==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-AUG-12 4GN7 . COMPND 2 MOLECULE: REGUCALCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR S.AIZAWA,M.SENDA,A.HARADA,N.MARUYAMA,T.ISHIDA,T.AIGAKI,A.ISH . 594 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 70.5 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 . 269 45.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 2.9 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 . 2 0.3 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 . 58 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.9 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 0 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 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 . 10 0 2 5 14 14 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 0 155 0, 0.0 2,-0.3 0, 0.0 284,-0.1 0.000 360.0 360.0 360.0 114.2 15.3 -17.4 9.7 2 4 A I - 0 0 74 283,-0.1 2,-0.4 282,-0.1 282,-0.2 -0.540 360.0-167.5 -72.8 132.5 18.7 -17.8 8.1 3 5 A K E -A 283 0A 113 280,-2.8 280,-2.5 -2,-0.3 2,-0.5 -0.987 10.2-163.5-126.9 128.7 18.6 -18.7 4.5 4 6 A V E +A 282 0A 46 -2,-0.4 2,-0.4 278,-0.2 278,-0.2 -0.941 19.6 173.2-110.1 124.7 21.5 -19.9 2.4 5 7 A E E -A 281 0A 91 276,-2.3 276,-3.0 -2,-0.5 2,-0.8 -0.988 36.1-129.4-138.2 136.4 21.0 -19.8 -1.4 6 8 A C E +A 280 0A 14 -2,-0.4 274,-0.3 274,-0.2 3,-0.1 -0.786 34.4 171.5 -83.8 112.7 23.1 -20.3 -4.5 7 9 A V E + 0 0 30 272,-2.0 2,-0.3 -2,-0.8 273,-0.2 0.573 60.0 37.4-107.3 -12.2 22.4 -17.2 -6.5 8 10 A L E -A 279 0A 10 271,-1.5 271,-2.3 32,-0.0 2,-0.9 -0.898 60.0-168.3-143.4 114.8 24.9 -17.3 -9.4 9 11 A R + 0 0 139 -2,-0.3 269,-0.1 269,-0.2 268,-0.0 -0.648 42.3 125.2-106.7 77.1 25.8 -20.6 -11.1 10 12 A E - 0 0 47 -2,-0.9 -1,-0.2 267,-0.2 268,-0.1 0.445 66.8-128.9-112.0 -5.0 28.7 -19.8 -13.3 11 13 A N - 0 0 28 -3,-0.3 267,-0.2 1,-0.1 266,-0.1 0.929 30.7-165.5 59.4 54.9 31.0 -22.6 -11.9 12 14 A Y - 0 0 8 265,-1.6 250,-0.3 1,-0.1 3,-0.2 -0.304 22.4-134.3 -66.7 154.2 34.1 -20.4 -11.1 13 15 A R S S- 0 0 35 1,-0.2 250,-2.3 248,-0.2 249,-1.9 0.908 94.4 -4.9 -77.0 -42.6 37.4 -22.3 -10.4 14 16 A C B S-D 261 0B 24 247,-0.2 18,-1.9 248,-0.2 247,-0.2 -0.605 74.7-162.0-152.9 86.4 38.2 -20.1 -7.4 15 17 A G E +E 31 0C 0 245,-1.9 2,-0.3 -3,-0.2 16,-0.2 -0.439 26.8 156.0 -68.0 142.8 35.8 -17.3 -6.7 16 18 A E E +E 30 0C 5 14,-2.1 14,-2.3 1,-0.1 229,-0.1 -0.960 34.2 37.8-159.6 169.8 37.3 -14.6 -4.5 17 19 A S E - 0 0 5 -2,-0.3 42,-0.3 12,-0.2 2,-0.2 0.861 61.6-165.0 49.2 53.3 37.3 -11.0 -3.3 18 20 A P E + 0 0 7 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.525 10.6 178.2 -68.6 136.2 33.6 -10.3 -3.4 19 21 A V E -E 28 0C 22 9,-2.5 9,-3.2 -2,-0.2 2,-0.5 -0.994 23.1-134.2-139.7 128.1 32.9 -6.5 -3.2 20 22 A W E -E 27 0C 10 228,-0.4 2,-0.8 -2,-0.4 7,-0.2 -0.749 11.4-161.2 -88.6 126.2 29.4 -4.9 -3.3 21 23 A E E >>> -E 26 0C 28 5,-2.9 5,-1.7 -2,-0.5 3,-1.0 -0.857 6.5-175.4-105.3 98.2 29.0 -1.9 -5.6 22 24 A E G >45S+ 0 0 56 -2,-0.8 3,-0.6 1,-0.2 -1,-0.2 0.873 79.4 63.9 -60.0 -37.9 25.8 -0.0 -4.4 23 25 A A G 345S+ 0 0 102 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.788 120.1 22.8 -59.4 -29.5 26.0 2.5 -7.3 24 26 A S G <45S- 0 0 38 -3,-1.0 19,-0.3 2,-0.2 -1,-0.3 0.355 100.1-125.7-116.9 2.8 25.5 -0.3 -9.9 25 27 A Q T <<5 + 0 0 109 -4,-1.0 17,-1.8 -3,-0.6 2,-0.3 0.883 68.6 134.6 47.9 44.4 23.8 -2.9 -7.6 26 28 A S E < -EF 21 41C 2 -5,-1.7 -5,-2.9 15,-0.2 2,-0.6 -0.861 57.4-132.2-122.2 151.4 26.5 -5.3 -8.8 27 29 A L E -EF 20 40C 0 13,-2.4 13,-3.0 -2,-0.3 2,-0.4 -0.924 21.9-158.5-100.2 124.6 28.8 -7.8 -7.1 28 30 A L E +EF 19 39C 1 -9,-3.2 -9,-2.5 -2,-0.6 2,-0.3 -0.814 28.2 139.1 -97.0 144.9 32.4 -7.5 -8.1 29 31 A F E - F 0 38C 0 9,-1.8 9,-3.2 -2,-0.4 2,-0.3 -0.955 38.1-119.8-165.2 178.1 34.7 -10.5 -7.7 30 32 A V E -EF 16 37C 0 -14,-2.3 -14,-2.1 -2,-0.3 2,-0.5 -0.913 5.4-147.3-126.4 157.6 37.5 -12.4 -9.3 31 33 A D E > > -EF 15 36C 5 5,-1.9 5,-1.1 -2,-0.3 3,-0.7 -0.917 28.7-155.1-118.1 100.7 38.0 -16.0 -10.5 32 34 A I G > 5S+ 0 0 7 -18,-1.9 3,-1.4 -2,-0.5 24,-1.0 0.855 81.7 32.1 -53.9 -59.7 41.7 -16.3 -9.7 33 35 A P G 3 5S+ 0 0 29 0, 0.0 -1,-0.3 0, 0.0 24,-0.1 0.691 112.8 64.3 -75.4 -13.9 43.2 -18.9 -12.0 34 36 A S G < 5S- 0 0 5 -3,-0.7 -2,-0.2 2,-0.1 18,-0.1 0.461 102.5-133.7 -84.9 -2.8 40.7 -18.1 -14.7 35 37 A K T < 5 + 0 0 29 -3,-1.4 17,-2.6 -4,-0.4 2,-0.4 0.882 58.9 129.2 53.7 46.7 42.3 -14.6 -15.0 36 38 A I E < -FG 31 51C 9 -5,-1.1 -5,-1.9 15,-0.2 2,-0.5 -0.997 51.2-151.3-133.6 138.9 39.0 -12.7 -15.0 37 39 A I E -FG 30 50C 1 13,-2.4 13,-2.7 -2,-0.4 2,-0.4 -0.919 30.5-154.3 -99.2 129.0 37.6 -9.8 -13.0 38 40 A C E -FG 29 49C 0 -9,-3.2 -9,-1.8 -2,-0.5 2,-0.5 -0.848 19.8-168.3-114.0 140.9 33.8 -10.2 -12.9 39 41 A R E -FG 28 48C 49 9,-2.9 9,-2.6 -2,-0.4 2,-0.8 -0.940 10.3-164.8-126.4 111.4 31.0 -7.8 -12.5 40 42 A W E -FG 27 47C 11 -13,-3.0 -13,-2.4 -2,-0.5 2,-0.8 -0.845 9.5-151.7 -99.6 106.9 27.6 -9.4 -11.8 41 43 A D E >> -FG 26 46C 52 5,-2.6 4,-1.3 -2,-0.8 5,-0.9 -0.686 6.3-162.8 -73.6 110.7 24.7 -7.0 -12.3 42 44 A T T 45S+ 0 0 41 -17,-1.8 -1,-0.2 -2,-0.8 -16,-0.1 0.580 84.2 54.9 -77.0 -8.5 22.1 -8.4 -9.8 43 45 A V T 45S+ 0 0 95 -18,-0.3 -1,-0.2 -19,-0.3 -18,-0.1 0.941 120.2 25.7 -86.4 -60.8 19.3 -6.5 -11.6 44 46 A S T 45S- 0 0 72 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.611 101.8-133.0 -73.5 -13.6 19.7 -7.7 -15.2 45 47 A N T <5 + 0 0 100 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.831 59.7 138.0 60.7 34.6 21.4 -10.9 -13.8 46 48 A Q E < -G 41 0C 48 -5,-0.9 -5,-2.6 2,-0.0 2,-0.5 -0.903 44.6-147.0-114.6 140.7 24.1 -10.5 -16.3 47 49 A V E -G 40 0C 21 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.903 10.0-167.8-106.9 128.6 27.9 -11.1 -15.7 48 50 A Q E -G 39 0C 99 -9,-2.6 -9,-2.9 -2,-0.5 2,-0.4 -0.894 10.5-159.5-109.4 147.0 30.5 -9.0 -17.5 49 51 A R E -G 38 0C 26 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.2 -0.967 16.3-155.6-128.9 144.0 34.2 -10.1 -17.4 50 52 A V E -G 37 0C 2 -13,-2.7 -13,-2.4 -2,-0.4 2,-0.2 -0.966 22.8-144.3-113.0 113.5 37.5 -8.4 -18.0 51 53 A A E -G 36 0C 18 -2,-0.6 2,-0.3 -15,-0.2 -15,-0.2 -0.520 18.3-168.1 -72.4 141.8 40.1 -10.9 -18.9 52 54 A V - 0 0 6 -17,-2.6 4,-0.1 -2,-0.2 511,-0.1 -0.842 29.3-117.0-129.6 168.2 43.6 -10.2 -17.6 53 55 A D S S+ 0 0 75 -2,-0.3 509,-0.1 2,-0.1 -17,-0.0 0.349 91.3 28.5 -94.9 7.8 47.0 -11.7 -18.4 54 56 A A S S- 0 0 22 -19,-0.1 -2,-0.1 510,-0.0 -20,-0.0 -0.955 104.8 -63.1-152.3 164.8 47.9 -13.2 -15.0 55 57 A P - 0 0 35 0, 0.0 17,-2.8 0, 0.0 2,-0.5 -0.318 50.2-150.0 -53.9 131.6 46.0 -14.6 -12.0 56 58 A V E +H 71 0D 0 -24,-1.0 15,-0.2 -25,-0.3 -20,-0.2 -0.938 17.9 179.2-112.2 124.0 44.0 -11.8 -10.5 57 59 A S E + 0 0 1 13,-2.5 2,-0.3 -2,-0.5 46,-0.2 0.667 58.7 10.4-105.9 -21.0 43.4 -12.2 -6.8 58 60 A S E -H 70 0D 0 12,-0.7 12,-2.1 44,-0.1 2,-0.3 -0.993 51.3-161.5-156.4 159.3 41.4 -9.1 -5.7 59 61 A V E -H 69 0D 2 -2,-0.3 2,-0.3 -42,-0.3 10,-0.2 -0.975 11.9-178.9-140.0 148.2 39.4 -6.2 -7.0 60 62 A A E -H 68 0D 5 8,-2.5 8,-2.4 -2,-0.3 2,-0.2 -0.975 33.7 -94.8-145.6 159.5 38.2 -3.0 -5.4 61 63 A L E -H 67 0D 16 232,-0.4 234,-3.2 -2,-0.3 2,-0.6 -0.491 31.1-142.1 -74.0 144.5 36.2 0.1 -6.3 62 64 A R B > -k 295 0E 48 4,-2.4 3,-1.5 232,-0.2 234,-0.1 -0.951 5.8-147.4-110.2 120.3 38.2 3.2 -7.5 63 65 A Q T 3 S+ 0 0 136 232,-2.3 -1,-0.1 -2,-0.6 3,-0.1 0.868 96.2 50.9 -55.6 -44.3 36.7 6.4 -6.2 64 66 A L T 3 S- 0 0 120 231,-0.5 -1,-0.3 1,-0.3 2,-0.1 0.641 132.3 -60.2 -73.3 -12.2 37.6 8.6 -9.2 65 67 A G S < S+ 0 0 36 -3,-1.5 -1,-0.3 1,-0.2 13,-0.1 -0.401 97.0 15.7 140.4 142.2 35.9 6.0 -11.4 66 68 A G S S- 0 0 25 -3,-0.1 -4,-2.4 -2,-0.1 2,-0.3 -0.411 84.1 -64.3 73.8-146.4 36.2 2.4 -12.4 67 69 A Y E -HI 61 78D 8 11,-2.1 11,-3.3 -6,-0.2 2,-0.3 -0.865 24.0-141.7-142.1 165.4 38.3 -0.2 -10.4 68 70 A V E +HI 60 77D 0 -8,-2.4 -8,-2.5 -2,-0.3 2,-0.3 -0.909 24.8 177.2-127.0 161.0 41.6 -1.3 -9.2 69 71 A A E -HI 59 76D 2 7,-2.1 7,-3.0 -2,-0.3 2,-0.7 -0.988 33.3-115.5-156.5 160.8 42.9 -4.9 -8.9 70 72 A T E +HI 58 75D 0 -12,-2.1 -13,-2.5 -2,-0.3 -12,-0.7 -0.912 34.9 175.5-106.5 