==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ACID PROTEINASE ZYMOGEN) 23-JAN-91 2PSG . COMPND 2 MOLECULE: PEPSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.N.G.JAMES,A.R.SIELECKI . 370 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 27.6 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 . 0 0.0 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 . 37 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 8.6 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 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 . 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 . 1 7 1 7 2 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 0 141 0, 0.0 2,-0.9 0, 0.0 211,-0.1 0.000 360.0 360.0 360.0 155.2 -4.7 -6.2 40.9 2 2PA V E +A 211 0A 37 209,-0.6 209,-2.2 2,-0.0 2,-0.4 -0.845 360.0 175.6 -89.6 108.8 -5.5 -5.6 37.1 3 3PA K E -A 210 0A 105 -2,-0.9 207,-0.2 207,-0.2 205,-0.0 -0.933 23.9-160.4-118.5 138.2 -2.7 -7.4 35.3 4 4PA V E -A 209 0A 2 205,-3.0 205,-2.3 -2,-0.4 2,-0.1 -0.984 25.0-136.5-112.3 110.1 -2.4 -7.8 31.5 5 5PA P E -A 208 0A 100 0, 0.0 56,-0.5 0, 0.0 2,-0.4 -0.409 17.3-153.1 -67.7 142.7 0.0 -10.6 30.9 6 6PA L - 0 0 13 201,-2.5 200,-0.5 54,-0.1 201,-0.5 -0.909 1.9-153.1-117.9 143.3 2.6 -9.9 28.1 7 7PA V E -F 59 0B 74 52,-3.1 52,-2.6 -2,-0.4 2,-0.5 -0.950 14.2-131.7-120.1 139.3 4.2 -12.6 25.9 8 8PA R E +F 58 0B 56 -2,-0.4 2,-0.3 50,-0.2 50,-0.2 -0.826 35.9 173.3 -92.2 122.6 7.6 -12.2 24.3 9 9PA K - 0 0 74 48,-3.1 2,-0.1 -2,-0.5 194,-0.0 -0.858 42.2 -82.6-127.2 164.4 7.5 -13.2 20.6 10 10PA K - 0 0 120 -2,-0.3 46,-0.1 1,-0.1 5,-0.0 -0.487 59.5-113.5 -65.8 134.3 9.9 -13.1 17.6 11 11PA S > - 0 0 3 -2,-0.1 4,-1.9 44,-0.1 44,-0.1 -0.071 17.7-107.0 -67.5 167.2 9.7 -9.6 16.2 12 12PA L H > S+ 0 0 1 41,-0.6 4,-2.4 44,-0.4 3,-0.2 0.928 123.1 55.8 -61.2 -44.4 8.4 -8.5 12.8 13 13PA R H > S+ 0 0 22 41,-3.0 4,-3.1 1,-0.2 5,-0.2 0.924 106.5 49.9 -53.7 -49.3 12.1 -7.9 11.8 14 14PA Q H > S+ 0 0 48 40,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.839 111.7 49.4 -58.1 -38.4 12.9 -11.6 12.7 15 15PA N H X S+ 0 0 43 -4,-1.9 4,-1.6 -3,-0.2 -1,-0.2 0.853 110.6 48.0 -73.0 -38.5 10.0 -12.7 10.6 16 16PA L H <>S+ 0 0 2 -4,-2.4 5,-2.0 2,-0.2 3,-0.5 0.938 113.2 49.7 -65.9 -48.5 11.0 -10.6 7.5 17 17PA I H ><5S+ 0 0 28 -4,-3.1 3,-2.2 1,-0.3 -2,-0.2 0.931 109.9 50.6 -51.7 -53.2 14.5 -12.0 7.9 18 18PA K H 3<5S+ 0 0 169 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.814 112.4 46.4 -56.0 -35.5 13.2 -15.5 8.1 19 19PA D T 3<5S- 0 0 77 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.173 111.9-120.3 -92.8 11.7 11.1 -15.0 5.0 20 20PA G T < 5S+ 0 0 50 -3,-2.2 4,-0.4 1,-0.1 -3,-0.2 0.601 81.2 118.3 58.3 16.3 14.1 -13.4 3.1 21 21PA K >< + 0 0 105 -5,-2.0 4,-1.2 -6,-0.2 -4,-0.2 0.626 51.6 72.4 -87.0 -15.9 12.0 -10.2 2.7 22 22PA L H > S+ 0 0 0 -6,-0.5 4,-2.3 2,-0.2 5,-0.2 0.897 84.1 60.6 -71.3 -46.6 14.1 -7.6 4.6 23 23PA K H > S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.868 107.7 48.1 -48.8 -46.7 17.2 -7.1 2.4 24 24PA D H > S+ 0 0 97 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.908 109.8 51.9 -59.5 -45.2 15.0 -5.8 -0.5 25 25PA F H X S+ 0 0 16 -4,-1.2 4,-0.9 1,-0.2 3,-0.5 0.952 111.0 47.0 -54.6 -53.5 13.1 -3.5 1.8 26 26PA L H < S+ 0 0 55 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.800 105.7 60.7 -60.4 -29.9 16.3 -1.9 3.2 27 27PA K H < S+ 0 0 151 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.864 115.6 32.4 -65.7 -40.7 17.6 -1.5 -0.4 28 28PA T H < S+ 0 0 105 -4,-1.6 2,-0.3 -3,-0.5 -2,-0.2 0.374 119.2 49.6-101.5 6.5 14.7 0.7 -1.3 29 29PA H < - 0 0 20 -4,-0.9 2,-0.6 -3,-0.3 -1,-0.0 -0.980 66.5-136.5-144.0 150.0 14.0 2.5 1.9 30 30PA K - 0 0 173 -2,-0.3 2,-0.6 15,-0.1 14,-0.2 -0.950 24.4-145.0-106.3 117.5 15.9 4.4 4.6 31 31PA H + 0 0 41 -2,-0.6 3,-0.1 -5,-0.1 -2,-0.0 -0.723 24.7 170.7 -85.2 120.8 14.7 3.3 8.1 32 32PA N > - 0 0 36 -2,-0.6 3,-2.5 1,-0.1 301,-0.1 -0.870 19.8-163.9-133.3 98.5 14.8 6.2 10.6 33 33PA P G > S+ 0 0 15 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.668 83.6 77.9 -54.4 -24.7 13.1 5.4 13.9 34 34PA A G >> S+ 0 0 0 1,-0.3 4,-1.3 2,-0.2 3,-1.0 0.706 75.4 77.1 -60.5 -19.0 13.0 9.1 14.7 35 35PA S G <4 S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 7,-0.1 0.702 84.4 63.1 -63.3 -23.1 10.0 9.3 12.3 36 36PA K G <4 S+ 0 0 14 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.774 113.9 32.8 -71.4 -28.0 7.8 7.8 15.1 37 37PA Y T <4 S+ 0 0 18 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.671 115.6 51.7-104.1 -15.9 8.4 10.9 17.3 38 38PA F >< - 0 0 29 -4,-1.3 3,-1.4 1,-0.1 4,-0.2 -0.989 55.0-155.1-135.1 123.8 8.8 13.8 14.9 39 39PA P G > S+ 0 0 110 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.906 100.5 60.0 -51.1 -47.0 6.5 15.0 12.1 40 40PA E G 3 S+ 0 0 116 1,-0.3 -5,-0.1 -3,-0.1 295,-0.0 0.752 102.1 53.1 -55.6 -31.7 9.5 16.6 10.5 41 41PA A G < S+ 0 0 20 -3,-1.4 -1,-0.3 -7,-0.2 -6,-0.2 0.296 78.3 142.3 -92.2 7.9 11.3 13.2 10.2 42 42PA A < - 0 0 54 -3,-2.1 79,-0.2 -4,-0.2 78,-0.1 -0.162 60.3 -86.8 -54.4 138.7 8.4 11.5 8.4 43 43PA A - 0 0 35 77,-3.2 3,-0.2 1,-0.1 -1,-0.1 -0.054 18.6-139.7 -50.1 136.5 9.4 8.9 5.7 44 44PA L S S+ 0 0 158 1,-0.3 2,-0.6 -14,-0.2 -1,-0.1 0.919 101.5 36.8 -63.4 -45.3 10.0 10.0 2.1 45 1 A I S S- 0 0 86 -15,-0.1 2,-0.8 3,-0.0 3,-0.4 -0.937 70.7-172.6-117.8 107.3 8.2 6.8 1.0 46 2 A G + 0 0 34 -2,-0.6 77,-0.3 -3,-0.2 75,-0.1 -0.469 45.0 118.9 -92.2 57.3 5.3 5.9 3.2 47 3 A D S S+ 0 0 77 -2,-0.8 107,-0.3 1,-0.2 -1,-0.2 0.497 71.9 52.9-100.9 -4.5 4.4 2.5 1.8 48 4 A E > - 0 0 14 73,-0.8 3,-2.1 -3,-0.4 -1,-0.2 -0.708 63.1-179.0-127.2 81.1 5.0 0.5 5.1 49 5 A P T 3 S+ 0 0 3 0, 0.0 70,-0.4 0, 0.0 72,-0.3 0.626 81.5 51.2 -53.7 -18.0 3.0 2.2 7.8 50 6 A L T > S+ 0 0 0 102,-0.4 3,-2.1 1,-0.2 72,-0.1 0.105 70.2 113.8-107.1 16.0 4.2 -0.2 10.4 51 7 A E G X + 0 0 2 -3,-2.1 3,-1.4 1,-0.3 -1,-0.2 