==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEASE) 18-JUL-91 2PK4 . COMPND 2 MOLECULE: HUMAN PLASMINOGEN KRINGLE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.TULINSKY,T.-P.WU . 80 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4664.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 30 37.5 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 15.0 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 . 1 1.2 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.5 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 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 . 4 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 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 Q 0 0 230 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.3 20.7 6.8 17.4 2 0 A D + 0 0 76 11,-0.1 76,-0.5 9,-0.0 2,-0.2 -0.880 360.0 111.0-113.9 87.3 17.4 5.9 15.7 3 1 A a - 0 0 19 -2,-0.7 76,-0.3 74,-0.2 2,-0.3 -0.663 56.4-127.5-137.3-174.2 18.5 5.8 12.0 4 2 A Y - 0 0 41 74,-2.4 2,-0.5 -2,-0.2 -2,-0.0 -0.863 14.1-118.1-141.7 172.1 18.8 2.8 9.6 5 3 A H - 0 0 132 -2,-0.3 2,-1.3 0, 0.0 3,-0.2 -0.669 68.1 -53.7-122.4 89.7 21.6 1.3 7.3 6 4 A G S S+ 0 0 38 -2,-0.5 -2,-0.0 73,-0.3 73,-0.0 -0.639 134.0 10.6 86.4 -86.9 20.9 1.2 3.5 7 5 A D S S- 0 0 62 -2,-1.3 -1,-0.2 53,-0.1 50,-0.0 0.551 88.3-138.4-102.6 -8.8 17.6 -0.6 3.2 8 6 A G + 0 0 0 -3,-0.2 3,-0.5 52,-0.2 -2,-0.1 0.602 65.8 125.5 66.3 17.1 16.6 -0.6 6.8 9 7 A Q S S+ 0 0 83 1,-0.2 45,-0.3 -4,-0.2 -1,-0.1 0.743 75.3 62.2 -71.2 -20.9 15.2 -4.2 6.9 10 8 A S S S+ 0 0 83 -5,-0.1 -1,-0.2 43,-0.1 -6,-0.0 0.738 82.6 112.4 -70.4 -29.7 17.7 -4.4 9.8 11 9 A Y + 0 0 16 -3,-0.5 43,-0.2 1,-0.1 -7,-0.1 -0.098 28.7 162.7 -60.1 146.2 15.9 -1.8 11.8 12 10 A R + 0 0 111 41,-0.1 -1,-0.1 0, 0.0 41,-0.1 0.126 33.9 129.1-150.4 10.6 14.1 -2.5 15.0 13 11 A G - 0 0 19 -10,-0.2 -11,-0.1 1,-0.1 38,-0.1 -0.070 65.0-116.7 -62.6 173.8 13.8 1.0 16.5 14 12 A T + 0 0 92 37,-0.1 2,-0.4 36,-0.0 -1,-0.1 -0.310 61.5 137.6-117.3 39.4 10.4 2.3 17.8 15 13 A S + 0 0 23 37,-0.2 37,-2.5 1,-0.1 62,-0.1 -0.798 21.6 171.4 -82.1 125.8 10.0 5.2 15.4 16 