110.2 45.8 -7.1 -8.0 71 73 A I E > -HI 56 74D 9 3,-2.4 3,-2.0 -2,-0.7 -15,-0.2 -0.960 64.2 -39.6-118.3 119.8 47.1 -9.0 -11.0 72 74 A G T 3 S- 0 0 16 -17,-2.8 28,-2.8 -2,-0.5 -15,-0.1 -0.480 124.8 -30.3 60.6-128.8 50.2 -11.1 -10.5 73 75 A T T 3 S+ 0 0 30 26,-0.2 18,-2.5 -2,-0.2 2,-0.4 -0.059 119.9 102.7-104.7 32.3 52.4 -8.9 -8.3 74 76 A K E < -IJ 71 90D 80 -3,-2.0 -3,-2.4 16,-0.2 2,-0.5 -0.950 65.6-140.2-122.5 133.6 51.0 -5.7 -9.7 75 77 A F E -IJ 70 89D 0 14,-2.5 13,-3.4 -2,-0.4 14,-1.5 -0.790 39.2-172.3 -78.1 126.5 48.5 -3.1 -8.4 76 78 A C E -IJ 69 87D 8 -7,-3.0 -7,-2.1 -2,-0.5 2,-0.4 -0.910 22.9-135.8-128.4 152.7 46.5 -2.2 -11.6 77 79 A A E -IJ 68 86D 13 9,-3.2 9,-2.1 -2,-0.3 2,-0.5 -0.885 18.9-157.1-105.4 138.5 43.9 0.3 -12.6 78 80 A L E -IJ 67 85D 5 -11,-3.3 -11,-2.1 -2,-0.4 2,-0.6 -0.958 11.8-165.1-118.4 126.9 40.9 -0.7 -14.7 79 81 A N E >> - J 0 84D 72 5,-2.6 5,-1.7 -2,-0.5 4,-0.7 -0.953 10.9-162.9-101.8 115.3 38.8 1.5 -16.9 80 82 A W T 45S+ 0 0 29 -2,-0.6 3,-0.4 3,-0.2 -1,-0.1 0.878 81.0 62.8 -69.5 -40.1 35.7 -0.5 -17.6 81 83 A E T 45S+ 0 0 170 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.908 122.7 20.9 -49.1 -49.5 34.4 1.5 -20.6 82 84 A N T 45S- 0 0 105 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.376 101.3-125.2-100.8 0.7 37.5 0.6 -22.6 83 85 A Q T <5 + 0 0 69 -4,-0.7 2,-0.4 -3,-0.4 -3,-0.2 0.863 53.2 165.3 52.2 37.3 38.5 -2.5 -20.7 84 86 A S E < -J 79 0D 31 -5,-1.7 -5,-2.6 485,-0.0 2,-0.4 -0.718 16.7-174.3 -85.5 127.7 41.8 -0.7 -20.3 85 87 A V E +J 78 0D 25 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.981 7.9 169.2-129.7 124.1 44.1 -2.2 -17.6 86 88 A F E -J 77 0D 132 -9,-2.1 -9,-3.2 -2,-0.4 2,-0.2 -0.967 35.7-101.8-136.7 148.7 47.4 -0.6 -16.6 87 89 A V E +J 76 0D 70 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.457 26.9 176.5 -73.0 131.5 50.0 -1.0 -13.8 88 90 A L E S- 0 0 38 -13,-3.4 2,-0.3 1,-0.4 -12,-0.2 0.747 72.5 -18.3 -96.2 -36.9 50.0 1.5 -10.9 89 91 A A E -J 75 0D 17 -14,-1.5 -14,-2.5 51,-0.0 -1,-0.4 -0.970 57.6-139.7-166.3 157.7 52.8 -0.2 -9.0 90 92 A M E -J 74 0D 80 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.947 16.7-171.4-127.2 145.6 54.6 -3.5 -8.7 91 93 A V + 0 0 7 -18,-2.5 4,-0.1 -2,-0.3 -18,-0.1 -0.805 61.1 31.7-129.4 171.3 55.9 -5.4 -5.6 92 94 A D > + 0 0 8 -2,-0.3 3,-2.0 1,-0.1 6,-0.2 0.842 61.2 160.1 52.4 39.5 58.0 -8.5 -4.8 93 95 A E T 3 S+ 0 0 147 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.0 0.767 71.8 55.6 -66.2 -22.0 60.2 -7.9 -7.9 94 96 A D T 3 S+ 0 0 131 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.288 89.2 93.7 -91.0 8.0 62.9 -10.0 -6.3 95 97 A K < - 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