==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE INHIBITOR 20-SEP-97 1AVU . COMPND 2 MOLECULE: TRYPSIN INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCINE MAX; . AUTHOR H.K.SONG,S.W.SUH . 172 3 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 61.6 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 . 65 37.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 19 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 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+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 . 7 4 2 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 D 0 0 144 0, 0.0 68,-3.3 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 43.7 4.3 34.4 25.1 2 2 A F B -A 68 0A 100 66,-0.3 2,-0.3 1,-0.1 66,-0.3 -0.323 360.0-117.9 -64.1 141.2 5.6 31.5 23.0 3 3 A V - 0 0 0 64,-2.8 8,-2.2 8,-0.2 2,-0.4 -0.679 34.9-148.3 -84.0 134.6 8.2 29.1 24.3 4 4 A L E -B 10 0B 49 -2,-0.3 166,-0.4 6,-0.3 2,-0.1 -0.903 9.4-132.0-117.0 134.2 11.4 29.2 22.3 5 5 A D E >> -B 9 0B 0 4,-4.1 3,-3.9 -2,-0.4 4,-0.6 -0.517 47.4 -94.6 -74.6 150.2 14.0 26.6 21.4 6 6 A N T 34 S+ 0 0 55 164,-2.5 -1,-0.1 1,-0.3 165,-0.1 0.294 128.8 64.3 -58.0 22.1 17.6 27.8 22.0 7 7 A E T 34 S- 0 0 131 2,-0.3 -1,-0.3 163,-0.2 164,-0.1 0.235 121.0-109.8-114.4 15.3 17.6 28.8 18.3 8 8 A G T <4 S+ 0 0 40 -3,-3.9 -2,-0.2 1,-0.3 -4,-0.0 0.793 79.3 129.9 64.7 25.5 14.9 31.4 19.1 9 9 A N E < -B 5 0B 81 -4,-0.6 -4,-4.1 3,-0.0 -1,-0.3 -0.958 64.1-109.9-107.8 136.9 12.3 29.3 17.3 10 10 A P E -B 4 0B 31 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 -0.288 39.9 -95.5 -67.3 143.4 9.0 28.6 19.1 11 11 A L - 0 0 0 -8,-2.2 56,-2.1 56,-0.3 2,-0.3 -0.413 36.1-130.2 -56.2 122.1 8.3 25.0 20.2 12 12 A E B > -C 66 0C 48 -2,-0.2 3,-1.6 54,-0.2 2,-0.6 -0.601 26.0-111.9 -67.8 132.0 6.2 23.0 17.6 13 13 A N T 3 S+ 0 0 43 52,-2.6 46,-0.2 -2,-0.3 -1,-0.1 -0.574 105.9 16.8 -65.1 108.9 3.3 21.2 19.3 14 14 A G T 3 S+ 0 0 42 44,-4.4 -1,-0.3 -2,-0.6 2,-0.2 0.624 99.7 129.9 100.3 22.2 4.1 17.6 18.9 15 15 A G E < -D 58 0D 15 -3,-1.6 43,-2.3 43,-0.9 2,-0.5 -0.630 57.8-112.3-110.4 163.9 7.8 18.0 18.2 16 16 A T E +D 57 0D 32 157,-0.2 157,-2.9 -2,-0.2 2,-0.3 -0.859 38.6 165.5-107.6 126.9 10.9 16.4 19.7 17 17 A Y E -DE 56 172D 1 39,-2.1 39,-3.1 -2,-0.5 2,-0.4 -0.916 36.4-125.0-132.9 146.1 13.3 18.4 21.8 18 18 A Y E - E 0 171D 43 153,-2.5 153,-3.0 -2,-0.3 2,-1.0 -0.803 25.2-138.6 -83.4 140.1 16.2 17.7 24.1 19 19 A I E - E 0 170D 5 -2,-0.4 10,-0.6 35,-0.4 