==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE INHIBITOR (RCMTI-V) 26-OCT-95 1MIT . COMPND 2 MOLECULE: TRYPSIN INHIBITOR V; . SOURCE 2 ORGANISM_SCIENTIFIC: CUCURBITA MAXIMA; . AUTHOR M.CAI,Y.GONG,Y.HUANG,J.LIU,O.PRAKASH,L.WEN,J.J.WEN,J.- . 69 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 53.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 5.8 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 1.4 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 . 8 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 15.9 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 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 0 PARALLEL BRIDGES PER LADDER . 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 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 1AA G 0 0 134 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 165.0 -3.7 -16.0 -7.8 2 1 A S - 0 0 104 1,-0.1 2,-0.6 0, 0.0 0, 0.0 0.299 360.0 -36.1-103.7-128.6 -4.8 -13.2 -10.1 3 2 A S - 0 0 73 64,-0.0 -1,-0.1 6,-0.0 3,-0.1 -0.895 59.0-150.2-104.0 122.3 -6.3 -9.9 -9.1 4 3 A a - 0 0 46 -2,-0.6 64,-0.1 1,-0.2 0, 0.0 -0.245 40.1 -65.1 -81.2 175.6 -8.7 -9.9 -6.1 5 4 A P S S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.209 103.8 31.7 -57.8 148.2 -11.7 -7.6 -5.6 6 5 A G S S- 0 0 36 -3,-0.1 23,-0.2 24,-0.0 22,-0.0 -0.191 118.5 -16.0 90.0 172.4 -10.8 -3.9 -5.2 7 6 A K - 0 0 52 21,-0.6 3,-0.1 1,-0.2 -3,-0.1 -0.242 57.2-169.6 -48.7 125.0 -7.9 -2.0 -6.7 8 7 A S S S+ 0 0 49 1,-0.3 60,-1.8 -5,-0.1 2,-0.3 0.621 70.9 13.8 -94.5 -15.2 -5.5 -4.7 -7.9 9 8 A S - 0 0 66 58,-0.2 58,-0.3 -6,-0.1 -1,-0.3 -0.955 69.4-139.7-159.6 138.9 -2.7 -2.2 -8.6 10 9 A W - 0 0 9 -2,-0.3 15,-0.0 56,-0.3 14,-0.0 -0.598 19.2-124.2 -98.8 163.3 -1.9 1.4 -7.8 11 10 A P - 0 0 84 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.917 69.1 -49.6 -68.3-100.0 -0.4 4.1 -10.1 12 11 A H + 0 0 140 1,-0.1 51,-0.0 53,-0.1 9,-0.0 -0.617 64.4 152.3-146.3 82.0 2.8 5.6 -8.5 13 12 A L > + 0 0 4 51,-0.4 3,-2.0 -2,-0.2 2,-0.3 0.334 36.3 125.9 -92.3 7.3 2.4 6.7 -4.9 14 13 A V T 3 S+ 0 0 43 1,-0.3 49,-0.2 50,-0.2 42,-0.1 -0.505 79.1 16.9 -67.6 128.0 6.0 6.2 -4.2 15 14 A G T 3 S+ 0 0 45 47,-0.6 -1,-0.3 -2,-0.3 48,-0.1 0.440 97.8 105.0 89.8 -0.1 7.6 9.4 -2.8 16 15 A V S <> S- 0 0 57 -3,-2.0 4,-0.6 46,-0.3 5,-0.2 0.210 96.5 -97.6 -96.4 15.2 4.1 10.7 -2.0 17 16 A G H > - 0 0 27 3,-0.2 4,-2.6 2,-0.2 5,-0.3 0.531 29.8 -98.4 77.5 131.4 4.5 10.0 1.7 18 17 A G H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.828 124.4 59.5 -51.5 -32.0 3.1 6.8 3.3 19 18 A S H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.995 