14 A S + 0 0 25 -2,-0.4 8,-1.9 35,-0.3 2,-0.4 -0.075 37.5 102.3-139.8 35.7 6.3 5.0 14.4 17 15 A T B -A 23 0A 60 6,-0.2 59,-2.4 1,-0.0 6,-0.2 -0.965 63.7-119.0-135.7 139.5 5.8 8.1 12.5 18 16 A T B > -B 75 0B 0 4,-3.2 3,-1.2 -2,-0.4 57,-0.2 -0.017 28.8-107.3 -63.8 167.3 5.5 8.9 8.8 19 17 A T T 3 S+ 0 0 77 55,-2.0 56,-0.1 1,-0.3 -1,-0.1 0.838 124.2 47.2 -68.3 -28.6 7.7 11.0 6.6 20 18 A T T 3 S- 0 0 63 54,-0.3 -1,-0.3 2,-0.1 55,-0.1 0.208 128.3 -97.5-101.5 10.9 4.8 13.6 6.6 21 19 A G S < S+ 0 0 60 -3,-1.2 2,-0.4 1,-0.3 -2,-0.1 0.714 75.9 142.9 77.3 26.4 4.3 13.4 10.4 22 20 A K - 0 0 55 1,-0.1 -4,-3.2 45,-0.0 -1,-0.3 -0.798 57.2-103.5 -99.0 146.9 1.4 10.9 10.4 23 21 A K B -A 17 0A 141 -2,-0.4 43,-1.5 -6,-0.2 2,-0.3 -0.267 39.6-117.6 -60.6 140.9 0.9 8.2 13.0 24 22 A b B -C 65 0C 1 -8,-1.9 41,-0.3 26,-0.2 2,-0.3 -0.744 25.8-118.6 -83.3 135.7 1.8 4.7 11.7 25 23 A Q - 0 0 1 39,-3.7 39,-0.4 -2,-0.3 2,-0.1 -0.683 37.2-102.2 -70.6 146.9 -1.1 2.2 11.5 26 24 A S > - 0 0 52 -2,-0.3 3,-1.2 5,-0.2 24,-0.3 -0.389 30.2-122.3 -63.6 136.9 -0.4 -0.9 13.7 27 25 A W T 3 S+ 0 0 1 22,-1.8 -1,-0.1 1,-0.3 23,-0.1 0.687 107.2 40.0 -51.6 -38.8 0.7 -3.8 11.6 28 26 A S T 3 S+ 0 0 85 21,-0.3 -1,-0.3 10,-0.1 2,-0.2 0.578 91.5 99.2 -93.6 -9.9 -2.0 -6.2 12.7 29 27 A S < - 0 0 35 -3,-1.2 4,-0.1 1,-0.1 6,-0.1 -0.597 56.9-160.1 -75.6 139.8 -4.9 -3.7 12.7 30 28 A M + 0 0 83 -2,-0.2 -1,-0.1 4,-0.1 -3,-0.1 0.127 55.3 118.9-107.0 20.1 -7.0 -3.9 9.5 31 29 A T S S- 0 0 101 1,-0.2 -5,-0.2 -5,-0.2 2,-0.1 -0.994 81.6 -0.0-133.6 124.3 -8.3 -0.5 10.2 32 30 A P S S+ 0 0 49 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.983 142.6 30.1 -74.1 -26.2 -7.9 1.9 8.5 33 31 A H - 0 0 14 -4,-0.1 2,-0.4 38,-0.1 31,-0.1 -0.892 68.1-151.9-104.5 124.1 -5.9 -0.1 5.9 34 32 A R + 0 0 64 -2,-0.5 2,-0.3 2,-0.0 -4,-0.1 -0.769 36.6 148.0 -83.7 141.9 -6.6 -3.8 5.4 35 33 A H - 0 0 21 -2,-0.4 -2,-0.0 -8,-0.1 29,-0.0 -0.956 56.4-117.6-163.8 174.2 -3.4 -5.6 4.2 36 34 A Q S S+ 0 0 144 -2,-0.3 2,-2.1 1,-0.1 5,-0.2 0.242 73.4 114.6-106.2 4.3 -1.3 -8.8 4.3 37 35 A K + 0 0 45 -10,-0.1 -1,-0.1 4,-0.1 19,-0.0 -0.461 47.5 138.1 -78.8 65.7 