==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 11-JUN-01 1JD0 . COMPND 2 MOLECULE: CARBONIC ANHYDRASE XII; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.WHITTINGTON,A.WAHEED,B.ULMASOV,G.N.SHAH,J.H.GRUBB,W.S.SL . 519 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 22.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 6 1.2 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 0.4 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 . 41 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 33 6.4 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 5 0 0 1 0 2 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 4 0 2 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 . 8 4 6 0 2 2 0 2 2 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 2 0 0 0 0 0 0 0 0 0 2 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 K 0 0 200 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 140.9 6.7 13.5 33.1 2 5 A W - 0 0 32 196,-0.1 2,-0.2 14,-0.0 7,-0.2 -0.943 360.0-179.8-137.1 158.4 6.5 9.8 32.0 3 6 A T - 0 0 49 5,-2.3 10,-0.1 -2,-0.3 3,-0.1 -0.803 37.7-116.4-142.7-177.0 6.7 6.4 33.6 4 7 A Y S S+ 0 0 24 -2,-0.2 2,-0.3 5,-0.2 5,-0.1 0.306 98.5 34.5-106.9 2.2 6.5 2.6 32.8 5 8 A F S S+ 0 0 141 4,-0.1 3,-0.4 5,-0.0 -1,-0.2 -0.976 99.0 20.4-156.2 143.4 3.3 2.0 34.7 6 9 A G S > S- 0 0 18 -2,-0.3 3,-2.6 1,-0.2 -3,-0.1 -0.456 109.0 -25.3 97.9-171.2 0.2 4.0 35.4 7 10 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 274,-0.0 0.756 140.4 44.7 -49.8 -33.1 -1.6 7.0 33.7 8 11 A D T 3 S+ 0 0 75 -3,-0.4 -5,-2.3 3,-0.0 -2,-0.1 0.117 92.5 128.5-102.3 21.7 1.7 8.2 32.3 9 12 A G S X> S- 0 0 6 -3,-2.6 3,-2.3 272,-0.3 4,-0.6 0.032 78.9 -77.6 -68.6-179.8 2.8 4.7 31.2 10 13 A E G >4 S+ 0 0 20 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.728 125.8 60.5 -55.5 -29.9 4.0 3.6 27.7 11 14 A N G 34 S+ 0 0 28 1,-0.2 263,-0.5 2,-0.1 -1,-0.3 0.640 111.0 44.1 -74.0 -10.6 0.5 3.5 26.1 12 15 A S G X> S+ 0 0 9 -3,-2.3 3,-1.7 269,-0.1 4,-0.6 0.456 82.9 95.4-109.6 -5.0 0.3 7.3 26.9 13 16 A W H XX S+ 0 0 4 -4,-0.6 4,-2.8 -3,-0.6 3,-0.9 0.866 76.4 65.2 -54.0 -39.0 3.8 8.4 25.9 14 17 A S H 34 S+ 0 0 2 257,-0.5 -1,-0.3 -4,-0.4 7,-0.2 0.712 87.5 71.0 -58.8 -21.8 2.5 9.4 22.4 15 18 A K H <4 S+ 0 0 104 