==== 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 HYDROLASE INHIBITOR 27-SEP-02 1MVZ . COMPND 2 MOLECULE: BOWMAN-BIRK TYPE PROTEASE INHIBITOR, (MSTI); . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO SCUTELLATA; . AUTHOR M.CATALANO,L.RAGONA,H.MOLINARI,A.TAVA,L.ZETTA . 62 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 21 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 17.7 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 . 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 . 1 1.6 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 9.7 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+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 . 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 PARALLEL BRIDGES PER LADDER . 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 199 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.4 -3.6 24.6 1.4 2 2 A K - 0 0 201 1,-0.4 2,-0.2 0, 0.0 0, 0.0 0.169 360.0 -34.7-159.4 -58.2 -0.3 22.6 2.1 3 3 A S - 0 0 107 3,-0.0 -1,-0.4 2,-0.0 2,-0.2 -0.883 49.4-150.3-161.6-174.5 -0.6 19.0 1.0 4 4 A T - 0 0 109 -2,-0.2 2,-1.7 -3,-0.1 0, 0.0 -0.827 49.1 -51.4-154.9-170.8 -3.0 16.0 0.8 5 5 A T + 0 0 109 -2,-0.2 28,-0.2 57,-0.0 3,-0.1 -0.561 68.4 171.2 -80.9 79.0 -3.2 12.1 0.8 6 6 A T - 0 0 87 -2,-1.7 2,-0.5 1,-0.2 27,-0.1 -0.028 51.0 -50.4 -74.9-177.9 -0.5 11.3 -1.7 7 7 A A S S+ 0 0 23 26,-0.3 -1,-0.2 25,-0.2 2,-0.2 -0.501 81.3 156.1 -61.3 110.5 1.0 7.9 -2.6 8 8 A a - 0 0 7 -2,-0.5 2,-0.3 50,-0.2 52,-0.2 -0.424 27.5-165.3-122.5-168.7 1.9 6.5 0.8 9 9 A b B -a 60 0A 0 50,-1.4 52,-1.6 -2,-0.2 3,-0.1 -0.916 11.4-163.6-166.0 179.2 2.5 3.3 2.7 10 10 A D S S+ 0 0 79 1,-0.4 2,-0.7 -2,-0.3 50,-0.1 0.313 86.1 28.0-132.7 -74.9 2.7 2.1 6.3 11 11 A F S S- 0 0 116 1,-0.0 14,-2.3 49,-0.0 -1,-0.4 -0.861 71.3-179.3 -90.3 115.7 4.3 -1.4 6.4 12 12 A c + 0 0 42 -2,-0.7 12,-0.2 12,-0.2 2,-0.1 -0.645 7.1 172.2-120.0 72.5 6.6 -1.6 3.3 13 13 A P - 0 0 59 0, 0.0 10,-2.5 0, 0.0 2,-0.3 -0.347 11.4-161.3 -75.5 161.3 8.3 -5.0 3.2 14 14 A d B -B 22 0B 62 8,-0.2 8,-0.3 -2,-0.1 2,-0.2 -0.949 20.3-107.9-139.3 158.5 10.3 -6.2 0.2 15 15 A T - 0 0 64 6,-2.7 8,-0.0 -2,-0.3 0, 0.0 -0.496 22.3-134.0 -77.9 157.1 11.7 -9.5 -1.4 16 16 A R + 0 0 249 -2,-0.2 2,-0.1 4,-0.1 -1,-0.1 -0.184 66.5 121.0-106.9 36.5 15.4 -10.2 -1.1 17 17 A S S