==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 03-MAR-04 1VBW . COMPND 2 MOLECULE: TRYPSIN INHIBITOR BGIT; . SOURCE 2 ORGANISM_SCIENTIFIC: MOMORDICA CHARANTIA; . AUTHOR K.SUTO,M.FURUICHI,E.NISHIMOTO,K.MENO,K.HORII,H.MIZUNO . 68 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 54.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 13.2 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 . 1 1.5 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-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 . 2 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 13.2 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 1 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 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 . 3 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 . 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 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 S 0 0 141 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 51.9 -17.0 12.0 -5.1 2 2 A R + 0 0 213 1,-0.2 47,-0.1 2,-0.0 45,-0.0 -0.049 360.0 54.9 -84.8 175.4 -13.8 10.5 -3.7 3 3 A a S S+ 0 0 45 1,-0.2 -1,-0.2 45,-0.2 64,-0.1 0.468 70.0 136.4 82.4 4.7 -12.4 6.9 -3.9 4 4 A Q + 0 0 112 -3,-0.5 -1,-0.2 26,-0.0 2,-0.1 -0.270 42.4 41.2 -77.7 166.6 -12.4 6.5 -7.7 5 5 A G S S- 0 0 52 24,-0.1 2,-0.2 23,-0.0 23,-0.1 -0.452 110.6 -13.4 94.4-173.8 -9.5 5.0 -9.7 6 6 A K + 0 0 92 21,-0.4 3,-0.1 -2,-0.1 -3,-0.0 -0.501 61.7 175.8 -63.4 134.8 -7.5 2.0 -8.8 7 7 A S + 0 0 60 1,-0.2 60,-2.5 -2,-0.2 2,-0.3 0.469 54.9 39.9-129.4 -0.5 -8.1 1.1 -5.3 8 8 A S B -A 66 0A 43 58,-0.2 -1,-0.2 43,-0.0 58,-0.2 -0.992 50.6-163.8-148.0 149.7 -6.2 -2.1 -4.5 9 9 A W > + 0 0 5 56,-2.8 3,-2.0 -2,-0.3 4,-0.3 -0.600 19.6 163.5-127.9 65.5 -2.8 -3.3 -5.4 10 10 A P G > S+ 0 0 80 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.802 72.0 63.6 -62.3 -26.5 -2.7 -7.0 -4.7 11 11 A Q G 3 S+ 0 0 179 1,-0.2 -2,-0.0 -3,-0.1 4,-0.0 0.585 85.9 75.3 -74.5 -8.0 0.4 -7.6 -6.8 12 12 A L G X + 0 0 18 -3,-2.0 3,-2.2 53,-0.1 49,-0.3 0.601 64.4 111.5 -83.0 -6.4 2.5 -5.5 -4.5 13 13 A V T < S+ 0 0 69 -3,-1.2 49,-0.2 -4,-0.3 3,-0.1 -0.401 82.6 26.4 -62.3 139.6 2.7 -8.1 -1.8 14 14 A G T 3 S+ 0 0 56 47,-2.8 -1,-0.3 1,-0.4 2,-0.1 0.253 101.3 109.2 88.1 -14.0 6.3 -9.2 -1.7 15 15 A S S < S- 0 0 38 -3,-2.2 46,-3.2 1,-0.1 -1,-0.4 -0.394 80.3 -93.0 -81.4 166.4 7.6 -6.0 -3.1 16 16 A T B > -E 60 0B 72 44,-0.2 4,-2.5 1,-0.1 44,-0.2 -0.470 32.5-117.8 -74.9 154.7 9.6 -3.4 -1.1 17 17 A G H > S+ 0 0 5 42,-2.7 4,-2.7 1,-0.2 5,-0.2 0.895 113.8 52.7 -58.6 -39.8 7.5 -0.7 0.6 18 18 A A H > S+ 0 0 76 41,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 109.1 48.0 -64.1 -43.8 9.3 2.0 -1.4 19 19 A A H > S+ 0 0 46 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 113.4 49.6 -60.9 -44.4 8.6 0.3 -4.7 20 20 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.921 106.5 54.3 -60.6 -46.2 5.0 -0.1 -3.7 21 21 A K H X S+ 0 0 64 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.931 110.8 46.6 -53.9 -46.9 4.6 3.6 -2.6 22 22 A A H X S+ 0 0 49 -4,-2.0 4,-1.6 2,-0.2 5,-0.2 0.909 113.1 47.7 -66.8 -39.8 5.8 4.8 -5.9 23 23 A V H X S+ 0 0 50 -4,-2.3 4,-2.7 2,-0.2 3,-0.2 0.953 114.5 47.0 -63.4 -47.7 3.6 2.4 -7.9 24 24 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.924 114.0 45.9 -59.0 -49.2 0.5 3.3 -5.9 25 25 A E H < S+ 0 0 64 -4,-2.5 -1,-0.2 -5,-0.3 6,-0.2 0.751 115.3 47.2 -72.9 -25.0 1.0 7.0 -6.0 26 26 A R H < S+ 0 0 211 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.852 114.5 46.1 -75.2 -44.4 1.7 6.9 -9.8 27 27 A E H < S+ 0 0 97 -4,-2.7 -21,-0.4 1,-0.3 -2,-0.2 0.852 126.5 27.3 -73.4 -35.5 -1.3 4.7 -10.6 28 28 A N >< - 0 0 3 -4,-2.5 3,-1.6 -5,-0.2 -1,-0.3 -0.873 66.7-171.9-126.5 100.8 -3.7 6.7 -8.5 29 29 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.580 80.3 69.5 -68.7 -5.6 -2.7 10.3 -8.1 30 30 A R T 3 S+ 0 0 137 -26,-0.1 2,-0.3 18,-0.1 -27,-0.1 0.265 92.8 69.1 -96.9 13.8 -5.4 10.9 -5.6 31 31 A V < - 0 0 12 -3,-1.6 2,-0.4 -6,-0.2 19,-0.2 -0.940 61.6-150.9-130.3 156.3 -3.8 8.8 -2.9 32 32 A R E -b 50 0A 163 17,-2.2 19,-2.2 -2,-0.3 2,-0.4 -0.987 22.0-135.8-118.5 130.9 -0.8 8.9 -0.6 33 33 A A E -b 51 0A 1 -2,-0.4 2,-0.5 17,-0.2 19,-0.2 -0.741 14.6-158.8 -90.1 136.6 0.8 5.7 0.5 34 34 A V E -b 52 0A 40 17,-2.5 19,-3.0 -2,-0.4 2,-0.4 -0.967 10.3-141.7-118.0 115.0 1.8 5.4 4.1 35 35 A I E +b 53 0A 78 -2,-0.5 2,-0.4 17,-0.2 19,-0.2 -0.692 30.1 169.2 -81.2 126.1 4.5 2.8 5.1 36 36 A I E -b 54 0A 27 17,-2.5 19,-2.3 -2,-0.4 2,-0.2 -1.000 35.0-115.8-140.7 134.7 3.6 1.1 8.4 37 37 A K E > -b 55 0A 122 -2,-0.4 3,-2.2 17,-0.2 4,-0.2 -0.501 42.0 -99.9 -70.8 135.5 5.1 -1.9 10.2 38 38 A V T 3 S+ 0 0 49 17,-2.9 -1,-0.1 1,-0.3 19,-0.0 -0.244 108.8 23.7 -49.5 133.4 2.7 -4.8 10.6 39 39 A G T 3 S+ 0 0 78 -3,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.341 91.9 104.7 90.3 -4.1 1.4 -4.9 14.1 40 40 A S S < S- 0 0 70 -3,-2.2 -2,-0.1 1,-0.1 -3,-0.1 0.643 76.2-128.0 -92.4 -6.0 1.9 -1.2 14.9 41 41 A G - 0 0 51 -4,-0.2 2,-0.3 -5,-0.1 -1,-0.1 0.292 22.6-159.5 83.9 145.7 -1.7 -0.0 14.7 42 42 A A - 0 0 31 -6,-0.0 -1,-0.1 10,-0.0 -6,-0.0 -0.974 41.9 -66.4-162.5 156.3 -3.2 2.8 