==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 29-JUN-11 3SNY . COMPND 2 MOLECULE: CLOSTRILLIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BEIJERINCKII; . AUTHOR S.S.SRIVASTAVA,R.SANKARANARAYANAN . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 34.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 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 . 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 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 K 0 0 187 0, 0.0 2,-0.3 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 127.0 -19.3 12.4 -22.5 2 4 A A - 0 0 26 17,-0.1 2,-0.5 2,-0.0 17,-0.2 -0.975 360.0-106.3-158.2 159.3 -19.2 10.1 -19.4 3 5 A V E -A 18 0A 0 15,-2.5 15,-2.9 -2,-0.3 2,-0.5 -0.838 34.7-156.4 -86.3 127.4 -19.6 6.5 -18.5 4 6 A T E -AB 17 42A 23 38,-1.6 38,-2.4 -2,-0.5 2,-0.4 -0.947 2.9-157.5-108.1 124.4 -23.0 6.0 -16.8 5 7 A F E -AB 16 41A 0 11,-3.0 11,-2.0 -2,-0.5 2,-0.4 -0.841 9.8-154.8-100.3 137.4 -23.3 3.0 -14.4 6 8 A Y E -AB 15 40A 28 34,-3.2 33,-2.6 -2,-0.4 34,-1.4 -0.892 19.1-143.0-119.9 145.3 -26.8 1.6 -13.6 7 9 A E E S+ 0 0 72 7,-2.6 6,-0.2 -2,-0.4 2,-0.2 0.876 82.7 38.6 -65.9 -42.3 -28.2 -0.4 -10.7 8 10 A D E >> S-A 12 0A 73 4,-2.5 4,-0.7 6,-0.2 3,-0.6 -0.608 95.3 -76.0-115.7 168.8 -30.5 -2.6 -12.7 9 11 A I G >4 S+ 0 0 106 1,-0.2 3,-0.8 -2,-0.2 61,-0.2 -0.208 110.9 18.7 -57.5 148.1 -30.6 -4.6 -16.0 10 12 A N G 34 S- 0 0 112 59,-3.0 -1,-0.2 1,-0.2 60,-0.1 0.861 135.9 -58.2 53.8 44.6 -31.2 -2.6 -19.2 11 13 A Y G <4 S+ 0 0 58 -3,-0.6 -1,-0.2 58,-0.3 -2,-0.2 0.783 98.4 145.0 61.9 34.1 -30.2 0.8 -17.7 12 14 A G E << +A 8 0A 25 -3,-0.8 -4,-2.5 -4,-0.7 -5,-0.3 -0.481 38.6 15.7 -97.5 169.0 -32.8 0.7 -14.9 13 15 A G E S- 0 0 51 -6,-0.2 0, 0.0 -2,-0.2 0, 0.0 -0.184 107.5 -0.6 69.9-160.6 -32.8 2.0 -11.3 14 16 A A E - 0 0 54 -8,-0.1 -7,-2.6 1,-0.0 2,-0.3 -0.247 68.2-163.6 -62.5 147.2 -30.3 4.4 -9.8 15 17 A S E -A 6 0A 66 -9,-0.2 2,-0.4 -8,-0.1 -9,-0.2 -0.980 13.6-170.5-137.2 148.6 -27.5 5.8 -12.0 16 18 A V E -A 5 0A 26 -11,-2.0 -11,-3.0 -2,-0.3 2,-0.4 -0.995 13.3-147.0-139.1 131.8 -24.1 7.5 -11.6 17 19 A S E -A 4 0A 69 -2,-0.4 2,-0.4 -13,-0.3 -13,-0.2 -0.808 16.8-172.7-100.3 139.1 -21.9 9.1 -14.3 18 20 A L E -A 3 0A 15 -15,-2.9 -15,-2.5 -2,-0.4 3,-0.1 -0.986 16.7-137.7-133.3 143.0 -18.1 9.1 -14.1 19 21 A Q - 0 0 104 -2,-0.4 65,-0.1 1,-0.2 -17,-0.1 -0.364 54.3 -63.4 -82.3 169.1 -15.3 10.7 -16.1 20 22 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.204 85.9 100.6 -51.8 147.4 -12.1 8.8 -17.0 21 23 A G E S-D 84 0B 24 63,-1.7 63,-2.9 -3,-0.1 2,-0.6 -0.901 73.4 -83.4 156.3 177.3 -10.0 7.8 -14.0 22 24 A N E -D 83 0B 84 -2,-0.3 2,-0.6 61,-0.2 61,-0.2 -0.933 44.5-167.7-117.9 105.0 -9.1 5.0 -11.6 23 25 A Y E -D 82 0B 46 59,-2.9 59,-2.1 -2,-0.6 34,-0.2 -0.851 6.5-155.7-107.5 119.9 -11.7 4.7 -8.8 24 26 A T > - 0 0 27 -2,-0.6 4,-2.6 57,-0.2 5,-0.2 -0.264 39.2 -95.9 -75.4 172.4 -11.2 2.7 -5.7 25 27 A L H > S+ 0 0 32 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 126.3 48.3 -56.6 -48.8 -14.1 1.2 -3.7 26 28 A S H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.879 112.2 49.5 -61.0 -39.0 -14.1 4.2 -1.2 27 29 A Q H > S+ 0 0 96 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.886 109.7 51.0 -68.5 -39.8 -14.0 6.6 -4.1 28 30 A L H <>S+ 0 0 2 -4,-2.6 5,-2.9 2,-0.2 -2,-0.2 0.914 109.5 51.3 -59.5 -45.4 -16.9 4.9 -5.9 29 31 A N H ><5S+ 0 0 77 -4,-2.5 3,-1.8 3,-0.2 -2,-0.2 0.890 107.0 52.3 -60.3 -42.9 -18.9 5.1 -2.6 30 32 A T H 3<5S+ 0 0 116 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.837 106.6 54.2 -62.8 -31.9 -18.2 8.8 -2.3 31 33 A A T 3<5S- 0 0 30 -4,-1.5 -1,-0.3 2,-0.2 -2,-0.2 0.306 128.2-104.2 -83.2 8.7 -19.5 9.1 -5.9 32 34 A K T < 5S+ 0 0 170 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.660 80.9 131.2 77.1 22.0 -22.7 7.3 -4.7 33 35 A I < - 0 0 0 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.2 -0.917 45.7-150.3-104.3 109.0 -21.9 3.9 -6.2 34 36 A P - 0 0 56 0, 0.0 3,-0.5 0, 0.0 4,-0.3 -0.285 27.1 -90.9 -70.4 161.4 -22.3 1.1 -3.7 35 37 A N S S+ 0 0 73 1,-0.2 45,-0.2 2,-0.1 44,-0.1 -0.354 106.5 11.2 -63.1 151.6 -20.3 -2.1 -3.7 36 38 A D S S+ 0 0 45 43,-1.2 -1,-0.2 1,-0.1 44,-0.1 0.860 101.0 106.6 49.1 53.4 -21.7 -5.1 -5.7 37 39 A W + 0 0 26 -3,-0.5 2,-0.2 42,-0.4 -1,-0.1 0.617 37.5 104.6-134.8 -33.3 -24.4 -3.0 -7.3 38 40 A M + 0 0 2 -4,-0.3 39,-1.9 41,-0.2 40,-0.5 -0.440 25.6 155.5 -74.3 130.1 -23.6 -2.3 -11.0 39 41 A T + 0 0 8 -33,-2.6 32,-2.2 1,-0.4 2,-0.3 0.635 64.8 15.2-124.4 -32.6 -25.6 -4.3 -13.6 40 42 A S E -B 6 0A 0 -34,-1.4 -34,-3.2 30,-0.2 -1,-0.4 -0.962 61.6-173.6-143.4 161.0 -25.5 -2.3 -16.8 41 43 A L E -BC 5 68A 0 27,-2.3 27,-3.3 -2,-0.3 2,-0.5 -0.996 21.5-134.2-155.7 150.4 -23.5 0.7 -18.2 42 44 A K E -B 