1.7 -7.4 6.1 38 37 A T >> - 0 0 26 -2,-2.1 4,-2.7 -10,-0.1 3,-2.0 -0.812 69.8-117.7-115.5 150.8 1.3 -9.4 9.2 39 38 A P T 34 S+ 0 0 58 0, 0.0 7,-0.1 0, 0.0 6,-0.1 0.664 118.9 62.7 -53.7 -21.4 3.7 -11.4 11.4 40 39 A E T 34 S+ 0 0 169 2,-0.2 -3,-0.1 1,-0.2 -4,-0.0 0.862 113.0 34.3 -72.0 -36.3 1.7 -14.3 10.3 41 40 A N T <4 S+ 0 0 67 -3,-2.0 -1,-0.2 1,-0.2 -4,-0.1 0.654 132.6 31.2 -86.7 -29.7 2.9 -13.6 6.8 42 41 A Y >X> + 0 0 73 -4,-2.7 3,-0.8 1,-0.1 4,-0.5 -0.565 62.8 169.4-138.6 76.2 6.4 -12.3 7.9 43 42 A P T 345S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.552 81.4 44.8 -63.0 -15.5 7.5 -14.0 11.0 44 43 A N T 345S+ 0 0 149 1,-0.1 -2,-0.0 11,-0.1 0, 0.0 0.674 93.7 81.2 -99.2 -24.6 11.1 -12.6 10.8 45 44 A A T <45S- 0 0 15 -3,-0.8 9,-0.4 -7,-0.1 3,-0.2 0.686 92.5-124.8 -59.7 -29.8 10.2 -8.9 10.0 46 45 A G T <5 + 0 0 21 -4,-0.5 2,-2.7 1,-0.2 5,-0.2 0.856 37.7 177.0 82.5 35.0 9.4 -7.6 13.5 47 46 A L < + 0 0 8 -5,-0.5 2,-0.2 3,-0.1 -1,-0.2 -0.485 27.1 147.0 -79.8 70.0 5.9 -6.5 12.4 48 47 A T > - 0 0 74 -2,-2.7 3,-1.5 -3,-0.2 -21,-0.3 -0.677 56.1 -27.3-109.0 158.1 5.2 -5.4 16.0 49 48 A M T 3 S- 0 0 125 -2,-0.2 -22,-1.8 1,-0.2 -21,-0.3 -0.016 107.7 -56.0 31.3-135.0 3.1 -2.6 17.4 50 49 A N T 3 S+ 0 0 26 -24,-0.3 2,-0.3 -23,-0.1 -1,-0.2 -0.217 90.2 138.2-123.2 34.3 3.0 0.2 14.7 51 50 A Y < - 0 0 54 -3,-1.5 -35,-0.3 -5,-0.2 11,-0.1 -0.590 63.1 -93.2 -82.2 153.6 6.8 0.8 14.3 52 51 A c + 0 0 0 -37,-2.5 2,-0.2 -2,-0.3 11,-0.2 -0.313 58.9 157.1 -59.2 131.6 8.4 1.4 10.9 53 52 A R B -D 62 0D 10 9,-2.3 9,-2.1 7,-0.1 -44,-0.1 -0.863 41.2-127.9-142.9-173.7 9.7 -1.9 9.4 54 53 A N > + 0 0 4 -9,-0.4 3,-0.8 -45,-0.3 9,-0.1 -0.537 37.6 151.5-145.6 78.0 10.7 -3.4 6.0 55 54 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 0.640 76.9 54.9 -73.8 -26.6 8.9 -6.8 5.4 56 55 A D T 3 S- 0 0 59 -3,-0.1 3,-0.1 -11,-0.1 -47,-0.0 0.159 107.4-112.7 -91.5 5.6 9.0 -6.2 1.6 57 56 A A < + 0 0 64 -3,-0.8 -48,-0.0 1,-0.1 -3,-0.0 0.746 62.0 159.6 66.6 22.1 12.7 -5.5 0.7 58 57 A D - 0 0 35 2,-0.1 -49,-0.1 1,-0.1 -1,-0.1 -0.087 58.9 -96.5 -67.2 178.0 11.7 -1.9 -0.1 59 58 A K S S- 0 0 148 1,-0.1 -1,-0.1 -51,-0.1 -50,-0.1 0.643 97.9 -4.9 -73.7 -17.4 14.4 0.8 -0.2 60 60 A G S S- 0 0 3 -52,-0.1 -52,-0.2 -7,-0.1 -2,-0.1 -0.971 90.4 -62.9-167.1 170.8 13.7 1.9 3.4 61 61 A P + 0 0 3 0, 0.0 14,-2.5 0, 0.0 2,-0.3 -0.284 56.0 152.1 -66.2 149.5 11.4 1.5 6.4 62 62 A W E -DE 53 74D 7 -9,-2.1 -9,-2.3 12,-0.3 2,-0.3 -0.905 22.8-153.9-159.9 179.0 7.7 2.4 6.2 63 63 A b E - E 0 73D 0 10,-2.0 10,-1.8 -2,-0.3 -37,-0.1 -0.982 33.1 -90.4-158.5 162.8 4.3 1.7 7.6 64 64 A F E - E 0 72D 7 -39,-0.4 -39,-3.7 -2,-0.3 2,-0.4 -0.350 51.0-123.3 -67.4 153.1 0.6 1.8 6.8 65 65 A T B -C 24 0C 0 6,-2.3 -41,-0.2 5,-0.4 5,-0.1 -0.921 7.3-136.9-105.1 143.2 -1.0 5.1 7.8 66 66 A T S S+ 0 0 63 -43,-1.5 -42,-0.1 -2,-0.4 3,-0.1 0.441 81.7 102.4 -73.2 -0.8 -3.9 5.8 10.1 67 67 A D > - 0 0 53 3,-0.4 3,-1.7 -44,-0.3 -2,-0.2 -0.808 69.6-149.7 -83.0 110.6 -5.0 8.4 7.5 68 68 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.869 98.2 53.1 -51.2 -35.7 -7.8 6.6 5.7 69 69 A S T 3 S+ 0 0 110 1,-0.2 2,-0.7 -3,-0.1 -3,-0.1 0.740 104.7 56.3 -71.6 -27.7 -6.8 8.6 2.7 70 70 A V < - 0 0 45 -3,-1.7 -3,-0.4 1,-0.2 -5,-0.4 -0.837 61.7-173.7-116.7 103.3 -3.1 7.6 2.7 71 71 A R - 0 0 115 -2,-0.7 -6,-2.3 1,-0.2 2,-0.3 0.889 66.0 -4.2 -57.4 -53.4 -2.5 3.9 2.6 72 72 A W E +E 64 0D 102 -8,-0.3 2,-0.3 -48,-0.1 -8,-0.2 -0.999 56.7 177.8-152.8 152.8 1.2 4.0 3.2 73 73 A E E -E 63 0D 25 -10,-1.8 -10,-2.0 -2,-0.3 -3,-0.0 -0.970 35.2 -97.1-145.7 159.6 4.3 6.1 3.5 74 74 A Y E -E 62 0D 66 -2,-0.3 -55,-2.0 -12,-0.2 -54,-0.3 -0.246 50.8-103.3 -73.4 158.5 8.0 6.0 4.2 75 75 A c B -B 18 0B 10 -14,-2.5 -57,-0.3 -57,-0.2 -1,-0.1 -0.410 19.3-114.8 -86.3 164.5 9.2 6.6 7.7 76 76 A N S S+ 0 0 87 -59,-2.4 2,-0.2 -2,-0.1 -58,-0.1 0.180 76.6 124.0 -85.4 30.3 10.7 9.7 9.2 77 77 A L - 0 0 19 -16,-0.2 2,-0.3 -60,-0.1 -74,-0.2 -0.476 52.3-137.6 -90.3 153.0 14.0 7.8 9.8 78 78 A K - 0 0 142 -76,-0.5 -74,-2.4 -2,-0.2 -2,-0.0 -0.818 24.6-109.9-112.6 150.8 17.4 8.7 8.5 79 79 A K 0 0 110 -2,-0.3 -73,-0.3 -76,-0.3 -76,-0.1 0.374 360.0 360.0 -57.6 0.6 20.1 6.6 7.0 80 80 A a 0 0 92 -78,-0.1 -1,-0.1 -75,-0.1 -74,-0.0 0.734 360.0 360.0 81.8 360.0 22.4 6.9 10.1