==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-FEB-09 3G4H . COMPND 2 MOLECULE: REGUCALCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.CHAKRABORTI,B.J.BAHNSON . 594 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 258 43.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.2 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 . 49 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 0 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 . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 2 4 18 12 0 0 0 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 0 9 3 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 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 B S 0 0 158 0, 0.0 2,-0.4 0, 0.0 285,-0.1 0.000 360.0 360.0 360.0 172.2 -35.4 9.5 26.6 2 4 B I - 0 0 60 283,-0.1 2,-0.4 280,-0.0 282,-0.2 -0.746 360.0-170.4 -94.6 129.9 -33.4 7.2 24.2 3 5 B K E -A 283 0A 142 280,-2.4 280,-2.7 -2,-0.4 2,-0.4 -0.995 3.4-164.8-124.2 128.7 -35.3 4.6 22.2 4 6 B I E +A 282 0A 66 -2,-0.4 2,-0.4 278,-0.2 278,-0.2 -0.918 9.5 177.4-114.9 130.0 -33.4 1.9 20.2 5 7 B E E -A 281 0A 98 276,-1.5 276,-2.3 -2,-0.4 2,-1.4 -0.969 32.1-136.3-137.1 135.6 -35.0 -0.3 17.5 6 8 B C E +A 280 0A 24 -2,-0.4 274,-0.3 274,-0.2 -2,-0.0 -0.729 27.0 179.6 -86.2 92.5 -33.6 -2.9 15.2 7 9 B V E S+ 0 0 17 -2,-1.4 -1,-0.2 272,-1.0 273,-0.2 0.666 71.1 22.6 -67.0 -23.3 -35.4 -1.7 12.2 8 10 B L E -A 279 0A 16 271,-1.5 271,-2.4 -3,-0.1 2,-2.0 -0.746 59.0-155.8-158.2 111.4 -33.8 -4.4 10.1 9 11 B P + 0 0 83 0, 0.0 269,-0.1 0, 0.0 267,-0.1 -0.355 41.8 149.8 -75.6 51.7 -32.3 -7.8 11.2 10 12 B E - 0 0 31 -2,-2.0 268,-0.2 265,-0.1 267,-0.1 0.686 44.5-146.4 -58.2 -25.4 -30.2 -7.8 8.1 11 13 B N - 0 0 70 -3,-0.2 266,-0.2 1,-0.1 267,-0.2 0.938 23.7-162.1 43.7 53.5 -27.3 -9.8 9.7 12 14 B C - 0 0 1 265,-3.2 250,-1.6 1,-0.1 3,-0.3 -0.391 24.2-138.7 -63.1 135.7 -24.8 -7.9 7.6 13 15 B R S S- 0 0 113 1,-0.2 250,-2.7 248,-0.2 249,-1.0 0.979 100.5 -13.6 -51.6 -57.2 -21.3 -9.5 7.3 14 16 B C B S-D 261 0B 23 247,-0.2 18,-2.1 248,-0.2 247,-0.3 -0.620 78.5-161.9-148.8 93.3 -20.2 -5.9 7.7 15 17 B G E +E 31 0C 0 245,-2.3 2,-0.3 -3,-0.3 16,-0.2 -0.526 29.2 148.2 -77.3 134.7 -22.8 -3.2 7.3 16 18 B E E +E 30 0C 5 14,-2.1 14,-2.7 -2,-0.2 244,-0.1 -0.953 32.1 49.7-153.1 175.1 -21.4 0.3 6.7 17 19 B S E - 0 0 3 -2,-0.3 42,-0.2 12,-0.2 -1,-0.1 0.883 60.5-164.8 54.7 45.7 -21.7 3.7 5.0 18 20 B P E + 0 0 10 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.387 11.2 178.0 -61.7 132.3 -25.3 4.5 6.1 19 21 B V E -E 28 0C 21 9,-2.8 9,-2.9 228,-0.1 2,-0.5 -0.964 25.0-133.9-135.2 122.4 -26.6 7.4 