==== 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 4GNA . 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) . 22658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 405 68.2 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 . 268 45.1 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 . 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 . 48 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 7.6 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 16 11 2 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 0 148 0, 0.0 2,-0.3 0, 0.0 284,-0.1 0.000 360.0 360.0 360.0 -18.3 -23.2 -3.3 34.1 2 4 A I - 0 0 75 282,-0.1 2,-0.4 283,-0.1 282,-0.2 -0.541 360.0-170.4 -68.5 129.2 -25.3 -6.2 32.8 3 5 A K E -A 283 0A 105 280,-2.6 280,-2.6 -2,-0.3 2,-0.5 -0.987 13.1-166.3-131.2 126.1 -26.0 -5.6 29.1 4 6 A V E +A 282 0A 46 -2,-0.4 2,-0.4 278,-0.2 278,-0.2 -0.951 19.9 166.2-110.5 120.5 -28.4 -7.6 26.9 5 7 A E E -A 281 0A 71 276,-2.4 276,-2.8 -2,-0.5 2,-0.7 -0.988 40.2-119.4-138.2 149.4 -28.2 -7.1 23.1 6 8 A C E +A 280 0A 16 -2,-0.4 274,-0.3 274,-0.2 3,-0.1 -0.747 34.9 172.2 -83.2 116.7 -29.4 -8.8 20.0 7 9 A V E + 0 0 33 272,-2.2 2,-0.4 -2,-0.7 273,-0.2 0.621 62.6 37.8-107.4 -17.7 -26.3 -9.8 18.1 8 10 A L E -A 279 0A 9 271,-1.6 271,-2.2 32,-0.0 2,-1.1 -0.892 60.7-167.6-139.5 111.4 -27.5 -11.9 15.2 9 11 A R + 0 0 141 -2,-0.4 269,-0.1 269,-0.2 -3,-0.0 -0.592 43.4 124.3-100.7 74.2 -30.7 -11.0 13.4 10 12 A E - 0 0 45 -2,-1.1 -1,-0.2 267,-0.2 268,-0.1 0.428 66.1-129.7-113.4 -2.4 -31.5 -14.0 11.3 11 13 A N - 0 0 24 -3,-0.3 267,-0.2 1,-0.1 266,-0.1 0.894 30.7-168.3 56.7 50.6 -35.0 -14.8 12.5 12 14 A Y - 0 0 8 265,-1.6 250,-0.3 1,-0.1 3,-0.3 -0.321 23.4-134.2 -64.6 151.1 -34.7 -18.5 13.3 13 15 A R S S- 0 0 34 1,-0.2 250,-2.2 248,-0.2 249,-2.1 0.930 94.2 -3.3 -72.4 -45.4 -37.9 -20.4 14.0 14 16 A C B S-D 261 0B 23 247,-0.2 18,-1.8 248,-0.2 247,-0.2 -0.625 75.4-162.4-149.1 83.9 -36.5 -22.2 17.0 15 17 A G E +E 31 0C 0 245,-2.0 2,-0.3 -3,-0.3 16,-0.2 -0.440 26.9 157.1 -65.2 139.2 -32.8 -21.4 17.7 16 18 A E E +E 30 0C 6 14,-2.2 14,-2.5 1,-0.1 229,-0.1 -0.958 33.4 36.7-156.3 168.6 -31.3 -24.0 20.0 17 19 A S E - 0 0 5 -2,-0.3 42,-0.3 12,-0.2 2,-0.2 