151,-0.3 -0.875 29.2-171.4-102.4 86.4 15.5 19.5 27.4 20 20 A L E - E 0 169D 30 149,-2.0 149,-2.4 -2,-1.0 2,-0.2 -0.307 14.0-126.5 -74.9 160.5 19.0 20.7 28.2 21 21 A S E - E 0 168D 15 5,-0.3 147,-0.2 147,-0.3 -1,-0.1 -0.470 6.9-131.4 -96.2 179.1 19.9 22.3 31.5 22 22 A D S S+ 0 0 78 145,-0.8 2,-0.8 -2,-0.2 146,-0.1 0.757 88.0 84.2 -95.2 -46.6 21.5 25.7 32.4 23 23 A I > - 0 0 60 144,-0.3 3,-2.5 1,-0.2 -2,-0.1 -0.514 69.9-155.5 -51.9 104.3 24.1 24.3 34.9 24 24 A T T 3 S+ 0 0 127 -2,-0.8 -1,-0.2 1,-0.3 25,-0.1 0.630 89.8 75.6 -66.2 -11.4 26.9 23.2 32.5 25 25 A A T 3 S+ 0 0 49 23,-0.1 24,-0.4 2,-0.0 -1,-0.3 0.630 99.2 65.2 -62.7 -10.9 27.9 20.7 35.2 26 26 A F < - 0 0 54 -3,-2.5 -5,-0.3 23,-0.2 21,-0.2 -0.722 64.4-152.6-134.2 155.7 24.9 18.9 33.9 27 27 A G - 0 0 4 19,-2.4 25,-0.2 1,-0.3 22,-0.2 -0.332 38.4 -54.4-111.0-160.2 23.3 17.1 31.0 28 28 A G - 0 0 0 23,-4.1 18,-4.2 20,-0.3 2,-0.4 0.057 55.6 -90.0 -78.3 176.7 20.0 16.2 29.5 29 29 A I E +F 45 0D 4 -10,-0.6 25,-2.3 23,-0.4 16,-0.3 -0.730 56.5 147.0 -88.5 134.9 16.9 14.6 30.9 30 30 A R E -F 44 0D 75 14,-3.4 14,-3.3 -2,-0.4 2,-0.4 -0.801 44.0 -87.8-149.2-170.9 16.6 10.8 30.5 31 31 A A E +F 43 0D 16 12,-0.2 12,-0.2 -2,-0.2 10,-0.1 -0.907 39.0 169.0-110.7 139.8 15.3 7.7 32.3 32 32 A A E -F 42 0D 19 10,-2.0 10,-2.4 -2,-0.4 2,-0.3 -0.979 37.5-105.7-144.5 149.5 17.0 5.5 34.9 33 33 A P - 0 0 64 0, 0.0 2,-0.4 0, 0.0 5,-0.1 -0.663 36.8-167.9 -67.9 148.1 16.2 2.6 37.3 34 34 A T - 0 0 15 5,-0.3 3,-0.3 -2,-0.3 2,-0.2 -0.970 49.7 -36.0-153.1 116.6 16.0 3.8 40.9 35 35 A G S S- 0 0 57 -2,-0.4 2,-0.3 1,-0.2 0, 0.0 -0.477 127.9 -1.7 55.9-130.3 15.8 1.5 43.8 36 36 A N S S+ 0 0 181 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.050 101.6 108.7 -90.9 21.0 13.8 -1.6 43.2 37 37 A E - 0 0 40 -3,-0.3 5,-0.0 -2,-0.3 -2,-0.0 -0.799 45.0-168.9 -93.2 141.6 12.7 -0.9 39.6 38 38 A R S S+ 0 0 66 -2,-0.3 -1,-0.1 -5,-0.1 48,-0.1 0.640 72.8 66.0 -99.9 -30.2 14.3 -3.0 36.8 39 39 A a S S- 0 0 23 46,-0.1 2,-1.6 -7,-0.1 -5,-0.3 -0.636 101.0-103.4 -85.0 152.2 12.9 -1.0 34.0 40 40 A P + 0 0 17 0, 0.0 68,-0.1 0, 0.0 -2,-0.0 -0.619 64.9 144.0 -79.4 87.7 14.2 2.6 33.6 41 41 A L + 0 0 29 -2,-1.6 66,-2.0 -9,-0.2 2,-0.3 0.431 35.7 92.0-107.0 -12.3 11.2 4.4 35.0 42 42 A T E S-FG 32 106D 1 -10,-2.4 -10,-2.0 64,-0.2 2,-0.7 -0.724 71.7-131.6 -88.8 135.4 12.6 7.4 36.8 43 43 A V E +F 31 0D 0 62,-1.4 115,-2.1 -2,-0.3 2,-0.3 -0.883 39.4 175.1 -86.2 112.4 13.0 10.7 35.0 44 44 A V E -FH 30 157D 1 -14,-3.3 -14,-3.4 -2,-0.7 2,-0.5 -0.849 33.8-124.9-117.7 154.2 16.5 11.8 35.7 45 45 A Q E -FH 29 156D 0 111,-1.9 111,-0.5 -2,-0.3 -16,-0.3 -0.933 39.3-114.6 -88.8 126.0 18.9 14.7 34.7 46 46 A S - 0 0 0 -18,-4.2 -19,-2.4 -2,-0.5 3,-0.0 -0.252 13.2-154.1 -56.3 144.5 22.2 13.4 33.3 47 47 A R S S+ 0 0 109 -21,-0.2 2,-1.0 1,-0.1 -1,-0.1 0.789 77.0 89.6 -86.4 -29.1 25.4 14.2 35.3 48 48 A N > - 0 0 81 1,-0.2 3,-3.4 -22,-0.1 -20,-0.3 -0.486 68.4-156.8 -76.7 104.0 27.4 13.9 32.1 49 49 A E T 3 S+ 0 0 103 -2,-1.0 -1,-0.2 -24,-0.4 -23,-0.2 0.679 91.4 61.9 -60.2 -13.0 27.4 17.4 30.7 50 50 A L T 3 S+ 0 0 143 -23,-0.1 2,-0.7 1,-0.1 -1,-0.3 0.418 84.2 98.7 -90.4 -2.4 28.1 15.9 27.3 51 51 A D < - 0 0 36 -3,-3.4 -23,-4.1 1,-0.1 -5,-0.2 -0.799 50.6-171.6 -94.4 112.5 24.9 14.0 27.4 52 52 A K - 0 0 89 -2,-0.7 -23,-0.4 1,-0.2 -33,-0.3 0.571 35.9-149.0 -76.6 -8.5 21.9 15.5 25.5 53 53 A G - 0 0 14 -25,-0.3 2,-0.4 -35,-0.1 -23,-0.2 -0.415 38.1 -30.7 79.1-158.5 19.6 12.9 27.0 54 54 A I - 0 0 12 -25,-2.3 -35,-0.4 -2,-0.1 2,-0.4 -0.849 65.6-114.5 -99.1 131.5 16.4 11.4 25.3 55 55 A G - 0 0 8 -2,-0.4 23,-2.6 24,-0.2 2,-0.4 -0.640 33.4-148.4 -70.2 132.6 14.4 13.6 22.9 56 56 A T E -DI 17 77D 0 -39,-3.1 -39,-2.1 -2,-0.4 2,-0.4 -0.803 8.0-131.3-110.9 129.3 11.0 14.3 24.4 57 57 A I E -DI 16 76D 32 19,-3.5 19,-1.8 -2,-0.4 2,-0.6 -0.739 23.0-154.6 -82.1 121.6 7.8 14.8 22.4 58 58 A I E +DI 15 75D 0 -43,-2.3 -44,-4.4 -2,-0.4 -43,-0.9 -0.967 20.4 170.2-109.0 125.0 6.1 18.0 23.6 59 59 A S E - I 0 74D 35 15,-1.9 15,-2.7 -2,-0.6 -46,-0.1 -0.941 23.1-161.0-138.6 139.5 2.3 18.2 23.1 60 60 A S - 0 0 11 -2,-0.3 13,-0.2 2,-0.3 -2,-0.0 -0.936 25.5-132.6-112.8 149.6 -0.7 20.3 24.1 61 61 A P S S+ 0 0 58 0, 0.0 12,-0.1 0, 0.0 -1,-0.1 0.816 83.9 87.9 -70.7 -28.9 -4.2 19.1 23.9 62 62 A Y S S- 0 0 131 10,-0.3 -2,-0.3 1,-0.1 9,-0.0 -0.328 91.8-112.8 -62.2 158.6 -5.3 22.4 22.2 63 63 A R S S+ 0 0 242 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 0.186 71.9 132.7 -84.0 21.5 -5.1 22.8 18.5 64 64 A I - 0 0 45 1,-0.1 -4,-0.2 4,-0.0 3,-0.1 -0.430 49.2-153.9 -60.7 148.0 -2.3 25.4 18.8 65 65 A R S S+ 0 0 148 1,-0.2 -52,-2.6 -53,-0.1 2,-0.5 0.636 81.2 50.8 -90.5 -22.7 0.6 24.8 16.5 66 66 A F B S-C 12 0C 62 -54,-0.2 2,-0.6 -53,-0.0 -54,-0.2 -0.967 85.2-124.9-127.9 126.6 3.0 26.6 18.9 67 67 A I - 0 0 0 -56,-2.1 -64,-2.8 -2,-0.5 -56,-0.3 -0.626 30.6-174.0 -69.3 112.0 3.4 26.0 22.6 68 68 A A B > -A 2 0A 7 -2,-0.6 3,-1.5 -66,-0.3 -66,-0.3 -0.802 38.9 -82.5 -98.1 157.3 2.9 29.3 24.4 