0.834 69.9 63.6 -55.9 -38.3 7.9 0.0 9.7 52 8 A N G 3 S+ 0 0 18 -3,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.409 95.8 62.3 -69.9 2.1 8.5 1.6 13.2 53 9 A Y G X + 0 0 1 -3,-2.1 3,-1.0 1,-0.2 -41,-0.6 0.059 67.0 110.3-109.8 17.7 7.3 -1.7 14.8 54 10 A L T < S+ 0 0 1 -3,-1.4 -41,-3.0 1,-0.2 -40,-0.3 0.867 83.7 39.2 -60.7 -35.2 10.0 -3.9 13.3 55 11 A D T 3 S+ 0 0 17 -3,-0.2 208,-0.9 -43,-0.2 -1,-0.2 0.222 80.5 125.7-102.7 14.0 11.7 -4.4 16.7 56 12 A T < + 0 0 1 -3,-1.0 -44,-0.4 206,-0.2 206,-0.1 -0.436 25.8 170.2 -70.4 138.4 8.6 -4.8 19.0 57 13 A E + 0 0 26 -2,-0.2 -48,-3.1 1,-0.1 2,-0.4 0.613 48.9 72.2-126.3 -11.2 8.8 -8.1 21.1 58 14 A Y E +F 8 0B 8 202,-0.3 17,-0.3 -50,-0.2 2,-0.3 -0.937 53.7 173.8-116.2 138.5 6.1 -8.0 23.7 59 15 A F E -F 7 0B 0 -52,-2.6 -52,-3.1 -2,-0.4 2,-0.2 -0.942 10.6-166.6-139.0 155.5 2.4 -8.4 23.1 60 16 A G E -G 73 0C 4 13,-2.7 13,-3.1 -2,-0.3 2,-0.3 -0.781 22.0-113.2-132.1 174.0 -0.8 -8.8 25.0 61 17 A T E +G 72 0C 82 -56,-0.5 75,-0.4 -2,-0.2 2,-0.3 -0.888 26.1 177.4-115.5 145.3 -4.4 -9.8 24.3 62 18 A I E -G 71 0C 2 9,-2.1 9,-2.1 -2,-0.3 2,-0.4 -0.911 18.4-142.4-138.5 156.9 -7.6 -7.7 24.4 63 19 A G E -GH 70 134C 3 71,-2.1 71,-2.7 -2,-0.3 2,-0.4 -0.927 15.4-163.2-121.5 149.9 -11.2 -8.6 23.5 64 20 A I E > +GH 69 133C 0 5,-2.3 5,-2.4 -2,-0.4 69,-0.2 -0.995 44.8 4.7-136.5 131.9 -13.6 -6.2 21.8 65 21 A G T 5S- 0 0 6 67,-2.7 40,-0.1 -2,-0.4 66,-0.1 -0.239 92.0 -39.8 94.4 178.5 -17.3 -6.3 21.5 66 22 A T T 5S+ 0 0 58 1,-0.2 40,-2.4 2,-0.1 41,-0.2 -0.963 137.0 20.5-126.9 107.2 -20.2 -8.5 22.8 67 23 A P T 5S- 0 0 102 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.679 120.4-105.9 -71.2 164.7 -19.4 -11.3 22.8 68 24 A A T 5 - 0 0 49 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.384 23.5-153.5 -69.9 141.9 -15.7 -10.4 22.7 69 25 A Q E < -G 64 0C 33 -5,-2.4 -5,-2.3 -2,-0.1 2,-0.2 -0.948 25.5-131.9-107.9 128.1 -13.5 -10.8 19.6 70 26 A D E +G 63 0C 97 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.585 27.0 176.9 -89.8 148.5 -9.9 -11.4 20.6 71 27 A F E -G 62 0C 2 -9,-2.1 -9,-2.1 -2,-0.2 2,-0.6 -0.985 28.8-128.8-147.2 147.1 -6.8 -9.5 19.2 72 28 A T E +G 61 0C 30 -2,-0.3 90,-3.3 -11,-0.2 91,-1.6 -0.874 40.2 178.7-100.0 128.4 -3.2 -9.6 19.9 73 29 A V E -Gi 60 163C 0 -13,-3.1 -13,-2.7 -2,-0.6 2,-0.5 -0.932 33.5-118.0-135.0 155.6 -1.9 -6.0 20.4 74 30 A I E - i 0 164C 1 89,-1.5 91,-3.2 -2,-0.3 2,-1.1 -0.804 22.4-140.4 -87.9 133.0 1.2 -4.1 21.2 75 31 A F E - i 0 165C 9 -2,-0.5 2,-0.7 -17,-0.3 91,-0.2 -0.792 33.7-170.4 -95.3 94.6 0.9 -2.1 24.5 76 32 A D E > - i 0 166C 0 89,-1.9 91,-2.4 -2,-1.1 3,-1.3 -0.804 32.1-178.0-100.4 101.9 2.7 1.0 23.2 77 33 A T T 3 S+ 0 0 0 -2,-0.7 157,-0.4 1,-0.2 92,-0.2 0.593 86.2 67.2 -70.9 -7.0 3.8 3.9 25.5 78 34 A G T 3 S+ 0 0 2 155,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.395 106.4 33.7 -94.5 9.6 5.1 5.6 22.3 79 35 A S < - 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