0.856 61.7-164.0 52.7 52.9 -28.1 -25.8 21.3 18 20 A P E - 0 0 9 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.485 10.2-179.6 -69.6 134.7 -25.7 -22.9 21.2 19 21 A V E -E 28 0C 21 9,-2.9 9,-3.3 -2,-0.2 2,-0.5 -0.995 22.2-134.2-136.2 129.3 -22.0 -24.1 21.5 20 22 A W E -E 27 0C 4 -2,-0.4 2,-0.8 228,-0.4 7,-0.2 -0.714 11.3-162.9 -87.2 126.5 -19.0 -21.9 21.5 21 23 A E E >>> -E 26 0C 25 5,-3.1 5,-1.8 -2,-0.5 3,-1.3 -0.840 6.4-176.0-107.2 94.4 -16.1 -22.9 19.3 22 24 A E T 345S+ 0 0 111 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.809 74.7 70.8 -64.6 -27.8 -13.1 -21.0 20.6 23 25 A A T 345S+ 0 0 102 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.811 120.3 16.6 -59.1 -29.1 -10.8 -22.3 17.8 24 26 A S T <45S- 0 0 42 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.375 102.2-118.5-121.9 -0.0 -12.6 -20.1 15.3 25 27 A Q T <5 + 0 0 68 -4,-1.1 17,-1.8 1,-0.2 2,-0.3 0.912 69.5 140.7 53.9 44.9 -14.5 -17.7 17.7 26 28 A S E < -EF 21 41C 2 -5,-1.8 -5,-3.1 15,-0.2 2,-0.5 -0.840 51.4-135.8-113.7 153.2 -17.7 -19.1 16.2 27 29 A L E -EF 20 40C 0 13,-2.5 13,-3.0 -2,-0.3 2,-0.4 -0.939 18.8-160.2-104.0 125.5 -21.1 -19.9 17.7 28 30 A L E +EF 19 39C 1 -9,-3.3 -9,-2.9 -2,-0.5 2,-0.3 -0.830 26.9 140.0 -99.0 147.0 -22.6 -23.2 16.6 29 31 A F E - F 0 38C 0 9,-1.8 9,-3.1 -2,-0.4 2,-0.3 -0.944 37.0-120.4-165.6 179.5 -26.3 -23.8 17.0 30 32 A V E -EF 16 37C 0 -14,-2.5 -14,-2.2 -2,-0.3 2,-0.5 -0.886 5.8-145.3-128.7 163.1 -29.4 -25.2 15.3 31 33 A D E >>> -EF 15 36C 4 5,-1.9 5,-1.2 -2,-0.3 4,-0.6 -0.912 28.3-155.2-123.9 102.0 -32.7 -24.1 14.0 32 34 A I G >45S+ 0 0 6 -18,-1.8 3,-1.4 -2,-0.5 24,-1.0 0.873 82.2 31.8 -55.5 -60.6 -34.7 -27.2 14.7 33 35 A P G 345S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 24,-0.1 0.690 113.2 63.6 -75.5 -13.9 -37.7 -27.1 12.3 34 36 A S G <45S- 0 0 6 -3,-0.5 -2,-0.2 2,-0.1 18,-0.1 0.504 102.8-133.9 -83.0 -4.7 -35.7 -25.3 9.7 35 37 A K T <<5 + 0 0 31 -3,-1.4 17,-2.5 -4,-0.6 2,-0.4 0.890 58.5 128.6 58.5 44.7 -33.4 -28.4 9.5 36 38 A I E < -FG 31 51C 9 -5,-1.2 -5,-1.9 15,-0.2 2,-0.5 -0.995 50.8-151.4-133.4 139.7 -30.2 -26.4 9.6 37 39 A I E -FG 30 50C 1 13,-2.2 13,-2.6 -2,-0.4 2,-0.4 -0.911 30.4-157.2 -97.8 132.3 -27.0 -26.6 11.6 38 