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.933 118.9 15.1 -61.5 -47.0 0.3 12.1 24.0 16 19 A K H << S+ 0 0 125 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.663 132.6 49.2-100.3 -22.6 3.3 14.3 24.9 17 20 A Y >< - 0 0 60 -4,-2.8 3,-2.0 -5,-0.2 4,-0.3 -0.799 64.7-172.1-123.8 88.9 5.9 12.6 22.7 18 21 A P G > S+ 0 0 96 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.790 81.5 63.7 -46.6 -40.7 4.6 12.2 19.1 19 22 A S G > S+ 0 0 43 1,-0.3 3,-1.9 180,-0.3 181,-0.1 0.765 88.0 70.5 -62.3 -23.5 7.5 10.1 18.0 20 23 A a G < S+ 0 0 1 -3,-2.0 -1,-0.3 1,-0.3 -6,-0.2 0.681 105.5 40.8 -67.3 -14.8 6.6 7.4 20.4 21 24 A G G < S+ 0 0 10 -3,-2.0 -1,-0.3 -4,-0.3 248,-0.3 0.147 109.3 84.4-114.6 15.8 3.6 6.8 18.2 22 25 A G S < S- 0 0 36 -3,-1.9 3,-0.4 1,-0.2 244,-0.1 0.016 83.0 -53.1 -99.6-153.9 5.6 7.2 15.0 23 26 A L S S+ 0 0 124 1,-0.2 -1,-0.2 170,-0.0 -2,-0.0 -0.288 103.4 24.9 -85.5 168.5 7.8 5.1 12.7 24 27 A L S S+ 0 0 62 1,-0.2 -1,-0.2 -2,-0.1 2,-0.2 0.809 79.0 178.6 48.6 42.9 10.9 2.9 13.4 25 28 A Q - 0 0 11 -3,-0.4 223,-0.2 224,-0.2 -1,-0.2 -0.455 15.4-112.9 -78.8 146.5 10.0 2.3 17.0 26 29 A S S S+ 0 0 0 169,-0.4 2,-0.1 -2,-0.2 223,-0.1 -0.846 72.0 47.6-123.1 159.3 12.1 0.1 19.3 27 30 A P + 0 0 0 0, 0.0 221,-2.8 0, 0.0 2,-0.3 0.588 64.1 174.1 -83.5 179.0 12.4 -2.4 20.9 28 31 A I - 0 0 0 219,-0.3 76,-1.3 -2,-0.1 2,-0.4 -0.928 34.9-100.7-142.8 164.7 11.3 -5.4 18.8 29 32 A D E -a 104 0A 29 219,-0.4 2,-0.8 -2,-0.3 76,-0.2 -0.767 29.2-143.5 -90.1 134.3 11.2 -9.1 18.9 30 33 A L E +a 105 0A 0 74,-3.1 76,-2.5 -2,-0.4 2,-0.3 -0.844 37.2 152.5-100.3 101.1 13.9 -10.9 16.9 31 34 A H > - 0 0 35 -2,-0.8 3,-1.9 74,-0.2 4,-0.2 -0.945 55.3-100.5-132.4 156.4 12.5 -14.0 15.3 32 35 A S G > S+ 0 0 90 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.765 111.1 63.0 -38.5 -50.9 13.3 -16.1 12.2 33 36 A D G 3 S+ 0 0 59 1,-0.3 -1,-0.3 221,-0.0 -3,-0.0 0.779 114.7 33.5 -52.0 -32.0 10.6 -14.8 9.9 34 37 A I G < S+ 0 0 9 -3,-1.9 221,-3.0 220,-0.1 2,-0.4 0.182 99.6 97.2-113.4 18.6 12.1 -11.3 10.0 35 38 A L E < +c 255 0B 43 -3,-1.9 2,-0.3 -4,-0.2 221,-0.2 -0.863 45.1 178.9-109.2 142.2 15.8 -12.1 10.3 36 39 A Q E -c 256 0B 97 219,-2.1 221,-2.3 -2,-0.4 2,-0.2 -0.980 27.2-122.8-146.6 129.3 18.2 -12.2 7.4 37 40 A Y E -c 257 0B 108 -2,-0.3 2,-0.4 