==== 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 4GNB . 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 . 594 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23835.0 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 . 266 44.8 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 . 56 9.4 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 . 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 13 0 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 0 145 0, 0.0 2,-0.3 0, 0.0 284,-0.1 0.000 360.0 360.0 360.0-178.5 -3.7 8.4 25.8 2 4 A I + 0 0 71 282,-0.1 2,-0.4 283,-0.1 282,-0.2 -0.486 360.0 172.7 -87.9 132.0 -1.7 5.7 24.1 3 5 A K E -A 283 0A 137 280,-2.1 280,-2.7 -2,-0.3 2,-0.4 -0.998 14.4-156.4-133.1 130.3 -3.2 2.6 22.4 4 6 A I E +A 282 0A 61 -2,-0.4 2,-0.4 278,-0.2 278,-0.2 -0.916 13.8 176.8-112.6 131.7 -1.2 0.1 20.3 5 7 A E E -A 281 0A 106 276,-2.4 276,-3.0 -2,-0.4 2,-1.3 -0.991 32.1-137.2-136.4 129.8 -2.8 -2.1 17.6 6 8 A C E +A 280 0A 21 -2,-0.4 274,-0.3 274,-0.2 -2,-0.0 -0.731 29.2 178.5 -77.3 98.7 -1.3 -4.6 15.3 7 9 A V E S+ 0 0 23 272,-1.3 -1,-0.2 -2,-1.3 273,-0.2 0.713 71.7 21.5 -79.3 -21.5 -3.3 -3.5 12.3 8 10 A L E -A 279 0A 19 271,-1.4 271,-2.6 -3,-0.1 2,-2.3 -0.813 64.6-157.5-149.4 102.3 -1.7 -6.0 9.9 9 11 A P + 0 0 77 0, 0.0 269,-0.2 0, 0.0 267,-0.1 -0.453 34.1 157.6 -79.1 70.5 0.0 -9.1 11.2 10 12 A E - 0 0 32 -2,-2.3 268,-0.2 267,-0.2 267,-0.1 0.612 42.4-140.4 -76.6 -16.2 2.1 -9.3 8.1 11 13 A N - 0 0 80 264,-0.2 266,-0.2 -3,-0.2 267,-0.2 0.859 29.2-168.0 56.5 37.6 4.9 -11.4 9.6 12 14 A C - 0 0 2 265,-2.2 250,-1.7 1,-0.1 3,-0.4 -0.279 27.0-140.1 -56.8 138.0 7.5 -9.4 7.6 13 15 A R S S- 0 0 117 1,-0.3 250,-2.6 249,-0.2 249,-0.5 0.952 98.9 -8.2 -61.0 -47.9 11.0 -10.9 7.5 14 16 A C B S-D 261 0B 26 247,-0.2 18,-2.0 248,-0.2 -1,-0.3 -0.649 78.2-161.2-150.4 90.0 12.1 -7.3 7.9 15 17 A G E +E 31 0C 0 245,-2.2 2,-0.3 -3,-0.4 16,-0.2 -0.528 29.7 151.1 -73.2 138.7 9.4 -4.7 7.6 16 18 A E E +E 30 0C 5 14,-2.2 14,-2.6 -2,-0.2 244,-0.1 -0.916 30.7 43.8-156.2 174.5 10.9 -1.2 6.9 17 19 A S E - 0 0 4 -2,-0.3 2,-0.2 12,-0.2 42,-0.2 0.837 60.6-164.3 48.2 53.7 10.5 2.2 5.3 18 20 A P E + 0 0 10 0, 0.0 2,-0.4 0, 0.0 11,-0.2 -0.497 12.7 174.5 -69.7 133.5 6.9 3.0 6.4 19 21 A V E -E 28 0C 20 9,-2.5 9,-3.6 -2,-0.2 2,-0.5 -0.992 25.5-134.6-140.4 128.2 5.5 5.9 4.3 20 22 A W E -E 27 0C 4 228,-0.4 2,-0.7 -2,-0.4 7,-0.2 -0.733 10.8-161.7 -87.2 129.5 1.9 7.2 4.6 21 23 A E E >>> -E 26 0C 17 5,-3.5 5,-2.0 -2,-0.5 3,-1.4 -0.844 8.5-177.2-108.6 93.5 0.2 7.9 1.3 22 24 