -0.763 9.8-121.5 -92.5 131.3 -15.5 -5.6 38.0 38 40 A Y E -c 255 0B 83 -2,-0.5 218,-0.2 216,-0.2 220,-0.1 -0.442 27.2-157.7 -60.6 135.8 -19.1 -4.8 37.2 39 41 A D > - 0 0 28 216,-2.6 3,-2.1 -2,-0.1 -1,-0.1 -0.899 13.0-169.7-125.4 97.4 -19.5 -1.0 37.4 40 42 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.654 85.3 65.1 -70.6 -7.5 -23.1 -0.1 38.0 41 43 A S T 3 S+ 0 0 85 2,-0.1 2,-0.2 40,-0.0 215,-0.1 0.536 79.0 103.8 -82.4 -13.6 -22.1 3.7 37.3 42 44 A L < - 0 0 29 -3,-2.1 3,-0.1 213,-0.2 38,-0.0 -0.508 67.8-137.6 -62.2 143.0 -21.2 2.8 33.7 43 45 A K - 0 0 130 37,-1.2 39,-0.1 -2,-0.2 -2,-0.1 -0.570 27.3 -85.9 -97.7 160.8 -23.9 3.9 31.2 44 46 A P - 0 0 113 0, 0.0 36,-2.0 0, 0.0 2,-0.2 -0.423 54.0-107.0 -54.9 140.9 -25.3 2.2 28.2 45 47 A L E -D 79 0B 13 141,-0.3 2,-0.6 34,-0.3 34,-0.2 -0.550 28.9-145.1 -67.6 142.4 -23.1 2.8 25.2 46 48 A S E -D 78 0B 36 32,-3.0 32,-2.1 -2,-0.2 2,-0.6 -0.944 18.4-179.3-113.6 114.3 -24.6 5.2 22.7 47 49 A V E -D 77 0B 32 -2,-0.6 2,-0.8 30,-0.2 30,-0.2 -0.933 2.3-179.2-117.2 107.1 -23.8 4.4 19.1 48 50 A S E +D 76 0B 39 28,-2.7 28,-1.4 -2,-0.6 3,-0.2 -0.790 22.9 144.9-113.2 84.4 -25.4 6.9 16.7 49 51 A Y > + 0 0 3 -2,-0.8 3,-1.9 26,-0.2 130,-0.2 0.408 33.9 108.7-104.0 4.9 -24.3 5.7 13.2 50 52 A D T 3 S+ 0 0 93 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.819 88.6 37.5 -49.4 -38.8 -27.6 6.6 11.2 51 53 A Q T 3 S+ 0 0 110 23,-0.2 -1,-0.3 -3,-0.2 24,-0.3 0.285 83.0 144.1-102.3 9.6 -25.8 9.6 9.4 52 54 A A < - 0 0 19 -3,-1.9 2,-0.5 22,-0.2 18,-0.1 -0.268 33.9-157.8 -49.0 131.8 -22.4 7.9 8.9 53 55 A T - 0 0 49 16,-0.3 16,-3.1 121,-0.1 2,-0.1 -0.906 2.9-161.9-118.3 98.8 -20.7 8.9 5.6 54 56 A S E +E 68 0B 2 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.468 12.8 174.2 -76.8 152.1 -18.1 6.6 4.3 55 57 A L E - 0 0 86 12,-3.6 118,-2.4 1,-0.4 2,-0.3 0.706 53.0 -7.5-117.5 -45.1 -15.7 8.0 1.7 56 58 A R E -EF 67 172B 82 11,-1.1 11,-3.5 116,-0.3 -1,-0.4 -0.989 46.0-134.3-158.9 154.2 -13.0 5.6 0.8 57 59 A I E -EF 66 171B 0 114,-2.9 114,-2.1 -2,-0.3 2,-0.4 -0.986 27.5-170.5-124.5 138.2 -11.2 2.3 1.6 58 60 A L E -EF 65 170B 34 7,-2.1 7,-2.6 -2,-0.4 2,-0.8 -0.982 25.9-146.7-134.9 129.9 -7.5 2.1 1.7 59 61 A N E +E 64 0B 0 110,-2.9 109,-2.4 -2,-0.4 5,-0.2 -0.865 22.1 