S- 0 0 55 2,-0.2 -3,-0.0 4,-0.1 -2,-0.0 -0.229 74.2 -78.7 -86.5 179.5 15.6 -11.2 -4.8 18 18 A I S S+ 0 0 163 1,-0.4 -2,-0.1 -2,-0.1 3,-0.0 -0.957 129.2 21.4-126.2 104.7 17.7 -9.6 -7.6 19 19 A P S S- 0 0 88 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 0.651 106.0-133.3 -73.3 159.1 16.2 -7.1 -8.4 20 20 A P - 0 0 56 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.563 12.5-149.2 -75.7 142.1 14.3 -6.7 -5.1 21 21 A Q - 0 0 91 -2,-0.2 -6,-2.7 -3,-0.0 2,-0.3 -0.976 11.1-160.6-111.9 127.0 10.5 -5.9 -5.3 22 22 A d B +BC 14 54B 12 32,-2.9 32,-2.5 -2,-0.5 -8,-0.2 -0.752 14.6 169.7-104.8 151.3 9.0 -3.8 -2.6 23 23 A Q - 0 0 37 -10,-2.5 2,-0.4 -2,-0.3 30,-0.1 -0.817 32.2-105.8-141.9-179.6 5.3 -3.7 -1.7 24 24 A b - 0 0 2 28,-0.5 -12,-0.2 -2,-0.2 -15,-0.0 -0.937 16.3-175.0-110.8 141.6 2.8 -2.4 0.8 25 25 A T + 0 0 62 -14,-2.3 2,-0.2 -2,-0.4 -13,-0.1 -0.166 41.7 140.2-117.6 34.3 1.0 -4.7 3.3 26 26 A D - 0 0 15 24,-0.5 24,-0.8 -15,-0.2 2,-0.3 -0.498 33.2-169.1 -81.7 149.8 -1.1 -1.8 4.7 27 27 A V E +D 49 0C 63 22,-0.2 22,-0.2 -2,-0.2 2,-0.2 -0.986 36.2 108.0-142.7 122.1 -4.8 -2.1 5.5 28 28 A R E S-D 48 0C 63 20,-2.4 20,-1.5 1,-0.6 3,-0.1 -0.628 75.9 -39.7-162.9-150.3 -6.8 1.0 6.3 29 29 A E S S- 0 0 159 1,-0.2 -1,-0.6 18,-0.2 19,-0.3 0.347 107.5 -15.1 -68.7-143.0 -9.6 3.0 4.5 30 30 A K S S- 0 0 139 1,-0.1 -1,-0.2 -3,-0.1 20,-0.1 -0.168 81.2 -97.4 -67.5 158.4 -9.1 3.3 0.7 31 31 A e - 0 0 41 18,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.247 45.9 -94.3 -74.1 159.2 -5.8 2.5 -1.1 32 32 A H - 0 0 25 -24,-0.1 3,-0.5 2,-0.1 -25,-0.2 -0.034 37.5 -90.1 -80.6 177.4 -3.3 5.2 -2.1 33 33 A S S S+ 0 0 100 1,-0.3 -26,-0.3 -28,-0.2 -1,-0.1 0.108 117.7 49.9 -78.5 21.6 -2.6 7.2 -5.2 34 34 A A S S+ 0 0 33 -28,-0.1 2,-0.4 -26,-0.1 -1,-0.3 -0.307 73.7 130.8-155.3 64.3 -0.1 4.7 -6.7 35 35 A f + 0 0 34 -3,-0.5 3,-0.2 1,-0.1 -4,-0.0 -0.987 22.7 168.8-123.8 127.9 -1.7 1.2 -6.5 36 36 A K S S+ 0 0 207 -2,-0.4 2,-0.6 1,-0.4 -1,-0.1 0.709 87.6 43.5-102.9 -36.5 -1.9 -1.2 -9.4 37 37 A S S S+ 0 0 52 2,-0.0 14,-2.7 0, 0.0 -1,-0.4 -0.972 74.7 157.1-106.0 114.9 -3.0 -4.0 -7.1 38 38 A e E +E 50 0C 50 -2,-0.6 2,-0.3 12,-0.2 12,-0.2 -0.990 8.0 153.5-134.2 132.6 -5.7 -2.6 -4.7 39 39 A L E -E 49 0C 113 10,-2.2 10,-1.9 -2,-0.3 2,-0.2 -0.971 24.5-144.2-157.3 157.3 -8.2 -5.0 -3.0 40 40 A g E -E 48 0C 