==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-APR-12 4AQO . COMPND 2 MOLECULE: COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM HISTOLYTICUM; . AUTHOR U.ECKHARD,H.BRANDSTETTER . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4945.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 38.4 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 . 9 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.7 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+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 1 1 0 0 0 1 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 1 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 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 1 795 A N 0 0 105 0, 0.0 2,-0.4 0, 0.0 31,-0.0 0.000 360.0 360.0 360.0 149.4 2.4 -16.0 7.1 2 796 A K - 0 0 128 72,-0.1 29,-0.3 0, 0.0 72,-0.1 -0.942 360.0-115.7-112.0 139.7 -0.0 -13.2 6.8 3 797 A A - 0 0 46 -2,-0.4 27,-0.3 1,-0.1 72,-0.1 -0.374 34.8-108.6 -67.0 152.6 1.1 -9.8 5.5 4 798 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 25,-0.2 -0.167 23.2-123.3 -73.0 174.5 1.0 -6.8 7.8 5 799 A I B -A 28 0A 91 23,-2.8 23,-2.0 71,-0.1 2,-0.3 -0.991 20.7-135.9-124.5 124.0 -1.4 -3.9 7.5 6 800 A A - 0 0 8 -2,-0.4 2,-0.3 71,-0.3 71,-0.1 -0.577 22.4-179.6 -78.4 139.1 -0.1 -0.3 7.2 7 801 A K - 0 0 93 17,-0.3 20,-0.5 -2,-0.3 19,-0.4 -0.949 9.8-158.4-141.2 122.5 -1.6 2.5 9.3 8 802 A V - 0 0 15 -2,-0.3 2,-0.4 18,-0.1 16,-0.2 -0.809 5.9-171.4 -97.6 134.4 -0.4 6.1 9.2 9 803 A T B +B 23 0B 50 14,-2.8 14,-2.8 -2,-0.4 16,-0.1 -0.976 39.1 86.1-120.1 142.2 -1.1 8.6 11.9 10 804 A G S S- 0 0 39 -2,-0.4 12,-0.2 12,-0.2 2,-0.1 -0.909 76.8 -38.0 156.4-178.2 -0.3 12.3 11.5 11 805 A P - 0 0 49 0, 0.0 3,-0.1 0, 0.0 9,-0.0 -0.401 27.9-157.9 -74.6 149.4 -1.8 15.4 10.2 12 806 A S S S+ 0 0 76 1,-0.2 71,-2.5 70,-0.1 2,-0.3 0.464 85.6 40.8 -98.7 -6.0 -3.9 15.6 7.0 13 807 A T E +d 83 0C 75 69,-0.2 2,-0.3 71,-0.0 71,-0.2 -0.994 67.1 155.2-136.7 141.3 -3.1 19.4 6.7 14 808 A G E -d 84 0C 16 69,-2.6 71,-2.9 -2,-0.3 2,-0.3 -0.850 34.2-104.3-146.7-172.7 0.2 21.2 7.1 15 809 A A E > -d 85 0C 22 69,-0.3 3,-1.9 -2,-0.3 41,-0.3 -0.867 41.8 -85.0-124.6 150.5 1.9 24.3 6.0 16 810 A V T 3 S+ 0 0 38 69,-2.4 41,-0.2 -2,-0.3 3,-0.1 -0.215 110.1 8.0 -54.8 133.8 4.8 25.0 3.6 17 811 A G T 3 S+ 0 0 52 39,-2.9 2,-0.3 1,-0.2 -1,-0.3 0.342 98.8 120.5 