==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-03 1NQJ . COMPND 2 MOLECULE: CLASS 1 COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM HISTOLYTICUM; . AUTHOR J.J.WILSON,O.MATSUSHITA,A.OKABE,J.SAKON . 210 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 45.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 28 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.8 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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 2 0 2 2 0 6 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 0 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 1 909 A A 0 0 84 0, 0.0 2,-0.6 0, 0.0 23,-0.3 0.000 360.0 360.0 360.0 143.5 29.3 20.5 -17.6 2 910 A T E -a 24 0A 80 21,-2.9 23,-1.9 1,-0.0 2,-0.4 -0.759 360.0-127.9 -79.3 122.9 25.9 19.7 -19.1 3 911 A V E -a 25 0A 93 -2,-0.6 23,-0.2 21,-0.2 3,-0.1 -0.605 10.8-151.2 -77.9 129.8 26.4 19.6 -22.8 4 912 A I - 0 0 9 21,-2.9 23,-0.4 -2,-0.4 3,-0.0 -0.895 13.6-166.2 -93.5 106.1 24.0 21.7 -24.8 5 913 A P + 0 0 100 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.708 59.6 15.0 -82.3 -18.5 23.9 19.7 -28.0 6 914 A N S S- 0 0 85 3,-0.1 3,-0.3 -3,-0.1 89,-0.3 -0.993 74.1-106.5-149.5 175.5 22.3 22.2 -30.3 7 915 A F S S+ 0 0 54 -2,-0.3 89,-0.2 1,-0.2 3,-0.1 -0.194 90.4 32.4 -89.7 169.7 21.4 25.8 -30.7 8 916 A N S S+ 0 0 72 87,-2.0 2,-0.4 1,-0.1 -1,-0.2 0.799 92.8 120.4 50.9 41.2 18.0 27.6 -30.5 9 917 A T - 0 0 60 -3,-0.3 86,-0.5 86,-0.3 2,-0.3 -0.994 62.7-116.3-139.0 134.2 16.8 25.1 -27.9 10 918 A T - 0 0 56 -2,-0.4 2,-0.3 84,-0.1 84,-0.2 -0.567 22.3-170.6 -82.5 129.8 15.6 25.5 -24.3 11 919 A M E -E 93 0B 35 82,-2.8 82,-2.4 -2,-0.3 2,-0.4 -0.822 15.7-141.3-101.3 144.9 17.5 24.0 -21.2 12 920 A Q E +E 92 0B 124 -2,-0.3 2,-0.3 80,-0.2 80,-0.2 -0.934 24.1 175.7-110.1 134.3 15.8 24.0 -17.7 13 921 A G E -E 91 0B 11 78,-2.6 78,-2.4 -2,-0.4 2,-0.4 -0.926 17.8-151.5-136.9 169.2 17.8 24.7 -14.6 14 922 A S E -E 90 0B 45 -2,-0.3 76,-0.2 76,-0.2 2,-0.1 -0.998 10.6-179.1-143.8 131.8 17.3 25.1 -10.9 15 923 A L E +E 89 0B 0 74,-3.0 74,-1.1 -2,-0.4 2,-0.4 -0.551 26.4 155.3-132.6 66.6 19.3 27.0 -8.3 16 924 A L > - 0 0 91 72,-0.2 3,-2.1 -2,-0.1 72,-0.1 -0.795 60.3 -39.0 -98.7 136.2 17.6 26.4 -5.0 17 925 A G T 3 S+ 0 0 47 -2,-0.4 72,-0.1 1,-0.3 0, 0.0 -0.343 134.5 8.6 60.4-125.9 19.3 26.7 -1.6 18 926 A D T 3 S+ 0 0 154 -2,-0.1 2,-1.0 2,-0.1 -1,-0.3 0.636 108.1 95.3 -62.5 -20.1 22.8 25.3 -1.7 19 927 A D < + 0 0 90 -3,-2.1 3,-0.1 1,-0.2 -1,-0.0 -0.692 41.7 148.1 -79.1 102.2 22.7 25.0 -5.6 20 928 A S + 0 0 6 -2,-1.0 64,-2.2 1,-0.2 2,-0.4 0.541 55.1 44.4-112.4 -13.3 24.3 28.2 -6.7 21 929 A R E - B 0 83A 64 62,-0.2 2,-0.4 -3,-0.2 62,-0.2 -0.999 53.3-170.0-140.0 135.2 