==== 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 1JCZ . 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 . 520 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.5 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 . 40 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 6.5 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 1 1 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 0 201 0, 0.0 2,-0.3 0, 0.0 15,-0.1 0.000 360.0 360.0 360.0 148.7 6.8 13.5 33.0 2 5 A W - 0 0 33 196,-0.1 2,-0.2 2,-0.0 7,-0.2 -0.981 360.0-179.8-149.9 158.1 6.6 9.9 32.0 3 6 A T - 0 0 46 5,-2.3 10,-0.1 -2,-0.3 3,-0.1 -0.797 37.7-115.5-144.4-175.5 6.7 6.4 33.6 4 7 A Y S S+ 0 0 22 -2,-0.2 2,-0.3 5,-0.2 5,-0.1 0.305 98.0 36.7-109.3 2.7 6.5 2.7 32.7 5 8 A F S S+ 0 0 135 4,-0.1 3,-0.4 5,-0.0 -1,-0.2 -0.986 99.2 16.0-154.4 145.1 3.3 2.1 34.7 6 9 A G S > S- 0 0 19 -2,-0.3 3,-2.0 1,-0.2 -3,-0.1 -0.471 109.6 -21.9 94.5-166.2 0.1 4.0 35.4 7 10 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 275,-0.0 0.792 139.5 43.5 -50.4 -40.4 -1.5 7.1 33.8 8 11 A D T 3 S+ 0 0 68 -3,-0.4 -5,-2.3 3,-0.0 -2,-0.1 0.085 92.9 129.9 -98.2 23.6 1.8 8.3 32.3 9 12 A G S X> S- 0 0 6 -3,-2.0 3,-2.4 273,-0.3 4,-0.6 0.020 78.1 -77.5 -69.7 179.8 2.8 4.8 31.1 10 13 A E G >4 S+ 0 0 21 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.732 126.3 60.1 -53.8 -30.4 4.0 3.7 27.7 11 14 A N G 34 S+ 0 0 27 1,-0.2 264,-0.5 2,-0.1 -1,-0.3 0.643 111.4 43.6 -74.5 -10.8 0.6 3.7 26.1 12 15 A S G X> S+ 0 0 8 -3,-2.4 3,-1.6 270,-0.1 4,-0.6 0.438 83.5 95.2-110.4 -3.8 0.3 7.4 26.9 13 16 A W H XX S+ 0 0 4 -3,-0.6 4,-3.0 -4,-0.6 3,-1.0 0.881 76.7 64.6 -54.8 -40.6 3.8 8.5 25.9 14 17 A S H 34 S+ 0 0 1 258,-0.5 -1,-0.3 -4,-0.4 7,-0.2 0.681 87.8 70.7 -59.1 -19.4 2.5 9.5 22.4 15 18 A K H <4 S+ 0 0 102 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.929 119.6 15.1 -63.9 -45.1 0.3 12.2 23.9 16 19 A K H << S+ 0 0 124 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.669 132.7 49.1-101.2 -24.3 3.3 14.4 24.9 17 20 A Y >< - 0 0 62 -4,-3.0 3,-2.1 -5,-0.2 4,-0.3 -0.791 65.0-172.6-122.8 87.8 6.0 12.7 22.7 18 21 A P G > S+ 0 0 94 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.791 81.3 63.4 -45.4 -42.2 4.6 12.3 19.1 19 22 A S G > S+ 0 0 44 1,-0.3 3,-1.8 180,-0.3 181,-0.1 0.770 88.5 70.2 -61.4 -24.6 7.6 10.2 18.0 20 23 A a G < S+ 0 0 2 -3,-2.1 -1,-0.3 1,-0.3 -6,-0.2 0.703 106.0 39.9 -66.5 -16.5 6.6 