69 69 A E T 3 S+ 0 0 48 -68,-3.3 52,-0.2 -2,-0.3 -1,-0.2 -0.066 112.5 27.0 -51.3 159.9 3.5 29.4 28.2 70 70 A G T 3 S+ 0 0 42 50,-1.9 -1,-0.2 1,-0.2 51,-0.1 0.381 86.1 130.6 68.1 -8.7 0.8 28.3 30.5 71 71 A H < - 0 0 36 -3,-1.5 49,-0.4 49,-0.2 2,-0.3 -0.459 68.2-103.7 -64.3 146.8 -0.7 25.9 27.9 72 72 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -10,-0.3 -0.635 45.7-165.7 -73.8 145.1 -1.3 22.4 29.3 73 73 A L B -J 118 0D 2 45,-3.1 45,-2.2 -2,-0.3 2,-0.4 -0.915 24.6-160.7-132.8 145.4 1.3 19.9 28.2 74 74 A S E -I 59 0D 28 -15,-2.7 -15,-1.9 -2,-0.3 2,-0.5 -0.997 18.6-163.2-116.9 132.5 1.9 16.2 28.0 75 75 A L E +I 58 0D 3 -2,-0.4 18,-2.8 18,-0.2 2,-0.4 -0.961 11.1 174.2-110.3 132.0 5.6 15.1 27.6 76 76 A K E -IK 57 92D 97 -19,-1.8 -19,-3.5 -2,-0.5 16,-0.3 -0.995 30.9-114.3-136.2 143.5 6.6 11.7 26.5 77 77 A F E -I 56 0D 1 14,-2.1 -21,-0.2 -2,-0.4 14,-0.2 -0.384 29.2-125.3 -61.6 143.5 10.1 10.2 25.6 78 78 A D - 0 0 65 -23,-2.6 -1,-0.1 1,-0.2 -22,-0.0 -0.191 56.2 -55.8 -68.8 176.3 10.8 9.2 22.1 79 79 A S + 0 0 108 -25,-0.0 2,-0.3 -2,-0.0 -24,-0.2 -0.295 69.3 165.4 -54.0 134.1 12.0 5.6 21.5 80 80 A F - 0 0 54 -3,-0.1 2,-0.5 -26,-0.1 -26,-0.0 -0.913 40.6 -76.0-138.6-176.7 15.1 4.7 23.4 81 81 A A + 0 0 99 -2,-0.3 2,-0.3 6,-0.0 -2,-0.0 -0.707 50.3 160.4 -90.0 125.9 17.1 1.6 24.4 82 82 A V - 0 0 42 -2,-0.5 5,-0.1 -43,-0.0 -43,-0.1 -0.923 47.4 -89.2-129.3 160.2 15.8 -0.7 27.2 83 83 A I >> - 0 0 99 -2,-0.3 3,-2.2 1,-0.1 4,-0.7 -0.292 47.4-104.5 -66.0 153.3 16.5 -4.4 28.1 84 84 A M G >4 S+ 0 0 167 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.842 120.1 65.7 -56.2 -31.6 14.2 -6.8 26.3 85 85 A L G 34 S+ 0 0 135 1,-0.2 -1,-0.3 -47,-0.1 -46,-0.1 0.836 105.5 43.7 -45.5 -43.8 12.3 -7.3 29.5 86 86 A a G X4 S+ 0 0 1 -3,-2.2 3,-1.7 -48,-0.1 -1,-0.2 0.517 79.5 133.9 -96.7 -6.5 11.1 -3.7 29.4 87 87 A V T << + 0 0 88 -3,-0.7 -6,-0.0 -4,-0.7 -3,-0.0 -0.101 69.6 22.2 -38.1 134.4 10.2 -3.3 25.7 88 88 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.427 81.1 147.3 85.0 -3.0 6.9 -1.6 25.1 89 89 A I < - 0 0 47 -3,-1.7 2,-0.3 1,-0.1 -1,-0.3 -0.282 57.7 -96.9 -58.9 150.9 6.5 0.3 28.4 90 90 A P - 0 0 49 0, 0.0 18,-3.3 0, 0.0 -1,-0.1 -0.612 30.1-165.4 -71.5 133.0 4.8 3.7 28.3 91 91 A T + 0 0 24 -2,-0.3 -14,-2.1 16,-0.2 2,-0.3 0.296 48.6 116.7-104.2 5.0 7.2 6.7 28.0 92 92 A E B S-K 76 0D 83 -16,-0.3 -16,-0.3 16,-0.1 2,-0.2 -0.573 72.2-108.4 -78.8 135.6 4.7 9.5 28.9 93 93 A W - 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