26.0 27.3 -9.9 22 930 A D E - B 0 82A 33 60,-2.8 60,-2.8 -2,-0.4 2,-0.4 -0.985 17.7-146.9-122.8 139.7 25.0 25.3 -13.0 23 931 A Y E + B 0 81A 111 -2,-0.4 -21,-2.9 58,-0.2 2,-0.3 -0.893 20.4 169.5-113.8 133.0 27.6 24.3 -15.6 24 932 A Y E -aB 2 80A 11 56,-2.3 56,-2.5 -2,-0.4 2,-0.3 -0.898 11.2-165.1-131.6 162.4 27.1 24.0 -19.4 25 933 A S E +aB 3 79A 4 -23,-1.9 -21,-2.9 -2,-0.3 2,-0.3 -0.980 6.8 176.5-141.9 158.7 29.2 23.6 -22.4 26 934 A F E - B 0 78A 4 52,-2.1 52,-2.9 -2,-0.3 2,-0.4 -0.977 21.7-128.4-153.4 161.5 28.7 23.9 -26.2 27 935 A E E - B 0 77A 79 -23,-0.4 2,-0.5 -2,-0.3 50,-0.2 -0.944 9.1-153.5-116.1 134.3 30.7 23.7 -29.4 28 936 A V E + B 0 76A 1 48,-2.9 48,-2.2 -2,-0.4 3,-0.1 -0.918 15.8 173.4-100.4 126.1 30.9 26.2 -32.2 29 937 A K S S+ 0 0 171 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.642 71.0 36.3-104.7 -24.3 31.8 24.7 -35.6 30 938 A E S S- 0 0 158 44,-0.1 -1,-0.3 46,-0.1 43,-0.1 -0.998 92.8-107.4-135.5 130.0 31.3 27.8 -37.7 31 939 A E + 0 0 86 -2,-0.4 2,-0.3 -3,-0.1 43,-0.2 -0.193 62.6 106.4 -55.6 138.8 32.1 31.3 -36.6 32 940 A G E -F 73 0B 15 41,-2.1 41,-2.6 39,-0.1 2,-0.3 -0.937 65.0 -53.5 166.0 174.6 29.3 33.6 -35.9 33 941 A E E -F 72 0B 107 -2,-0.3 2,-0.4 39,-0.3 39,-0.3 -0.519 41.8-167.1 -71.8 131.3 27.1 35.5 -33.4 34 942 A V E -F 71 0B 0 37,-2.7 37,-2.3 -2,-0.3 2,-0.5 -0.914 9.7-152.3-113.8 147.4 25.4 33.6 -30.6 35 943 A N E -FG 70 96B 43 61,-2.4 61,-3.0 -2,-0.4 2,-0.6 -0.968 9.9-161.4-119.0 108.2 22.7 35.0 -28.5 36 944 A I E -FG 69 95B 0 33,-2.4 33,-1.7 -2,-0.5 2,-0.5 -0.864 12.6-175.1 -95.9 120.3 22.6 33.5 -25.0 37 945 A E E -FG 68 94B 32 57,-2.8 57,-2.5 -2,-0.6 2,-0.5 -0.979 13.0-172.9-127.2 120.1 19.3 34.1 -23.3 38 946 A L E -FG 67 93B 0 29,-2.6 29,-2.7 -2,-0.5 2,-0.5 -0.927 8.4-163.4-104.7 131.3 18.4 33.2 -19.7 39 947 A D E -FG 66 92B 26 53,-2.7 53,-2.3 -2,-0.5 27,-0.2 -0.968 17.8-132.3-118.0 120.9 14.7 33.6 -18.7 40 948 A K E - G 0 91B 23 25,-3.1 51,-0.3 -2,-0.5 3,-0.1 -0.505 16.2-169.6 -70.7 136.1 14.0 33.6 -15.0 41 949 A K S S+ 0 0 107 49,-2.8 2,-0.3 -2,-0.2 50,-0.2 0.433 81.0 27.0-101.6 -2.9 11.1 31.4 -13.9 42 950 A D S S- 0 0 75 48,-0.7 2,-0.7 23,-0.1 -1,-0.2 -0.960 96.1 -97.5-147.5 154.9 11.2 33.0 -10.4 43 951 A E S S+ 0 0 163 -2,-0.3 45,-0.3 -3,-0.1 2,-0.3 -0.684 71.5 114.0 -79.6 114.8 12.4 36.4 -9.2 44 952 A F S S- 0 0 9 -2,-0.7 2,-0.9 43,-0.1 43,-0.2 -0.955 72.9 -81.0-166.2 174.1 16.0 36.2 -7.9 45 953 A G E +C 86 0A 2 41,-2.2 40,-2.7 -2,-0.3 41,-1.5 -0.791 63.1 146.4 -94.4 101.6 19.5 37.4 -8.7 46 954 A V E +C 84 0A 0 -2,-0.9 38,-0.2 38,-0.3 2,-0.2 -0.988 9.3 150.3-136.5 144.3 20.9 35.1 -11.5 47 955 A T E -C 83 0A 0 36,-2.5 36,-2.4 -2,-0.3 2,-0.3 -0.792 27.6-124.7-153.8-167.7 23.3 35.7 -14.4 48 956 A W