==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/LYASE INHIBITOR 22-DEC-11 3V7X . COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.MADER,J.BRYNDA,P.REZACOVA . 258 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 63.6 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 . 58 22.5 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 . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 12.4 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 . 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 0 2 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 1003 A H 0 0 187 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.8 34.4 0.8 7.4 2 1004 A H - 0 0 132 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.436 360.0 -93.5 -85.9 156.8 30.8 1.7 8.3 3 1005 A W + 0 0 35 -2,-0.1 2,-0.2 1,-0.1 7,-0.2 -0.312 60.5 133.4 -68.6 154.6 28.8 0.2 11.1 4 1006 A G - 0 0 11 5,-2.6 10,-0.1 2,-0.2 -1,-0.1 -0.752 64.7 -77.5-165.3-145.5 26.6 -2.7 10.4 5 1007 A Y S S+ 0 0 37 -2,-0.2 5,-0.2 5,-0.2 237,-0.1 0.205 84.2 107.8-124.4 7.9 25.6 -6.2 11.6 6 1008 A G S > S- 0 0 41 4,-0.1 4,-1.9 1,-0.1 3,-0.5 -0.207 84.8 -94.3 -77.6 173.5 28.6 -8.3 10.4 7 1009 A K T 4 S+ 0 0 173 1,-0.2 -1,-0.1 2,-0.2 5,-0.1 0.863 123.4 36.4 -57.2 -39.1 31.4 -9.9 12.4 8 1010 A H T 4 S+ 0 0 119 1,-0.1 -1,-0.2 4,-0.0 -3,-0.0 0.573 131.8 26.0 -99.5 -2.8 33.8 -7.0 11.9 9 1011 A N T 4 S+ 0 0 44 -3,-0.5 -5,-2.6 -6,-0.1 -2,-0.2 0.281 95.4 110.2-135.3 12.2 31.3 -4.1 12.1 10 1012 A G S >X S- 0 0 3 -4,-1.9 3,-2.8 -5,-0.2 4,-0.8 0.103 87.1 -61.6 -86.2-169.1 28.4 -5.3 14.2 11 1013 A P T 34 S+ 0 0 27 0, 0.0 4,-0.4 0, 0.0 3,-0.4 0.717 127.3 59.9 -49.2 -30.6 27.1 -4.5 17.6 12 1014 A E T 34 S+ 0 0 144 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.633 110.7 43.9 -76.0 -10.7 30.2 -5.6 19.5 13 1015 A H T X> S+ 0 0 55 -3,-2.8 3,-1.8 1,-0.1 4,-0.5 0.585 87.4 88.6-101.8 -17.2 32.2 -3.0 17.6 14 1016 A W H >X S+ 0 0 6 -4,-0.8 4,-2.4 -3,-0.4 3,-0.7 0.798 74.1 70.0 -60.2 -31.7 29.9 -0.0 17.7 15 1017 A H H 34 S+ 0 0 63 -4,-0.4 -1,-0.3 1,-0.2 7,-0.1 0.742 87.0 67.1 -61.6 -19.5 31.3 1.3 21.0 16 1018 A K H <4 S+ 0 0 130 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.934 116.9 23.4 -69.2 -41.1 34.5 