219,-0.2 221,-0.2 -0.477 23.9-170.7 -71.2 135.6 22.0 -12.9 7.2 38 41 A D > - 0 0 50 219,-2.9 3,-1.9 -2,-0.2 -2,-0.0 -0.925 13.5-163.3-131.9 106.1 24.1 -10.2 5.7 39 42 A A T 3 S+ 0 0 74 -2,-0.4 -1,-0.1 1,-0.3 219,-0.1 0.626 86.4 71.0 -63.2 -13.7 27.7 -11.1 5.0 40 43 A S T 3 + 0 0 81 1,-0.1 2,-1.2 2,-0.1 -1,-0.3 0.592 70.0 102.3 -80.3 -10.3 28.5 -7.4 4.7 41 44 A L < - 0 0 29 -3,-1.9 147,-0.1 216,-0.2 -3,-0.1 -0.628 59.6-170.9 -78.7 97.9 28.1 -6.9 8.4 42 45 A T - 0 0 83 -2,-1.2 2,-0.1 36,-0.2 -2,-0.1 -0.378 30.4 -78.7 -87.3 165.2 31.6 -6.7 9.7 43 46 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.369 42.5-128.3 -65.9 137.5 32.9 -6.7 13.3 44 47 A L - 0 0 14 141,-0.3 2,-0.5 -2,-0.1 34,-0.2 -0.529 17.4-136.3 -81.6 153.9 32.7 -3.4 15.2 45 48 A E E -D 77 0B 105 32,-2.9 32,-2.5 -2,-0.2 2,-0.7 -0.959 8.1-147.7-115.2 129.0 35.9 -2.2 16.9 46 49 A F E -D 76 0B 26 -2,-0.5 2,-0.4 30,-0.2 3,-0.2 -0.868 20.7-174.5-101.5 112.5 35.7 -0.8 20.4 47 50 A Q E +D 75 0B 58 28,-2.8 28,-3.2 -2,-0.7 -2,-0.0 -0.879 63.0 8.0-111.9 138.0 38.2 2.0 21.0 48 50AA G S S+ 0 0 38 -2,-0.4 -1,-0.2 26,-0.3 129,-0.1 0.652 83.3 128.7 72.3 14.9 39.0 3.8 24.2 49 51 A Y + 0 0 3 -3,-0.2 128,-2.5 1,-0.2 2,-1.7 0.686 47.7 85.1 -74.6 -20.6 36.8 1.4 26.2 50 52 A N B S-O 176 0C 120 126,-0.3 126,-0.3 127,-0.1 -1,-0.2 -0.621 77.6-156.7 -85.2 83.6 39.5 0.6 28.7 51 53 A L - 0 0 9 -2,-1.7 2,-0.1 124,-1.5 -2,-0.1 -0.330 23.3 -99.5 -64.2 138.1 38.7 3.6 30.9 52 54 A S > - 0 0 52 1,-0.2 3,-1.7 2,-0.1 122,-0.9 -0.365 18.7-144.2 -61.5 130.3 41.5 4.9 33.2 53 54AA A T 3 S+ 0 0 67 1,-0.3 -1,-0.2 120,-0.2 -2,-0.1 0.603 100.6 65.2 -69.6 -10.8 41.3 3.6 36.7 54 54BA N T 3 S+ 0 0 151 119,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.356 93.4 74.5 -92.4 4.0 42.6 7.0 37.8 55 55 A K S < S- 0 0 130 -3,-1.7 119,-2.5 119,-0.0 2,-0.4 -0.883 74.5-139.2-115.4 149.7 39.5 8.7 36.4 56 56 A Q E -E 173 0B 102 -2,-0.3 2,-0.4 117,-0.2 -4,-0.1 -0.889 11.3-157.0-110.8 140.2 36.1 8.7 38.1 57 57 A F E -E 172 0B 24 115,-2.6 115,-2.9 -2,-0.4 2,-0.4 -0.956 22.9-112.9-120.8 135.6 32.8 8.4 36.2 58 58 A L E -E 171 0B 40 -2,-0.4 11,-2.8 113,-0.2 2,-0.5 -0.509 23.4-165.4 -74.0 122.5 29.4 9.6 37.4 59 59 A L E -EF 170 68B 0 111,-3.2 111,-2.2 -2,-0.4 2,-0.4 -0.914 17.9-178.3-104.5 127.5 26.8 