82.5 -10.0 8.2 24.6 5.0 18 812 A R S < S- 0 0 175 -3,-1.9 2,-0.6 38,-0.2 38,-0.5 -0.660 70.7-108.3 -91.9 146.7 7.1 23.1 8.3 19 813 A N E - C 0 55B 108 -2,-0.3 2,-0.5 36,-0.2 36,-0.2 -0.592 30.2-153.2 -76.1 118.3 8.1 19.7 9.5 20 814 A I E - C 0 54B 9 34,-3.0 34,-1.8 -2,-0.6 2,-0.5 -0.840 7.8-144.7 -93.6 126.9 5.2 17.3 9.3 21 815 A E E - C 0 53B 146 -2,-0.5 2,-0.3 32,-0.2 32,-0.2 -0.838 20.0-178.1 -98.2 121.1 5.5 14.4 11.8 22 816 A F E - C 0 52B 4 30,-2.9 30,-2.5 -2,-0.5 2,-0.4 -0.892 6.4-165.3-114.6 147.5 4.2 11.0 10.7 23 817 A S E -BC 9 51B 8 -14,-2.8 -14,-2.8 -2,-0.3 28,-0.2 -0.983 19.8-175.6-129.6 146.2 4.0 7.7 12.6 24 818 A G > + 0 0 0 26,-3.0 3,-2.3 -2,-0.4 -17,-0.3 0.194 55.6 113.3-109.1 10.2 3.4 4.2 11.4 25 819 A K T 3 + 0 0 118 25,-0.5 -17,-0.1 1,-0.3 -1,-0.1 0.699 68.6 61.6 -64.3 -21.0 3.3 2.7 14.9 26 820 A D T 3 S+ 0 0 82 -19,-0.4 -1,-0.3 -3,-0.1 -18,-0.1 0.532 79.0 114.4 -79.3 -6.8 -0.4 1.7 14.7 27 821 A S < - 0 0 11 -3,-2.3 2,-0.4 -20,-0.5 -21,-0.2 -0.339 56.9-150.7 -59.0 151.0 0.4 -0.6 11.8 28 822 A K B -A 5 0A 66 -23,-2.0 -23,-2.8 5,-0.1 2,-0.5 -0.980 25.8-166.6-133.9 136.7 -0.2 -4.2 12.7 29 823 A D > - 0 0 21 -2,-0.4 3,-0.9 3,-0.3 5,-0.1 -0.981 15.6-157.8-115.2 116.1 1.2 -7.6 11.9 30 824 A E T 3 S+ 0 0 148 -2,-0.5 -1,-0.1 -27,-0.3 -27,-0.1 0.760 88.7 25.7 -65.9 -24.4 -1.2 -10.2 13.2 31 825 A D T 3 S- 0 0 75 -29,-0.3 2,-0.2 -3,-0.1 -1,-0.2 0.091 129.2 -4.0-130.2 22.6 1.4 -13.0 13.3 32 826 A G S < S- 0 0 39 -3,-0.9 2,-0.4 -31,-0.0 -3,-0.3 -0.848 82.8 -59.7-179.3-150.4 4.7 -11.3 13.7 33 827 A K - 0 0 151 -2,-0.2 38,-1.2 -5,-0.1 2,-0.5 -0.965 33.1-122.7-128.8 142.0 6.6 -8.0 13.8 34 828 A I E -E 70 0C 13 -2,-0.4 36,-0.3 36,-0.2 3,-0.1 -0.741 26.8-177.7 -82.5 124.9 7.0 -5.1 11.5 35 829 A V E + 0 0 89 34,-2.6 2,-0.3 -2,-0.5 35,-0.2 0.519 62.6 25.2-105.3 -10.8 10.7 -4.7 10.9 36 830 A S E -E 69 0C 19 33,-1.1 33,-1.9 13,-0.1 2,-0.5 -0.972 52.7-160.8-156.2 146.6 10.7 -1.6 8.6 37 831 A Y E -E 68 0C 36 -2,-0.3 12,-2.6 31,-0.2 2,-0.4 -0.966 19.9-168.3-127.8 105.2 8.5 1.4 7.9 38 832 A D E -EF 67 48C 39 29,-3.1 29,-2.8 -2,-0.5 2,-0.4 -0.834 2.4-159.4-103.1 138.7 9.3 3.1 4.6 39 833 A W E -EF 66 47C 5 8,-2.8 8,-1.7 -2,-0.4 2,-0.4 -0.930 17.4-175.6-121.3 138.8 8.0 6.4 3.5 40 834 A D E -EF 65 46C 67 25,-2.3 25,-2.9 -2,-0.4 6,-0.2 -0.989 14.1-160.4-125.9 116.2 7.5 8.1 0.2 41 835 A F - 0 0 1 4,-2.7 