2.4 19.4 17 1019 A D H << S+ 0 0 122 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.723 136.7 36.6 -90.6 -23.4 32.8 5.1 17.3 18 1020 A F >< - 0 0 55 -4,-2.4 3,-2.7 1,-0.1 -1,-0.2 -0.752 65.3-179.0-130.7 78.6 29.8 5.5 19.6 19 1021 A P G > S+ 0 0 100 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.738 75.4 76.8 -58.3 -21.1 31.0 5.1 23.2 20 1022 A I G > S+ 0 0 58 1,-0.3 3,-2.7 179,-0.2 5,-0.2 0.658 70.0 88.9 -62.4 -9.5 27.5 5.6 24.5 21 1023 A A G < S+ 0 0 6 -3,-2.7 -1,-0.3 1,-0.3 -6,-0.1 0.744 91.7 44.2 -53.9 -27.9 27.0 2.0 23.4 22 1024 A K G < S+ 0 0 139 -3,-2.0 -1,-0.3 -7,-0.1 -2,-0.2 -0.016 97.2 128.3-104.9 24.4 28.2 1.1 26.9 23 1025 A G S < S- 0 0 15 -3,-2.7 3,-0.5 1,-0.1 -3,-0.1 0.099 72.8 -99.1 -77.3-174.2 26.0 3.8 28.5 24 1026 A E S S+ 0 0 124 1,-0.2 226,-0.3 225,-0.1 -1,-0.1 0.539 112.2 33.8 -88.0 -10.7 23.5 3.8 31.3 25 1027 A R S S+ 0 0 45 -5,-0.2 -1,-0.2 224,-0.1 2,-0.2 -0.263 78.6 155.2-145.6 57.5 20.2 3.6 29.3 26 1028 A Q - 0 0 1 -3,-0.5 220,-0.2 221,-0.3 170,-0.1 -0.492 32.8 -98.7 -86.6 153.4 20.9 1.6 26.2 27 1029 A S S S+ 0 0 0 168,-0.5 2,-0.2 -2,-0.2 -2,-0.1 -0.887 78.2 38.2-124.9 158.4 18.3 -0.4 24.2 28 1030 A P + 0 0 0 0, 0.0 218,-2.8 0, 0.0 2,-0.3 0.597 65.8 177.7 -77.2-178.3 17.0 -2.9 23.6 29 1031 A V - 0 0 1 216,-0.3 77,-1.2 -2,-0.2 2,-0.4 -0.922 35.9 -99.9-137.1 160.7 16.6 -4.8 26.8 30 1032 A D E -a 106 0A 31 216,-0.4 2,-0.8 -2,-0.3 77,-0.2 -0.727 33.9-138.5 -77.0 134.2 15.2 -8.1 28.0 31 1033 A I E -a 107 0A 0 75,-2.8 77,-2.8 -2,-0.4 2,-0.9 -0.855 11.0-159.1 -98.6 104.3 11.7 -7.6 29.5 32 1034 A D >> - 0 0 65 -2,-0.8 4,-1.7 75,-0.2 3,-1.3 -0.792 1.4-163.2 -82.3 105.9 11.6 -9.8 32.6 33 1035 A T T 34 S+ 0 0 46 -2,-0.9 -1,-0.2 1,-0.3 222,-0.0 0.743 86.0 59.8 -69.6 -21.9 7.8 -10.0 33.0 34 1036 A H T 34 S+ 0 0 165 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.383 112.1 37.7 -79.0 -13.3 8.3 -11.2 36.6 35 1037 A T T <4 S+ 0 0 102 -3,-1.3 -2,-0.2 2,-0.0 -1,-0.2 0.709 91.6 100.4-117.9 -15.2 10.1 -8.1 37.6 36 1038 A A < - 0 0 20 -4,-1.7 2,-0.4 218,-0.1 218,-0.2 -0.413 64.3-146.8 -63.9 139.2 8.1 -5.6 35.6 37 1039 A K E -c 254 0B 139 216,-1.7 218,-2.5 -2,-0.1 2,-0.1 -0.929 15.2-112.2-117.1 134.4 5.6 -3.8 37.9 38 1040 A Y E -c 255 0B 82 -2,-0.4 218,-0.2 216,-0.2 220,-0.1 -0.415 31.0-152.9 -54.0 134.3 2.2 -2.4 37.1 39 1041 A D > - 0 0 32 216,-2.4 3,-1.5 1,-0.1 -1,-0.1 -0.908 14.7-170.8-117.6 101.6 2.3 1.4 37.3 40 1042 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 216,-0.0 0.661 82.7 71.3 -66.1 -11.2 -1.1 2.9 38.2 41 1043 A S T 3 S+ 0 0 83 2,-0.1 2,-0.2 40,-0.0 -2,-0.0 0.709 73.7 105.6 -76.1 -15.4 0.4 6.4 37.4 42 1044 A L < - 0 0 29 -3,-1.5 3,-0.1 213,-0.2 38,-0.0 -0.440 66.6-141.7 -66.9 131.6 0.4 5.6 33.7 43 1045 A K E -D 80 0B 146 37,-1.8 37,-0.5 -2,-0.2 39,-0.1 -0.469 39.1 -72.9 -83.7 166.1 -2.3 7.4 31.9 44 1046 A P E - 0 0 116 0, 0.0 36,-0.9 0, 0.0 2,-0.3 -0.298 52.8-119.5 -58.6 139.5 -4.3 5.7 29.0 45 1047 A L E -D 79 0B 23 34,-0.3 2,-0.5 -3,-0.1 34,-0.2 -0.669 24.7-159.0 -80.9 137.2 -2.2 5.4 25.8 46 1048 A S E -D 78 0B 42 32,-3.0 32,-2.4 -2,-0.3 2,-0.7 -0.967 11.7-176.2-125.5 112.2 -3.5 7.1 22.8 47 1049 A V E -D 77 0B 32 -2,-0.5 2,-0.7 30,-0.2 30,-0.2 -0.952 10.1-179.0-106.9 104.7 -2.4 6.0 19.3 48 1050 A S E +D 76 0B 42 28,-2.9 28,-2.2 -2,-0.7 3,-0.2 -0.814 21.9 144.0-116.4 87.0 -4.0 8.5 16.9 49 1051 A Y > + 0 0 3 -2,-0.7 3,-1.9 26,-0.2 130,-0.2 0.314 31.4 109.1-110.5 6.2 -3.1 7.5 13.4 50 1052 A D T 3 S+ 0 0 99 1,-0.3 -1,-0.1 128,-0.1 25,-0.1 0.774 84.9 42.1 -59.9 -26.7 -6.2 8.3 11.4 51 1053 A Q T 3 S+ 0 0 124 23,-0.9 -1,-0.3 -3,-0.2 24,-0.2 0.177 82.1 144.7-104.7 20.8 -4.7 11.3 9.6 52 1054 A A < - 0 0 23 -3,-1.9 2,-0.5 22,-0.2 18,-0.1 -0.290 34.2-159.3 -59.1 143.5 -1.3 9.8 8.9 53 1055 A T - 0 0 44 16,-0.3 16,-2.8 122,-0.1 2,-0.1 -0.880 5.0-164.0-127.6 94.9 0.2 10.8 5.6 54 1056 A S E +E 68 0B 0 -2,-0.5 121,-0.6 122,-0.3 14,-0.3 -0.469 11.4 175.1 -74.6 151.7 2.9 8.4 4.4 55 1057 A L E - 0 0 75 12,-3.2 118,-2.2 1,-0.4 2,-0.3 0.668 50.4 -4.9-121.0 -43.4 5.2 9.7 1.7 56 1058 A R E -EF 67 172B 82 11,-1.2 11,-2.9 116,-0.3 -1,-0.4 -0.987 46.4-133.9-159.2 157.0 8.0 7.3 0.8 57 1059 A I E -EF 66 171B 0 114,-2.4 114,-2.2 -2,-0.3 2,-0.4 -0.983 27.7-171.7-124.9 135.3 9.8 4.1 1.6 58 1060 A L E -EF 65 170B 33 7,-2.2 7,-2.4 -2,-0.4 2,-0.7 -0.990 24.8-145.6-134.5 130.5 13.6 4.0 1.7 59 1061 A N E -E 64 0B 0 110,-2.7 109,-3.1 -2,-0.4 5,-0.2 -0.883 21.2-179.6 -89.8 111.7 16.2 1.2 2.0 60 1062 A N - 0 0 