==== 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 4GNC . COMPND 2 MOLECULE: REGUCALCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.AIZAWA,M.SENDA,A.HARADA,N.MARUYAMA,T.ISHIDA,T.AIGAKI,A.ISH . 595 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 69.4 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 45.2 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 . 56 9.4 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 . 19 3.2 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 . 9 0 2 4 14 15 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 2 A S 0 0 166 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 162.7 -35.5 9.8 29.3 2 3 A S - 0 0 91 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.373 360.0-126.6 -91.3 160.2 -34.3 6.4 28.0 3 4 A I - 0 0 54 -2,-0.1 2,-0.4 283,-0.1 282,-0.2 -0.555 15.1-140.9 -96.8 166.9 -33.5 5.1 24.5 4 5 A K E -A 284 0A 139 280,-2.2 280,-2.6 -2,-0.2 2,-0.4 -0.989 9.8-155.3-130.0 139.1 -34.9 2.1 22.8 5 6 A I E +A 283 0A 58 -2,-0.4 2,-0.4 278,-0.2 278,-0.2 -0.959 14.2 176.4-118.4 130.3 -32.9 -0.3 20.6 6 7 A E E -A 282 0A 104 276,-2.5 276,-3.2 -2,-0.4 2,-1.1 -0.994 31.6-137.4-136.0 133.0 -34.3 -2.5 17.8 7 8 A C E +A 281 0A 25 -2,-0.4 274,-0.2 274,-0.2 -2,-0.0 -0.769 28.0 178.2 -81.1 103.4 -32.9 -4.8 15.3 8 9 A V E S+ 0 0 25 272,-1.5 -1,-0.2 -2,-1.1 273,-0.2 0.720 71.6 21.7 -84.6 -20.7 -34.9 -3.7 12.4 9 10 A L E -A 280 0A 20 271,-1.3 271,-2.5 -3,-0.1 2,-2.4 -0.843 63.6-157.6-148.1 105.2 -33.3 -6.1 9.9 10 11 A P + 0 0 68 0, 0.0 269,-0.2 0, 0.0 267,-0.1 -0.406 34.0 156.6 -83.0 69.4 -31.4 -9.2 11.1 11 12 A E - 0 0 36 -2,-2.4 268,-0.2 267,-0.1 267,-0.1 0.619 42.5-141.5 -73.0 -15.6 -29.4 -9.3 7.9 12 13 A N - 0 0 79 264,-0.2 267,-0.2 -3,-0.2 266,-0.2 0.854 28.8-169.8 55.5 38.1 -26.5 -11.3 9.4 13 14 A C - 0 0 2 265,-2.7 250,-1.3 1,-0.1 3,-0.3 -0.271 28.4-138.2 -59.8 140.8 -24.0 -9.3 7.4 14 15 A R S S- 0 0 119 1,-0.2 250,-2.4 248,-0.2 249,-0.3 0.905 99.3 -8.0 -65.0 -40.2 -20.4 -10.6 7.4 15 16 A C S S- 0 0 31 247,-0.2 18,-1.6 248,-0.2 247,-0.3 -0.515 78.4-161.2-156.4 84.5 -19.4 -6.9 7.9 16 17 A G E +D 32 0B 0 245,-2.2 2,-0.3 -3,-0.3 16,-0.2 -0.405 29.0 154.7 -65.8 139.9 -22.2 -4.4 7.5 