40 A C E -FG 29 49C 0 -9,-3.1 -9,-1.8 -2,-0.5 2,-0.4 -0.875 19.8-167.5-118.8 146.8 -25.5 -23.1 11.7 39 41 A R E -FG 28 48C 48 9,-2.7 9,-2.6 -2,-0.4 2,-0.7 -0.950 10.1-165.1-132.1 114.8 -22.0 -21.8 12.3 40 42 A W E -FG 27 47C 10 -13,-3.0 -13,-2.5 -2,-0.4 2,-0.7 -0.879 11.4-149.0-104.5 112.5 -21.7 -18.0 13.0 41 43 A D E > -F 26 0C 49 5,-2.4 4,-1.8 -2,-0.7 5,-0.4 -0.711 10.2-158.6 -77.9 111.5 -18.2 -16.5 12.7 42 44 A T T 4 S+ 0 0 36 -17,-1.8 -1,-0.2 -2,-0.7 -16,-0.1 0.633 84.7 45.3 -74.0 -14.3 -18.4 -13.7 15.3 43 45 A V T 4 S+ 0 0 115 -18,-0.3 -1,-0.2 3,-0.1 -18,-0.1 0.873 122.9 31.4 -95.3 -44.8 -15.6 -11.7 13.8 44 46 A S T 4 S- 0 0 75 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.703 99.7-139.5 -80.3 -21.2 -16.4 -11.8 10.0 45 47 A N < + 0 0 96 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.666 52.7 139.1 69.9 20.5 -20.1 -11.9 11.0 46 48 A Q - 0 0 52 -5,-0.4 -5,-2.4 2,-0.0 2,-0.5 -0.739 42.1-147.4 -95.0 143.7 -20.9 -14.5 8.3 47 49 A V E -G 40 0C 24 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.938 9.0-165.6-109.8 130.6 -23.2 -17.4 8.9 48 50 A Q E -G 39 0C 95 -9,-2.6 -9,-2.7 -2,-0.5 2,-0.4 -0.918 9.1-161.5-110.1 142.2 -22.7 -20.8 7.2 49 51 A R E -G 38 0C 22 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.941 14.4-158.5-123.7 143.8 -25.5 -23.4 7.2 50 52 A V E -G 37 0C 1 -13,-2.6 -13,-2.2 -2,-0.4 2,-0.2 -0.968 21.0-144.2-117.0 114.9 -25.6 -27.1 6.6 51 53 A A E -G 36 0C 17 -2,-0.5 2,-0.3 -15,-0.2 -15,-0.2 -0.547 18.7-170.6 -75.1 139.9 -29.1 -28.3 5.6 52 54 A V - 0 0 6 -17,-2.5 4,-0.1 -2,-0.2 511,-0.1 -0.805 30.3-114.1-128.1 170.7 -30.1 -31.8 6.9 53 55 A D S S+ 0 0 74 -2,-0.3 509,-0.1 2,-0.1 -17,-0.0 0.351 91.3 26.6 -96.9 6.9 -33.1 -34.0 6.1 54 56 A A S S- 0 0 24 -19,-0.1 -2,-0.1 -22,-0.0 -20,-0.0 -0.950 104.9 -62.3-152.9 166.5 -35.0 -34.0 9.4 55 57 A P - 0 0 34 0, 0.0 17,-2.9 0, 0.0 2,-0.5 -0.302 50.0-149.3 -56.1 137.3 -35.3 -31.7 12.4 56 58 A V E +H 71 0D 0 -24,-1.0 15,-0.2 -25,-0.3 -20,-0.2 -0.954 17.4 180.0-117.6 122.4 -31.9 -31.2 14.0 57 59 A S E + 0 0 2 13,-2.4 2,-0.3 -2,-0.5 46,-0.2 0.668 59.0 8.4-104.7 -20.5 -32.0 -30.6 17.8 58 60 A S E -H 70 0D 0 12,-0.7 12,-1.8 44,-0.1 2,-0.3 -0.990 51.3-160.3-156.0 162.9 -28.4 -30.3 