==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-APR-05 1ZFK . COMPND 2 MOLECULE: CARBONIC ANHYDRASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.S.HONNDORF,A.HEINE,G.KLEBE,C.T.SUPURAN . 256 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 22.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 23 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.3 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 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 1004 A H 0 0 207 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 46.2 30.3 1.7 8.3 2 1005 A W + 0 0 53 1,-0.1 2,-0.2 11,-0.1 7,-0.2 -0.371 360.0 140.5 -54.9 151.0 28.9 0.2 11.4 3 1006 A G - 0 0 6 5,-3.2 10,-0.1 2,-0.1 -1,-0.1 -0.713 62.1 -78.7-161.2-141.0 26.6 -2.6 10.5 4 1007 A Y S S+ 0 0 35 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.197 83.2 108.6-126.3 15.1 25.6 -6.1 11.7 5 1008 A G S > S- 0 0 40 1,-0.1 4,-1.2 4,-0.1 -2,-0.1 -0.204 84.7-101.7 -80.5-177.7 28.5 -8.2 10.4 6 1009 A K T 4 S+ 0 0 84 1,-0.2 -1,-0.1 2,-0.2 5,-0.0 0.811 123.5 48.8 -71.4 -27.2 31.2 -9.8 12.5 7 1010 A H T 4 S+ 0 0 175 1,-0.1 -1,-0.2 5,-0.0 -5,-0.0 0.717 129.9 15.5 -83.1 -23.7 33.5 -7.1 11.5 8 1011 A N T 4 S+ 0 0 52 -3,-0.1 -5,-3.2 -6,-0.1 -2,-0.2 0.189 96.3 123.4-140.9 18.5 31.2 -4.1 12.2 9 1012 A G S >X S- 0 0 2 -4,-1.2 3,-2.7 -5,-0.2 4,-1.0 0.092 81.3 -66.7 -78.2-177.3 28.4 -5.5 14.4 10 1013 A P T 34 S+ 0 0 29 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.732 128.4 59.9 -48.0 -32.3 27.1 -4.5 17.8 11 1014 A E T 34 S+ 0 0 145 1,-0.2 4,-0.1 2,-0.1 -5,-0.1 0.621 109.4 45.2 -73.7 -11.5 30.3 -5.6 19.7 12 1015 A H T X4 S+ 0 0 59 -3,-2.7 3,-2.0 1,-0.1 4,-0.5 0.648 88.0 86.5 -99.2 -20.2 32.3 -3.1 17.6 13 1016 A W G >X S+ 0 0 5 -4,-1.0 4,-2.3 1,-0.3 3,-1.5 0.830 75.0 69.1 -56.1 -33.3 30.0 -0.0 17.8 14 1017 A H G 34 S+ 0 0 65 -4,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.739 86.1 69.3 -63.0 -21.9 31.4 1.3 21.1 15 1018 A K G <4 S+ 0 0 139 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.811 118.6 20.0 -69.1 -27.1 34.7 2.2 19.4 16 1019 A D T <4 S+ 0 0 128 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.641 135.4 40.6-108.8 -15.9 33.0 5.0 17.4 17 1020 A F >< + 0 0 59 -4,-2.3 