17 18 A E E +D 31 0B 7 14,-2.2 14,-2.4 1,-0.1 42,-0.1 -0.930 30.3 42.6-156.6 176.1 -20.9 -1.0 6.8 18 19 A S E - 0 0 10 -2,-0.3 42,-0.2 12,-0.2 2,-0.2 0.814 60.3-163.8 46.4 51.6 -21.4 2.5 5.4 19 20 A P E + 0 0 11 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.456 11.6 178.2 -65.9 131.1 -25.0 3.2 6.5 20 21 A V E -D 29 0B 18 9,-2.6 9,-3.2 -2,-0.2 2,-0.6 -0.992 24.3-134.8-135.5 126.0 -26.5 6.2 4.6 21 22 A W E -D 28 0B 5 -2,-0.4 2,-0.9 228,-0.4 7,-0.2 -0.722 11.7-162.6 -84.5 121.1 -30.0 7.5 5.0 22 23 A E E >>> -D 27 0B 18 5,-3.1 5,-1.9 -2,-0.6 3,-1.4 -0.816 8.4-176.7 -98.0 93.4 -31.8 8.1 1.7 23 24 A E T 345S+ 0 0 104 -2,-0.9 3,-0.4 1,-0.3 -1,-0.2 0.807 73.5 67.8 -67.7 -25.4 -34.6 10.4 2.7 24 25 A V T 345S+ 0 0 134 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.744 120.0 22.3 -68.0 -17.4 -36.3 10.7 -0.7 25 26 A S T <45S- 0 0 28 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.318 103.8-123.5-121.9 2.5 -37.2 7.0 -0.4 26 27 A N T <5 + 0 0 49 -4,-0.7 17,-2.1 -3,-0.4 2,-0.3 0.895 68.1 136.4 46.1 47.7 -37.0 6.6 3.4 27 28 A S E < -DE 22 42B 3 -5,-1.9 -5,-3.1 15,-0.2 2,-0.5 -0.856 54.7-132.6-120.6 153.7 -34.5 3.9 2.9 28 29 A L E -DE 21 41B 0 13,-2.4 13,-2.9 -2,-0.3 2,-0.3 -0.940 19.3-156.8-105.1 126.6 -31.2 3.0 4.5 29 30 A L E +DE 20 40B 0 -9,-3.2 -9,-2.6 -2,-0.5 2,-0.3 -0.789 25.7 150.0 -95.4 144.9 -28.3 2.2 2.2 30 31 A F E - E 0 39B 0 9,-2.1 9,-3.0 -2,-0.3 2,-0.3 -0.955 31.4-128.2-159.3 174.4 -25.5 0.0 3.4 31 32 A V E -DE 17 38B 0 -14,-2.4 -14,-2.2 -2,-0.3 2,-0.5 -0.896 6.5-149.1-125.4 159.6 -22.9 -2.5 2.3 32 33 A D E >> -DE 16 37B 17 5,-2.0 5,-2.0 -2,-0.3 4,-0.5 -0.923 25.5-155.2-122.1 104.0 -21.7 -5.9 3.3 33 34 A I T >45S+ 0 0 5 -18,-1.6 3,-1.2 -2,-0.5 24,-1.0 0.874 82.7 35.9 -53.9 -55.9 -18.1 -5.7 2.3 34 35 A P T 345S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 24,-0.0 0.723 113.1 57.2 -78.5 -18.3 -17.0 -9.3 1.6 35 36 A A T 345S- 0 0 31 -3,-0.4 -2,-0.2 2,-0.1 18,-0.1 0.522 107.1-131.6 -78.4 -5.1 -20.4 -10.4 0.1 36 37 A K T <<5 + 0 0 65 -3,-1.2 17,-3.0 -4,-0.5 2,-0.4 0.848 55.8 149.2 58.1 37.7 -19.7 -7.5 -2.3 37 38 A K E < -EF 32 52B 65 -5,-2.0 -5,-2.0 15,-0.2 2,-0.5 -0.844 43.5-162.1-110.1 139.2 -23.2 -6.3 -1.8 38 39 A