4.0 20 22 B W E -E 27 0C 5 228,-0.5 2,-0.8 -2,-0.3 7,-0.2 -0.622 12.2-163.0 -74.5 113.0 -30.3 8.9 4.3 21 23 B E E >>> -E 26 0C 19 5,-3.0 5,-2.6 -2,-0.5 3,-0.7 -0.904 9.4-176.5 -92.5 98.8 -31.9 9.3 1.0 22 24 B E T 345S+ 0 0 104 -2,-0.8 3,-0.2 1,-0.2 -1,-0.1 0.825 73.1 65.4 -77.5 -22.5 -34.8 11.7 2.0 23 25 B V T 345S+ 0 0 132 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.761 119.2 24.7 -70.7 -19.4 -36.5 11.9 -1.4 24 26 B S T <45S- 0 0 35 -3,-0.7 -1,-0.2 2,-0.2 18,-0.2 0.413 105.8-124.9-116.9 0.8 -37.4 8.1 -1.2 25 27 B N T <5 + 0 0 58 -4,-0.6 17,-1.9 1,-0.2 2,-0.3 0.931 67.0 137.3 56.4 43.8 -37.3 8.0 2.7 26 28 B S E < -EF 21 41C 2 -5,-2.6 -5,-3.0 15,-0.2 2,-0.5 -0.913 56.5-132.2-120.1 150.1 -34.8 5.2 2.4 27 29 B L E -EF 20 40C 0 13,-2.1 13,-3.6 -2,-0.3 2,-0.4 -0.932 22.1-158.6-100.5 115.5 -31.4 4.3 4.2 28 30 B L E +EF 19 39C 1 -9,-2.9 -9,-2.8 -2,-0.5 2,-0.3 -0.824 26.7 148.6 -80.2 137.7 -28.6 3.4 1.7 29 31 B F E - F 0 38C 0 9,-1.8 9,-3.4 -2,-0.4 2,-0.3 -0.937 34.5-121.8-153.3-179.4 -25.8 1.3 3.2 30 32 B V E -EF 16 37C 0 -14,-2.7 -14,-2.1 -2,-0.3 2,-0.5 -0.887 5.5-150.0-126.2 159.9 -23.3 -1.3 2.1 31 33 B D E >> -EF 15 36C 13 5,-2.0 5,-1.6 -2,-0.3 4,-0.6 -0.931 26.5-159.8-121.8 94.9 -22.4 -4.8 3.2 32 34 B I T >45S+ 0 0 3 -18,-2.1 3,-1.3 -2,-0.5 24,-0.6 0.940 81.0 35.8 -59.0 -54.2 -18.6 -4.7 2.3 33 35 B P T 345S+ 0 0 42 0, 0.0 -1,-0.2 0, 0.0 24,-0.0 0.832 114.0 56.1 -71.7 -23.9 -17.6 -8.4 2.0 34 36 B A T 345S- 0 0 22 2,-0.1 -2,-0.2 22,-0.1 18,-0.1 0.532 108.0-131.7 -75.0 -3.3 -20.9 -9.5 0.5 35 37 B K T <<5 + 0 0 78 -3,-1.3 17,-2.9 -4,-0.6 2,-0.4 0.822 55.7 147.3 54.6 41.0 -20.0 -6.8 -2.1 36 38 B K E < -FG 31 51C 65 -5,-1.6 -5,-2.0 15,-0.2 2,-0.5 -0.858 46.2-153.6-114.4 129.7 -23.6 -5.3 -1.8 37 39 B V E -FG 30 50C 0 13,-2.8 13,-2.8 -2,-0.4 2,-0.3 -0.895 31.5-163.0 -89.1 133.8 -25.1 -1.8 -2.1 38 40 B C E -FG 29 49C 0 -9,-3.4 -9,-1.8 -2,-0.5 2,-0.3 -0.870 21.5-172.1-124.0 153.3 -28.2 -1.8 -0.1 39 41 B R E -FG 28 48C 37 9,-2.1 9,-2.3 -2,-0.3 2,-0.5 -0.906 8.0-161.9-148.7 113.7 -31.4 0.4 0.3 40 42 B W E -FG 27 47C 1 -13,-3.6 -13,-2.1 -2,-0.3 2,-0.6 -0.897 15.8-140.0-101.4 130.2 -34.0 -0.1 3.1 41 43 B D E > -F 26 0C 45 5,-2.3 4,-1.5 -2,-0.5 -15,-0.2 -0.770 7.9-157.2 -87.4 118.8 -37.5 1.5 2.5 42 44 B S T 4 S+ 0 0 11 -17,-1.9 -1,-0.1 -2,-0.6 -16,-0.1 0.662 90.0 46.4 -75.9 -15.7 -38.4 2.9 5.8 43 45 B F T 4 S+ 0 0 148 -18,-0.3 -1,-0.1 3,-0.1 -18,-0.1 0.932 122.7 28.3 -90.2 -58.7 -42.1 2.8 4.8 44 46 B T T 4 S- 0 0 92 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.724 97.3-136.9 -68.4 -23.9 -42.6 -0.7 3.3 45 47 B K < + 0 0 109 -4,-1.5 2,-0.3 1,-0.2 -3,-0.1 0.418 58.6 132.0 79.1 6.7 -39.8 -2.0 5.5 46 48 B Q - 0 0 140 -6,-0.1 -5,-2.3 -38,-0.0 2,-0.4 -0.568 47.8-141.9 -94.6 143.8 -38.2 -4.0 2.6 47 49 B V E -G 40 0C 26 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.900 9.6-165.4-111.3 124.7 -34.5 -4.0 1.5 48 50 B Q E -G 39 0C 84 -9,-2.3 -9,-2.1 -2,-0.4 2,-0.4 -0.906 12.1-168.8 -98.5 149.1 -33.3 -4.1 -2.1 49 51 B R E -G 38 0C 113 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.999 14.2-155.0-143.8 135.0 -29.6 -5.0 -2.8 50 52 B V E -G 37 0C 7 -13,-2.8 -13,-2.8 -2,-0.4 2,-0.6 -0.956 18.1-137.1-110.2 134.5 -27.4 -4.8 -5.8 51 53 B T E -G 36 0C 77 -2,-0.4 -15,-0.2 -15,-0.2 2,-0.2 -0.794 19.9-166.8 -94.2 114.9 -24.3 -7.1 -6.1 52 54 B M - 0 0 9 -17,-2.9 4,-0.1 -2,-0.6 32,-0.1 -0.467 29.3-116.3 -88.8 174.3 -21.0 -5.5 -7.4 53 55 B D S S+ 0 0 142 -2,-0.2 -18,-0.0 2,-0.1 -2,-0.0 0.471 95.7 32.4 -95.3 -4.4 -17.9 -7.4 -8.5 54 56 B A S S- 0 0 27 -19,-0.2 -2,-0.2 18,-0.0 45,-0.0 -0.940 109.1 -68.3-145.4 156.5 -15.5 -6.1 -5.9 55 57 B P - 0 0 36 0, 0.0 17,-2.4 0, 0.0 2,-0.6 -0.223 46.3-143.8 -49.8 137.7 -16.1 -5.2 -2.2 56 58 B V E +H 71 0D 0 -24,-0.6 15,-0.2 -25,-0.4 -20,-0.2 -0.923 23.3 174.4-107.1 119.2 -18.3 -2.0 -2.0 57 59 B S E + 0 0 1 13,-2.6 2,-0.3 -2,-0.6 46,-0.2 0.610 60.6 6.7-105.2 -14.3 -17.1 0.2 1.0 58 60 B S E -H 70 0D 0 12,-0.7 12,-1.5 44,-0.1 2,-0.3 -0.990 52.9-161.0-159.8 165.0 -19.3 3.3 0.5 59 61 B V E -H 69 0D 2 44,-0.3 2,-0.3 -2,-0.3 10,-0.2 -0.994 11.0-178.9-146.9 148.5 -22.1 4.9 -1.5 60 62 B A E -H 68 0D 5 8,-3.0 8,-2.4 -2,-0.3 2,-0.2 -0.966 33.1 -96.0-146.5 158.5 -23.1 8.4 -2.0 61 63 B L E -H 67 0D 28 232,-0.5 234,-3.8 -2,-0.3 2,-0.6 -0.549 31.7-138.0 -73.6 151.0 -25.8 10.4 -3.8 62 64 B R B > -k 295 0E 55 4,-2.0 3,-3.2 232,-0.3 234,-0.2 -0.920 5.8-142.6-116.0 112.2 -25.0 11.8 -7.3 63 65 B Q T 3 S+ 0 0 139 232,-1.4 -1,-0.2 -2,-0.6 233,-0.2 0.856 103.1 46.5 -36.8 -45.7 -26.3 15.3 -7.9 64 66 B S T 3 S- 0 0 94 231,-0.5 -1,-0.3 233,-0.4 2,-0.1 0.540 129.9 -69.9 -80.9 -5.4 -27.2 14.5 -11.5 65 67 B G S < S+ 0 0 48 -3,-3.2 -1,-0.2 1,-0.3 -2,-0.1 -0.269 91.9 29.2 127.8 146.3 -28.9 11.2 -10.7 66 68 B G S S- 0 0 35 -3,-0.1 -4,-2.0 -2,-0.1 -1,-0.3 -0.362 87.4 -61.7 72.6-152.1 -28.2 7.6 -9.4 67 69 B Y E -HI 61 78D 13 11,-3.2 11,-3.7 -6,-0.2 2,-0.3 -0.746 25.7-143.2-129.3 161.6 -25.3 6.9 -7.1 68 70 B V E +HI 60 77D 0 -8,-2.4 -8,-3.0 9,-0.3 2,-0.3 -0.932 29.9 174.8-117.3 159.3 -21.5 7.0 -6.8 69 71 B A E -HI 59 76D 0 7,-2.0 7,-3.1 -2,-0.3 2,-0.6 -0.980 33.8-120.6-158.9 155.0 -19.6 4.3 -4.9 70 72 B T E +HI 58 75D 0 -12,-1.5 -13,-2.6 -2,-0.3 -12,-0.7 -0.943 33.1 177.2-112.7 117.6 -16.2 