==== 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 4GN8 . 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) . 22656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 68.9 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 . 270 45.5 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 . 51 8.6 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 . 20 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 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 13 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 0 157 0, 0.0 2,-0.4 0, 0.0 284,-0.1 0.000 360.0 360.0 360.0 -51.0 -22.4 -4.6 33.7 2 4 A I - 0 0 78 282,-0.1 2,-0.4 283,-0.1 282,-0.2 -0.569 360.0-173.8 -68.8 125.2 -24.7 -7.4 32.5 3 5 A K E -A 283 0A 44 280,-2.5 280,-2.4 -2,-0.4 2,-0.5 -0.986 15.6-160.3-125.7 133.7 -25.7 -6.8 28.9 4 6 A V E +A 282 0A 53 -2,-0.4 2,-0.4 278,-0.2 278,-0.2 -0.959 20.0 175.6-111.6 123.0 -28.1 -8.8 26.8 5 7 A E E -A 281 0A 122 276,-2.5 276,-3.0 -2,-0.5 2,-0.8 -0.986 34.1-131.1-132.4 137.3 -27.7 -8.4 23.1 6 8 A C E +A 280 0A 12 -2,-0.4 274,-0.3 274,-0.2 3,-0.1 -0.775 34.8 170.0 -83.8 112.7 -29.4 -10.0 20.1 7 9 A V E + 0 0 33 272,-1.9 2,-0.4 -2,-0.8 273,-0.2 0.620 59.4 39.8-107.4 -15.4 -26.4 -11.1 18.0 8 10 A L E -A 279 0A 9 271,-1.6 271,-2.1 32,-0.0 2,-1.1 -0.911 62.2-167.8-138.4 110.0 -27.7 -13.3 15.1 9 11 A R + 0 0 139 -2,-0.4 269,-0.1 269,-0.2 268,-0.0 -0.633 43.9 121.0-103.8 78.7 -31.0 -12.2 13.5 10 12 A E - 0 0 42 -2,-1.1 -1,-0.2 267,-0.2 268,-0.1 0.385 67.5-128.6-119.4 -0.6 -32.1 -15.2 11.4 11 13 A N - 0 0 25 -3,-0.3 267,-0.2 1,-0.1 266,-0.2 0.921 29.7-164.3 54.0 57.1 -35.5 -16.0 13.0 12 14 A Y - 0 0 8 265,-1.7 250,-0.4 1,-0.1 3,-0.3 -0.368 21.3-134.0 -68.9 150.7 -35.1 -19.7 13.7 13 15 A R S S- 0 0 35 1,-0.2 250,-2.5 248,-0.2 249,-1.8 0.937 94.5 -4.6 -73.3 -45.8 -38.3 -21.6 14.4 14 16 A C B S-D 261 0B 24 247,-0.2 18,-1.9 248,-0.2 247,-0.2 -0.607 75.1-163.8-147.5 85.8 -36.8 -23.5 17.4 15 17 A G E +E 31 0C 0 245,-2.0 2,-0.3 -3,-0.3 16,-0.2 -0.458 26.0 155.9 -67.3 138.0 -33.1 -22.8 17.9 16 18 A E E +E 30 0C 5 14,-2.1 14,-2.3 -2,-0.1 229,-0.1 -0.944 34.5 39.0-154.1 171.1 -31.5 -25.3 20.2 17 19 A S E - 0 0 5 -2,-0.3 42,-0.2 