==== 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 3SNZ . 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) . 4504.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 59.8 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 . 28 32.2 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 . 4 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 6.9 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 1 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 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 0 183 0, 0.0 2,-0.3 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0 104.8 -4.3 -23.5 -32.2 2 4 A A - 0 0 27 17,-0.1 2,-0.5 2,-0.0 17,-0.2 -0.947 360.0 -94.4-156.5 168.0 -5.6 -21.4 -35.1 3 5 A V E -A 18 0A 0 15,-2.4 15,-3.0 -2,-0.3 2,-0.5 -0.861 38.4-161.0 -91.2 129.8 -8.5 -19.2 -36.2 4 6 A T E -AB 17 42A 17 38,-1.6 38,-2.5 -2,-0.5 2,-0.4 -0.965 2.1-156.9-116.9 125.6 -11.1 -21.1 -38.2 5 7 A F E -AB 16 41A 6 11,-2.8 11,-1.7 -2,-0.5 2,-0.3 -0.849 9.5-158.2 -99.8 135.3 -13.5 -19.4 -40.5 6 8 A Y E -AB 15 40A 29 34,-3.5 33,-2.5 -2,-0.4 34,-1.6 -0.880 17.7-143.2-117.9 146.7 -16.8 -21.1 -41.3 7 9 A E S S+ 0 0 64 7,-1.9 2,-0.3 -2,-0.3 6,-0.2 0.747 83.3 37.1 -81.8 -27.3 -19.1 -20.5 -44.3 8 10 A D S > S- 0 0 94 4,-2.3 3,-0.5 6,-0.2 4,-0.5 -0.770 96.8 -75.6-120.0 173.2 -22.4 -20.9 -42.4 9 11 A I G > S+ 0 0 54 -2,-0.3 3,-1.7 1,-0.2 61,-0.2 -0.035 107.5 23.2 -57.0 157.6 -23.8 -20.1 -39.0 10 12 A N G 3 S- 0 0 105 59,-2.7 -1,-0.2 1,-0.3 60,-0.1 0.782 133.3 -61.7 50.6 38.2 -22.9 -22.1 -35.8 11 13 A Y G < S+ 0 0 64 -3,-0.5 -1,-0.3 58,-0.4 -2,-0.2 0.768 99.6 142.9 61.4 30.6 -19.6 -23.3 -37.2 12 14 A G < + 0 0 27 -3,-1.7 -4,-2.3 -4,-0.5 -5,-0.3 -0.539 38.0 22.3 -94.5 163.9 -21.3 -25.2 -40.1 13 15 A G S S- 0 0 63 -6,-0.2 0, 0.0 -2,-0.2 0, 0.0 -0.195 105.7 -5.5 79.2-170.7 -20.2 -25.7 -43.7 14 16 A A - 0 0 54 -8,-0.1 -7,-1.9 1,-0.0 2,-0.3 -0.198 68.5-165.3 -58.5 145.4 -16.8 -25.4 -45.3 15 17 A S E -A 6 0A 63 -9,-0.2 2,-0.4 -8,-0.1 -9,-0.2 -0.996 16.3-172.4-141.4 142.5 -14.0 -24.3 -43.0 16 18 A V E -A 5 0A 37 -11,-1.7 -11,-2.8 -2,-0.3 2,-0.4 -0.999 14.3-147.6-134.3 135.7 -10.4 -23.0 -43.3 17 19 A S E -A 4 0A 65 -2,-0.4 2,-0.3 -13,-0.3 -13,-0.3 -0.848 15.9-171.1-104.3 138.4 -8.0 -22.4 -40.4 18 20 A L E -A 3 0A 18 -15,-3.0 -15,-2.4 -2,-0.4 3,-0.1 -0.950 16.6-135.8-131.1 149.4 -5.3 -19.7 -40.5 19 21 A Q - 0 0 104 -2,-0.3 65,-0.1 1,-0.2 -17,-0.1 -0.427 54.8 -63.8 -87.5 169.4 -2.4 -18.7 -38.4 20 22 A P S S+ 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.235 85.5 101.9 -54.6 148.5 -1.7 -15.1 -37.4 21 23 A G E S-D 84 0B 23 63,-1.8 63,-2.6 -3,-0.1 2,-0.6 -0.890 73.8 -81.8 156.5 176.1 -0.9 -12.8 -40.3 22 24 A N E -D 83 0B 83 -2,-0.3 2,-0.6 61,-0.2 61,-0.2 -0.926 45.4-165.4-114.3 105.9 -2.3 -10.1 -42.7 23 25 A Y E -D 82 0B 43 59,-3.1 59,-2.2 -2,-0.6 34,-0.2 -0.845 5.4-159.0-107.6 116.2 -4.4 -11.7 -45.4 24 26 A T > - 0 0 26 -2,-0.6 4,-2.5 57,-0.2 5,-0.2 -0.272 40.1 -98.5 -75.6 168.6 -5.5 -10.0 -48.6 25 27 A L H > S+ 0 0 33 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.919 125.7 54.7 -53.7 -46.5 -8.4 -11.2 -50.7 26 28 A S H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.904 110.3 45.7 -54.0 -45.6 -5.9 -12.9 -53.1 27 29 A Q H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.865 111.7 50.9 -69.2 -38.1 -4.4 -14.8 -50.2 28 30 A L H <>S+ 0 0 2 -4,-2.5 5,-3.0 52,-0.2 -2,-0.2 0.933 109.6 51.6 -61.8 -46.2 -7.8 -15.7 -48.8 29 31 A N H ><5S+ 0 0 76 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.864 109.6 49.0 -59.5 -39.2 -8.8 -17.0 -52.2 30 32 A T H 3<5S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.853 106.7 56.0 -66.7 -36.0 -5.6 -19.2 -52.4 31 33 A A T 3<5S- 0 0 31 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.323 124.9-107.9 -78.9 8.2 -6.4 -20.5 -48.9 32 34 A K T < 5S+ 0 0 166 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.643 79.8 131.5 73.4 19.1 -9.8 -21.6 -50.3 33 35 A I < - 0 0 13 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.913 49.9-143.1 -98.9 112.8 -11.7 -18.9 -48.5 34 36 A P > - 0 0 49 0, 0.0 3,-0.7 0, 0.0 4,-0.1 -0.301 25.6 -88.4 -72.8 158.4 -14.0 -17.2 -51.0 35 37 A N T 3 S+ 0 0 66 1,-0.2 45,-0.2 2,-0.1 44,-0.1 -0.323 105.1 3.2 -57.2 143.9 -14.9 -13.5 -51.0 36 38 A D T 3 S+ 0 0 68 43,-1.8 -1,-0.2 1,-0.1 44,-0.1 0.819 99.5 109.8 50.7 47.9 -17.9 -12.4 -48.9 37 39 A D < + 0 0 44 -3,-0.7 2,-0.5 42,-0.4 -1,-0.1 0.403 34.2 113.9-135.0 -0.2 -18.6 -15.9 -47.4 38 40 A M + 0 0 4 41,-0.2 39,-2.0 1,-0.2 40,-0.5 -0.677 21.4 156.8 -88.9 127.1 -17.7 -15.9 -43.8 39 41 A T + 0 0 4 -33,-2.5 32,-1.9 -2,-0.5 2,-0.3 0.651 65.5 11.9-119.2 -31.4 -20.6 -16.3 -41.3 40 42 A S E -B 6 0A 0 -34,-1.6 -34,-3.5 30,-0.2 -1,-0.4 -0.974 61.8-173.5-145.1 161.9 -19.0 -17.7 -38.1 41 43 A L E -BC 5 68A 0 27,-2.1 27,-2.9 -2,-0.3 2,-0.5 -0.998 22.2-132.4-154.2 