3.0 -4.0 71 73 B I E > -HI 56 74D 5 3,-2.7 3,-1.6 -2,-0.6 -15,-0.2 -0.981 63.0 -36.8-130.7 117.1 -15.7 -0.5 -5.3 72 74 B G T 3 S- 0 0 12 -17,-2.4 28,-3.3 -2,-0.5 -15,-0.1 -0.510 126.4 -30.6 58.6-125.8 -12.2 -2.1 -4.7 73 75 B T T 3 S+ 0 0 18 26,-0.3 18,-2.7 -2,-0.2 2,-0.4 -0.110 121.0 104.6-104.8 32.3 -9.8 0.8 -5.2 74 76 B K E < -IJ 71 90D 78 -3,-1.6 -3,-2.7 16,-0.2 2,-0.6 -0.955 64.9-143.7-124.4 135.1 -12.2 2.5 -7.8 75 77 B F E -IJ 70 89D 0 14,-1.7 13,-2.1 -2,-0.4 14,-1.2 -0.863 39.8-177.2 -83.6 113.9 -14.6 5.5 -7.5 76 78 B C E -IJ 69 87D 5 -7,-3.1 -7,-2.0 -2,-0.6 2,-0.4 -0.816 29.3-125.6-116.8 154.6 -17.5 4.3 -9.7 77 79 B A E -IJ 68 86D 10 9,-1.5 9,-2.4 -2,-0.3 2,-0.6 -0.849 29.4-151.8 -92.8 143.6 -20.9 5.7 -10.9 78 80 B L E -IJ 67 85D 5 -11,-3.7 -11,-3.2 -2,-0.4 2,-0.7 -0.958 15.4-167.4-126.2 114.7 -23.8 3.5 -10.0 79 81 B N >> - 0 0 83 5,-1.1 4,-1.6 -2,-0.6 3,-0.9 -0.929 8.4-165.5 -98.7 117.1 -26.9 3.3 -11.9 80 82 B W T 34 S+ 0 0 21 -2,-0.7 -1,-0.1 1,-0.3 5,-0.0 0.800 79.9 63.4 -82.7 -28.7 -29.3 1.4 -9.6 81 83 B K T 34 S+ 0 0 166 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.0 0.628 118.6 23.8 -72.9 -14.8 -31.9 0.7 -12.3 82 84 B E T <4 S- 0 0 137 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.1 0.740 98.5-132.7-102.2 -66.3 -29.6 -1.4 -14.3 83 85 B Q < + 0 0 108 -4,-1.6 2,-0.3 1,-0.4 -3,-0.1 0.535 60.8 108.9 127.5 24.2 -27.0 -2.5 -11.8 84 86 B S - 0 0 81 -5,-0.4 -5,-1.1 -32,-0.1 -1,-0.4 -0.916 57.2-129.5-123.0 152.0 -23.6 -2.0 -13.3 85 87 B A E -J 78 0D 28 -2,-0.3 2,-0.6 -7,-0.2 -7,-0.2 -0.660 7.4-145.2 -99.7 145.1 -21.0 0.5 -12.3 86 88 B V E -J 77 0D 97 -9,-2.4 -9,-1.5 -2,-0.3 -8,-0.0 -0.898 26.6-123.4-114.3 106.9 -19.1 2.8 -14.6 87 89 B V E +J 76 0D 82 -2,-0.6 -11,-0.2 -11,-0.2 3,-0.1 -0.152 33.3 172.8 -51.0 132.3 -15.5 3.4 -13.5 88 90 B L E - 0 0 27 -13,-2.1 2,-0.3 1,-0.5 -12,-0.2 0.492 66.2 -12.6-109.3 -22.1 -14.8 7.2 -13.0 89 91 B A E -J 75 0D 15 -14,-1.2 -14,-1.7 51,-0.1 -1,-0.5 -0.916 55.6-140.7-175.8 152.9 -11.3 6.9 -11.5 90 92 B T E -J 74 0D 49 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.951 16.2-175.3-121.4 143.1 -8.8 4.4 -9.9 91 93 B V + 0 0 5 -18,-2.7 -18,-0.1 -2,-0.3 4,-0.1 -0.825 62.8 27.9-123.6 172.1 -6.4 4.9 -7.0 92 94 B D > + 0 0 5 -2,-0.3 3,-2.5 1,-0.1 6,-0.3 0.752 62.1 159.5 57.6 26.6 -3.7 2.7 -5.4 93 95 B N T 3 S+ 0 0 104 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.806 73.2 54.8 -51.8 -34.8 -2.9 0.9 -8.6 94 96 B D T 3 S+ 0 0 106 1,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.476 94.8 77.6 -76.3 -11.2 0.6 -0.1 -7.2 95 97 B K X - 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