V E -EF 31 51B 0 13,-2.3 13,-2.9 -2,-0.4 2,-0.3 -0.981 28.2-169.0-105.1 129.3 -24.8 -2.8 -1.9 39 40 A C E -EF 30 50B 1 -9,-3.0 -9,-2.1 -2,-0.5 2,-0.4 -0.868 18.5-165.0-122.5 152.4 -28.1 -3.0 -0.0 40 41 A R E -EF 29 49B 56 9,-2.4 9,-2.2 -2,-0.3 2,-0.6 -0.960 6.4-162.3-140.9 120.7 -31.1 -0.8 0.4 41 42 A W E -EF 28 48B 5 -13,-2.9 -13,-2.4 -2,-0.4 2,-0.7 -0.903 13.5-142.8-107.7 119.7 -33.8 -1.3 3.0 42 43 A D E > -E 27 0B 46 5,-2.9 4,-2.1 -2,-0.6 5,-0.3 -0.715 8.9-153.3 -80.2 114.3 -37.1 0.4 2.6 43 44 A S T 4 S+ 0 0 15 -17,-2.1 -1,-0.1 -2,-0.7 -16,-0.1 0.664 89.3 43.9 -66.2 -17.2 -38.2 1.5 6.1 44 45 A F T 4 S+ 0 0 139 -18,-0.2 -1,-0.2 3,-0.1 -18,-0.1 0.896 123.2 30.1 -92.0 -50.4 -41.9 1.4 5.3 45 46 A T T 4 S- 0 0 78 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.637 96.4-135.8 -83.1 -15.6 -42.3 -1.8 3.3 46 47 A K < + 0 0 123 -4,-2.1 2,-0.2 1,-0.2 -3,-0.1 0.551 56.9 138.6 70.5 12.5 -39.4 -3.5 5.2 47 48 A Q - 0 0 132 -5,-0.3 -5,-2.9 -6,-0.0 2,-0.4 -0.585 39.6-152.0 -91.4 150.3 -38.1 -4.9 1.9 48 49 A V E -F 41 0B 31 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.970 4.9-161.2-125.9 134.4 -34.4 -5.0 1.0 49 50 A Q E -F 40 0B 101 -9,-2.2 -9,-2.4 -2,-0.4 2,-0.4 -0.921 11.7-168.7-107.3 141.2 -32.8 -4.9 -2.5 50 51 A R E -F 39 0B 113 -2,-0.4 2,-0.4 -11,-0.2 -11,-0.2 -0.997 7.8-162.9-132.8 131.1 -29.2 -6.1 -2.8 51 52 A V E -F 38 0B 10 -13,-2.9 -13,-2.3 -2,-0.4 2,-0.5 -0.954 15.9-141.1-113.9 135.2 -26.9 -5.7 -5.8 52 53 A T E -F 37 0B 79 -2,-0.4 -15,-0.2 -15,-0.2 -16,-0.1 -0.824 17.0-166.3-101.7 129.5 -23.8 -7.9 -6.1 53 54 A M - 0 0 22 -17,-3.0 4,-0.1 -2,-0.5 32,-0.0 -0.236 30.1-112.2 -98.9-169.2 -20.5 -6.4 -7.4 54 55 A D S S+ 0 0 99 -2,-0.1 -18,-0.1 2,-0.1 -2,-0.0 0.400 94.1 26.2-111.6 -0.7 -17.3 -8.1 -8.5 55 56 A A S S- 0 0 29 -19,-0.1 -2,-0.2 -22,-0.0 2,-0.0 -0.924 105.7 -62.1-147.7 167.7 -15.0 -7.0 -5.8 56 57 A P - 0 0 42 0, 0.0 17,-2.6 0, 0.0 2,-0.6 -0.344 47.4-151.2 -51.1 128.9 -15.3 -5.9 -2.1 57 58 A V E +G 72 0C 0 -24,-1.0 15,-0.2 -25,-0.3 -20,-0.2 -0.929 17.7 177.6-109.9 116.5 -17.5 -2.8 -1.8 58 59 A S E + 0 0 1 13,-2.2 2,-0.3 -2,-0.6 46,-0.2 0.674 59.7 6.9 -99.2 -17.8 -16.5 -0.8 1.2 59 60 A S E -G 71 0C 0 12,-0.8 12,-1.8 44,-0.1 