==== 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 3G4E . 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) . 24226.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 67.0 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 . 264 44.4 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 . 10 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 0 0.0 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 . 47 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 . 8 0 2 4 17 12 1 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 8 4 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 A S 0 0 158 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.0 29.6 5.9 27.7 2 4 A I - 0 0 58 283,-0.1 2,-0.4 280,-0.0 282,-0.2 -0.674 360.0-147.1 -99.7 164.1 30.8 4.5 24.3 3 5 A K E -A 283 0A 142 280,-2.4 280,-2.7 -2,-0.3 2,-0.4 -0.995 9.1-162.6-129.4 127.9 29.1 1.8 22.3 4 6 A I E +A 282 0A 59 -2,-0.4 2,-0.4 278,-0.2 278,-0.2 -0.934 9.5 179.4-115.7 133.4 31.1 -0.7 20.2 5 7 A E E -A 281 0A 104 276,-2.5 276,-2.9 -2,-0.4 2,-1.0 -0.998 31.0-136.4-135.5 130.2 29.5 -2.8 17.5 6 8 A C E +A 280 0A 23 -2,-0.4 274,-0.2 274,-0.2 -2,-0.0 -0.800 30.2 178.2 -77.9 101.7 31.0 -5.3 15.1 7 9 A V E S+ 0 0 23 272,-1.6 -1,-0.2 -2,-1.0 273,-0.2 0.658 71.1 23.2 -85.7 -18.5 29.1 -4.1 12.1 8 10 A L E -A 279 0A 18 271,-1.5 271,-2.6 -3,-0.1 2,-2.4 -0.837 64.4-158.6-150.8 103.1 30.7 -6.5 9.7 9 11 A P + 0 0 77 0, 0.0 269,-0.2 0, 0.0 267,-0.1 -0.440 35.4 154.3 -79.6 72.0 32.2 -9.7 11.0 10 12 A E - 0 0 34 -2,-2.4 268,-0.2 267,-0.2 267,-0.1 0.588 43.3-141.9 -85.6 -12.0 34.4 -9.9 7.8 11 13 A N - 0 0 81 264,-0.2 266,-0.2 -3,-0.2 267,-0.2 0.855 28.5-166.7 53.2 39.1 37.2 -12.0 9.3 12 14 A C - 0 0 1 265,-2.0 250,-1.6 1,-0.1 3,-0.4 -0.316 27.1-138.7 -59.2 140.1 39.8 -10.0 7.3 13 15 A R S S- 0 0 119 1,-0.3 250,-2.7 248,-0.2 249,-0.7 0.959 99.1 -10.6 -60.6 -49.7 43.3 -11.4 7.2 14 16 A C B S-D 261 0B 26 247,-0.2 18,-2.0 248,-0.2 -1,-0.3 -0.656 77.8-161.7-151.6 89.1 44.4 -7.9 7.6 15 17 A G E +E 31 0C 0 245,-2.0 2,-0.3 -3,-0.4 16,-0.2 -0.498 28.9 150.5 -75.2 143.8 41.7 -5.3 7.3 16 18 A E E +E 30 0C 4 14,-2.4 14,-2.7 -2,-0.2 229,-0.1 -0.940 30.6 45.9-158.2 173.4 43.1 -1.8 6.6 17 19 A S E - 0 0 5 -2,-0.3 42,-0.2 12,-0.2 2,-0.2 0.839 60.4-164.1 50.7 51.8 42.7 1.7 5.1 18 20 A P E + 0 0 10 0, 0.0 2,-0.3 0, 0.0 11,-0.2 -0.481 12.6 175.2 -69.2 134.4 39.2 2.5 6.2 19 21 A V E -E 28 0C 20 9,-2.5 9,-3.3 -2,-0.2 2,-0.5 -0.989 25.3-134.5-138.7 127.5 37.7 5.4 4.2 20 22 A W E -E 27 0C 5 228,-0.4 2,-0.8 -2,-0.3 7,-0.2 -0.705 10.8-161.0 -85.7 128.7 34.2 6.7 4.5 21 23 A E E >>> -E 26 0C 18 5,-3.3 5,-1.9 -2,-0.5 3,-1.2 -0.843 9.4-178.4-105.3 94.1 32.4 7.4 1.2 22 24 A E T 345S+ 0 0 106 -2,-0.8 3,-0.4 1,-0.3 -1,-0.2 0.811 74.3 69.6 -70.9 -23.3 29.5 9.7 2.3 23 25 A V T 345S+ 0 0 136 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.752 119.5 20.7 -69.0 -16.3 28.1 10.0 -1.3 24 26 A S T <45S- 0 0 34 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.312 104.4-121.0-123.0 5.0 27.1 6.3 -1.0 25 27 A N T <5S+ 0 0 83 -4,-0.8 17,-2.4 -3,-0.4 2,-0.3 0.920 70.4 133.8 52.0 48.9 27.1 6.0 2.9 26 28 A S E < -EF 21 41C 6 -5,-1.9 -5,-3.3 15,-0.2 2,-0.5 -0.916 57.8-130.2-128.1 151.8 29.7 3.2 2.5 27 29 A L E -EF 20 40C 0 13,-2.4 13,-2.9 -2,-0.3 2,-0.3 -0.936 20.2-156.5-101.7 125.0 32.9 2.3 4.2 28 30 A L E +EF 19 39C 0 -9,-3.3 -9,-2.5 -2,-0.5 2,-0.3 -0.763 27.8 149.9 -90.3 141.1 35.8 1.5 1.8 29 31 A F E - F 0 38C 0 9,-2.3 9,-3.2 -2,-0.3 2,-0.3 -0.960 32.9-128.0-159.6 171.0 38.6 -0.7 3.1 30 32 A V E -EF 16 37C 0 -14,-2.7 -14,-2.4 -2,-0.3 2,-0.5 -0.903 6.3-148.5-121.8 159.9 41.2 -3.2 2.0 31 33 A D E >> -EF 15 36C 17 5,-2.4 5,-1.8 -2,-0.3 4,-0.7 -0.948 27.3-157.0-121.2 102.0 42.2 -6.7 3.1 32 34 A I T >45S+ 0 0 4 -18,-2.0 3,-1.3 -2,-0.5 24,-1.1 0.905 81.0 32.9 -60.3 -56.5 45.9 -6.5 2.2 33 35 A P T 345S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 24,-0.1 0.732 114.3 60.1 -78.1 -13.6 47.1 -10.1 1.7 34 36 A A T 345S- 0 0 30 -3,-0.3 -2,-0.2 2,-0.1 18,-0.1 0.574 107.2-130.8 -78.0 -8.2 43.7 -11.2 0.3 35 37 A K T <<5 + 0 0 74 -3,-1.3 17,-3.0 -4,-0.7 2,-0.4 0.793 56.5 143.8 64.0 32.4 44.4 -8.6 -2.4 36 38 A K E < -FG 31 51C 70 -5,-1.8 -5,-2.4 15,-0.2 2,-0.5 -0.872 46.0-159.8-117.6 140.8 40.9 -7.1 -2.0 37 39 A V E -FG 30 50C 0 13,-2.3 13,-2.8 -2,-0.4 2,-0.3 -0.951 30.1-167.7-104.8 128.6 39.4 -3.6 -2.1 38 40 A C E -FG 29 49C 1 -9,-3.2 -9,-2.3 -2,-0.5 2,-0.4 -0.880 19.5-163.8-124.6 148.8 36.0 -3.7 -0.3 39 41 A R E -FG 28 48C 50 9,-2.1 9,-2.2 -2,-0.3 2,-0.6 -0.994 8.0-162.4-126.4 122.9 32.9 -1.5 0.1 40 42 A W E -FG 27 47C 8 -13,-2.9 -13,-2.4 -2,-0.4 2,-0.6 -0.949 13.8-141.7-110.7 122.4 30.4 -2.0 2.8 41 43 A D E > -F 26 0C 50 5,-2.8 4,-2.2 -2,-0.6 5,-0.3 -0.721 6.4-155.7 -83.0 116.1 27.0 -0.3 2.3 42 44 A S T 4 S+ 0 0 27 -17,-2.4 -1,-0.1 -2,-0.6 -16,-0.1 0.650 89.8 47.6 -72.6 -13.1 26.0 0.9 5.8 43 45 A F T 4 S+ 0 0 167 -18,-0.3 -1,-0.2 3,-0.1 -18,-0.1 0.905 123.3 27.2 -91.4 -50.3 22.2 0.8 4.8 44 46 A T T 4 S- 0 0 64 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.652 96.3-135.9 -84.8 -13.1 21.9 -2.6 3.2 45 47 A K < + 0 0 120 -4,-2.2 2,-0.3 1,-0.3 -3,-0.1 0.603 58.6 135.0 68.5 16.4 24.8 -4.1 5.3 46 48 A Q - 0 0 133 -5,-0.3 -5,-2.8 -38,-0.0 2,-0.4 -0.709 44.8-143.9 -99.1 153.5 26.2 -5.8 2.2 47 49 A V E -G 40 0C 30 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.899 6.9-162.5-119.3 134.6 29.8 -5.9 1.0 48 50 A Q E -G 39 0C 113 -9,-2.2 -9,-2.1 -2,-0.4 2,-0.4 -0.936 14.0-170.6 -99.1 147.1 31.3 -5.7 -2.6 49 51 A R E -G 38 0C 114 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.999 11.4-161.2-140.4 139.5 34.9 -6.8 -3.0 50 52 A V E -G 37 0C 8 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.5 -0.978 16.9-138.6-119.8 134.6 37.2 -6.6 -6.0 51 53 A T E -G 36 0C 82 -2,-0.4 -15,-0.2 -15,-0.2 2,-0.1 -0.850 17.7-165.2 -98.4 122.8 40.3 -8.8 -6.3 52 54 A M - 0 0 12 -17,-3.0 4,-0.1 -2,-0.5 32,-0.0 -0.284 30.7-110.9 -94.3-178.1 43.6 -7.3 -7.5 53 55 A D S S+ 0 0 163 -2,-0.1 -18,-0.1 2,-0.1 -2,-0.0 0.365 95.4 24.5-101.0 4.6 46.7 -9.1 -8.7 54 56 A A S S- 0 0 30 -19,-0.2 -2,-0.2 -22,-0.0 -20,-0.0 -0.938 106.9 -60.3-154.2 166.1 49.0 -8.1 -5.8 55 57 A P - 0 0 33 0, 0.0 17,-2.5 0, 0.0 2,-0.6 -0.273 48.7-147.9 -53.0 137.7 48.6 -7.1 -2.1 56 58 A V E +H 71 0D 0 -24,-1.1 15,-0.2 -25,-0.3 -20,-0.2 -0.952 21.0 174.8-116.0 115.0 46.5 -3.9 -1.9 57 59 A S E + 0 0 2 13,-2.3 2,-0.3 -2,-0.6 46,-0.2 0.668 59.2 9.6-100.8 -18.2 47.5 -1.8 1.0 58 60 A S E -H 70 0D 0 12,-0.8 12,-2.0 44,-0.1 2,-0.3 -0.975 53.0-164.6-154.3 158.4 45.5 1.4 0.8 59 61 A V E +H 69 0D 2 -2,-0.3 2,-0.3 -42,-0.2 10,-0.2 -0.964 11.2 179.9-141.0 150.6 42.6 2.9 -1.2 60 62 A A E -H 68 0D 6 8,-2.5 8,-2.3 -2,-0.3 2,-0.1 -0.965 34.9 -91.5-146.7 161.7 41.5 6.5 -1.6 61 63 A L E -H 67 0D 27 232,-0.5 234,-3.1 -2,-0.3 2,-0.5 -0.483 31.4-149.2 -71.1 146.7 38.8 8.5 -3.3 62 64 A R B > -k 295 0E 61 4,-1.8 3,-1.6 232,-0.2 234,-0.1 -0.988 7.6-145.5-119.5 121.1 39.6 9.8 -6.8 63 65 A Q T 3 S+ 0 0 147 232,-2.2 -1,-0.1 -2,-0.5 3,-0.1 0.859 97.1 54.7 -55.1 -40.2 37.8 13.0 -7.6 64 66 A S T 3 S- 0 0 95 231,-0.4 -1,-0.3 233,-0.4 2,-0.1 0.628 128.3 -68.4 -75.1 -10.8 37.4 12.3 -11.3 65 67 A G S < S+ 0 0 42 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 -0.321 95.2 23.9 133.9 146.3 35.7 8.9 -10.5 66 68 A G S S- 0 0 32 -3,-0.1 -4,-1.8 -2,-0.1 -1,-0.3 -0.390 86.9 -65.8 69.6-154.1 36.5 5.6 -9.0 67 69 A Y E -HI 61 78D 8 11,-2.0 11,-3.5 -6,-0.2 2,-0.3 -0.816 25.0-137.0-130.8 163.2 39.4 5.1 -6.7 68 70 A V E +HI 60 77D 0 -8,-2.3 -8,-2.5 -2,-0.3 2,-0.3 -0.882 31.2 174.8-115.7 158.4 43.2 5.2 -6.4 69 71 A A E -HI 59 76D 0 7,-2.7 7,-2.8 -2,-0.3 2,-0.6 -0.995 34.6-118.0-156.7 158.8 45.0 2.5 -4.6 70 72 A T E +HI 58 75D 0 -12,-2.0 -13,-2.3 -2,-0.3 -12,-0.8 -0.917 33.9 178.2-105.6 118.8 48.5 1.2 -3.7 71 73 A I E > -HI 56 74D 15 