3,-2.8 1,-0.1 -1,-0.2 -0.763 65.3 179.9-131.9 76.3 29.9 5.4 19.7 18 1021 A P G > S+ 0 0 101 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 0.775 73.6 75.6 -58.5 -24.6 31.2 5.1 23.2 19 1022 A I G > S+ 0 0 63 1,-0.3 3,-2.6 179,-0.2 5,-0.2 0.661 70.3 89.9 -60.3 -13.6 27.6 5.6 24.6 20 1023 A A G < S+ 0 0 8 -3,-2.8 -1,-0.3 1,-0.3 -6,-0.1 0.742 89.1 47.4 -53.3 -24.9 27.1 2.0 23.5 21 1024 A K G < S+ 0 0 148 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.000 96.0 131.5-103.8 24.3 28.3 1.1 27.0 22 1025 A G S < S- 0 0 12 -3,-2.6 3,-0.4 1,-0.1 -3,-0.0 0.060 71.6-103.9 -76.3-178.0 26.0 3.7 28.6 23 1026 A E S S+ 0 0 122 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.505 112.5 35.9 -85.9 -10.7 23.6 3.7 31.5 24 1027 A R S S+ 0 0 45 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.227 78.1 154.3-146.2 50.9 20.4 3.6 29.4 25 1028 A Q - 0 0 1 -3,-0.4 220,-0.2 221,-0.3 170,-0.1 -0.482 33.5-101.2 -85.7 146.7 21.0 1.5 26.4 26 1029 A S S S+ 0 0 0 168,-0.5 2,-0.1 -2,-0.2 -2,-0.1 -0.853 78.1 39.3-119.9 155.6 18.3 -0.3 24.4 27 1030 A P + 0 0 0 0, 0.0 218,-2.7 0, 0.0 2,-0.3 0.634 65.4 178.9 -79.8-177.9 17.0 -2.9 23.8 28 1031 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.1 2,-0.4 -0.929 35.4-100.5-134.6 159.6 16.7 -4.8 27.0 29 1032 A D E -a 105 0A 26 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.712 34.0-138.6 -74.8 135.5 15.2 -8.1 28.1 30 1033 A I E -a 106 0A 0 75,-2.9 77,-2.4 -2,-0.4 2,-0.9 -0.862 12.2-159.9 -98.1 103.5 11.8 -7.6 29.6 31 1034 A D >> - 0 0 63 -2,-0.8 4,-1.8 75,-0.2 3,-1.7 -0.769 3.5-159.4 -83.7 105.9 11.6 -9.8 32.7 32 1035 A T T 34 S+ 0 0 44 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.766 88.0 54.6 -61.0 -28.2 7.8 -10.1 33.2 33 1036 A H T 34 S+ 0 0 167 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.529 112.1 43.6 -86.6 -3.5 8.1 -11.1 36.8 34 1037 A T T <4 S+ 0 0 110 -3,-1.7 -2,-0.2 2,-0.0 -1,-0.2 0.656 92.0 95.1-108.5 -25.2 10.2 -8.1 37.6 35 1038 A A < - 0 0 19 -4,-1.8 2,-0.5 216,-0.1 218,-0.2 -0.483 68.8-144.0 -66.8 136.8 8.2 -5.5 35.7 36 1039 A K E -c 253 0B 137 216,-1.6 218,-2.3 -2,-0.2 -1,-0.1 -0.892 13.4-114.1-113.6 132.6 5.6 -3.8 37.9 37 1040 A Y E -c 254 0B 122 -2,-0.5 218,-0.2 216,-0.2 151,-0.0 -0.342 30.4-158.1 -54.4 132.5 2.1 -2.6 37.2 38 1041 A D > - 0 0 37 216,-2.5 3,-1.8 1,-0.1 -1,-0.1 -0.894 15.8-173.9-121.8 100.7 2.0 1.2 37.4 39 1042 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.563 81.0 74.9 -72.2 -3.7 -1.4 2.6 38.0 40 1043 A S T 3 S+ 0 0 76 2,-0.1 2,-0.2 -3,-0.0 215,-0.1 0.628 72.3 105.4 -76.0 -19.0 0.1 6.1 37.6 41 1044 A L < - 0 0 32 -3,-1.8 3,-0.1 213,-0.2 38,-0.0 -0.481 66.6-141.4 -69.6 129.9 0.2 5.5 33.8 42 1045 A K - 0 0 129 37,-1.5 37,-0.3 -2,-0.2 39,-0.1 -0.370 39.8 -71.8 -84.3 163.4 -2.4 7.4 31.9 43 1046 A P - 0 0 115 0, 0.0 36,-1.0 0, 0.0 2,-0.4 -0.363 49.6-117.4 -62.1 141.3 -4.2 5.8 28.9 44 1047 A L E -D 78 0B 25 34,-0.3 2,-0.5 141,-0.1 34,-0.2 -0.627 27.0-161.4 -76.9 132.1 -2.2 5.3 25.8 45 1048 A S E -D 77 0B 47 32,-2.9 32,-2.4 -2,-0.4 2,-0.7 -0.949 10.6-176.8-123.2 108.7 -3.5 7.3 22.8 46 1049 A V E -D 76 0B 31 -2,-0.5 2,-0.8 30,-0.2 30,-0.2 -0.900 7.2-178.1-102.8 101.3 -2.4 6.2 19.3 47 1050 A S E +D 75 0B 40 28,-2.6 28,-2.5 -2,-0.7 3,-0.1 -0.799 24.1 142.3-111.5 90.6 -4.0 8.8 16.9 48 1051 A Y > + 0 0 3 -2,-0.8 3,-1.6 26,-0.2 130,-0.2 0.157 31.4 110.0-113.3 8.5 -3.0 7.7 13.4 49 1052 A D T 3 S+ 0 0 119 1,-0.3 -1,-0.1 24,-0.1 25,-0.1 0.803 85.8 40.7 -59.8 -31.4 -6.2 8.5 11.4 50 1053 A Q T 3 S+ 0 0 45 23,-0.3 -1,-0.3 -3,-0.1 24,-0.2 0.041 81.9 147.4-104.5 26.8 -4.6 11.4 9.5 51 1054 A A < - 0 0 24 -3,-1.6 2,-0.5 22,-0.2 123,-0.1 -0.319 33.4-157.7 -68.6 143.0 -1.2 9.9 8.9 52 1055 A T - 0 0 60 16,-0.3 16,-2.8 122,-0.1 2,-0.1 -0.837 7.9-164.8-120.4 94.1 0.4 11.0 5.7 53 1056 A S E +E 67 0B 2 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.489 9.2 178.8 -73.9 153.6 3.0 8.5 4.5 54 1057 A L E - 0 0 78 12,-3.2 118,-2.6 1,-0.4 2,-0.3 0.665 48.2 -18.0-116.8 -52.3 5.5 9.7 1.9 55 1058 A R E -EF 66 171B 81 11,-1.1 11,-2.7 116,-0.3 -1,-0.4 -0.968 46.6-123.8-160.8 161.1 8.1 7.2 0.8 56 1059 A I E -EF 65 170B 0 114,-2.4 114,-2.0 -2,-0.3 2,-0.4 -0.987 28.6-170.3-126.2 134.7 9.9 4.0 1.6 57 1060 A L E -EF 64 169B 34 7,-2.1 7,-2.3 -2,-0.4 2,-0.8 -0.990 23.4-146.4-128.7 130.5 13.7 3.9 1.8 58 1061 A N E -E 63 0B 0 110,-2.8 109,-3.2 -2,-0.4 5,-0.2 -0.906 21.1-178.4 -89.3 112.7 16.3 1.2 2.0 59 1062 A N - 0 0 52 3,-1.8 4,-0.1 -2,-0.8 -1,-0.1 