4 0A 77 -38,-2.4 -38,-1.6 -2,-0.3 25,-0.1 -0.941 23.8-167.5-107.6 130.3 -23.3 3.1 -21.1 43 45 A V - 0 0 7 -2,-0.5 24,-0.4 -40,-0.2 -40,-0.1 -0.974 20.8-122.3-122.5 123.6 -19.8 3.6 -22.6 44 46 A P > - 0 0 19 0, 0.0 3,-1.9 0, 0.0 2,-0.1 -0.258 45.8 -85.1 -60.7 150.7 -18.9 6.4 -25.0 45 47 A S T 3 S+ 0 0 117 1,-0.3 21,-0.1 21,-0.0 3,-0.1 -0.363 115.9 18.8 -61.1 130.1 -17.5 5.4 -28.4 46 48 A G T 3 S+ 0 0 51 19,-0.5 -1,-0.3 1,-0.3 2,-0.1 0.278 101.1 117.4 93.3 -8.7 -13.8 4.8 -28.3 47 49 A W < - 0 0 22 -3,-1.9 2,-0.4 18,-0.2 -1,-0.3 -0.479 51.1-147.8 -91.3 160.6 -13.7 4.5 -24.5 48 50 A T E -E 85 0B 33 37,-2.3 37,-2.9 -2,-0.1 2,-0.5 -0.996 5.9-165.5-130.5 134.6 -12.7 1.5 -22.3 49 51 A V E -EF 84 64B 0 15,-2.3 15,-2.3 -2,-0.4 2,-0.7 -0.966 2.2-165.7-122.4 113.9 -14.1 0.4 -18.9 50 52 A D E -EF 83 63B 18 33,-3.0 33,-2.4 -2,-0.5 2,-0.5 -0.889 11.0-161.9 -99.7 109.9 -12.2 -2.1 -16.8 51 53 A V E -EF 82 62B 0 11,-3.6 11,-2.9 -2,-0.7 2,-0.4 -0.817 5.5-155.5 -97.4 124.2 -14.5 -3.4 -14.0 52 54 A Y E -EF 81 61B 24 29,-2.9 28,-2.6 -2,-0.5 29,-1.3 -0.842 17.5-148.1-108.9 139.5 -12.7 -5.1 -11.1 53 55 A E E S+ 0 0 52 7,-2.4 2,-0.2 -2,-0.4 6,-0.2 0.823 84.9 38.3 -67.0 -37.6 -14.2 -7.7 -8.7 54 56 A N E > S- F 0 58B 66 4,-2.1 4,-0.6 6,-0.2 3,-0.5 -0.671 95.9 -86.1-114.3 169.0 -12.1 -6.5 -5.8 55 57 A D T >4 S+ 0 0 48 -2,-0.2 3,-0.6 1,-0.2 26,-0.2 -0.204 103.7 32.8 -66.6 161.3 -10.8 -3.2 -4.4 56 58 A N T 34 S- 0 0 101 24,-0.3 -1,-0.2 1,-0.2 3,-0.1 0.787 130.0 -66.4 60.3 34.3 -7.6 -1.5 -5.7 57 59 A F T 34 S+ 0 0 50 -3,-0.5 2,-0.2 1,-0.2 -1,-0.2 0.888 102.7 121.3 60.7 45.7 -8.0 -2.9 -9.3 58 60 A T E << +F 54 0B 79 -4,-0.6 -4,-2.1 -3,-0.6 -1,-0.2 -0.798 39.1 42.0-131.0 175.5 -7.5 -6.5 -8.4 59 61 A G E S- 0 0 43 -2,-0.2 0, 0.0 -6,-0.2 0, 0.0 -0.323 106.9 -6.2 76.7-169.2 -9.4 -9.8 -8.8 60 62 A T E - 0 0 69 -8,-0.1 -7,-2.4 -2,-0.1 2,-0.5 -0.263 68.3-149.8 -57.6 137.6 -11.3 -10.6 -12.0 61 63 A K E -F 52 0B 110 -9,-0.2 2,-0.4 -8,-0.1 -9,-0.2 -0.965 9.2-167.2-116.5 124.5 -11.4 -7.8 -14.6 62 64 A W E -F 51 0B 39 -11,-2.9 -11,-3.6 -2,-0.5 2,-0.4 -0.941 12.1-150.3-111.7 133.7 -14.3 -7.4 -17.0 63 65 A T E -F 50 0B 74 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.884 13.4-176.8-115.2 131.3 -13.9 -5.1 -20.0 64 66 A Y E +F 49 0B 27 -15,-2.3 -15,-2.3 -2,-0.4 3,-0.1 -0.990 15.1 167.9-130.1 132.0 -16.6 -3.0 -21.7 65 67 A T + 0 0 85 -2,-0.4 -19,-0.5 -17,-0.2 2,-0.3 0.253 69.1 32.0-126.4 6.6 -16.1 -0.8 -24.8 66 68 A S S S- 0 0 70 -21,-0.1 -25,-0.1 -17,-0.1 -17,-0.1 -0.942 104.4 -55.9-151.3 171.7 -19.8 -0.2 -25.8 67 69 A D - 0 0 88 -24,-0.4 -25,-0.2 -2,-0.3 -2,-0.1 -0.308 53.7-165.2 -53.1 131.9 -23.2 0.3 -24.2 68 70 A T B -C 41 0A 20 -27,-3.3 -27,-2.3 1,-0.1 -57,-0.2 -0.927 20.6-174.9-133.8 102.4 -23.9 -2.9 -22.2 69 71 A P S S+ 0 0 58 0, 0.0 -59,-3.0 0, 0.0 2,-0.3 0.648 86.0 23.7 -72.4 -14.5 -27.5 -3.6 -21.0 70 72 A W - 0 0 99 -61,-0.2 -30,-0.2 -60,-0.1 3,-0.1 -0.903 66.0-154.1-154.0 120.0 -26.3 -6.6 -19.0 71 73 A V - 0 0 10 -32,-2.2 4,-0.2 -2,-0.3 2,-0.1 0.618 57.2 -95.0 -72.3 -12.9 -22.7 -7.0 -17.7 72 74 A G > - 0 0 24 -33,-0.2 4,-1.9 1,-0.1 -1,-0.2 -0.195 34.0 -84.4 110.3 154.7 -22.9 -10.8 -17.7 73 75 A N T 4 S+ 0 0 134 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.858 127.3 46.9 -62.2 -38.5 -23.8 -13.4 -15.0 74 76 A D T 4 S+ 0 0 130 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.881 117.8 41.8 -68.5 -40.1 -20.2 -13.5 -13.6 75 77 A A T >4 S+ 0 0 3 -4,-0.2 3,-1.1 -36,-0.1 4,-0.4 0.673 85.2 117.8 -84.4 -20.9 -19.8 -9.7 -13.5 76 78 A N T 3< S- 0 0 41 -4,-1.9 -37,-0.2 1,-0.3 -38,-0.1 -0.252 90.0 -6.2 -58.1 130.2 -23.3 -8.8 -12.2 77 79 A D T 3 S+ 0 0 65 -39,-1.9 -1,-0.3 -70,-0.1 -38,-0.1 0.902 107.8 104.3 51.8 49.3 -23.2 -7.0 -8.8 78 80 A K < + 0 0 64 -3,-1.1 -2,-0.1 -40,-0.5 2,-0.1 0.521 35.1 124.6-129.6 -15.3 -19.5 -7.4 -8.4 79 81 A M + 0 0 1 -4,-0.4 -43,-1.2 -41,-0.3 -42,-0.4 -0.319 12.4 150.0 -61.3 122.7 -17.9 -4.0 -9.2 80 82 A R S S+ 0 0 80 -28,-2.6 2,-0.3 1,-0.5 -24,-0.3 0.422 72.3 14.2-126.4 -12.7 -15.6 -2.8 -6.3 81 83 A S E - E 0 52B 0 -29,-1.3 -29,-2.9 -26,-0.2 -1,-0.5 -0.967 66.6-168.7-155.3 160.8 -13.1 -0.8 -8.4 82 84 A V E -DE 23 51B 0 -59,-2.1 -59,-2.9 -2,-0.3 2,-0.5 -0.997 15.6-153.1-153.9 140.5 -13.0 0.5 -11.9 83 85 A K E -DE 22 50B 49 -33,-2.4 -33,-3.0 -2,-0.3 2,-0.4 -0.986 17.7-166.3-114.6 128.6 -10.6 2.1 -14.4 84 86 A I E -DE 21 49B 2 -63,-2.9 -63,-1.7 -2,-0.5 2,-0.4 -0.963 5.5-175.2-117.7 128.4 -12.1 4.3 -17.2 85 87 A Y E - E 0 48B 91 -37,-2.9 -37,-2.3 -2,-0.4 -2,-0.0 -0.955 29.6-148.1-122.5 142.2 -10.2 5.4 -20.3 86 88 A S 0 0 68 -2,-0.4 -39,-0.1 -39,-0.2 -37,-0.1 0.199 360.0 360.0 -87.0 15.2 -11.2 7.8 -23.1 87 89 A T 0 0 129 -39,-0.2 -2,-0.2 0, 0.0 -41,-0.0 -0.544 360.0 360.0-133.4 360.0 -9.0 5.5 -25.3