40 3,-1.9 4,-0.1 -2,-0.7 -1,-0.1 0.277 52.1-101.3 -99.0 11.0 18.9 3.0 4.1 61 1063 A G S S+ 0 0 15 2,-0.5 3,-0.1 166,-0.2 106,-0.1 0.352 117.5 54.0 87.0 -7.7 21.3 -0.0 4.1 62 1064 A H S S- 0 0 51 1,-0.6 2,-0.2 -58,-0.1 166,-0.1 0.614 125.0 -28.8-126.6 -29.5 20.3 -1.2 7.6 63 1065 A A S S- 0 0 2 -5,-0.1 -3,-1.9 31,-0.1 -1,-0.6 -0.815 71.0 -91.4-158.8-166.2 16.5 -1.5 7.3 64 1066 A F E -E 59 0B 0 29,-0.3 2,-0.5 -2,-0.2 29,-0.4 -0.989 33.8-152.0-119.8 138.4 13.7 0.1 5.3 65 1067 A N E -E 58 0B 21 -7,-2.4 -7,-2.2 -2,-0.4 2,-0.7 -0.918 9.5-152.8-110.9 130.2 11.8 3.1 6.6 66 1068 A V E -EG 57 91B 0 25,-2.8 25,-1.9 -2,-0.5 2,-0.3 -0.904 30.7-152.8 -90.9 116.1 8.2 4.1 5.7 67 1069 A E E -EG 56 90B 44 -11,-2.9 -12,-3.2 -2,-0.7 -11,-1.2 -0.730 9.3-156.6-101.6 147.5 8.4 7.9 6.2 68 1070 A F E -E 54 0B 10 21,-2.6 2,-0.8 -2,-0.3 -14,-0.2 -0.834 28.2-105.2-119.4 154.8 5.6 10.2 7.1 69 1071 A D + 0 0 45 -16,-2.8 -16,-0.3 -2,-0.3 3,-0.3 -0.716 39.4 172.3 -73.8 111.2 4.8 13.9 6.6 70 1072 A D + 0 0 42 -2,-0.8 -1,-0.1 1,-0.2 17,-0.1 0.039 43.0 110.8-113.3 26.5 5.4 15.2 10.1 71 1073 A S S S+ 0 0 82 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 0.475 86.1 23.8 -78.6 -6.2 5.0 19.0 9.2 72 1074 A Q S S- 0 0 122 -3,-0.3 2,-0.8 3,-0.0 3,-0.3 -0.926 101.7 -81.3-151.5 166.7 1.7 19.1 11.1 73 1075 A D S S+ 0 0 92 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.680 77.4 123.9 -76.0 111.8 0.0 17.3 14.0 74 1076 A K + 0 0 52 -2,-0.8 -23,-0.9 1,-0.3 2,-0.5 0.613 68.4 25.0-132.0 -52.4 -1.4 14.3 12.0 75 1077 A A S S+ 0 0 4 -3,-0.3 13,-2.8 -24,-0.2 2,-0.3 -0.990 82.3 167.0-123.3 109.4 -0.4 10.8 13.4 76 1078 A V E -DH 48 87B 14 -28,-2.2 -28,-2.9 -2,-0.5 2,-0.4 -0.927 32.5-148.2-137.0 153.4 0.5 11.2 17.0 77 1079 A L E +DH 47 86B 0 9,-2.7 9,-2.3 -2,-0.3 2,-0.3 -0.977 31.2 152.3-113.9 133.4 1.2 9.2 20.2 78 1080 A K E +D 46 0B 80 -32,-2.4 -32,-3.0 -2,-0.4 7,-0.1 -0.904 33.9 39.9-152.3 175.2 0.3 10.5 23.6 79 1081 A G E > S+D 45 0B 17 5,-0.5 3,-2.5 3,-0.4 -34,-0.3 -0.289 72.7 79.4 77.5-162.8 -0.6 9.3 27.0 80 1082 A G E 3 S-D 43 0B 5 -36,-0.9 -37,-1.8 -37,-0.5 -1,-0.2 -0.414 122.9 -19.6 61.1-129.7 0.9 6.3 28.8 81 1083 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.517 116.0 110.2 -80.5 -7.1 4.2 