3,-2.5 3,-2.7 -2,-0.6 -15,-0.2 -0.979 62.7 -40.1-126.5 124.1 49.0 -2.3 -5.1 72 74 A G T 3 S- 0 0 16 -17,-2.5 28,-2.7 -2,-0.5 -15,-0.2 -0.437 125.1 -31.5 52.3-124.9 52.4 -3.9 -4.6 73 75 A T T 3 S+ 0 0 30 26,-0.2 18,-2.4 -2,-0.1 2,-0.4 -0.061 119.1 104.5-107.7 33.4 54.7 -1.0 -5.1 74 76 A K E < -IJ 71 90D 90 -3,-2.7 -3,-2.5 16,-0.2 2,-0.5 -0.940 64.9-139.6-116.6 133.7 52.5 0.7 -7.6 75 77 A F E -IJ 70 89D 0 14,-2.8 13,-3.0 -2,-0.4 14,-1.5 -0.781 40.3-176.4 -81.0 126.6 50.2 3.7 -7.4 76 78 A C E -IJ 69 87D 5 -7,-2.8 -7,-2.7 -2,-0.5 2,-0.5 -0.941 32.7-133.5-131.8 148.1 47.2 2.7 -9.4 77 79 A A E -IJ 68 86D 7 9,-2.9 9,-2.2 -2,-0.3 2,-0.6 -0.856 28.9-151.1 -89.7 130.9 43.8 4.1 -10.7 78 80 A L E -IJ 67 85D 4 -11,-3.5 -11,-2.0 -2,-0.5 2,-1.1 -0.919 10.0-157.2-113.6 114.0 41.1 1.6 -10.0 79 81 A N E >> - J 0 84D 42 5,-2.7 4,-2.4 -2,-0.6 5,-1.0 -0.787 11.6-170.5 -84.8 105.7 38.0 1.5 -12.2 80 82 A W T 45S+ 0 0 23 -2,-1.1 -1,-0.2 1,-0.2 5,-0.0 0.941 82.4 55.7 -56.3 -60.9 35.6 -0.1 -9.8 81 83 A K T 45S+ 0 0 190 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.872 121.0 28.0 -38.0 -53.8 33.0 -0.7 -12.4 82 84 A E T 45S- 0 0 146 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.727 100.1-129.5 -88.6 -17.5 35.5 -2.8 -14.8 83 85 A Q T <5 + 0 0 126 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.884 62.3 135.2 60.8 50.2 37.7 -4.1 -12.0 84 86 A S E < -J 79 0D 43 -5,-1.0 -5,-2.7 -32,-0.0 2,-0.4 -0.858 44.6-146.4-127.5 146.8 40.8 -2.9 -13.8 85 87 A A E -J 78 0D 49 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.925 3.9-160.7-116.9 138.7 43.8 -1.1 -12.5 86 88 A V E -J 77 0D 91 -9,-2.2 -9,-2.9 -2,-0.4 2,-0.4 -0.993 24.3-125.5-118.8 123.9 45.9 1.4 -14.4 87 89 A V E +J 76 0D 76 -2,-0.5 -11,-0.3 -11,-0.2 3,-0.1 -0.579 28.2 176.5 -69.6 124.2 49.4 2.1 -13.1 88 90 A L E - 0 0 28 -13,-3.0 2,-0.3 -2,-0.4 -12,-0.2 0.785 67.9 -20.1 -92.2 -40.2 50.0 5.8 -12.5 89 91 A A E -J 75 0D 17 -14,-1.5 -14,-2.8 51,-0.0 -1,-0.4 -0.974 57.6-140.9-165.2 157.3 53.5 5.4 -11.0 90 92 A T E -J 74 0D 61 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.949 14.5-172.7-128.1 153.2 55.9 2.9 -9.5 91 93 A V + 0 0 5 -18,-2.4 -18,-0.1 -2,-0.3 9,-0.1 -0.857 59.6 35.7-133.8 167.8 58.4 3.1 -6.6 92 94 A D > + 0 0 10 -2,-0.3 3,-2.4 1,-0.1 6,-0.2 0.831 58.0 161.5 56.5 37.6 61.1 0.9 -5.0 93 95 A N T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.697 71.8 56.9 -53.9 -25.3 62.1 -0.7 -8.3 94 96 A D T 3 S+ 0 0 124 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 0.473 84.3 115.0 -89.2 1.0 65.3 -1.7 -6.7 95 97 A K < - 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