==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER KUNITZ INHIBITOR 15-JAN-97 2KNT . COMPND 2 MOLECULE: COLLAGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.MERIGEAU,B.ARNOUX,A.DUCRUIX . 58 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4012.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 27 46.6 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 . 12 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.7 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 . 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 . 3 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.7 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 1 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 . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A E 0 0 147 0, 0.0 54,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-103.4 -6.0 8.1 17.7 2 2 A T > - 0 0 70 52,-0.4 3,-2.3 1,-0.1 4,-0.3 -0.459 360.0-105.1 -66.1 153.8 -5.2 9.7 14.4 3 3 A D G > S+ 0 0 94 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.583 115.1 78.0 -57.8 -17.5 -6.1 7.7 11.2 4 4 A I G > S+ 0 0 45 1,-0.2 3,-1.5 2,-0.2 -1,-0.3 0.898 88.2 58.8 -61.8 -30.9 -2.3 6.9 10.9 5 5 A a G < S+ 0 0 1 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.673 101.7 54.8 -69.2 -14.2 -2.9 4.3 13.7 6 6 A K G < S+ 0 0 135 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.433 80.8 114.1 -99.1 -0.9 -5.5 2.6 11.5 7 7 A L S < S- 0 0 44 -3,-1.5 16,-0.1 -4,-0.3 3,-0.1 -0.328 75.0-101.2 -66.6 149.1 -3.2 2.1 8.5 8 8 A P - 0 0 92 0, 0.0 35,-0.2 0, 0.0 2,-0.2 -0.340 40.6 -90.8 -67.6 153.5 -2.4 -1.6 7.7 9 9 A K - 0 0 94 13,-0.1 2,-0.5 1,-0.1 35,-0.1 -0.442 45.2-166.9 -55.7 132.9 0.9 -3.2 8.7 10 10 A D - 0 0 53 33,-0.3 31,-0.3 -2,-0.2 -1,-0.1 -0.888 18.9-175.1-137.5 103.0 3.3 -2.7 5.8 11 11 A E - 0 0 99 -2,-0.5 25,-2.4 1,-0.2 26,-0.2 0.704 31.9-166.9 -71.2 -15.5 6.5 -4.7 5.7 12 12 A G - 0 0 35 27,-0.3 27,-0.2 23,-0.2 2,-0.2 -0.276 18.2 -83.8 68.7-157.6 7.6 -2.9 2.6 13 13 A T B S+A 38 0A 96 25,-2.3 25,-2.1 3,-0.0 3,-0.2 -0.696 73.4 79.7-141.2-175.1 10.5 -4.0 0.5 14 14 A b S S- 0 0 47 -2,-0.2 23,-0.1 23,-0.2 24,-0.1 -0.107 73.4-103.4 83.3 164.0 14.3 -3.7 0.4 15 15 A R S S+ 0 0 220 22,-0.1 2,-0.9 1,-0.1 22,-0.1 -0.080 84.7 107.1-122.1 31.5 16.6 -5.8 2.5 16 16 A D - 0 0 112 20,-2.6 2,-0.1 -3,-0.2 19,-0.1 -0.582 63.2-161.4-103.7 67.6 17.7 -3.4 5.3 17 17 A F + 0 0 104 -2,-0.9 2,-0.4 17,-0.1 19,-0.2 -0.364 19.2 169.4 -65.4 128.8 15.6 -5.2 7.8 18 18 A I E -B 35 0B 78 17,-2.2 17,-2.6 -2,-0.1 2,-0.4 -0.999 34.7-119.5-138.0 135.0 14.7 -3.5 11.0 19 19 A L E +B 34 0B 74 -2,-0.4 2,-0.2 15,-0.2 15,-0.2 -0.626 42.3 169.7 -79.0 127.5 12.2 -4.6 13.7 20 20 A K E -B 33 0B 49 13,-2.8 13,-2.5 -2,-0.4 2,-0.4 -0.782 27.4-123.2-125.9 173.8 9.4 -2.1 14.1 21 21 A W E -BC 32 45B 26 24,-2.3 24,-2.1 -2,-0.2 2,-0.3 -0.946 21.1-173.6-124.2 147.4 6.1 -1.8 15.9 22 22 A Y E -B 31 0B 38 9,-2.3 9,-2.6 -2,-0.4 2,-0.4 -0.952 27.5-111.8-131.9 154.9 2.6 -1.1 14.5 23 23 A Y E -B 30 0B 14 -2,-0.3 7,-0.2 7,-0.2 3,-0.1 -0.751 21.4-155.9 -89.8 131.0 -0.8 -0.5 16.1 24 24 A D E >>> -B 29 0B 31 5,-2.8 4,-1.4 -2,-0.4 5,-1.4 -0.904 2.3-163.6-102.9 109.2 -3.4 -3.1 15.5 25 25 A P T 345S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.774 87.1 61.0 -66.2 -21.1 -6.9 -1.6 16.0 26 26 A N T 345S+ 0 0 148 1,-0.2 -3,-0.0 3,-0.1 -2,-0.0 0.814 117.8 26.9 -75.5 -28.1 -8.5 -5.0 16.3 27 27 A T T <45S- 0 0 81 -3,-0.9 -1,-0.2 2,-0.3 3,-0.1 0.471 101.1-131.3-104.9 -6.9 -6.5 -5.9 19.4 28 28 A K T <5S+ 0 0 136 -4,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.865 75.1 90.2 60.0 36.9 -6.0 -2.3 20.5 29 29 A S E S- 0 0 53 -26,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.984 72.5-122.7-144.3 157.3 9.6 1.0 20.2 48 48 A Q H > S+ 0 0 94 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.892 112.2 58.1 -62.1 -34.9 6.4 -0.6 21.7 49 49 A K H > S+ 0 0 148 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 106.8 45.8 -66.8 -43.8 6.3 2.3 24.2 50 50 A E H > S+ 0 0 90 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.943 112.3 51.4 -66.5 -42.5 6.1 5.0 21.5 51 51 A c H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.4 0.928 111.0 48.5 -58.2 -44.8 3.5 3.1 19.5 52 52 A E H X S+ 0 0 62 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.909 110.2 50.8 -66.7 -36.0 1.3 2.7 22.6 53 53 A K H < S+ 0 0 144 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.924 117.8 38.1 -64.7 -45.0 1.6 6.4 23.5 54 54 A V H < S+ 0 0 42 -4,-2.2 -52,-0.4 -5,-0.2 -1,-0.2 0.878 132.4 20.2 -75.5 -30.6 0.6 7.6 20.1 55 55 A a H < S+ 0 0 2 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.666 91.2 96.0-116.2 -33.9 -2.0 5.0 19.2 56 56 A A < - 0 0 16 -4,-1.7 -27,-0.1 -5,-0.4 -28,-0.0 -0.432 69.7-122.5 -78.0 148.8 -3.6 3.1 22.2 57 57 A P 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -28,-0.0 0.910 360.0 360.0 -61.5 -48.6 -6.8 4.1 23.7 58 58 A V 0 0 133 -3,-0.0 0, 0.0 0, 0.0 0, 0.0 0.420 360.0 360.0 -67.3 360.0 -5.8 4.6 27.4