==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BLOOD COAGULATION INHIBITOR 13-APR-93 2ECH . COMPND 2 MOLECULE: ECHISTATIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ECHIS CARINATUS; . AUTHOR J.T.PELTON,R.A.ATKINSON,V.SAUDEK . 49 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 22 44.9 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 . 5 10.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 4.1 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 18.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 1 2.0 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+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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 202 0, 0.0 2,-0.5 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0 151.0 13.6 10.1 5.7 2 2 A a - 0 0 60 10,-0.1 2,-1.6 2,-0.0 10,-0.1 -0.892 360.0-169.9-116.1 93.8 11.1 11.2 3.0 3 3 A E - 0 0 46 8,-1.0 2,-1.5 -2,-0.5 5,-0.0 -0.665 16.3-158.2 -85.3 79.9 10.1 7.9 1.2 4 4 A S + 0 0 81 -2,-1.6 7,-0.1 2,-0.1 -1,-0.1 -0.519 49.0 121.4 -77.8 86.0 8.3 9.8 -1.5 5 5 A G > - 0 0 23 -2,-1.5 2,-1.3 33,-0.0 3,-0.6 -0.755 66.3-132.0-142.3 86.6 5.8 7.3 -3.0 6 6 A P T 3 S+ 0 0 100 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 0.211 101.3 88.3 -57.1 14.6 2.4 9.2 -2.5 7 7 A b T 3 S+ 0 0 9 -2,-1.3 7,-0.9 30,-0.1 25,-0.2 0.310 97.2 56.1 -58.6 -6.2 1.0 6.1 -1.1 8 8 A c B < S-A 13 0A 3 -3,-0.6 5,-0.2 1,-0.2 7,-0.1 -0.245 112.7-107.0 -90.8-163.9 2.7 8.3 1.5 9 9 A R S S- 0 0 139 3,-1.5 -1,-0.2 -2,-0.1 4,-0.1 0.827 82.1 -58.1 -77.7 -84.2 1.6 11.9 1.9 10 10 A N S S- 0 0 113 -3,-0.1 3,-0.1 -5,-0.1 -3,-0.1 0.372 129.0 -11.1-121.9 -26.1 4.7 13.4 0.3 11 11 A a S S+ 0 0 28 -7,-0.1 -8,-1.0 1,-0.1 2,-0.3 0.344 117.2 90.8-150.8 -27.0 7.1 11.8 2.8 12 12 A K S S- 0 0 130 -10,-0.1 -3,-1.5 1,-0.1 -1,-0.1 -0.763 78.0-107.4-109.1 135.0 4.9 10.4 5.6 13 13 A F B -A 8 0A 61 -2,-0.3 -5,-0.2 21,-0.3 24,-0.1 -0.318 34.7-122.2 -65.2 134.7 3.4 6.9 5.8 14 14 A L - 0 0 28 -7,-0.9 2,-1.7 22,-0.2 20,-0.4 -0.017 50.3 -62.4 -67.8 177.4 -0.4 6.5 5.2 15 15 A K S S- 0 0 137 1,-0.2 -1,-0.1 2,-0.1 18,-0.1 -0.507 73.4 -95.8 -76.0 80.8 -2.9 5.0 7.6 16 16 A E S S+ 0 0 146 -2,-1.7 17,-0.3 1,-0.2 -1,-0.2 0.500 119.3 37.8 0.2 91.3 -1.5 1.3 7.8 17 17 A G S S+ 0 0 45 15,-2.3 2,-0.4 1,-0.2 -1,-0.2 0.685 80.3 140.7 107.5 49.0 -3.8 -0.3 5.2 18 18 A T E -B 32 0B 36 14,-1.2 14,-2.6 -11,-0.1 -1,-0.2 -0.931 50.2-121.9-126.2 108.5 -4.0 2.5 2.5 19 19 A I E -B 31 0B 34 -2,-0.4 12,-0.3 12,-0.3 3,-0.1 -0.130 24.7-176.2 -56.7 130.4 -3.9 1.4 -1.1 20 20 A d S S+ 0 0 55 10,-2.2 2,-0.4 1,-0.3 11,-0.1 0.937 81.3 16.9 -71.8 -69.3 -1.2 2.6 -3.6 21 21 A K S S- 0 0 121 9,-0.2 2,-2.0 18,-0.1 -1,-0.3 -0.957 77.0-128.5-122.2 128.1 -2.6 0.8 -6.7 22 22 A R + 0 0 192 -2,-0.4 2,-0.1 7,-0.2 6,-0.0 -0.437 44.6 168.5 -82.3 63.8 -6.2 -0.6 -7.0 23 23 A A - 0 0 14 -2,-2.0 6,-0.5 2,-0.0 2,-0.3 -0.460 8.3-178.9 -77.6 149.7 -5.2 -4.1 -8.1 24 24 A R + 0 0 152 4,-0.2 2,-0.5 -2,-0.1 3,-0.3 -0.989 48.7 38.4-152.9 148.8 -7.8 -7.0 -8.2 25 25 A G S S+ 0 0 48 -2,-0.3 21,-0.3 1,-0.3 3,-0.1 -0.576 129.4 2.1 111.9 -63.8 -7.9 -10.7 -9.1 26 26 A D S S+ 0 0 112 -2,-0.5 2,-0.7 1,-0.4 20,-0.3 0.688 131.6 48.8-115.8 -69.9 -4.6 -12.0 -7.7 27 27 A D S S- 0 0 18 -3,-0.3 2,-1.4 18,-0.1 -1,-0.4 -0.725 79.1-150.8 -76.3 111.5 -2.8 -9.0 -6.1 28 28 A M - 0 0 12 14,-1.0 -4,-0.2 -2,-0.7 -1,-0.1 -0.625 54.6 -63.2 -94.0 75.3 -5.5 -7.6 -3.9 29 29 A D - 0 0 2 -2,-1.4 13,-0.5 -6,-0.5 -7,-0.2 -0.133 55.8-101.3 68.8-169.1 -4.5 -3.9 -3.9 30 30 A D - 0 0 2 -9,-0.2 -10,-2.2 11,-0.1 -9,-0.2 -0.501 37.0-163.2-156.4 75.6 -1.2 -2.5 -2.5 31 31 A Y E -B 19 0B 34 -12,-0.3 2,-0.3 -11,-0.1 -12,-0.3 -0.369 20.5-126.2 -78.3 136.9 -1.4 -0.8 0.9 32 32 A b E -B 18 0B 0 -14,-2.6 -15,-2.3 -25,-0.2 -14,-1.2 -0.649 24.4-151.6 -75.0 133.6 1.2 1.6 2.6 33 33 A N - 0 0 56 3,-1.0 4,-0.1 -2,-0.3 -18,-0.1 0.028 36.0-102.9-107.1 17.0 1.9 0.1 6.0 34 34 A G S S+ 0 0 35 -20,-0.4 -21,-0.3 2,-0.3 3,-0.1 0.152 121.2 56.3 75.2 -21.7 2.8 3.0 8.4 35 35 A K S S+ 0 0 170 1,-0.3 2,-0.3 0, 0.0 -1,-0.1 0.760 107.9 29.9-106.4 -44.2 6.4 1.8 7.8 36 36 A T - 0 0 44 -22,-0.1 -3,-1.0 -29,-0.1 -2,-0.3 -0.932 38.9-169.9-133.3 151.1 7.0 1.8 4.0 37 37 A c + 0 0 6 -2,-0.3 -29,-0.2 -5,-0.2 -30,-0.1 -0.422 52.7 119.7-132.7 51.1 6.0 3.6 0.8 38 38 A D S S- 0 0 131 -31,-0.1 3,-0.1 3,-0.0 -1,-0.1 -0.292 101.6 -95.2 -98.5 40.2 7.6 1.3 -1.8 39 39 A d - 0 0 50 -34,-0.3 -8,-0.1 1,-0.1 -2,-0.1 0.934 61.2-127.3 41.0 61.8 4.0 0.9 -3.0 40 40 A P - 0 0 13 0, 0.0 -20,-0.2 0, 0.0 -1,-0.1 0.012 14.1-115.7 -61.6 143.4 4.0 -2.2 -0.8 41 41 A R - 0 0 174 -3,-0.1 -11,-0.1 -11,-0.1 -3,-0.0 -0.404 22.4-171.8 -75.4 143.2 3.0 -5.6 -2.2 42 42 A N - 0 0 21 -13,-0.5 -14,-1.0 1,-0.2 7,-0.1 -0.838 6.2-178.9-135.3 89.0 -0.1 -7.6 -0.9 43 43 A P + 0 0 69 0, 0.0 -15,-0.7 0, 0.0 3,-0.2 0.976 23.1 146.0 -50.5 -80.6 -0.1 -11.1 -2.4 44 44 A H - 0 0 95 1,-0.2 2,-1.2 -17,-0.1 5,-0.1 0.778 28.6-171.2 33.3 54.8 -3.3 -12.8 -1.0 45 45 A K S S+ 0 0 120 1,-0.1 -1,-0.2 -18,-0.1 -19,-0.1 -0.590 71.8 17.5 -70.9 94.4 -4.0 -14.8 -4.2 46 46 A G S S+ 0 0 59 -2,-1.2 -1,-0.1 -20,-0.3 2,-0.1 -0.716 110.5 64.1 143.6 -84.3 -7.4 -16.2 -3.3 47 47 A P S S- 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -19,-0.1 -0.449 88.6-102.2 -75.0 143.9 -9.2 -14.2 -0.5 48 48 A A 0 0 73 1,-0.2 -4,-0.1 -2,-0.1 -24,-0.0 -0.327 360.0 360.0 -67.0 144.6 -10.1 -10.5 -1.0 49 49 A T 0 0 96 -7,-0.1 -1,-0.2 -5,-0.1 -5,-0.1 0.901 360.0 360.0 50.7 360.0 -7.9 -7.7 0.5