7.4 30.2 82 1084 A L < - 0 0 13 -3,-2.5 2,-0.6 -39,-0.1 -3,-0.4 -0.520 56.2-152.7 -85.6 141.9 4.4 10.4 27.9 83 1085 A D - 0 0 117 -2,-0.2 2,-0.1 53,-0.1 -1,-0.0 -0.918 69.0 -15.7-102.4 121.9 4.0 14.1 28.7 84 1086 A G S S- 0 0 50 -2,-0.6 -5,-0.5 38,-0.1 2,-0.4 -0.439 100.9 -34.8 86.1-155.1 2.7 16.0 25.6 85 1087 A T - 0 0 23 -2,-0.1 38,-2.7 -7,-0.1 2,-0.5 -0.903 41.9-165.0-119.5 131.8 2.4 15.0 22.0 86 1088 A Y E -HI 77 122B 3 -9,-2.3 -9,-2.7 -2,-0.4 2,-0.4 -0.966 15.3-144.7-119.1 126.7 4.8 12.9 19.9 87 1089 A R E -HI 76 121B 35 34,-2.7 34,-2.0 -2,-0.5 2,-0.3 -0.747 17.8-117.3 -97.3 135.0 4.5 12.9 16.1 88 1090 A L E + I 0 120B 2 -13,-2.8 32,-0.3 -2,-0.4 -13,-0.2 -0.510 37.7 164.8 -69.1 127.5 5.1 9.9 13.9 89 1091 A I E - 0 0 35 30,-2.7 -21,-2.6 1,-0.4 2,-0.3 0.691 60.6 -20.4-111.7 -38.0 8.0 10.4 11.6 90 1092 A Q E -GI 67 119B 33 29,-1.2 29,-3.0 -23,-0.3 -1,-0.4 -0.985 48.0-146.0-162.0 159.4 8.8 6.9 10.3 91 1093 A F E +GI 66 118B 0 -25,-1.9 -25,-2.8 -2,-0.3 2,-0.3 -0.973 22.9 160.9-128.6 158.7 8.5 3.2 11.0 92 1094 A H E - I 0 117B 22 25,-1.8 25,-3.1 -2,-0.3 2,-0.3 -0.920 23.7-127.0-156.7 175.6 10.8 0.3 10.2 93 1095 A F E - I 0 116B 0 -29,-0.4 2,-0.4 -2,-0.3 -29,-0.3 -0.876 0.5-149.3-128.7 162.8 11.5 -3.3 11.3 94 1096 A H E + I 0 115B 3 21,-2.0 21,-2.3 -2,-0.3 2,-0.3 -0.972 31.3 169.3-124.6 140.5 14.3 -5.5 12.5 95 1097 A W E - I 0 114B 0 -2,-0.4 146,-1.3 19,-0.2 145,-0.9 -0.948 23.8-115.4-152.5 170.0 14.2 -9.2 11.6 96 1098 A G - 0 0 0 17,-1.5 6,-0.1 5,-0.6 3,-0.1 -0.443 22.9-122.1-102.7 175.0 16.1 -12.5 11.5 97 1099 A S S S+ 0 0 43 -2,-0.1 2,-0.3 142,-0.1 5,-0.1 0.602 105.6 31.6 -83.0 -18.9 17.5 -15.0 9.1 98 1100 A L S > S- 0 0 107 3,-0.3 3,-1.6 15,-0.1 -2,-0.2 -0.949 90.7-110.3-140.6 155.9 15.3 -17.6 10.8 99 1101 A D T 3 S+ 0 0 72 -2,-0.3 48,-0.2 1,-0.3 15,-0.1 0.739 109.9 66.7 -65.6 -22.8 11.9 -17.4 12.4 100 1102 A G T 3 S+ 0 0 58 13,-0.1 2,-0.3 2,-0.1 11,-0.3 0.354 107.2 32.3 -83.5 9.4 13.4 -18.0 15.9 101 1103 A Q < + 0 0 53 -3,-1.6 -5,-0.6 12,-0.1 -3,-0.3 -0.981 64.9 96.1-153.3 164.0 15.3 -14.7 16.0 102 1104 A G + 0 0 0 1,-0.5 13,-0.3 -2,-0.3 11,-0.2 0.053 55.1 107.9 143.8 -30.8 15.0 -11.1 14.8 103 1105 A S - 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