154.2 -15.5 -18.2 -36.7 42 44 A K E -B 4 0A 74 -38,-2.5 -38,-1.6 -2,-0.3 25,-0.1 -0.945 23.6-169.3-107.6 128.3 -13.5 -19.6 -33.8 43 45 A V - 0 0 4 -2,-0.5 24,-0.3 -40,-0.2 -40,-0.1 -0.978 23.1-122.1-119.7 120.8 -10.8 -17.4 -32.2 44 46 A P > - 0 0 20 0, 0.0 3,-2.3 0, 0.0 -41,-0.0 -0.307 44.0 -89.8 -58.9 141.7 -8.2 -18.7 -29.7 45 47 A S T 3 S+ 0 0 117 1,-0.3 21,-0.1 3,-0.0 3,-0.1 -0.290 115.9 22.1 -52.6 129.0 -8.3 -17.0 -26.3 46 48 A G T 3 S+ 0 0 53 19,-0.5 -1,-0.3 1,-0.4 2,-0.2 0.286 101.3 110.9 92.7 -10.5 -6.0 -14.0 -26.4 47 49 A W < - 0 0 19 -3,-2.3 2,-0.4 18,-0.2 -1,-0.4 -0.566 54.5-146.8 -93.3 160.5 -6.0 -13.6 -30.2 48 50 A T E -E 85 0B 30 37,-2.3 37,-2.9 -2,-0.2 2,-0.5 -0.994 5.7-163.5-129.9 134.7 -7.7 -10.8 -32.2 49 51 A V E -EF 84 64B 0 15,-2.5 15,-2.5 -2,-0.4 2,-0.7 -0.977 1.9-165.7-119.9 118.3 -9.3 -11.1 -35.6 50 52 A D E -EF 83 63B 17 33,-3.2 33,-2.5 -2,-0.5 2,-0.5 -0.901 9.7-163.0-106.2 105.2 -9.9 -7.9 -37.6 51 53 A V E -EF 82 62B 0 11,-3.1 11,-2.9 -2,-0.7 2,-0.4 -0.758 5.3-157.1 -90.6 128.0 -12.3 -8.6 -40.4 52 54 A Y E -EF 81 61B 28 29,-2.9 28,-2.5 -2,-0.5 29,-1.6 -0.895 17.8-146.1-114.0 139.7 -12.4 -6.0 -43.2 53 55 A E E S+ 0 0 59 7,-2.6 2,-0.2 -2,-0.4 6,-0.2 0.775 85.2 36.9 -70.4 -29.8 -15.2 -5.3 -45.7 54 56 A N E >> S- F 0 58B 80 4,-2.3 4,-0.9 6,-0.2 3,-0.5 -0.720 96.9 -79.4-123.3 173.2 -12.8 -4.4 -48.5 55 57 A D T 34 S+ 0 0 52 -2,-0.2 3,-0.2 1,-0.2 26,-0.2 -0.219 103.7 27.4 -74.4 159.1 -9.5 -5.5 -49.8 56 58 A N T 34 S- 0 0 97 24,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.836 131.8 -62.1 58.5 38.3 -6.1 -4.5 -48.3 57 59 A F T <4 S+ 0 0 50 -3,-0.5 2,-0.2 1,-0.2 -1,-0.2 0.912 105.0 122.8 61.4 48.8 -7.5 -4.0 -44.8 58 60 A T E < +F 54 0B 78 -4,-0.9 -4,-2.3 -3,-0.2 -1,-0.2 -0.795 38.2 42.9-133.1 176.2 -9.9 -1.2 -45.8 59 61 A G E S- 0 0 42 -2,-0.2 2,-0.1 -6,-0.2 0, 0.0 -0.373 107.4 -9.8 77.6-167.6 -13.6 -0.5 -45.6 60 62 A T E - 0 0 70 -2,-0.1 -7,-2.6 -8,-0.1 2,-0.5 -0.343 68.9-148.6 -63.4 142.3 -15.5 -1.3 -42.4 61 63 A K E -F 52 0B 109 -9,-0.2 2,-0.4 -8,-0.1 -9,-0.2 -0.961 10.3-167.1-121.5 125.5 -13.7 -3.3 -39.8 62 64 A W E -F 51 0B 49 -11,-2.9 -11,-3.1 -2,-0.5 2,-0.4 -0.940 12.6-149.1-110.2 138.1 -15.2 -5.9 -37.4 63 65 A T E -F 50 0B 74 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.904 12.8-175.2-113.5 130.9 -13.2 -7.2 -34.4 64 66 A Y E +F 49 0B 22 -15,-2.5 -15,-2.5 -2,-0.4 3,-0.1 -0.985 15.7 166.6-125.9 133.2 -13.6 -10.6 -32.8 65 67 A T + 0 0 83 -2,-0.4 -19,-0.5 -17,-0.2 2,-0.3 0.294 68.4 31.2-127.1 5.0 -11.7 -11.9 -29.7 66 68 A S S S- 0 0 70 -21,-0.1 -1,-0.1 -17,-0.1 -25,-0.1 -0.946 103.3 -58.0-151.5 171.4 -13.7 -15.0 -28.9 67 69 A D - 0 0 85 -24,-0.3 -25,-0.2 -2,-0.3 -2,-0.1 -0.294 50.3-167.5 -55.1 132.0 -15.7 -17.8 -30.6 68 70 A T B -C 41 0A 23 -27,-2.9 -27,-2.1 1,-0.1 -57,-0.2 -0.913 16.3-175.6-132.7 100.5 -18.5 -16.2 -32.6 69 71 A P S S+ 0 0 53 0, 0.0 -59,-2.7 0, 0.0 -58,-0.4 0.670 83.3 24.8 -71.4 -15.6 -21.2 -18.6 -33.9 70 72 A W - 0 0 108 -61,-0.2 -30,-0.2 -60,-0.1 3,-0.1 -0.923 61.1-161.9-153.5 117.8 -22.9 -15.8 -35.7 71 73 A V - 0 0 17 -32,-1.9 4,-0.4 -2,-0.3 3,-0.1 0.596 50.6-114.1 -79.1 -10.4 -21.3 -12.5 -36.9 72 74 A G > - 0 0 20 -33,-0.2 4,-1.9 3,-0.1 3,-0.2 0.017 30.3 -75.8 92.2 158.4 -24.6 -10.7 -37.3 73 75 A N T 4 S+ 0 0 128 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.829 126.0 51.6 -60.3 -41.2 -26.5 -9.3 -40.3 74 76 A D T 4 S+ 0 0 128 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.886 120.9 32.6 -64.1 -40.5 -24.3 -6.3 -40.9 75 77 A A T >4 S+ 0 0 4 -4,-0.4 3,-1.1 -3,-0.2 4,-0.3 0.606 91.2 117.7 -92.2 -15.4 -21.0 -8.2 -40.9 76 78 A N T 3< S- 0 0 33 -4,-1.9 -37,-0.2 1,-0.2 -38,-0.0 -0.285 87.8 -2.2 -60.9 135.4 -22.3 -11.5 -42.4 77 79 A D T 3 S+ 0 0 63 -39,-2.0 -1,-0.2 1,-0.1 -38,-0.1 0.841 103.5 109.7 53.3 40.9 -20.7 -12.5 -45.8 78 80 A K < + 0 0 66 -3,-1.1 2,-0.4 -40,-0.5 -2,-0.1 0.471 32.9 123.3-120.6 -8.1 -18.6 -9.4 -45.9 79 81 A M + 0 0 4 -41,-0.3 -43,-1.8 -4,-0.3 -42,-0.4 -0.438 12.9 147.5 -68.7 119.2 -15.0 -10.6 -45.3 80 82 A T S S+ 0 0 11 -28,-2.5 2,-0.3 1,-0.5 -52,-0.2 0.573 73.8 10.9-118.7 -29.7 -12.7 -9.6 -48.1 81 83 A S E - E 0 52B 0 -29,-1.6 -29,-2.9 -26,-0.2 -1,-0.5 -0.965 68.4-167.3-144.0 163.9 -9.4 -9.1 -46.1 82 84 A V E -DE 23 51B 0 -59,-2.2 -59,-3.1 -2,-0.3 2,-0.4 -0.995 14.7-153.8-155.3 138.9 -8.4 -10.0 -42.5 83 85 A K E -DE 22 50B 49 -33,-2.5 -33,-3.2 -2,-0.3 2,-0.4 -0.970 15.9-168.1-114.2 134.9 -5.7 -9.4 -39.9 84 86 A I E -DE 21 49B 2 -63,-2.6 -63,-1.8 -2,-0.4 2,-0.4 -0.990 3.0-172.1-126.0 125.2 -5.1 -12.0 -37.2 85 87 A Y E - E 0 48B 80 -37,-2.9 -37,-2.3 -2,-0.4 -2,-0.0 -0.949 30.8-141.8-118.2 137.7 -3.0 -11.4 -34.2 86 88 A S 0 0 81 -2,-0.4 -39,-0.1 1,-0.2 -37,-0.1 0.147 360.0 360.0 -75.5 19.8 -1.8 -13.9 -31.5 87 89 A T 0 0 120 -39,-0.2 -1,-0.2 0, 0.0 -40,-0.2 0.282 360.0 360.0-140.1 360.0 -2.5 -10.8 -29.3