A E T 345S+ 0 0 107 -2,-0.7 -1,-0.1 1,-0.3 5,-0.1 0.693 74.3 67.8 -69.9 -19.5 -2.7 10.2 2.2 23 25 A V T 345S+ 0 0 137 1,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.731 119.2 23.9 -74.1 -17.0 -4.2 10.4 -1.3 24 26 A S T <45S- 0 0 31 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.299 105.1-123.3-120.6 1.8 -5.1 6.7 -1.0 25 27 A N T <5 + 0 0 87 -4,-0.6 17,-2.2 1,-0.2 18,-0.3 0.917 69.2 131.6 52.0 47.4 -5.2 6.5 2.8 26 28 A S E < -EF 21 41C 5 -5,-2.0 -5,-3.5 15,-0.2 2,-0.5 -0.903 57.5-129.9-129.2 155.0 -2.6 3.7 2.6 27 29 A L E -EF 20 40C 0 13,-2.4 13,-2.8 -2,-0.3 2,-0.3 -0.935 20.1-156.2-104.1 124.3 0.7 2.8 4.3 28 30 A L E +EF 19 39C 0 -9,-3.6 -9,-2.5 -2,-0.5 2,-0.3 -0.723 26.2 151.4 -90.2 148.4 3.6 1.9 2.0 29 31 A F E - F 0 38C 0 9,-1.9 9,-3.4 -2,-0.3 2,-0.3 -0.966 31.9-125.8-163.9 168.8 6.4 -0.2 3.4 30 32 A V E -EF 16 37C 0 -14,-2.6 -14,-2.2 -2,-0.3 2,-0.5 -0.854 5.6-149.0-119.0 158.6 9.0 -2.7 2.3 31 33 A D E >> -EF 15 36C 15 5,-2.2 5,-1.7 -2,-0.3 4,-0.6 -0.917 27.3-156.3-118.7 102.3 9.9 -6.2 3.3 32 34 A I T >45S+ 0 0 3 -18,-2.0 3,-1.5 -2,-0.5 24,-1.2 0.895 81.2 32.0 -55.6 -60.5 13.7 -6.1 2.6 33 35 A P T 345S+ 0 0 40 0, 0.0 -1,-0.2 0, 0.0 24,-0.1 0.737 114.1 61.0 -75.8 -15.3 14.9 -9.6 2.0 34 36 A A T 345S- 0 0 25 -3,-0.4 -2,-0.2 2,-0.1 18,-0.1 0.522 106.3-130.3 -79.4 -7.6 11.5 -10.7 0.5 35 37 A K T <<5 + 0 0 83 -3,-1.5 17,-3.3 -4,-0.6 2,-0.4 0.800 57.2 143.3 64.6 34.3 12.1 -8.1 -2.2 36 38 A K E < -FG 31 51C 71 -5,-1.7 -5,-2.2 15,-0.2 2,-0.5 -0.880 45.2-160.1-117.7 138.2 8.7 -6.6 -1.8 37 39 A V E -FG 30 50C 0 13,-2.3 13,-2.8 -2,-0.4 2,-0.3 -0.933 30.0-163.9-101.8 132.5 7.2 -3.1 -1.9 38 40 A C E -FG 29 49C 1 -9,-3.4 -9,-1.9 -2,-0.5 2,-0.4 -0.850 20.1-164.0-126.9 153.5 3.8 -3.2 -0.1 39 41 A R E -FG 28 48C 52 9,-2.5 9,-2.6 -2,-0.3 2,-0.6 -0.956 6.9-164.6-140.3 115.0 0.7 -1.0 0.2 40 42 A W E -FG 27 47C 4 -13,-2.8 -13,-2.4 -2,-0.4 2,-0.6 -0.916 14.3-143.6-106.0 118.2 -1.8 -1.4 2.9 41 43 A D E > -F 26 0C 49 5,-2.8 4,-1.9 -2,-0.6 5,-0.3 -0.684 6.4-155.7 -77.5 114.6 -5.2 0.2 2.4 42 44 A S T 4 S+ 0 0 29 -17,-2.2 -1,-0.2 -2,-0.6 -16,-0.1 0.695 89.5 48.2 -70.4 -16.4 -6.3 1.5 5.9 43 45 A F T 4 S+ 0 0 168 -18,-0.3 -1,-0.2 3,-0.1 -18,-0.1 0.940 123.1 26.7 -85.9 -57.4 -10.0 1.4 4.8 44 46 A T T 4 S- 0 0 65 2,-0.1 -2,-0.2 1,-0.0 3,-0.1 0.661 96.3-135.3 -78.2 -15.1 -10.4 -2.0 3.2 45 47 A K < + 0 0 122 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.679 59.6 134.9 64.6 22.4 -7.5 -3.5 5.3 46 48 A Q - 0 0 135 -5,-0.3 -5,-2.8 -38,-0.0 2,-0.4 -0.734 44.2-145.8-104.0 152.8 -6.1 -5.2 2.2 47 49 A V E -G 40 0C 33 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.964 5.4-159.9-124.1 129.3 -2.5 -5.2 1.1 48 50 A Q E -G 39 0C 99 -9,-2.6 -9,-2.5 -2,-0.4 2,-0.4 -0.817 14.1-168.6 -95.1 146.5 -1.0 -5.1 -2.4 49 51 A R E -G 38 0C 116 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -1.000 10.3-163.8-137.1 138.9 2.6 -6.3 -2.9 50 52 A V E -G 37 0C 11 -13,-2.8 -13,-2.3 -2,-0.4 2,-0.5 -0.971 17.0-140.2-120.3 137.4 5.0 -6.1 -5.8 51 53 A T E -G 36 0C 78 -2,-0.4 -15,-0.2 -15,-0.2 -16,-0.1 -0.842 16.2-163.3-105.1 128.0 8.1 -8.2 -6.0 52 54 A M - 0 0 10 -17,-3.3 4,-0.1 -2,-0.5 32,-0.0 -0.345 31.2-107.7 -99.6-176.6 11.4 -6.9 -7.3 53 55 A D S S+ 0 0 164 -2,-0.1 -18,-0.0 2,-0.1 -1,-0.0 0.508 96.7 18.6 -95.0 -3.3 14.6 -8.6 -8.4 54 56 A A S S- 0 0 30 -19,-0.1 -2,-0.2 18,-0.0 -20,-0.0 -0.924 106.8 -56.4-152.2 168.6 16.8 -7.8 -5.4 55 57 A P - 0 0 40 0, 0.0 17,-2.6 0, 0.0 2,-0.6 -0.252 50.0-147.8 -52.1 139.1 16.3 -6.7 -1.8 56 58 A V E +H 71 0D 0 -24,-1.2 15,-0.2 -25,-0.3 -20,-0.2 -0.947 19.5 177.0-118.3 116.4 14.3 -3.5 -1.6 57 59 A S E + 0 0 2 13,-2.3 2,-0.3 -2,-0.6 46,-0.2 0.685 59.8 8.2 -99.0 -21.7 15.3 -1.3 1.3 58 60 A S E -H 70 0D 0 12,-0.8 12,-2.0 44,-0.1 2,-0.3 -0.991 52.3-161.0-156.5 156.8 13.2 1.8 1.0 59 61 A V E -H 69 0D 3 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.978 12.0-179.0-137.6 149.7 10.3 3.3 -1.0 60 62 A A E -H 68 0D 6 8,-2.6 8,-2.3 -2,-0.3 2,-0.1 -0.978 34.7 -93.4-145.3 156.8 9.2 6.9 -1.5 61 63 A L E -H 67 0D 34 232,-0.4 234,-3.2 -2,-0.3 2,-0.5 -0.446 31.4-150.4 -65.7 139.9 6.5 8.9 -3.3 62 64 A R B > -k 295 0E 58 4,-1.8 3,-1.7 232,-0.2 234,-0.2 -0.982 6.7-146.9-114.4 121.5 7.4 10.1 -6.8 63 65 A Q T 3 S+ 0 0 153 232,-2.4 3,-0.1 -2,-0.5 233,-0.1 0.832 95.3 53.4 -60.0 -37.5 5.6 13.3 -7.7 64 66 A S T 3 S- 0 0 98 233,-0.4 -1,-0.3 231,-0.4 2,-0.1 0.586 129.3 -62.4 -76.7 -7.9 5.2 12.7 -11.4 65 67 A G S < S+ 0 0 40 -3,-1.7 -1,-0.3 1,-0.3 2,-0.1 -0.295 95.7 16.7 135.0 143.4 3.6 9.3 -10.6 66 68 A G S S- 0 0 34 -3,-0.1 -4,-1.8 -2,-0.1 -1,-0.3 -0.393 86.5 -66.8 68.7-147.9 4.3 6.0 -9.0 67 69 A Y E -HI 61 78D 9 11,-2.1 11,-3.7 -6,-0.2 2,-0.3 -0.811 24.9-135.2-135.3 166.9 7.2 5.5 -6.7 68 70 A V E +HI 60 77D 0 -8,-2.3 -8,-2.6 -2,-0.3 2,-0.3 -0.903 29.6 175.7-117.8 158.3 10.9 5.5 -6.4 69 71 A A E -HI 59 76D 0 7,-2.4 7,-2.9 -2,-0.3 2,-0.6 -0.979 34.1-116.1-154.4 163.1 12.8 2.8 -4.4 70 72 A T E +HI 58 75D 0 -12,-2.0 -13,-2.3 -2,-0.3 -12,-0.8 -0.939 34.2 178.7-108.8 114.0 16.2 1.6 -3.5 71 73 A I E > -HI 56 74D 15 3,-2.7 3,-2.2 -2,-0.6 -15,-0.2 -0.973 62.6 -40.9-122.1 119.4 16.8 -1.9 -4.8 72 74 A G T 3 S- 0 0 16 -17,-2.6 28,-2.9 -2,-0.5 -15,-0.2 -0.471 124.5 -30.8 58.5-127.1 20.1 -3.5 -4.2 73 75 A T T 3 S+ 0 0 25 26,-0.2 18,-2.4 -2,-0.2 2,-0.4 -0.060 119.4 104.4-106.6 34.3 22.5 -0.6 -4.8 74 76 A K E < -IJ 71 90D 89 -3,-2.2 -3,-2.7 16,-0.2 2,-0.5 -0.952 65.3-139.6-123.5 129.3 20.3 1.1 -7.3 75 77 A F E -IJ 70 89D 0 14,-2.1 13,-3.5 -2,-0.4 14,-1.6 -0.755 39.8-174.4 -74.4 123.9 18.0 4.1 -7.2 76 78 A C E -IJ 69 87D 6 -7,-2.9 -7,-2.4 -2,-0.5 2,-0.5 -0.922 30.8-134.8-128.3 148.6 15.0 3.0 -9.2 77 79 A A E -IJ 68 86D 7 9,-2.9 9,-2.6 -2,-0.3 2,-0.6 -0.869 28.7-149.0 -93.4 135.1 11.7 4.5 -10.5 78 80 A L E -IJ 67 85D 3 -11,-3.7 -11,-2.1 -2,-0.5 2,-1.3 -0.911 10.0-155.9-115.7 110.9 8.9 2.1 -9.8 79 81 A N E >>> - J 0 84D 84 5,-3.0 5,-1.5 -2,-0.6 4,-1.2 -0.729 12.4-172.4 -82.0 98.3 5.9 1.8 -12.1 80 82 A W T 345S+ 0 0 29 -2,-1.3 -1,-0.2 1,-0.2 3,-0.1 0.850 81.9 52.8 -58.7 -39.7 3.4 0.5 -9.7 81 83 A K T 345S+ 0 0 86 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.745 120.9 32.2 -71.8 -24.1 0.8 -0.1 -12.4 82 84 A E T <45S- 0 0 57 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.400 101.4-131.1-110.2 -1.4 3.2 -2.1 -14.5 83 85 A Q T <5 + 0 0 109 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.796 62.7 133.8 55.0 33.7 5.1 -3.6 -11.6 84 86 A S E < -J 79 0D 54 -5,-1.5 -5,-3.0 -32,-0.0 2,-0.4 -0.859 46.7-147.2-119.2 149.1 8.4 -2.6 -13.3 85 87 A A E -J 78 0D 48 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.921 5.9-163.3-113.6 137.8 11.6 -0.9 -12.1 86 88 A V E -J 77 0D 90 -9,-2.6 -9,-2.9 -2,-0.4 2,-0.2 -0.986 25.4-122.5-120.0 123.3 13.8 1.5 -14.1 87 89 A V E +J 76 0D 71 -2,-0.5 -11,-0.3 -11,-0.2 3,-0.1 -0.430 29.9 175.2 -64.9 124.7 17.3 2.2 -12.9 88 90 A L E - 0 0 30 -13,-3.5 2,-0.3 1,-0.4 -12,-0.2 0.775 68.3 -19.3 -96.6 -36.5 17.9 5.9 -12.3 89 91 A A E -J 75 0D 17 -14,-1.6 -14,-2.1 51,-0.1 -1,-0.4 -0.975 57.5-140.2-164.1 161.8 21.4 5.6 -10.9 90 92 A T E -J 74 0D 55 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.953 15.3-172.2-130.0 149.6 23.7 3.1 -9.2 91 93 A V + 0 0 8 -18,-2.4 -18,-0.1 -2,-0.3 9,-0.1 -0.855 60.6 30.2-132.2 169.4 26.2 3.4 -6.4 92 94 A D > + 0 0 14 -2,-0.3 3,-1.7 1,-0.1 6,-0.2 0.851 59.0 159.5 52.8 41.8 28.9 1.2 -4.7 93 95 A N T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.0 0.711 70.2 60.6 -68.7 -15.1 29.7 -0.6 -7.9 94 96 A D T 3 S+ 0 0 133 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.311 87.0 99.6 -88.7 6.7 33.1 -1.5 -6.3 95 97 A K < - 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