107.6 39.7 -61.5 -65.6 0.2 9.0 4.4 20 19 A V H X S+ 0 0 71 -4,-0.6 4,-1.9 1,-0.3 -2,-0.2 0.917 117.3 51.7 -49.9 -47.9 -0.9 10.1 0.9 21 20 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 -8,-0.2 -1,-0.3 0.914 109.1 50.6 -56.6 -44.0 -0.2 6.6 -0.3 22 21 A K H X S+ 0 0 52 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.942 106.6 53.5 -60.2 -48.2 -2.3 5.2 2.5 23 22 A A H X S+ 0 0 33 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.851 106.9 54.4 -55.5 -34.5 -5.2 7.5 1.7 24 23 A I H X S+ 0 0 40 -4,-1.9 4,-2.5 -5,-0.3 5,-0.3 0.924 105.3 51.1 -66.7 -43.8 -5.1 6.2 -1.9 25 24 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 7,-0.3 0.880 115.3 43.4 -61.2 -37.7 -5.4 2.6 -0.8 26 25 A E H < S+ 0 0 79 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.935 120.3 39.4 -74.0 -46.4 -8.4 3.4 1.3 27 26 A R H < S+ 0 0 209 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.716 121.5 46.7 -74.9 -19.5 -10.0 5.7 -1.3 28 27 A Q H < S+ 0 0 82 -4,-2.5 -21,-0.6 -5,-0.3 -2,-0.2 0.802 133.4 9.4 -90.2 -32.3 -8.9 3.2 -4.0 29 28 A N >< - 0 0 2 -4,-2.1 3,-2.9 -5,-0.3 -1,-0.2 -0.667 56.8-173.4-151.9 90.6 -10.1 0.1 -2.2 30 29 A P T 3 S+ 0 0 109 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.576 90.2 62.7 -59.1 -9.7 -12.2 0.5 0.9 31 30 A N T 3 S+ 0 0 118 -6,-0.1 2,-0.4 18,-0.1 -5,-0.1 0.414 97.3 66.5 -96.6 1.2 -11.8 -3.3 1.3 32 31 A V S < S- 0 0 5 -3,-2.9 19,-0.3 -7,-0.3 2,-0.3 -0.976 77.2-134.6-124.6 137.0 -8.1 -3.1 1.7 33 32 A K E -a 51 0A 104 17,-2.1 19,-1.9 -2,-0.4 2,-0.8 -0.633 18.4-127.2 -87.8 147.1 -6.2 -1.5 4.6 34 33 A A E -a 52 0A 5 -2,-0.3 2,-0.2 17,-0.2 19,-0.2 -0.828 30.2-172.1 -96.2 107.2 -3.2 0.8 3.9 35 34 A V E -a 53 0A 22 17,-2.6 19,-2.6 -2,-0.8 2,-0.4 -0.660 9.1-162.6 -96.4 154.9 -0.2 -0.5 5.8 36 35 A I E +a 54 0A 64 -2,-0.2 2,-0.3 17,-0.2 19,-0.3 -0.833 21.6 154.3-140.2 100.3 3.1 1.5 6.1 37 36 A L E -a 55 0A 32 17,-2.6 19,-1.2 -2,-0.4 2,-0.2 -0.935 48.5-101.5-126.1 150.3 6.2 -0.3 7.3 38 37 A E E > -a 56 0A 133 -2,-0.3 3,-3.3 17,-0.3 2,-0.4 -0.504 56.4 -89.0 -68.3 133.4 9.9 0.4 6.6 39 38 A E T 3 S+ 0 0 132 17,-2.1 19,-0.2 1,-0.3 -1,-0.2 -0.172 124.3 34.3 -43.3 95.2 11.2 -1.9 3.9 40 39 A G T 3 S+ 0 0 63 -2,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.171 73.2 149.5 139.6 -16.6 12.3 -4.7 6.3 41 40 A T < - 0 0 48 -3,-3.3 2,-1.0 1,-0.2 -1,-0.3 -0.293 57.4-117.4 -50.9 113.6 9.7 -4.6 9.0 42 41 A P + 0 0 131 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.381 58.6 152.2 -56.7 94.7 9.5 -8.2 10.2 43 42 A V - 0 0 64 -2,-1.0 -6,-0.0 1,-0.3 0, 0.0 -0.451 48.9 -63.7-115.9-169.5 5.8 -8.9 9.2 44 43 A T - 0 0 97 -2,-0.2 -1,-0.3 1,-0.1 3,-0.0 -0.038 37.6-133.6 -66.7 179.3 3.9 -12.0 8.3 45 44 A K S S+ 0 0 187 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.771 81.3 77.5-106.0 -37.7 4.7 -13.9 5.1 46 45 A D S S- 0 0 123 1,-0.0 2,-0.3 2,-0.0 -2,-0.1 -0.560 71.7-147.1 -75.5 136.3 1.3 -14.5 3.6 47 46 A F - 0 0 115 -2,-0.2 2,-0.4 22,-0.1 5,-0.1 -0.779 3.7-145.9-103.9 149.7 -0.2 -11.4 1.8 48 47 A R > - 0 0 110 -2,-0.3 3,-1.7 3,-0.3 21,-0.3 -0.947 16.2-137.5-117.1 135.4 -3.9 -10.5 1.7 49 48 A a T 3 S+ 0 0 28 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.576 106.0 63.9 -63.7 -5.8 -5.6 -8.8 -1.2 50 49 A N T 3 S+ 0 0 74 1,-0.2 -17,-2.1 -18,-0.1 -1,-0.3 0.017 96.6 62.5-105.2 26.9 -7.4 -6.8 1.5 51 50 A R E < -a 33 0A 80 -3,-1.7 2,-1.1 -19,-0.3 -3,-0.3 -0.728 64.7-158.0-152.7 99.0 -4.2 -5.2 2.8 52 51 A V E -a 34 0A 4 -19,-1.9 -17,-2.6 -2,-0.2 2,-1.1 -0.672 18.5-152.4 -79.5 103.3 -2.0 -2.9 0.6 53 52 A R E -a 35 0A 25 -2,-1.1 2,-0.3 -19,-0.2 -17,-0.2 -0.651 14.1-169.0 -79.5 99.6 1.3 -3.1 2.5 54 53 A I E -a 36 0A 0 -19,-2.6 -17,-2.6 -2,-1.1 2,-0.3 -0.686 5.4-170.0 -88.3 142.3 3.1 0.2 1.8 55 54 A W E -aB 37 63A 28 8,-1.6 8,-1.5 -2,-0.3 2,-0.5 -0.879 17.7-133.0-130.5 163.7 6.7 0.4 2.7 56 55 A V E -aB 38 62A 30 -19,-1.2 -17,-2.1 6,-0.3 2,-0.3 -0.970 17.8-138.0-118.9 128.0 9.3 3.2 3.0 57 56 A N E >> - B 0 61A 26 4,-1.0 3,-2.7 -2,-0.5 4,-1.8 -0.668 24.7-118.8 -84.5 136.7 12.8 2.7 1.5 58 57 A K T 34 S+ 0 0 188 -2,-0.3 -1,-0.1 1,-0.3 4,-0.0 0.740 107.0 86.3 -43.4 -23.9 15.7 4.0 3.7 59 58 A R T 34 S- 0 0 177 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.588 119.7-102.7 -56.4 -5.1 16.3 6.3 0.7 60 59 A G T <4 S+ 0 0 69 -3,-2.7 2,-0.3 1,-0.3 -2,-0.2 0.843 87.1 109.1 86.6 36.3 13.7 8.5 2.5 61 60 A L E < S-B 57 0A 69 -4,-1.8 -4,-1.0 -45,-0.0 2,-0.7 -0.867 72.2-108.7-137.7 171.7 10.8 7.6 0.2 62 61 A V E -B 56 0A 12 -2,-0.3 2,-1.6 -6,-0.3 -47,-0.6 -0.882 23.2-161.9-107.1 105.1 7.6 5.6 0.3 63 62 A V E -B 55 0A 34 -8,-1.5 -8,-1.6 -2,-0.7 -49,-0.1 -0.633 14.8-179.7 -85.2 84.4 7.8 2.4 -1.7 64 63 A S - 0 0 1 -2,-1.6 -51,-0.4 -10,-0.2 -50,-0.2 -0.777 29.3-129.5 -90.1 107.1 4.1 1.6 -2.1 65 64 A P - 0 0 41 0, 0.0 2,-0.7 0, 0.0 -55,-0.1 -0.390 11.4-150.6 -57.4 102.8 3.8 -1.6 -4.2 66 65 A P S S+ 0 0 40 0, 0.0 2,-0.3 0, 0.0 -56,-0.3 0.153 78.3 68.3 -63.6 22.1 1.3 -0.6 -6.8 67 66 A R S S- 0 0 180 -2,-0.7 -58,-0.2 -58,-0.3 2,-0.1 -0.935 74.1-143.6-148.2 122.0 0.2 -4.2 -6.9 68 67 A I 0 0 26 -60,-1.8 -19,-0.1 -2,-0.3 -16,-0.1 -0.450 360.0 360.0 -80.6 157.6 -1.6 -6.2 -4.3 69 68 A G 0 0 64 -21,-0.3 -20,-0.3 -18,-0.3 -1,-0.1 0.675 360.0 360.0-107.3 360.0 -0.7 -9.9 -3.7