E -C 82 0A 0 34,-0.2 12,-2.2 -2,-0.2 2,-0.4 -0.989 3.8-151.0-152.2 160.5 25.8 33.9 -16.4 49 957 A T E -CD 81 59A 0 32,-2.3 32,-2.8 -2,-0.3 2,-0.4 -0.995 10.7-157.4-138.7 127.4 29.4 34.0 -17.6 50 958 A L E +CD 80 58A 3 8,-2.9 8,-1.9 -2,-0.4 30,-0.2 -0.879 16.2 171.0-105.3 132.1 30.8 32.5 -20.8 51 959 A H E -C 79 0A 21 28,-2.6 28,-2.8 -2,-0.4 6,-0.1 -0.999 29.4-118.8-140.8 144.3 34.5 31.6 -21.3 52 960 A P E -C 78 0A 37 0, 0.0 26,-0.2 0, 0.0 24,-0.0 -0.455 12.4-133.9 -76.7 152.4 36.2 29.7 -24.0 53 961 A E 0 0 111 24,-3.0 25,-0.1 -2,-0.1 23,-0.0 0.889 360.0 360.0 -63.5 -41.0 38.1 26.5 -23.5 54 962 A S 0 0 151 23,-0.5 22,-0.0 -3,-0.0 0, 0.0 -0.244 360.0 360.0 -59.9 360.0 41.0 27.8 -25.5 55 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 56 967 A R 0 0 190 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.4 37.7 37.1 -23.5 57 968 A I - 0 0 33 -6,-0.1 2,-0.4 120,-0.1 -6,-0.2 -0.820 360.0-150.1-114.2 156.9 34.8 36.4 -21.3 58 969 A T E -D 50 0A 13 -8,-1.9 -8,-2.9 -2,-0.3 2,-0.4 -0.972 7.2-155.5-127.2 138.7 31.1 37.5 -21.8 59 970 A Y E -D 49 0A 24 -2,-0.4 -10,-0.2 -10,-0.2 2,-0.1 -0.884 22.5-108.9-115.0 147.7 28.5 38.3 -19.2 60 971 A G - 0 0 0 -12,-2.2 2,-0.5 -2,-0.4 9,-0.2 -0.433 27.5-134.2 -66.2 145.6 24.7 38.2 -19.3 61 972 A Q E -H 68 0B 88 7,-2.2 7,-2.2 -2,-0.1 2,-0.6 -0.934 19.5-132.3-105.8 122.5 23.0 41.6 -19.2 62 973 A V E +H 67 0B 46 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.731 33.2 166.4 -85.6 116.8 20.1 41.6 -16.7 63 974 A D E > -H 66 0B 120 3,-3.5 3,-2.1 -2,-0.6 2,-0.4 -0.821 63.2 -78.6-129.4 83.0 16.9 43.1 -18.1 64 975 A G T 3 S- 0 0 57 -2,-0.4 -1,-0.1 1,-0.3 -24,-0.0 -0.419 116.1 -0.6 61.8-117.4 14.2 42.2 -15.7 65 976 A N T 3 S+ 0 0 80 -2,-0.4 -25,-3.1 -3,-0.1 2,-0.4 0.603 126.2 71.4 -77.6 -14.7 13.3 38.6 -16.3 66 977 A K E < -FH 39 63B 89 -3,-2.1 -3,-3.5 -27,-0.2 2,-0.5 -0.876 54.5-172.6-109.3 140.8 15.7 38.1 -19.2 67 978 A V E +FH 38 62B 0 -29,-2.7 -29,-2.6 -2,-0.4 2,-0.3 -0.962 33.5 143.0-130.5 106.9 19.5 37.9 -18.8 68 979 A S E +FH 37 61B 17 -7,-2.2 -7,-2.2 -2,-0.5 2,-0.3 -0.908 25.4 175.0-145.4 164.6 21.1 37.9 -22.2 69 980 A N E -F 36 0B 47 -33,-1.7 -33,-2.4 -2,-0.3 2,-0.4 -0.949 21.7-131.9-167.2 162.3 23.9 39.0 -24.5 70 981 A K E +F 35 0B 114 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.930 27.1 168.1-118.2 139.9 25.2 38.5 -28.0 71 982 A V E -F 34 0B 13 -37,-2.3 -37,-2.7 -2,-0.4 2,-0.6 -0.979 35.6-121.6-154.9 139.1 28.8 37.7 -29.0 72 983 A K E -F 33 0B 126 -2,-0.3 2,-0.4 -39,-0.3 -39,-0.3 -0.792 37.0-163.0 -81.7 117.3 30.7 36.6 -32.1 73 984 A L E -F 32 0B 2 -41,-2.6 -41,-2.1 -2,-0.6 3,-0.1 -0.881 12.6-140.8-111.2 137.2 32.4 33.3 -31.4 74 985 A R - 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