179.6 -88.6 109.8 -4.9 -0.6 1.9 60 62 A N - 0 0 55 3,-2.0 -1,-0.1 -2,-0.8 4,-0.1 0.285 53.5-100.6 -99.2 15.3 -2.2 1.1 4.0 61 63 A G S S+ 0 0 5 2,-0.5 106,-0.1 166,-0.2 3,-0.1 0.379 117.1 54.2 81.1 -0.8 0.1 -1.9 4.0 62 64 A H S S- 0 0 45 1,-0.5 2,-0.2 -58,-0.1 -1,-0.1 0.667 124.4 -27.1-121.1 -45.6 -0.8 -3.1 7.5 63 65 A A S S- 0 0 7 -5,-0.1 -3,-2.0 31,-0.1 -1,-0.5 -0.689 71.5 -91.3-151.1-169.6 -4.6 -3.4 7.2 64 66 A F E -E 59 0B 0 29,-0.3 2,-0.5 -5,-0.2 29,-0.5 -0.992 34.0-151.8-119.2 137.3 -7.4 -1.8 5.2 65 67 A N E -E 58 0B 23 -7,-2.6 -7,-2.1 -2,-0.5 2,-0.6 -0.924 8.5-151.1-106.7 131.5 -9.2 1.3 6.5 66 68 A V E -EG 57 91B 0 25,-2.7 25,-2.0 -2,-0.5 2,-0.3 -0.903 29.9-152.0 -92.0 116.2 -12.8 2.2 5.7 67 69 A E E -EG 56 90B 39 -11,-3.5 -12,-3.6 -2,-0.6 -11,-1.1 -0.713 9.4-157.0-105.6 145.1 -12.6 6.1 6.0 68 70 A F E -E 54 0B 8 21,-2.8 2,-0.8 -2,-0.3 -14,-0.2 -0.857 27.4-110.8-115.6 151.1 -15.5 8.4 7.0 69 71 A D + 0 0 50 -16,-3.1 -16,-0.3 -2,-0.3 3,-0.3 -0.739 37.5 175.6 -76.1 112.9 -16.2 12.1 6.4 70 72 A D + 0 0 43 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 -0.043 45.2 108.8-109.1 28.8 -15.8 13.4 9.9 71 73 A S S S+ 0 0 85 2,-0.1 2,-0.3 56,-0.0 -1,-0.2 0.533 80.0 39.8 -84.9 -7.8 -16.3 17.1 9.0 72 74 A Q S S- 0 0 111 -3,-0.3 2,-1.8 3,-0.0 3,-0.2 -0.899 100.9 -88.3-134.0 172.9 -19.7 17.3 10.6 73 75 A D S S+ 0 0 120 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.530 83.0 114.8 -81.4 81.1 -21.4 16.0 13.7 74 76 A K + 0 0 59 -2,-1.8 2,-1.3 1,-0.2 -22,-0.2 0.630 60.9 32.5-115.7 -95.2 -22.6 12.6 12.2 75 77 A A S S+ 0 0 4 -24,-0.3 13,-3.4 13,-0.2 2,-0.3 -0.541 79.7 168.5 -74.0 87.3 -21.4 9.1 13.3 76 78 A V E -DH 48 87B 12 -28,-1.4 -28,-2.7 -2,-1.3 2,-0.4 -0.750 30.8-154.5-111.9 159.6 -20.7 9.5 17.0 77 79 A L E +DH 47 86B 0 9,-2.7 9,-2.3 -2,-0.3 2,-0.3 -0.985 31.4 144.2-121.6 134.6 -20.1 7.4 20.1 78 80 A K E +D 46 0B 96 -32,-2.1 -32,-3.0 -2,-0.4 7,-0.1 -0.905 36.1 43.1-155.5-177.3 -20.9 8.6 23.6 79 81 A G E > S+D 45 0B 18 5,-0.5 3,-2.5 3,-0.3 -34,-0.3 -0.381 74.6 87.8 67.2-149.7 -22.2 7.4 26.9 80 82 A G T 3 S- 0 0 6 -36,-2.0 -37,-1.2 1,-0.3 -1,-0.1 -0.387 122.1 -27.6 56.9-132.9 -20.7 4.2 28.2 81 83 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.489 116.1 110.1 -87.2 2.9 -17.6 5.2 30.1 