18.9 59 61 A V E -H 69 0D 3 -2,-0.3 2,-0.3 -42,-0.3 10,-0.2 -0.976 11.6-178.3-143.2 149.2 -24.8 -30.0 17.7 60 62 A A E -H 68 0D 7 8,-2.6 8,-2.4 -2,-0.3 2,-0.1 -0.980 34.0 -94.9-145.7 156.6 -21.5 -30.6 19.4 61 63 A L E -H 67 0D 23 232,-0.4 234,-3.1 -2,-0.3 2,-0.6 -0.459 31.2-142.6 -68.8 144.3 -17.8 -30.4 18.6 62 64 A R B > -k 295 0E 37 4,-2.4 3,-1.7 232,-0.2 234,-0.1 -0.956 5.7-147.2-110.5 119.3 -16.1 -33.6 17.4 63 65 A Q T 3 S+ 0 0 139 232,-2.5 -1,-0.2 -2,-0.6 3,-0.1 0.887 96.1 51.3 -54.0 -46.3 -12.6 -33.9 18.7 64 66 A L T 3 S- 0 0 124 231,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.634 132.1 -59.7 -71.0 -10.3 -11.1 -35.7 15.7 65 67 A G S < S+ 0 0 38 -3,-1.7 -1,-0.2 1,-0.3 13,-0.1 -0.383 97.6 15.9 139.6 143.7 -12.5 -33.0 13.4 66 68 A G S S- 0 0 25 -3,-0.1 -4,-2.4 -2,-0.1 2,-0.3 -0.382 84.1 -66.0 71.8-147.3 -15.8 -31.5 12.4 67 69 A Y E -HI 61 78D 7 11,-2.1 11,-3.2 -6,-0.2 2,-0.3 -0.840 24.0-139.7-141.5 164.0 -19.1 -32.0 14.4 68 70 A V E +HI 60 77D 0 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.3 -0.907 25.6 177.3-123.9 159.6 -21.7 -34.4 15.6 69 71 A A E -HI 59 76D 2 7,-2.1 7,-2.8 -2,-0.3 2,-0.7 -0.980 33.2-116.8-155.2 162.6 -25.4 -33.6 15.8 70 72 A T E +HI 58 75D 0 -12,-1.8 -13,-2.4 -2,-0.3 -12,-0.7 -0.929 34.5 178.1-110.0 110.7 -28.8 -35.2 16.6 71 73 A I E > -HI 56 74D 8 3,-2.4 3,-2.1 -2,-0.7 -15,-0.2 -0.955 63.1 -40.0-118.1 118.7 -30.9 -35.4 13.5 72 74 A G T 3 S- 0 0 15 -17,-2.9 28,-2.9 -2,-0.5 -15,-0.2 -0.479 124.5 -30.2 61.7-129.2 -34.3 -37.0 14.0 73 75 A T T 3 S+ 0 0 32 26,-0.2 18,-2.5 -2,-0.2 2,-0.4 -0.045 120.0 101.5-104.7 32.3 -33.6 -39.9 16.2 74 76 A K E < -IJ 71 90D 90 -3,-2.1 -3,-2.4 16,-0.2 2,-0.5 -0.943 66.4-138.8-122.9 134.5 -30.1 -40.4 14.9 75 77 A F E -IJ 70 89D 0 14,-2.8 13,-3.2 -2,-0.4 14,-1.6 -0.806 39.6-175.6 -79.5 128.4 -26.7 -39.5 16.3 76 78 A C E -IJ 69 87D 6 -7,-2.8 -7,-2.1 -2,-0.5 2,-0.4 -0.886 24.8-136.9-131.3 155.9 -24.8 -38.2 13.2 77 79 A A E -IJ 68 86D 1 9,-2.6 9,-1.8 -2,-0.3 2,-0.4 -0.900 20.4-157.3-112.2 143.8 -21.3 -37.1 12.2 78 80 A L E -IJ 67 85D 7 -11,-3.2 -11,-2.1 -2,-0.4 2,-0.6 -0.978 14.0-157.7-126.8 129.9 -20.7 -34.0 10.0 79 81 A N E >> - 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