2,-0.3 -0.983 53.6-161.1-157.1 162.8 -18.7 2.3 1.0 60 61 A V E +G 70 0C 2 -2,-0.3 2,-0.3 44,-0.2 10,-0.2 -0.979 12.9 179.9-144.2 149.7 -21.7 3.8 -0.9 61 62 A A E -G 69 0C 6 8,-2.7 8,-2.4 -2,-0.3 234,-0.1 -0.983 32.4 -92.1-149.0 163.1 -22.9 7.3 -1.3 62 63 A L E -G 68 0C 32 232,-0.5 234,-2.8 -2,-0.3 2,-0.4 -0.375 30.3-152.3 -70.6 150.9 -25.6 9.4 -2.9 63 64 A R B > -j 296 0D 53 4,-1.3 3,-1.8 232,-0.2 234,-0.2 -0.992 9.0-145.8-129.3 123.1 -24.9 11.0 -6.3 64 65 A Q T 3 S+ 0 0 155 232,-2.1 233,-0.1 -2,-0.4 3,-0.1 0.800 97.9 54.8 -61.7 -30.9 -26.8 14.2 -7.2 65 66 A S T 3 S- 0 0 94 233,-0.4 -1,-0.3 231,-0.4 2,-0.1 0.587 127.2 -73.0 -81.4 -7.6 -27.1 13.4 -10.9 66 67 A G S < S+ 0 0 40 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.1 -0.286 93.3 28.8 127.0 147.2 -28.7 10.1 -10.1 67 68 A G S S- 0 0 36 -2,-0.1 -4,-1.3 -3,-0.1 -1,-0.3 -0.364 85.7 -72.1 71.4-153.9 -27.9 6.6 -8.9 68 69 A Y E -GH 62 79C 9 11,-1.9 11,-3.2 -6,-0.2 2,-0.3 -0.793 25.4-134.7-134.1 165.8 -25.0 6.1 -6.4 69 70 A V E +GH 61 78C 0 -8,-2.4 -8,-2.7 -2,-0.3 2,-0.3 -0.924 28.7 177.9-118.5 158.0 -21.2 6.2 -6.1 70 71 A A E -GH 60 77C 0 7,-2.5 7,-3.1 -2,-0.3 2,-0.6 -0.979 33.1-118.9-152.3 161.0 -19.2 3.5 -4.4 71 72 A T E +GH 59 76C 0 -12,-1.8 -13,-2.2 -2,-0.3 -12,-0.8 -0.947 34.5 175.9-104.5 118.0 -15.8 2.3 -3.5 72 73 A I E > -GH 57 75C 16 3,-2.6 3,-1.9 -2,-0.6 -15,-0.2 -0.984 62.6 -40.2-127.6 117.7 -15.1 -1.1 -5.0 73 74 A G T 3 S- 0 0 16 -17,-2.6 28,-3.2 -2,-0.5 -15,-0.1 -0.494 123.7 -31.2 61.3-128.4 -11.7 -2.6 -4.5 74 75 A T T 3 S+ 0 0 26 26,-0.3 18,-2.4 -2,-0.2 2,-0.4 -0.033 119.7 104.7-103.6 30.1 -9.3 0.4 -5.0 75 76 A K E < -HI 72 91C 77 -3,-1.9 -3,-2.6 16,-0.2 2,-0.5 -0.933 65.5-140.7-120.4 131.7 -11.7 2.0 -7.5 76 77 A F E -HI 71 90C 0 14,-2.4 13,-3.0 -2,-0.4 14,-1.5 -0.780 40.5-174.3 -76.4 124.5 -14.1 5.0 -7.2 77 78 A C E -HI 70 88C 6 -7,-3.1 -7,-2.5 -2,-0.5 2,-0.5 -0.927 31.3-131.7-128.0 151.2 -17.2 3.8 -9.2 78 79 A A E -HI 69 87C 11 9,-2.9 9,-1.9 -2,-0.3 2,-0.6 -0.844 29.3-145.9 -91.3 135.8 -20.5 5.1 -10.4 79 80 A L E -HI 68 86C 6 -11,-3.2 -11,-1.9 -2,-0.5 2,-0.9 -0.905 9.4-159.2-111.7 113.7 -23.3 2.6 -9.5 80 81 A N E >> - 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