82 84 A L < - 0 0 16 -3,-2.5 2,-0.5 -39,-0.1 -3,-0.3 -0.502 56.0-151.2 -91.3 146.3 -17.1 8.4 28.0 83 85 A D S S- 0 0 135 -2,-0.2 -1,-0.0 -5,-0.1 2,-0.0 -0.904 73.1 -5.5-100.2 136.7 -17.5 12.0 28.9 84 86 A G S S- 0 0 50 -2,-0.5 -5,-0.5 38,-0.1 2,-0.4 -0.298 98.7 -50.9 75.1-167.4 -18.5 14.0 25.9 85 87 A T - 0 0 42 -7,-0.1 38,-2.4 -9,-0.0 2,-0.4 -0.889 38.1-159.5-124.4 139.9 -18.8 12.9 22.3 86 88 A Y E -HI 77 122B 5 -9,-2.3 -9,-2.7 -2,-0.4 2,-0.4 -0.989 14.5-138.4-125.3 136.2 -16.5 11.1 20.0 87 89 A R E -HI 76 121B 38 34,-3.4 34,-2.3 -2,-0.4 -11,-0.2 -0.748 18.1-118.6-102.0 130.2 -16.6 11.2 16.2 88 90 A L E + I 0 120B 2 -13,-3.4 32,-0.2 -2,-0.4 -13,-0.2 -0.464 38.3 162.4 -64.5 130.7 -16.1 8.2 13.9 89 91 A I E - 0 0 37 30,-2.6 -21,-2.8 1,-0.4 2,-0.3 0.681 60.0 -22.7-116.4 -37.6 -13.2 8.6 11.5 90 92 A Q E -GI 67 119B 32 29,-1.3 29,-3.2 -23,-0.2 -1,-0.4 -0.991 47.0-145.1-163.8 164.7 -12.4 5.1 10.3 91 93 A F E +GI 66 118B 0 -25,-2.0 -25,-2.7 -2,-0.3 2,-0.3 -0.975 21.8 162.1-132.0 159.4 -12.6 1.4 10.9 92 94 A H E - I 0 117B 23 25,-1.8 25,-3.1 -2,-0.3 2,-0.3 -0.919 23.8-126.0-159.8 175.9 -10.3 -1.5 10.2 93 95 A F E - I 0 116B 0 -29,-0.5 2,-0.4 -2,-0.3 -29,-0.3 -0.878 0.5-148.5-128.5 164.5 -9.7 -5.1 11.2 94 96 A H E + I 0 115B 3 21,-2.0 21,-2.2 -2,-0.3 2,-0.3 -0.968 32.2 170.0-127.2 132.9 -6.9 -7.3 12.6 95 97 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.8 -0.963 24.2-114.1-145.8 172.7 -6.9 -11.0 11.5 96 98 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.7 3,-0.1 -0.374 21.9-125.1 -98.4 169.4 -5.1 -14.3 11.5 97 99 A S S S+ 0 0 41 142,-0.2 2,-0.3 -2,-0.1 5,-0.1 0.576 105.7 30.3 -81.0 -14.4 -3.6 -16.7 9.0 98 100 A L S > S- 0 0 103 3,-0.3 3,-1.7 15,-0.1 -2,-0.2 -0.962 90.3-111.5-138.2 159.1 -5.8 -19.3 10.6 99 101 A D T 3 S+ 0 0 74 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.759 109.1 71.3 -70.1 -19.8 -9.2 -19.1 12.3 100 102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.420 107.0 25.5 -73.4 3.6 -7.6 -19.9 15.7 101 103 A Q < + 0 0 51 -3,-1.7 -5,-0.7 12,-0.1 -3,-0.3 -0.975 65.0 100.1-156.1 167.4 -5.9 -16.5 15.9 102 104 A G + 0 0 0 1,-0.6 13,-0.3 -2,-0.3 11,-0.2 0.070 53.2 108.0 143.9 -32.1 -6.2 -12.9 14.7 103 105 A S - 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