52 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.741 21.7-106.6-122.2 166.2 -10.3 -5.1 0.2 41 41 A T - 0 0 47 6,-2.4 -2,-0.0 -2,-0.2 0, 0.0 -0.724 17.6-138.0 -89.7 150.3 -11.5 -7.6 2.7 42 42 A R S S+ 0 0 241 -2,-0.3 -1,-0.1 4,-0.1 -2,-0.0 0.341 71.1 111.2 -82.9 0.9 -15.2 -8.7 2.7 43 43 A S S S- 0 0 68 2,-0.2 -2,-0.0 4,-0.1 -3,-0.0 0.087 80.0 -71.2 -69.3-178.1 -15.2 -8.5 6.5 44 44 A F S S+ 0 0 207 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.975 130.3 29.3-120.3 111.0 -17.0 -6.1 8.9 45 45 A P S S- 0 0 79 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 0.547 98.7-139.1 -74.4 149.9 -15.7 -3.4 8.6 46 46 A P - 0 0 87 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 -0.702 25.8-165.5 -75.9 108.6 -14.6 -3.9 5.0 47 47 A Q - 0 0 80 -2,-0.8 -6,-2.4 -17,-0.0 2,-0.2 -0.806 9.6-135.0-104.4 140.2 -11.1 -2.5 5.0 48 48 A g E -DE 28 40C 22 -20,-1.5 -20,-2.4 -2,-0.4 2,-0.3 -0.647 20.6-166.7-107.1 151.0 -9.2 -1.7 1.8 49 49 A R E -DE 27 39C 71 -10,-1.9 -10,-2.2 -2,-0.2 2,-0.4 -0.967 16.8-138.2-144.9 143.3 -5.6 -2.5 1.1 50 50 A f E + E 0 38C 7 -24,-0.8 -24,-0.5 -2,-0.3 -12,-0.2 -0.944 17.1 174.1-112.0 131.9 -2.8 -1.7 -1.4 51 51 A Y + 0 0 120 -14,-2.7 -13,-0.1 -2,-0.4 -26,-0.1 -0.231 24.6 162.2-127.4 37.4 -0.5 -4.5 -2.7 52 52 A D - 0 0 4 -15,-0.2 2,-0.5 -18,-0.1 -28,-0.5 -0.128 35.3-134.0 -56.3 155.0 1.5 -2.4 -5.3 53 53 A I + 0 0 100 -30,-0.1 2,-0.3 -32,-0.0 -30,-0.2 -0.970 41.1 148.4-115.3 111.7 4.8 -3.6 -6.7 54 54 A T B -C 22 0B 27 -32,-2.5 -32,-2.9 -2,-0.5 0, 0.0 -0.889 55.8-120.4-130.5 163.5 7.5 -0.9 -6.8 55 55 A D S S+ 0 0 105 -2,-0.3 2,-0.2 -34,-0.2 -32,-0.1 0.711 95.4 33.3 -70.0 -21.3 11.3 -1.0 -6.4 56 56 A F S S- 0 0 107 -34,-0.2 2,-0.3 -35,-0.0 -2,-0.2 -0.577 80.6-102.8-130.6-179.3 11.0 1.3 -3.3 57 57 A c - 0 0 60 -2,-0.2 -48,-0.1 -48,-0.0 -33,-0.1 -0.850 26.1-137.1-112.8 147.9 8.9 2.4 -0.3 58 58 A Y - 0 0 44 -2,-0.3 -50,-0.2 1,-0.2 3,-0.1 -0.640 34.8 -88.1 -97.6 159.4 6.6 5.5 0.1 59 59 A P - 0 0 91 0, 0.0 -50,-1.4 0, 0.0 -1,-0.2 -0.129 61.8 -69.4 -64.2 164.5 6.5 7.7 3.2 60 60 A S B -a 9 0A 109 -52,-0.2 -50,-0.2 1,-0.1 2,-0.1 -0.241 51.8-146.5 -63.2 141.6 4.1 7.0 6.1 61 61 A a 0 0 40 -52,-1.6 -1,-0.1 1,-0.1 -54,-0.0 -0.235 360.0 360.0 -93.0-177.0 0.3 7.4 5.6 62 62 A S 0 0 137 -2,-0.1 -1,-0.1 0, 0.0 -57,-0.0 0.222 360.0 360.0-147.8 360.0 -2.6 8.4 7.8