==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ACID PROTEINASE ZYMOGEN) 03-SEP-91 3PSG . COMPND 2 MOLECULE: PEPSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR J.A.HARTSUCK,G.KOELSCH,S.J.REMINGTON . 365 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 27.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 41 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 2 0 0 3 0 0 1 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 1 3 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 . 3 6 2 3 4 1 1 0 1 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 2 0 2 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 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 1PA L 0 0 145 0, 0.0 2,-0.9 0, 0.0 207,-0.1 0.000 360.0 360.0 360.0 146.1 56.7 -8.6 3.4 2 2PA V E +A 207 0A 40 205,-0.6 205,-2.0 2,-0.0 2,-0.4 -0.756 360.0 176.0 -87.9 106.7 57.5 -7.9 7.0 3 3PA K E -A 206 0A 72 -2,-0.9 203,-0.2 203,-0.2 201,-0.0 -0.948 24.1-163.1-113.3 130.7 54.8 -9.7 8.9 4 4PA V E -A 205 0A 3 201,-2.9 201,-2.4 -2,-0.4 2,-0.1 -0.959 24.6-138.4-109.8 110.6 54.4 -10.1 12.7 5 5PA P E -A 204 0A 87 0, 0.0 56,-0.4 0, 0.0 2,-0.4 -0.487 15.6-152.8 -66.3 139.7 52.0 -13.0 13.4 6 6PA L E -A 203 0A 14 197,-3.4 197,-1.1 -2,-0.1 2,-0.4 -0.926 1.0-151.4-116.5 140.6 49.4 -12.4 16.2 7 7PA V E -F 59 0B 79 52,-3.4 52,-2.2 -2,-0.4 2,-0.6 -0.901 13.3-133.2-111.0 139.3 47.8 -15.1 18.4 8 8PA R E +F 58 0B 123 -2,-0.4 2,-0.3 50,-0.2 50,-0.2 -0.819 36.8 167.7 -89.4 119.8 44.3 -14.7 20.0 9 9PA K - 0 0 75 48,-2.9 2,-0.1 -2,-0.6 -2,-0.0 -0.877 43.1 -79.3-127.3 164.8 44.4 -15.8 23.7 10 10PA K - 0 0 111 -2,-0.3 46,-0.1 1,-0.1 5,-0.0 -0.448 58.3-110.4 -67.5 146.8 42.0 -15.5 26.7 11 11PA S > - 0 0 3 -2,-0.1 4,-1.9 44,-0.1 5,-0.1 0.003 17.4-108.1 -72.0 166.7 42.2 -12.1 28.2 12 12PA L H > S+ 0 0 1 41,-0.5 4,-2.0 44,-0.4 5,-0.2 0.911 122.3 53.4 -59.1 -41.1 43.5 -10.8 31.6 13 13PA R H > S+ 0 0 19 41,-2.5 4,-3.2 1,-0.2 3,-0.2 0.957 106.3 51.1 -59.3 -50.1 39.8 -10.3 32.6 14 14PA Q H > S+ 0 0 60 40,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.874 110.7 49.5 -56.1 -37.2 39.0 -13.9 31.7 15 15PA N H X S+ 0 0 39 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.817 109.8 50.3 -72.1 -32.1 41.9 -15.1 33.8 16 16PA L H ><>S+ 0 0 2 -4,-2.0 5,-2.3 -3,-0.2 3,-0.9 0.932 111.5 49.0 -71.6 -43.4 40.8 -13.0 36.7 17 17PA I H ><5S+ 0 0 44 -4,-3.2 3,-2.4 1,-0.3 -2,-0.2 0.956 107.9 53.8 -57.5 -49.6 37.3 -14.4 36.5 18 18PA K H 3<5S+ 0 0 168 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.643 113.3 42.8 -61.6 -17.9 38.6 -18.0 36.3 19 19PA D T <<5S- 0 0 70 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.237 114.4-119.6-109.4 7.6 40.6 -17.4 39.5 20 20PA G T < 5S+ 0 0 61 -3,-2.4 -3,-0.2 -4,-0.1 4,-0.2 0.958 77.6 118.9 53.5 61.7 37.7 -15.6 41.0 21 21PA K >< + 0 0 73 -5,-2.3 4,-1.3 2,-0.1 -4,-0.2 0.597 48.2 77.6-125.1 -20.7 39.5 -12.4 41.6 22 22PA L H > S+ 0 0 1 -6,-0.5 4,-2.3 1,-0.2 5,-0.2 0.871 85.6 61.5 -59.7 -42.4 37.6 -9.9 39.6 23 23PA K H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.946 105.4 44.9 -49.9 -60.6 34.7 -9.4 42.0 24 24PA D H > S+ 0 0 132 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.877 112.8 53.3 -51.7 -44.6 36.7 -8.1 45.0 25 25PA F H X S+ 0 0 16 -4,-1.3 4,-0.6 1,-0.2 -1,-0.2 0.927 110.7 45.7 -58.3 -47.7 38.7 -5.8 42.7 26 26PA L H < S+ 0 0 53 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.848 106.3 58.9 -69.1 -32.2 35.6 -4.2 41.2 27 27PA K H < S+ 0 0 89 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.939 116.1 34.2 -65.3 -39.1 33.9 -3.8 44.5 28 28PA T H < S+ 0 0 110 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.2 0.328 118.4 52.6 -97.6 5.2 36.9 -1.6 45.8 29 29PA H < - 0 0 40 -4,-0.6 2,-0.7 -3,-0.5 17,-0.1 -1.000 67.4-139.0-139.7 151.2 37.8 0.2 42.5 30 30PA K - 0 0 119 -2,-0.3 2,-0.5 2,-0.0 -4,-0.1 -0.874 24.4-148.6-110.0 104.1 36.0 2.2 39.9 31 31PA H + 0 0 36 -2,-0.7 3,-0.1 -5,-0.1 -2,-0.0 -0.539 21.8 171.4 -76.2 124.5 37.2 1.3 36.4 32 32PA N > - 0 0 31 -2,-0.5 3,-3.2 1,-0.1 4,-0.2 -0.841 21.5-162.5-137.7 101.2 37.1 3.9 33.8 33 33PA P G > S+ 0 0 14 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.698 85.7 79.1 -53.4 -21.0 38.8 3.1 30.5 34 34PA A G >> S+ 0 0 0 1,-0.3 4,-1.2 2,-0.2 3,-1.0 0.713 75.0 76.9 -61.7 -19.6 38.8 6.8 29.9 35 35PA S G <4 S+ 0 0 6 -3,-3.2 -1,-0.3 6,-0.2 7,-0.1 0.780 84.1 62.0 -66.3 -20.8 41.8 7.0 32.1 36 36PA K G <4 S+ 0 0 13 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.743 111.9 37.2 -73.0 -24.5 44.2 5.6 29.4 37 37PA Y T <4 S+ 0 0 18 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.618 113.6 51.6-104.5 -16.4 43.5 8.5 27.1 38 38PA F >< - 0 0 42 -4,-1.2 3,-2.7 1,-0.1 4,-0.3 -0.949 60.1-148.9-133.0 123.1 43.2 11.5 29.5 39 39PA P T 3 S+ 0 0 146 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 0.511 103.9 55.7 -55.7 -7.7 45.7 12.7 32.2 40 40PA E T 3 S+ 0 0 80 1,-0.1 -5,-0.1 292,-0.0 80,-0.0 0.565 93.1 64.3-104.4 -19.5 42.6 13.9 33.9 41 41PA A S < S+ 0 0 16 -3,-2.7 -6,-0.2 -7,-0.3 -1,-0.1 0.282 75.5 135.2 -90.1 5.9 40.5 10.7 34.1 42 42PA A - 0 0 43 -4,-0.3 2,-0.3 -7,-0.1 79,-0.2 0.063 61.5-107.2 -52.6 162.1 43.0 8.9 36.4 43 43PA A - 0 0 49 77,-1.1 3,-0.3 1,-0.1 -1,-0.1 -0.686 20.1-138.8 -88.3 145.3 42.1 6.8 39.5 44 44PA L S S+ 0 0 94 1,-0.3 2,-0.7 -2,-0.3 -1,-0.1 0.899 99.2 37.2 -74.1 -37.9 42.9 8.6 42.7 45 1 A I S S+ 0 0 62 -3,-0.1 2,-0.6 77,-0.0 -1,-0.3 -0.899 77.4 174.1-118.7 100.9 44.1 5.4 44.2 46 2 A G + 0 0 32 -2,-0.7 77,-0.3 -3,-0.3 75,-0.1 -0.829 20.5 147.8-115.4 93.9 45.8 3.4 41.5 47 3 A D + 0 0 92 -2,-0.6 107,-0.3 1,-0.2 75,-0.1 0.340 68.6 66.5 -99.5 2.8 47.5 0.1 42.7 48 4 A E > + 0 0 13 73,-0.8 3,-2.2 105,-0.1 4,-0.2 -0.629 56.7 178.2-127.3 81.5 46.9 -1.7 39.4 49 5 A P T 3 S+ 0 0 6 0, 0.0 70,-0.4 0, 0.0 72,-0.3 0.671 82.2 50.5 -54.4 -21.8 48.9 -0.0 36.6 50 6 A L T > S+ 0 0 0 102,-0.4 3,-2.4 1,-0.2 72,-0.1 0.233 70.6 114.6-105.7 15.2 47.7 -2.6 34.0 51 7 A E G X S+ 0 0 12 -3,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.841 70.4 64.1 -47.9 -43.9 43.9 -2.3 34.7 52 8 A N G 3 S+ 0 0 17 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.411 94.5 60.7 -65.1 -1.1 43.4 -0.8 31.2 53 9 A Y G X + 0 0 0 -3,-2.4 3,-0.9 1,-0.1 -41,-0.5 0.093 66.5 112.0-114.5 24.2 44.6 -4.1 29.6 54 10 A L T < S+ 0 0 1 -3,-1.5 -41,-2.5 1,-0.2 -40,-0.4 0.860 84.3 40.2 -56.8 -39.6 41.8 -6.2 31.1 55 11 A D T 3 S+ 0 0 21 -3,-0.2 204,-0.7 202,-0.2 -1,-0.2 0.284 78.9 125.3-103.2 14.2 40.3 -6.7 27.7 56 12 A T < + 0 0 2 -3,-0.9 -44,-0.4 202,-0.2 -43,-0.1 -0.500 26.0 172.8 -72.7 138.1 43.2 -7.2 25.3 57 13 A E + 0 0 17 -2,-0.2 -48,-2.9 -46,-0.1 2,-0.4 0.610 50.0 70.4-119.1 -19.8 43.0 -10.4 23.2 58 14 A Y E +F 8 0B 13 198,-0.3 2,-0.3 -50,-0.2 17,-0.3 -0.912 54.6 179.3-109.2 137.9 45.8 -10.5 20.6 59 15 A F E -F 7 0B 2 -52,-2.2 -52,-3.4 -2,-0.4 2,-0.3 -0.964 8.8-168.9-135.4 152.7 49.5 -10.9 21.3 60 16 A G E -G 73 0C 7 13,-2.5 13,-3.5 -2,-0.3 2,-0.4 -0.807 20.2-120.0-130.9 171.8 52.8 -11.1 19.3 61 17 A T E +G 72 0C 78 -56,-0.4 75,-0.4 -2,-0.3 2,-0.3 -0.903 23.9 179.6-122.2 143.9 56.3 -12.0 20.2 62 18 A I E -G 71 0C 3 9,-2.3 9,-2.2 -2,-0.4 2,-0.4 -0.905 19.2-134.8-134.4 162.5 59.6 -10.0 20.0 63 19 A G E -GH 70 134C 4 71,-2.5 71,-2.6 -2,-0.3 2,-0.4 -0.919 16.5-165.6-120.1 146.5 63.2 -10.8 20.7 64 20 A I E > +GH 69 133C 0 5,-2.0 5,-2.8 -2,-0.4 69,-0.2 -0.999 45.2 0.4-135.3 134.4 65.6 -8.5 22.6 65 21 A G T 5S- 0 0 8 67,-2.3 40,-0.1 -2,-0.4 69,-0.1 -0.185 90.4 -38.5 92.2-178.7 69.4 -8.7 22.9 66 22 A T T 5S+ 0 0 56 1,-0.2 40,-2.9 2,-0.1 41,-0.3 -0.973 136.3 20.6-132.2 113.0 72.2 -10.8 21.6 67 23 A P T 5S- 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.669 120.3-103.3 -73.1 165.0 71.5 -13.6 21.6 68 24 A A T 5 - 0 0 55 -2,-0.1 2,-0.4 -5,-0.1 -3,-0.2 -0.294 26.7-159.0 -63.3 135.7 67.7 -12.9 21.6 69 25 A Q E < -G 64 0C 34 -5,-2.8 -5,-2.0 -2,-0.0 2,-0.3 -0.921 26.2-131.3-105.3 130.3 65.6 -13.3 24.8 70 26 A D E +G 63 0C 100 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.642 26.5 177.1 -92.7 155.3 61.9 -13.6 23.8 71 27 A F E -G 62 0C 2 -9,-2.2 -9,-2.3 -2,-0.3 2,-0.6 -0.996 28.4-128.3-149.2 145.4 58.8 -11.9 25.1 72 28 A T E +G 61 0C 36 -2,-0.3 90,-3.3 -11,-0.2 91,-1.6 -0.835 40.8 176.5 -91.7 128.1 55.1 -11.9 24.5 73 29 A V E -Gi 60 163C 0 -13,-3.5 -13,-2.5 -2,-0.6 2,-0.5 -0.914 33.4-115.3-134.4 162.6 53.9 -8.3 24.0 74 30 A I E - i 0 164C 1 89,-1.7 91,-3.1 -2,-0.3 2,-1.2 -0.817 21.2-141.6 -91.5 127.8 50.8 -6.3 23.2 75 31 A F E - i 0 165C 12 -2,-0.5 2,-0.7 -17,-0.3 91,-0.2 -0.768 32.4-171.6 -88.8 96.0 51.0 -4.4 19.9 76 32 A D E > - i 0 166C 0 89,-1.4 91,-2.7 -2,-1.2 3,-1.4 -0.794 29.8-176.4 -99.9 104.8 49.2 -1.3 21.2 77 33 A T T 3 S+ 0 0 0 -2,-0.7 153,-0.4 1,-0.3 92,-0.2 0.579 86.7 66.6 -71.6 -3.9 48.1 1.5 18.9 78 34 A G T 3 S+ 0 0 2 151,-0.1 2,-0.3 90,-0.1 -1,-0.3 0.248 105.4 39.4-101.7 18.0 46.9 3.4 22.0 79 35 A S < - 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