7.5 20.4 21 24 A G G < S+ 0 0 11 -3,-2.0 -1,-0.3 -4,-0.3 249,-0.3 0.199 110.4 84.6-112.5 12.3 3.6 6.9 18.2 22 25 A G S < S- 0 0 36 -3,-1.8 3,-0.4 1,-0.2 245,-0.1 0.075 83.0 -51.4 -96.3-153.5 5.6 7.3 15.0 23 26 A L S S+ 0 0 144 1,-0.2 -1,-0.2 170,-0.0 170,-0.0 -0.285 103.7 23.5 -84.7 167.6 7.9 5.3 12.7 24 27 A L S S+ 0 0 61 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.810 79.3 179.0 47.8 43.9 10.9 3.1 13.4 25 28 A Q - 0 0 11 -3,-0.4 -1,-0.2 224,-0.2 223,-0.2 -0.449 14.7-112.0 -79.0 147.8 10.0 2.4 17.0 26 29 A S S S+ 0 0 0 169,-0.4 2,-0.1 -2,-0.1 223,-0.1 -0.836 71.0 45.7-124.8 160.6 12.0 0.1 19.3 27 30 A P + 0 0 0 0, 0.0 221,-3.0 0, 0.0 2,-0.3 0.615 63.7 175.2 -84.1 179.7 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 -0.929 34.4-100.6-142.7 165.0 11.3 -5.3 18.8 29 32 A D E -a 104 0A 30 219,-0.4 2,-0.8 -2,-0.3 76,-0.2 -0.762 29.7-142.9 -90.2 133.0 11.1 -9.1 18.8 30 33 A L E +a 105 0A 0 74,-3.3 76,-2.6 -2,-0.4 2,-0.3 -0.839 37.3 152.6 -99.6 103.7 13.9 -10.9 16.9 31 34 A H > - 0 0 33 -2,-0.8 3,-2.1 74,-0.2 4,-0.3 -0.964 55.4-100.7-134.7 153.2 12.4 -14.0 15.2 32 35 A S G > S+ 0 0 90 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.750 111.0 63.6 -35.3 -51.4 13.2 -16.0 12.1 33 36 A D G 3 S+ 0 0 58 1,-0.3 -1,-0.3 221,-0.0 -3,-0.0 0.777 114.4 32.9 -51.7 -31.6 10.5 -14.7 9.8 34 37 A I G < S+ 0 0 9 -3,-2.1 221,-3.1 220,-0.1 2,-0.4 0.184 99.6 97.7-114.5 18.7 12.0 -11.2 9.9 35 38 A L E < +c 255 0B 41 -3,-1.9 2,-0.3 -4,-0.3 221,-0.2 -0.857 45.1 179.1-108.3 141.4 15.7 -12.0 10.2 36 39 A Q E -c 256 0B 97 219,-2.0 221,-2.3 -2,-0.4 2,-0.2 -0.976 27.2-123.3-145.9 128.6 18.2 -12.1 7.3 37 40 A Y E -c 257 0B 109 -2,-0.3 2,-0.5 219,-0.2 221,-0.2 -0.476 22.2-169.5 -70.6 134.3 21.9 -12.9 7.2 38 41 A D > - 0 0 52 219,-3.0 3,-2.3 -2,-0.2 -1,-0.0 -0.888 10.3-163.9-128.8 99.6 24.0 -10.1 5.7 39 42 A A T 3 S+ 0 0 72 -2,-0.5 -1,-0.1 1,-0.3 219,-0.1 0.627 85.9 69.1 -57.1 -14.6 27.6 -11.3 5.0 40 43 A S T 3 + 0 0 81 2,-0.1 2,-1.3 1,-0.1 -1,-0.3 0.588 69.0 105.4 -82.6 -10.2 28.6 -7.6 4.7 41 44 A L < - 0 0 27 -3,-2.3 147,-0.1 216,-0.2 -3,-0.1 -0.589 58.7-168.9 -75.6 97.2 28.1 -6.9 8.4 42 45 A T - 0 0 84 -2,-1.3 -2,-0.1 36,-0.2 2,-0.0 -0.358 29.3 -78.4 -85.3 163.9 31.6 -6.7 9.6 43 46 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.323 42.5-128.3 -63.8 140.0 32.9 -6.6 13.2 44 47 A L - 0 0 14 141,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.566 17.2-136.6 -84.4 153.8 32.7 -3.4 15.1 45 48 A E E -D 77 0B 100 32,-3.2 32,-2.9 -2,-0.2 2,-0.7 -0.959 8.0-149.3-115.1 129.2 35.8 -2.1 16.8 46 49 A F E -D 76 0B 15 -2,-0.5 2,-0.4 30,-0.2 3,-0.3 -0.875 19.6-173.1-102.6 111.3 35.6 -0.7 20.3 47 50 A Q E +D 75 0B 70 28,-2.9 28,-2.8 -2,-0.7 -2,-0.0 -0.839 63.5 8.0-108.4 142.0 38.2 2.0 21.0 48 50AA G S S+ 0 0 44 -2,-0.4 -1,-0.2 26,-0.3 129,-0.1 0.671 83.3 129.2 68.0 17.0 38.9 3.8 24.2 49 51 A Y + 0 0 3 -3,-0.3 128,-2.5 1,-0.2 2,-1.8 0.716 48.4 84.0 -75.0 -22.2 36.6 1.4 26.1 50 52 A N B S-O 176 0C 120 126,-0.3 126,-0.3 127,-0.1 -1,-0.2 -0.612 78.2-157.3 -84.1 83.6 39.3 0.6 28.7 51 53 A L - 0 0 10 -2,-1.8 2,-0.1 124,-1.6 -2,-0.1 -0.341 23.7 -99.0 -64.8 139.9 38.6 3.7 30.8 52 54 A S > - 0 0 53 1,-0.2 3,-1.6 2,-0.1 122,-0.9 -0.368 18.7-144.2 -62.7 132.0 41.4 4.9 33.1 53 54AA A T 3 S+ 0 0 67 1,-0.3 -1,-0.2 120,-0.2 -2,-0.1 0.557 100.4 65.5 -72.1 -7.3 41.0 3.6 36.7 54 54BA N T 3 S+ 0 0 152 119,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.351 93.5 73.5 -94.7 3.8 42.5 7.0 37.7 55 55 A K S < S- 0 0 122 -3,-1.6 119,-2.4 117,-0.0 2,-0.4 -0.877 75.4-138.0-115.6 150.8 39.4 8.8 36.3 56 56 A Q E -E 173 0B 103 -2,-0.3 2,-0.4 117,-0.2 -4,-0.1 -0.895 11.0-157.1-111.4 140.0 36.0 8.8 37.9 57 57 A F E -E 172 0B 22 115,-2.7 115,-2.9 -2,-0.4 2,-0.4 -0.954 23.2-114.1-120.1 134.5 32.7 8.4 36.0 58 58 A L E -E 171 0B 40 -2,-0.4 11,-2.9 113,-0.2 2,-0.5 -0.507 23.7-165.3 -73.9 123.4 29.3 9.7 37.3 59 59 A L E -EF 170 68B 2 111,-3.3 111,-2.2 -2,-0.4 2,-0.4 -0.909 16.9-177.1-105.3 130.0 26.7 7.1 38.1 60 60 A T E -EF 169 67B 22 7,-3.2 7,-3.2 -2,-0.5 2,-0.8 -0.974 32.7-143.8-135.7 145.8 23.2 8.6 38.5 61 61 A N E + F 0 66B 0 107,-2.1 106,-3.2 -2,-0.4 107,-0.2 -0.931 23.9 179.2-101.0 107.5 19.7 7.5 39.4 62 62 A N - 0 0 54 3,-1.5 4,-0.1 -2,-0.8 -1,-0.1 0.244 54.2 -99.6 -96.4 13.3 17.6 9.7 37.1 63 63 A G S S+ 0 0 7 2,-0.4 3,-0.1 165,-0.2 103,-0.1 0.374 117.6 57.5 87.4 -5.2 14.3 8.3 38.2 64 64 A H S S- 0 0 47 1,-0.5 2,-0.3 164,-0.1 165,-0.1 0.559 119.2 -25.1-126.6 -25.8 14.0 6.0 35.1 65 65 A S S S- 0 0 6 -5,-0.1 -3,-1.5 26,-0.1 2,-0.5 -0.930 71.9 -83.8-170.0-177.5 17.1 3.8 35.3 66 66 A V E -F 61 0B 2 -2,-0.3 24,-0.8 24,-0.2 2,-0.4 -0.952 50.0-166.5-107.4 125.5 20.7 3.8 36.7 67 67 A K E -FG 60 89B 37 -7,-3.2 -7,-3.2 -2,-0.5 2,-0.5 -0.915 16.9-157.6-119.9 142.9 23.0 5.6 34.3 68 68 A L E -FG 59 88B 2 20,-2.7 20,-1.9 -2,-0.4 -9,-0.2 -0.975 22.6-131.7-116.8 