5,-0.1 -2,-0.4 -1,-0.1 0.514 37.2-113.0 -85.1 -4.9 6.2 11.7 0.8 42 836 A G S S+ 0 0 37 3,-0.4 21,-0.2 20,-0.1 22,-0.1 0.353 105.6 78.2 95.5 -7.7 4.8 12.3 -2.7 43 837 A D S S- 0 0 49 2,-0.2 3,-0.1 19,-0.1 14,-0.1 -0.007 121.6 -88.2-115.8 19.5 7.3 15.0 -3.6 44 838 A G S S+ 0 0 65 1,-0.3 2,-0.2 0, 0.0 0, 0.0 0.198 91.0 126.3 93.4 -15.2 10.1 12.5 -4.4 45 839 A A - 0 0 29 -5,-0.0 -4,-2.7 1,-0.0 -3,-0.4 -0.520 37.8-168.1 -83.2 146.7 11.5 12.3 -0.8 46 840 A T E +F 40 0C 106 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.915 10.7 166.9-129.9 155.2 11.9 9.1 1.1 47 841 A S E -F 39 0C 46 -8,-1.7 -8,-2.8 -2,-0.3 2,-0.3 -0.935 21.0-140.2-152.1 174.3 12.6 8.1 4.7 48 842 A R E +F 38 0C 166 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.2 -0.990 46.3 93.4-142.8 133.9 12.5 5.1 7.0 49 843 A G S S- 0 0 21 -12,-2.6 -25,-0.1 -2,-0.3 -13,-0.1 -0.612 74.9-102.4 154.4 150.1 11.4 4.8 10.6 50 844 A K S S+ 0 0 75 -2,-0.2 -26,-3.0 -27,-0.1 -25,-0.5 0.860 120.5 29.4 -58.2 -34.9 8.4 4.1 12.8 51 845 A N E S+C 23 0B 97 -28,-0.2 2,-0.3 -27,-0.1 -28,-0.2 -0.910 82.4 172.0-118.1 146.2 8.2 7.8 13.1 52 846 A S E -C 22 0B 14 -30,-2.5 -30,-2.9 -2,-0.4 2,-0.3 -0.968 17.7-147.1-147.8 166.0 9.4 10.1 10.3 53 847 A V E +C 21 0B 68 -2,-0.3 2,-0.3 -32,-0.2 -32,-0.2 -0.977 14.8 173.2-137.7 148.7 9.3 13.8 9.4 54 848 A H E -C 20 0B 28 -34,-1.8 -34,-3.0 -2,-0.3 2,-0.4 -0.958 17.2-152.6-153.1 141.6 9.1 15.7 6.2 55 849 A A E -C 19 0B 29 -2,-0.3 2,-0.4 -36,-0.2 -36,-0.2 -0.954 17.7-141.7-112.7 135.6 8.8 19.4 5.2 56 850 A Y - 0 0 1 -38,-0.5 -39,-2.9 -2,-0.4 -38,-0.2 -0.810 4.1-157.6 -97.6 133.5 7.1 20.3 1.8 57 851 A K S S+ 0 0 175 -2,-0.4 2,-0.4 -41,-0.2 -1,-0.1 0.584 76.1 45.6 -85.0 -16.8 8.6 23.1 -0.2 58 852 A K S S- 0 0 153 -43,-0.0 -1,-0.1 28,-0.0 2,-0.1 -0.998 83.2-117.2-130.7 138.7 5.4 23.9 -2.2 59 853 A A + 0 0 36 -2,-0.4 2,-0.3 -43,-0.1 26,-0.2 -0.422 66.1 87.6 -68.0 144.8 1.8 24.2 -1.3 60 854 A G E S- G 0 84C 23 24,-1.9 24,-3.3 -2,-0.1 2,-0.4 -0.966 78.2 -55.4 156.5-166.2 -0.5 21.6 -2.8 61 855 A T E - G 0 83C 85 -2,-0.3 2,-0.3 22,-0.2 22,-0.2 -0.911 48.7-177.2-109.3 135.1 -1.9 18.1 -2.3 62 856 A Y E - G 0 82C 37 20,-2.6 20,-2.9 -2,-0.4 2,-0.6 -0.974 22.3-139.0-131.9 145.1 0.4 15.1 -1.8 63 857 A N E - G 0 81C 83 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.931 20.0-157.1-105.1 119.2 -0.1 11.4 -1.4 64 858 A V E - G 