7.0 38.3 60 60 A T E -EF 169 67B 13 7,-3.0 7,-2.9 -2,-0.5 2,-0.8 -0.980 32.7-142.8-135.2 143.3 23.3 8.5 38.6 61 61 A N E - F 0 66B 0 107,-2.1 106,-3.2 -2,-0.4 5,-0.2 -0.906 23.3-179.7 -97.5 108.5 19.8 7.3 39.4 62 62 A N - 0 0 50 3,-1.6 -1,-0.1 -2,-0.8 4,-0.1 0.237 52.2-102.4 -96.5 14.6 17.7 9.5 37.0 63 63 A G S S+ 0 0 8 2,-0.4 3,-0.1 165,-0.2 103,-0.1 0.344 116.8 58.2 84.6 -7.7 14.4 8.1 38.2 64 64 A H S S- 0 0 53 1,-0.5 2,-0.3 164,-0.1 -1,-0.1 0.575 120.4 -25.8-123.2 -26.0 14.1 5.9 35.1 65 65 A S S S- 0 0 6 -5,-0.1 -3,-1.6 26,-0.1 2,-0.5 -0.920 70.5 -87.8-169.4-176.8 17.2 3.7 35.3 66 66 A V E -F 61 0B 1 -2,-0.3 24,-0.8 24,-0.2 2,-0.3 -0.966 49.2-170.4-110.7 127.4 20.7 3.8 36.7 67 67 A K E -FG 60 89B 51 -7,-2.9 -7,-3.0 -2,-0.5 2,-0.5 -0.912 19.5-152.6-124.3 152.1 23.2 5.4 34.3 68 68 A L E -FG 59 88B 1 20,-2.6 20,-1.8 -2,-0.3 -9,-0.2 -0.983 24.1-128.6-119.8 125.1 26.9 5.7 34.1 69 69 A N E - G 0 87B 55 -11,-2.8 18,-0.3 -2,-0.5 16,-0.0 -0.535 25.6-158.8 -74.2 139.3 28.4 8.7 32.2 70 70 A L - 0 0 13 16,-2.0 2,-0.1 -2,-0.2 -13,-0.0 -0.907 17.3-110.3-120.5 149.0 31.0 7.7 29.6 71 71 A P > - 0 0 27 0, 0.0 3,-1.5 0, 0.0 14,-0.4 -0.452 18.6-127.0 -78.1 148.4 33.7 9.9 28.0 72 72 A S T 3 S+ 0 0 67 1,-0.3 13,-0.1 12,-0.1 49,-0.1 0.605 102.6 75.3 -69.8 -10.5 33.6 11.0 24.3 73 73 A D T 3 S+ 0 0 92 11,-0.1 2,-0.4 -25,-0.1 -1,-0.3 0.663 80.6 78.1 -77.2 -15.0 37.0 9.5 23.8 74 74 A M S < S+ 0 0 0 -3,-1.5 11,-2.6 11,-0.1 2,-0.3 -0.793 70.2 159.9 -92.3 136.8 35.7 6.0 23.8 75 78 A H E -DH 47 84B 30 -28,-3.2 -28,-2.8 -2,-0.4 2,-0.4 -0.970 41.1-108.4-153.8 169.3 34.1 5.2 20.5 76 79 A I E -DH 46 83B 1 7,-2.6 7,-1.2 -2,-0.3 2,-0.4 -0.848 25.7-165.6-103.6 135.8 32.9 2.7 17.9 77 80 A Q E +D 45 0B 82 -32,-2.5 -32,-2.9 -2,-0.4 3,-0.1 -0.955 63.5 58.7-120.0 138.4 34.7 2.1 14.7 78 81 A G S S+ 0 0 42 1,-0.5 -36,-0.2 -2,-0.4 2,-0.2 0.202 78.6 99.5 129.8 -15.5 33.2 0.2 11.8 79 84 A L S S- 0 0 30 2,-0.3 -1,-0.5 -3,-0.2 4,-0.0 -0.481 91.1 -94.8 -95.7 171.4 30.1 2.3 11.1 80 85 A Q S S+ 0 0 166 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.774 111.3 20.2 -56.5 -27.6 29.6 4.9 8.3 81 86 A S S S- 0 0 26 54,-0.0 -2,-0.3 -5,-0.0 2,-0.3 -0.898 95.5 -92.3-136.4 164.6 30.6 7.6 10.8 82 87 A R - 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