0.201 51.4-101.5 -99.2 13.9 19.0 2.9 4.2 60 1063 A G S S+ 0 0 8 2,-0.4 3,-0.1 166,-0.2 106,-0.1 0.353 118.2 55.8 86.0 -9.5 21.5 -0.0 4.2 61 1064 A H S S- 0 0 53 1,-0.6 2,-0.3 -58,-0.1 -1,-0.1 0.572 124.5 -33.6-121.4 -35.9 20.4 -1.0 7.7 62 1065 A A S S- 0 0 6 -5,-0.1 -3,-1.8 165,-0.1 -1,-0.6 -0.859 70.4 -88.6-161.0-166.7 16.7 -1.5 7.4 63 1066 A F E -E 58 0B 0 -2,-0.3 29,-0.5 -5,-0.2 2,-0.4 -0.986 35.8-154.0-119.3 140.4 13.8 0.0 5.4 64 1067 A N E -E 57 0B 21 -7,-2.3 -7,-2.1 -2,-0.4 2,-0.6 -0.936 11.0-149.6-114.2 132.3 12.0 3.1 6.7 65 1068 A V E -EG 56 90B 0 25,-2.7 25,-2.0 -2,-0.4 2,-0.3 -0.907 30.8-150.4 -93.3 118.1 8.4 4.1 5.8 66 1069 A E E -EG 55 89B 42 -11,-2.7 -12,-3.2 -2,-0.6 -11,-1.1 -0.746 10.4-158.0-102.8 141.9 8.6 7.9 6.2 67 1070 A F E -E 53 0B 8 21,-2.6 2,-0.7 -2,-0.3 -14,-0.2 -0.831 29.6-104.3-116.4 151.9 5.8 10.3 7.1 68 1071 A D + 0 0 46 -16,-2.8 -16,-0.3 -2,-0.3 3,-0.2 -0.686 40.4 173.5 -66.8 114.4 5.1 14.0 6.7 69 1072 A D + 0 0 44 -2,-0.7 -1,-0.1 1,-0.1 17,-0.1 0.004 43.1 111.9-118.0 28.7 5.8 15.3 10.2 70 1073 A S S S+ 0 0 82 56,-0.0 2,-0.3 2,-0.0 -1,-0.1 0.409 87.7 14.8 -78.6 -3.5 5.4 19.0 9.3 71 1074 A Q S S- 0 0 121 -3,-0.2 2,-2.6 3,-0.1 3,-0.2 -0.956 99.7 -77.8-158.7 172.5 2.3 19.1 11.5 72 1075 A D S S+ 0 0 80 -2,-0.3 3,-0.2 1,-0.2 -22,-0.1 -0.209 75.7 129.7 -72.0 55.6 0.5 17.1 14.2 73 1076 A K S S+ 0 0 33 -2,-2.6 2,-0.6 1,-0.3 -23,-0.3 0.930 73.2 20.3 -70.1 -81.9 -1.1 14.4 11.9 74 1077 A A S S+ 0 0 5 -3,-0.2 13,-2.5 13,-0.2 2,-0.3 -0.775 85.5 170.3 -91.1 114.8 -0.2 11.0 13.4 75 1078 A V E -DH 47 86B 14 -28,-2.5 -28,-2.6 -2,-0.6 2,-0.5 -0.928 31.5-143.7-134.0 156.1 0.7 11.4 17.1 76 1079 A L E +DH 46 85B 0 9,-3.0 9,-2.2 -2,-0.3 2,-0.3 -0.973 31.6 159.6-114.0 130.3 1.3 9.4 20.1 77 1080 A K E +DH 45 84B 71 -32,-2.4 -32,-2.9 -2,-0.5 7,-0.1 -0.887 34.0 27.4-140.7 168.2 0.2 10.6 23.5 78 1081 A G E > S+D 44 0B 18 5,-0.5 3,-2.7 3,-0.3 -34,-0.3 -0.237 71.1 85.5 75.7-160.2 -0.6 9.4 27.0 79 1082 A G T 3 S- 0 0 0 -36,-1.0 -37,-1.5 -37,-0.3 -1,-0.1 -0.445 121.4 -21.9 60.0-130.8 0.8 6.4 28.7 80 1083 A P T 3 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.523 114.7 115.6 -82.0 -2.9 4.1 7.5 30.3 81 1084 A L < - 0 0 12 -3,-2.7 2,-0.6 -39,-0.1 -3,-0.3 -0.480 55.0-152.0 -82.8 140.3 4.3 10.4 27.9 82 1085 A D - 0 0 101 -2,-0.2 2,-0.2 53,-0.1 -1,-0.0 -0.936 68.6 -20.4 -97.0 115.5 4.2 14.1 28.7 83 1086 A G S S- 0 0 32 -2,-0.6 -5,-0.5 38,-0.1 2,-0.4 -0.494 99.8 -32.4 88.6-154.9 2.9 16.0 25.7 84 1087 A T E -H 77 0B 26 -2,-0.2 38,-2.5 -7,-0.1 2,-0.5 -0.900 42.1-164.4-119.5 130.5 2.6 15.1 22.1 85 1088 A Y E -HI 76 121B 3 -9,-2.2 -9,-3.0 -2,-0.4 2,-0.4 -0.984 14.6-142.9-120.5 124.0 4.9 13.0 20.0 86 1089 A R E -HI 75 120B 43 34,-2.4 34,-1.9 -2,-0.5 2,-0.3 -0.679 17.9-120.1 -90.1 129.8 4.7 13.1 16.2 87 1090 A L E + I 0 119B 2 -13,-2.5 32,-0.3 -2,-0.4 -13,-0.2 -0.528 37.4 165.4 -63.2 127.0 5.2 10.0 14.0 88 1091 A I E - 0 0 36 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.672 59.5 -24.0-112.9 -35.2 8.2 10.4 11.7 89 1092 A Q E -GI 66 118B 34 29,-1.2 29,-2.9 -23,-0.2 -1,-0.4 -0.993 48.1-143.9-165.7 162.3 8.9 6.9 10.4 90 1093 A F E +GI 65 117B 0 -25,-2.0 -25,-2.7 -2,-0.3 2,-0.3 -0.985 22.4 161.5-132.5 160.2 8.6 3.2 11.1 91 1094 A H E - I 0 116B 22 25,-1.8 25,-3.3 -2,-0.3 2,-0.3 -0.931 23.4-126.0-157.5 172.1 10.9 0.3 10.4 92 1095 A F E - I 0 115B 0 -29,-0.5 2,-0.4 -2,-0.3 23,-0.2 -0.838 0.5-148.8-122.6 163.2 11.6 -3.3 11.4 93 1096 A H E + I 0 114B 3 21,-1.9 21,-2.1 -2,-0.3 2,-0.3 -0.986 31.3 170.3-124.4 137.2 14.4 -5.5 12.7 94 1097 A W E - I 0 113B 0 -2,-0.4 146,-1.3 19,-0.2 145,-1.0 -0.940 23.7-115.5-150.9 170.3 14.3 -9.2 11.7 95 1098 A G - 0 0 0 17,-1.4 6,-0.1 5,-0.6 3,-0.1 -0.470 24.1-121.2-104.4 172.2 16.2 -12.4 11.6 96 1099 A S S S+ 0 0 44 -2,-0.2 2,-0.3 142,-0.1 5,-0.1 0.661 105.9 23.2 -78.5 -23.6 17.6 -14.9 9.2 97 1100 A L S > S- 0 0 124 3,-0.2 3,-1.4 15,-0.1 -2,-0.2 -0.894 91.9-103.4-141.8 166.0 15.3 -17.5 10.8 98 1101 A D T 3 S+ 0 0 69 1,-0.3 48,-0.2 -2,-0.3 15,-0.1 0.675 109.9 69.8 -71.8 -16.4 12.0 -17.3 12.7 99 1102 A G T 3 S+ 0 0 59 13,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.334 106.7 27.7 -84.8 5.1 13.7 -18.0 16.1 100 1103 A Q < + 0 0 59 -3,-1.4 -5,-0.6 12,-0.1 -3,-0.2 -0.983 65.7 97.8-155.6 166.8 15.4 -14.6 16.2 101 1104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 -0.004 55.1 105.7 142.9 -34.7 15.1 -11.1 14.9 102 1105 A S - 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