0 80C 0 16,-3.0 16,-2.8 -2,-0.6 2,-0.5 -0.783 4.4-154.0 -89.9 134.4 2.2 9.9 1.2 65 859 A T E -EG 40 79C 44 -25,-2.9 -25,-2.3 -2,-0.4 2,-0.5 -0.960 6.5-166.4-113.7 127.2 2.8 6.2 0.9 66 860 A L E -EG 39 78C 0 12,-2.2 12,-1.8 -2,-0.5 2,-0.5 -0.952 6.0-168.7-103.1 130.1 3.8 4.1 4.0 67 861 A K E -EG 38 77C 94 -29,-2.8 -29,-3.1 -2,-0.5 2,-0.4 -0.985 3.9-166.4-119.0 118.9 5.2 0.6 3.2 68 862 A V E -EG 37 76C 0 8,-2.6 8,-1.8 -2,-0.5 2,-0.4 -0.847 2.4-161.4-105.1 144.1 5.6 -1.8 6.1 69 863 A T E -EG 36 75C 23 -33,-1.9 -34,-2.6 -2,-0.4 -33,-1.1 -0.987 10.1-144.8-124.2 131.3 7.5 -5.0 5.9 70 864 A D E > -E 34 0C 2 4,-2.6 3,-1.6 -2,-0.4 -36,-0.2 -0.257 37.2 -89.7 -88.4-179.6 7.1 -7.9 8.4 71 865 A D T 3 S+ 0 0 87 -38,-1.2 -37,-0.1 1,-0.3 -1,-0.1 0.583 127.4 51.0 -70.8 -9.5 9.7 -10.3 9.7 72 866 A K T 3 S- 0 0 104 -39,-0.1 -1,-0.3 2,-0.1 -69,-0.0 0.467 121.3-104.2 -98.5 -6.9 9.1 -12.7 6.8 73 867 A G S < S+ 0 0 51 -3,-1.6 2,-0.2 1,-0.3 -2,-0.1 0.487 72.2 143.1 93.6 5.2 9.5 -10.0 4.2 74 868 A A - 0 0 26 -72,-0.1 -4,-2.6 1,-0.0 -1,-0.3 -0.563 34.1-153.9 -78.1 146.0 5.8 -9.6 3.3 75 869 A T E + G 0 69C 66 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.824 19.5 178.0-125.7 158.1 4.8 -6.0 2.6 76 870 A A E - G 0 68C 22 -8,-1.8 -8,-2.6 -2,-0.3 2,-0.3 -0.981 11.7-154.3-153.3 156.9 1.8 -3.8 2.7 77 871 A T E - G 0 67C 77 -2,-0.3 2,-0.3 -10,-0.2 -71,-0.3 -0.868 9.3-160.5-131.8 160.7 1.1 -0.1 1.9 78 872 A E E - G 0 66C 55 -12,-1.8 -12,-2.2 -2,-0.3 2,-0.5 -0.983 12.5-149.2-135.4 139.9 -1.2 2.8 2.7 79 873 A S E - G 0 65C 80 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.957 20.8-174.9-106.2 122.2 -1.7 5.9 0.5 80 874 A F E - G 0 64C 33 -16,-2.8 -16,-3.0 -2,-0.5 2,-0.4 -0.967 16.6-137.6-126.1 122.7 -2.6 9.0 2.8 81 875 A T E - G 0 63C 77 -2,-0.4 2,-0.4 -18,-0.2 -18,-0.2 -0.688 19.8-174.4 -89.6 132.3 -3.5 12.4 1.4 82 876 A I E - G 0 62C 0 -20,-2.9 -20,-2.6 -2,-0.4 2,-0.5 -0.975 15.2-146.3-122.9 138.3 -2.0 15.6 3.0 83 877 A E E -dG 13 61C 66 -71,-2.5 -69,-2.6 -2,-0.4 2,-0.6 -0.881 11.0-161.3 -99.2 127.4 -2.9 19.1 2.1 84 878 A I E -dG 14 60C 1 -24,-3.3 -24,-1.9 -2,-0.5 2,-0.3 -0.952 12.0-164.4-111.7 118.8 -0.0 21.6 2.4 85 879 A K E d 15 0C 95 -71,-2.9 -69,-2.4 -2,-0.6 -72,-0.0 -0.712 360.0 360.0-101.4 152.2 -1.2 25.3 2.6 86 880 A N 0 0 182 -2,-0.3 -1,-0.1 -71,-0.2 -28,-0.0 -0.369 360.0 360.0 -66.7 360.0 0.8 28.5 2.1