12.7 43 43 A T - 0 0 83 -2,-0.3 2,-0.8 1,-0.2 -2,-0.0 -0.170 39.1-135.7 -57.6 138.0 -6.5 4.8 13.0 44 44 A K + 0 0 210 2,-0.1 2,-0.2 0, 0.0 -1,-0.2 -0.170 69.0 105.2 -90.4 47.6 -9.6 2.7 12.4 45 45 A D S S- 0 0 87 -2,-0.8 2,-0.5 23,-0.1 -3,-0.0 -0.462 70.4-108.5-112.3-177.8 -11.3 5.3 10.3 46 46 A F + 0 0 139 22,-0.2 2,-0.4 -2,-0.2 -2,-0.1 -0.980 33.2 172.3-126.1 126.6 -11.9 5.4 6.5 47 47 A R > - 0 0 96 -2,-0.5 3,-1.0 3,-0.2 21,-0.6 -0.993 25.8-155.1-136.8 131.0 -10.2 7.8 4.1 48 48 A a T 3 S+ 0 0 27 -2,-0.4 -45,-0.2 1,-0.2 -1,-0.1 0.590 95.7 55.8 -76.3 -14.0 -10.3 7.8 0.3 49 49 A D T 3 S+ 0 0 67 -18,-0.1 -17,-2.2 18,-0.1 2,-0.4 0.303 94.6 82.2-102.1 5.7 -7.0 9.5 0.0 50 50 A R E < -b 32 0A 19 -3,-1.0 18,-2.6 -19,-0.2 2,-0.4 -0.930 47.2-176.0-120.9 137.4 -4.9 7.0 2.0 51 51 A V E -bC 33 67A 0 -19,-2.2 -17,-2.5 -2,-0.4 2,-0.4 -0.939 18.8-149.2-128.2 109.2 -3.3 3.7 1.2 52 52 A R E -bC 34 66A 41 14,-0.7 2,-0.7 -2,-0.4 14,-0.5 -0.632 4.8-158.7 -74.4 131.6 -1.6 1.9 4.1 53 53 A V E -b 35 0A 0 -19,-3.0 -17,-2.5 -2,-0.4 2,-0.5 -0.937 9.9-155.8-114.1 99.5 1.4 -0.2 3.0 54 54 A W E -b 36 0A 61 -2,-0.7 8,-2.9 9,-0.3 9,-0.7 -0.712 18.9-175.6 -85.5 124.7 1.9 -2.7 5.8 55 55 A V E -bD 37 61A 10 -19,-2.3 -17,-2.9 -2,-0.5 6,-0.2 -0.812 23.8-119.2-124.8 156.3 5.5 -4.0 5.8 56 56 A T > - 0 0 37 4,-2.3 3,-2.0 -2,-0.3 -1,-0.1 -0.221 49.7 -88.0 -73.0 178.1 7.6 -6.5 7.6 57 57 A E T 3 S+ 0 0 143 1,-0.3 -1,-0.1 2,-0.1 -20,-0.0 0.717 132.2 53.7 -63.4 -19.0 10.7 -5.6 9.8 58 58 A R T 3 S- 0 0 215 2,-0.1 -1,-0.3 -42,-0.0 -2,-0.0 0.340 123.3-106.0 -96.7 3.2 12.7 -5.8 6.5 59 59 A G S < S+ 0 0 26 -3,-2.0 -42,-2.7 1,-0.3 2,-0.4 0.649 70.7 144.6 85.5 18.5 10.4 -3.4 4.7 60 60 A I B -E 16 0B 58 -44,-0.2 -4,-2.3 -43,-0.1 -1,-0.3 -0.709 58.0-107.6 -94.0 136.2 8.6 -6.0 2.5 61 61 A V B +D 55 0A 3 -46,-3.2 -47,-2.8 -2,-0.4 -6,-0.2 -0.454 40.0 174.3 -66.2 126.6 4.9 -5.5 1.8 62 62 A A + 0 0 34 -8,-2.9 -7,-0.2 -2,-0.2 -1,-0.1 0.317 60.3 42.0-122.3 1.7 3.0 -8.1 3.7 63 63 A R S S- 0 0 128 -9,-0.7 -9,-0.3 -51,-0.1 -1,-0.1 -0.969 95.0 -94.2-142.7 152.2 -0.7 -7.2 3.1 64 64 A P - 0 0 68 0, 0.0 2,-0.1 0, 0.0 -53,-0.1 -0.514 45.7-123.5 -70.1 116.0 -2.4 -6.1 -0.2 65 65 A P + 0 0 0 0, 0.0 -56,-2.8 0, 0.0 2,-0.3 -0.417 41.4 169.1 -63.2 134.3 -2.4 -2.3 -0.2 66 66 A T E -AC 8 52A 66 -14,-0.5 -14,-0.7 -58,-0.2 -58,-0.2 -0.987 39.7 -93.4-144.5 150.3 -5.9 -0.9 -0.5 67 67 A I E C 0 51A 17 -60,-2.5 -16,-0.2 -2,-0.3 -19,-0.1 -0.357 360.0 360.0 -58.9 136.6 -7.5 2.6 -0.2 68 68 A G 0 0 18 -18,-2.6 -16,-0.3 -21,-0.6 -22,-0.2 -0.723 360.0 360.0 159.1 360.0 -8.9 3.3 3.3