12,-0.2 2,-0.2 0.849 61.3-167.5 51.3 51.5 -28.3 -27.1 21.3 18 20 A P E + 0 0 9 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.506 10.3 175.1 -68.5 131.4 -25.8 -24.2 21.2 19 21 A V E -E 28 0C 19 9,-2.6 9,-3.1 -2,-0.2 2,-0.5 -0.991 25.6-131.4-139.5 135.2 -22.2 -25.3 21.4 20 22 A W E -E 27 0C 6 228,-0.4 2,-0.7 -2,-0.4 7,-0.2 -0.712 11.9-163.7 -85.9 126.4 -19.0 -23.2 21.1 21 23 A E E >>> -E 26 0C 31 5,-3.1 5,-2.0 -2,-0.5 3,-0.9 -0.887 5.3-175.2-107.5 100.4 -16.3 -24.4 18.8 22 24 A E T 345S+ 0 0 73 -2,-0.7 3,-0.3 1,-0.2 -1,-0.2 0.822 76.9 67.5 -67.5 -29.2 -13.2 -22.4 19.8 23 25 A A T 345S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.818 119.0 22.0 -60.2 -31.9 -11.1 -23.8 17.0 24 26 A S T <45S- 0 0 38 -3,-0.9 19,-0.3 2,-0.2 -1,-0.2 0.366 102.4-123.6-114.1 0.7 -13.2 -22.0 14.5 25 27 A Q T <5 + 0 0 100 -4,-0.8 17,-1.9 -3,-0.3 18,-0.3 0.902 69.1 135.8 50.5 45.6 -14.6 -19.3 16.7 26 28 A S E < -EF 21 41C 3 -5,-2.0 -5,-3.1 15,-0.2 2,-0.6 -0.890 55.8-134.5-124.0 151.0 -18.0 -20.5 15.7 27 29 A L E -EF 20 40C 0 13,-2.2 13,-2.8 -2,-0.3 2,-0.3 -0.918 20.8-159.5-100.7 123.4 -21.3 -21.3 17.4 28 30 A L E +EF 19 39C 1 -9,-3.1 -9,-2.6 -2,-0.6 2,-0.3 -0.783 26.8 140.3 -96.2 148.1 -22.9 -24.5 16.3 29 31 A F E - F 0 38C 0 9,-2.0 9,-3.2 -2,-0.3 2,-0.3 -0.954 36.9-120.0-166.4 179.3 -26.7 -25.1 16.9 30 32 A V E -EF 16 37C 0 -14,-2.3 -14,-2.1 -2,-0.3 2,-0.5 -0.903 5.7-145.6-128.4 159.9 -29.8 -26.6 15.3 31 33 A D E >>> -EF 15 36C 4 5,-1.9 5,-1.2 -2,-0.3 4,-0.6 -0.916 27.7-154.9-120.2 101.4 -33.2 -25.3 14.2 32 34 A I G >45S+ 0 0 7 -18,-1.9 3,-1.4 -2,-0.5 24,-1.0 0.874 83.2 31.5 -52.9 -60.0 -35.2 -28.4 15.1 33 35 A P G 345S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 24,-0.1 0.718 113.0 64.5 -75.3 -14.7 -38.3 -28.3 12.8 34 36 A S G <45S- 0 0 6 -3,-0.6 -2,-0.2 2,-0.1 18,-0.1 0.525 101.8-134.4 -82.8 -4.9 -36.3 -26.6 10.0 35 37 A K T <<5 + 0 0 33 -3,-1.4 17,-2.6 -4,-0.6 2,-0.4 0.877 58.7 129.0 56.8 44.0 -34.1 -29.7 9.8 36 38 A I E < -FG 31 51C 9 -5,-1.2 -5,-1.9 15,-0.2 2,-0.5 -0.994 51.7-150.8-132.5 138.7 -30.8 -27.8 9.7 37 39 A I E -FG 30 50C 2 13,-2.3 13,-2.8 -2,-0.4 2,-0.4 -0.912 30.3-155.2 -96.5 128.7 -27.5 -28.0 11.6 38 40 A C E -FG 29 49C 0 -9,-3.2 -9,-2.0 -2,-0.5 2,-0.4 -0.863 19.5-169.5-114.2 142.6 -26.1 -24.4 11.7 39 41 A R E -FG 28 48C 46 9,-2.8 9,-2.5 -2,-0.4 2,-0.7 -0.949 10.2-165.0-128.4 110.8 -22.5 -23.2 12.1 40 42 A W E -FG 27 47C 12 -13,-2.8 -13,-2.2 -2,-0.4 2,-0.8 -0.858 10.7-149.6-100.7 110.2 -22.2 -19.4 12.7 41 43 A D E >> -FG 26 46C 46 5,-2.8 4,-1.3 -2,-0.7 5,-0.9 -0.701 8.2-163.2 -75.7 111.1 -18.6 -18.0 12.1 42 44 A T T 45S+ 0 0 38 -17,-1.9 -1,-0.2 -2,-0.8 -16,-0.1 0.657 83.7 53.0 -76.8 -14.1 -18.6 -15.1 14.6 43 45 A V T 45S+ 0 0 99 -18,-0.3 -1,-0.2 -19,-0.3 -18,-0.1 0.949 121.8 26.1 -81.9 -56.2 -15.6 -13.5 13.0 44 46 A S T 45S- 0 0 75 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.602 101.6-132.9 -79.6 -12.4 -16.8 -13.3 9.4 45 47 A N T <5 + 0 0 102 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.890 57.9 139.0 56.6 43.6 -20.4 -13.3 10.6 46 48 A Q E < -G 41 0C 46 -5,-0.9 -5,-2.8 2,-0.0 2,-0.5 -0.938 42.8-147.3-118.0 142.2 -21.4 -15.9 8.1 47 49 A V E -G 40 0C 23 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.917 10.0-169.1-110.1 130.1 -23.8 -18.9 8.7 48 50 A Q E -G 39 0C 94 -9,-2.5 -9,-2.8 -2,-0.5 2,-0.4 -0.929 10.0-160.2-113.2 144.5 -23.4 -22.2 7.0 49 51 A R E -G 38 0C 22 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.2 -0.967 15.5-154.3-128.5 141.1 -26.1 -24.9 7.2 50 52 A V E -G 37 0C 3 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.2 -0.954 21.9-144.4-108.9 113.8 -26.3 -28.6 6.7 51 53 A A E -G 36 0C 20 -2,-0.6 2,-0.3 -15,-0.2 -15,-0.2 -0.557 19.1-169.9 -74.9 140.8 -29.8 -29.7 5.7 52 54 A V - 0 0 7 -17,-2.6 4,-0.1 -2,-0.2 511,-0.1 -0.821 29.4-117.1-129.7 168.3 -30.9 -33.1 7.1 53 55 A D S S+ 0 0 77 -2,-0.3 509,-0.1 2,-0.1 -17,-0.1 0.379 91.1 28.9 -97.6 7.9 -33.9 -35.3 6.3 54 56 A A S S- 0 0 24 -19,-0.1 -2,-0.1 510,-0.0 -20,-0.0 -0.953 105.1 -64.3-152.7 163.0 -35.7 -35.3 9.7 55 57 A P - 0 0 37 0, 0.0 17,-2.7 0, 0.0 2,-0.5 -0.271 50.3-149.5 -53.2 137.9 -35.9 -32.9 12.7 56 58 A V E +H 71 0D 0 -24,-1.0 15,-0.2 -25,-0.3 -20,-0.2 -0.966 18.6 178.3-118.7 125.0 -32.5 -32.5 14.3 57 59 A S E + 0 0 2 13,-2.3 2,-0.3 -2,-0.5 46,-0.2 0.616 58.9 12.1-108.8 -17.3 -32.4 -31.8 18.0 58 60 A S E -H 70 0D 0 12,-0.7 12,-1.9 44,-0.2 2,-0.3 -0.988 51.2-163.9-156.7 160.3 -28.7 -31.6 19.0 59 61 A V E -H 69 0D 3 -2,-0.3 2,-0.3 -42,-0.2 10,-0.2 -0.978 11.0-179.6-142.9 147.4 -25.2 -31.3 17.6 60 62 A A E -H 68 0D 6 8,-2.9 8,-2.3 -2,-0.3 2,-0.2 -0.972 34.2 -94.3-144.1 162.3 -21.8 -31.9 19.2 61 63 A L E -H 67 0D 18 232,-0.4 234,-3.0 -2,-0.3 2,-0.5 -0.518 31.5-141.9 -72.7 144.1 -18.1 -31.7 18.2 62 64 A R B > -k 295 0E 36 4,-2.2 3,-1.6 232,-0.2 234,-0.2 -0.957 7.1-145.1-110.1 121.1 -16.5 -35.0 17.1 63 65 A Q T 3 S+ 0 0 135 232,-2.6 -1,-0.1 -2,-0.5 3,-0.1 0.867 96.7 50.4 -55.1 -44.8 -12.9 -35.3 18.3 64 66 A L T 3 S- 0 0 124 231,-0.5 -1,-0.3 1,-0.3 2,-0.1 0.590 131.7 -59.8 -74.1 -9.0 -11.5 -37.1 15.3 65 67 A G S < S+ 0 0 36 -3,-1.6 -1,-0.3 1,-0.2 13,-0.1 -0.381 97.4 18.5 138.4 143.5 -13.0 -34.4 13.0 66 68 A G S S- 0 0 26 -3,-0.1 -4,-2.2 -2,-0.1 2,-0.3 -0.425 83.4 -67.3 75.3-146.2 -16.3 -33.0 12.0 67 69 A Y E -HI 61 78D 7 11,-2.1 11,-2.9 -6,-0.3 2,-0.3 -0.844 25.0-139.5-144.5 178.0 -19.4 -33.3 14.1 68 70 A V E +HI 60 77D 0 -8,-2.3 -8,-2.9 -2,-0.3 2,-0.3 -0.962 23.9 178.9-150.1 146.3 -22.1 -35.6 15.4 69 71 A A E -HI 59 76D 2 7,-2.6 7,-3.3 -2,-0.3 2,-0.7 -0.979 32.9-118.2-152.4 159.7 -25.8 -35.0 15.8 70 72 A T E +HI 58 75D 0 -12,-1.9 -13,-2.3 -2,-0.3 -12,-0.7 -0.917 35.4 175.3-106.7 108.4 -29.2 -36.5 16.8 71 73 A I E > -HI 56 74D 11 3,-2.3 3,-2.2 -2,-0.7 2,-0.3 -0.965 64.0 -39.7-118.5 119.6 -31.5 -36.6 13.8 72 74 A G T 3 S- 0 0 14 -17,-2.7 28,-2.9 -2,-0.5 -15,-0.1 -0.502 124.3 -31.9 60.8-124.9 -34.8 -38.2 14.3 73 75 A T T 3 S+ 0 0 31 -2,-0.3 18,-2.5 26,-0.2 2,-0.4 -0.035 119.1 101.1-110.1 30.5 -34.0 -41.2 16.6 74 76 A K E < -IJ 71 90D 81 -3,-2.2 -3,-2.3 16,-0.2 2,-0.6 -0.938 67.1-136.5-119.2 136.4 -30.5 -41.7 15.1 75 77 A F E -IJ 70 89D 0 14,-2.7 13,-3.2 -2,-0.4 14,-1.6 -0.799 40.0-172.7 -77.5 123.7 -27.1 -40.8 16.4 76 78 A C E -IJ 69 87D 7 -7,-3.3 -7,-2.6 -2,-0.6 2,-0.4 -0.880 22.4-140.4-124.9 155.3 -25.3 -39.5 13.2 77 79 A A E -IJ 68 86D 0 9,-3.0 9,-2.2 -2,-0.3 2,-0.4 -0.891 16.7-157.3-111.8 146.3 -21.9 -38.4 12.1 78 80 A L E -IJ 67 85D 4 -11,-2.9 -11,-2.1 -2,-0.4 2,-0.7 -0.982 12.8-160.9-128.1 124.7 -21.2 -35.4 9.8 79 81 A N E >> - 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