122.7 26.8 5.9 34.0 69 69 A N E - G 0 87B 65 -11,-2.9 18,-0.3 -2,-0.5 16,-0.0 -0.541 25.1-159.6 -73.6 138.8 28.2 8.8 32.1 70 70 A L - 0 0 14 16,-2.1 2,-0.2 -2,-0.2 -1,-0.0 -0.877 17.1-109.3-120.0 152.7 30.8 7.9 29.5 71 71 A P > - 0 0 26 0, 0.0 3,-1.5 0, 0.0 14,-0.4 -0.491 17.9-127.9 -81.9 149.8 33.6 9.9 27.8 72 72 A S T 3 S+ 0 0 67 1,-0.3 13,-0.1 -2,-0.2 49,-0.1 0.578 102.1 76.1 -71.4 -8.6 33.5 11.0 24.2 73 73 A D T 3 S+ 0 0 89 11,-0.1 2,-0.5 -25,-0.1 -1,-0.3 0.615 80.3 77.7 -78.9 -11.6 37.0 9.5 23.8 74 74 A M S < S+ 0 0 0 -3,-1.5 11,-2.7 11,-0.1 2,-0.3 -0.838 70.5 162.6 -95.7 135.0 35.6 6.0 23.8 75 78 A H E -DH 47 84B 34 -28,-2.8 -28,-2.9 -2,-0.5 2,-0.4 -0.968 41.0-110.0-150.8 167.4 34.0 5.2 20.4 76 79 A I E -DH 46 83B 1 7,-2.6 7,-1.2 -2,-0.3 2,-0.4 -0.842 27.8-166.3-100.6 133.1 32.8 2.7 17.9 77 80 A Q E +D 45 0B 88 -32,-2.9 -32,-3.2 -2,-0.4 3,-0.1 -0.950 62.7 57.6-118.3 139.0 34.7 2.1 14.7 78 81 A G S S+ 0 0 43 1,-0.5 -36,-0.2 -2,-0.4 2,-0.2 0.235 79.1 99.3 128.3 -14.2 33.3 0.2 11.7 79 84 A L S S- 0 0 30 2,-0.4 -1,-0.5 -3,-0.2 4,-0.0 -0.473 91.0 -94.4 -96.5 172.6 30.1 2.2 10.9 80 85 A Q S S+ 0 0 169 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.796 111.3 21.9 -57.1 -30.2 29.7 4.9 8.2 81 86 A S S S- 0 0 19 54,-0.0 -2,-0.4 -5,-0.0 2,-0.4 -0.876 94.6 -95.1-132.6 164.4 30.6 7.6 10.7 82 87 A R - 0 0 86 -2,-0.3 39,-1.0 -4,-0.1 40,-0.9 -0.672 35.8-159.7 -81.9 135.6 32.4 7.6 14.1 83 88 A Y E -HI 76 120B 7 -7,-1.2 -7,-2.6 -2,-0.4 2,-0.3 -0.979 3.7-157.5-119.3 122.3 30.1 7.3 17.1 84 89 A S E -HI 75 119B 3 35,-2.4 35,-2.9 -2,-0.5 -9,-0.2 -0.758 23.6-106.8-100.3 145.0 31.4 8.5 20.4 85 90 A A E + I 0 118B 1 -11,-2.7 33,-0.3 -14,-0.4 -11,-0.1 -0.264 36.7 166.4 -69.8 154.0 30.0 7.3 23.8 86 91 A T E - 0 0 40 31,-2.4 -16,-2.1 1,-0.4 2,-0.3 0.532 61.5 -27.0-133.5 -38.6 27.8 9.4 26.0 87 92 A Q E -GI 69 117B 31 30,-1.4 30,-2.8 -18,-0.3 -1,-0.4 -0.982 43.4-142.8-173.3 162.4 26.2 7.0 28.6 88 93 A L E +GI 68 116B 2 -20,-1.9 -20,-2.7 -2,-0.3 2,-0.3 -0.949 24.0 162.7-133.1 154.9 25.1 3.5 29.4 89 94 A H E -GI 67 115B 22 26,-1.8 26,-2.8 -2,-0.3 2,-0.3 -0.944 23.5-120.1-158.9 176.0 22.1 2.4 31.4 90 95 A L E - I 0 114B 1 -24,-0.8 2,-0.4 -2,-0.3 -24,-0.2 -0.806 4.2-151.6-129.5 168.1 20.0 -0.7 32.1 91 96 A H E + I 0 113B 2 22,-1.7 22,-2.0 -2,-0.3 2,-0.3 -0.994 27.6 159.4-136.3 137.4 16.4 -2.1 31.8 92 97 A W E - 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