==== 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 ASPARTYL PROTEASE 23-JUN-97 1AM5 . COMPND 2 MOLECULE: PEPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GADUS MORHUA; . AUTHOR S.KARLSEN,E.HOUGH,R.L.OLSEN . 324 3 3 2 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 32.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0.3 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 . 32 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 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 RESIDUES PER ALPHA HELIX . 1 1 1 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 PARALLEL BRIDGES PER LADDER . 2 4 4 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 2 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 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 R 0 0 175 0, 0.0 2,-0.3 0, 0.0 167,-0.2 0.000 360.0 360.0 360.0 -62.1 3.0 22.8 157.8 2 2 A V E -A 167 0A 82 165,-1.5 165,-2.6 167,-0.1 2,-0.3 -0.982 360.0-152.4-163.3 173.7 5.0 19.9 156.1 3 3 A T E -A 166 0A 52 -2,-0.3 2,-0.3 163,-0.2 163,-0.2 -0.962 8.2-157.0-143.0 168.2 5.6 17.7 153.0 4 4 A E E -A 165 0A 39 161,-2.0 161,-2.0 -2,-0.3 2,-0.2 -0.986 25.1-113.2-150.6 151.2 6.8 14.4 152.1 5 5 A Q E -A 164 0A 125 -2,-0.3 159,-0.3 159,-0.2 2,-0.3 -0.549 39.6-170.2 -75.1 135.4 8.3 12.5 149.3 6 6 A M E -A 163 0A 8 157,-2.4 157,-0.6 -2,-0.2 156,-0.4 -0.827 22.7 -92.8-128.3 172.2 5.8 9.8 148.1 7 7 A K E -F 15 0B 62 8,-3.2 8,-2.8 -2,-0.3 2,-0.5 -0.634 20.6-152.4-103.1 158.3 6.3 7.0 145.6 8 8 A N E -F 14 0B 20 -2,-0.3 2,-0.8 6,-0.2 6,-0.2 -0.938 2.8-162.5-113.4 116.7 5.9 6.6 141.8 9 9 A E E >> S-F 13 0B 103 4,-4.3 3,-3.3 -2,-0.5 4,-1.6 -0.894 77.5 -43.7-103.0 112.4 5.2 3.1 140.3 10 10 A A T 34 S- 0 0 58 -2,-0.8 -1,-0.2 1,-0.3 4,-0.1 0.725 101.2 -69.0 42.6 36.3 6.0 3.5 136.6 11 11 A D T 34 S+ 0 0 14 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.587 128.9 85.9 58.9 17.2 4.2 6.9 136.2 12 12 A T T <4 S+ 0 0 61 -3,-3.3 2,-0.4 1,-0.4 -2,-0.2 0.733 87.2 37.0-106.1 -43.7 0.9 5.1 136.8 13 13 A E E < -F 9 0B 27 -4,-1.6 -4,-4.3 206,-0.1 2,-0.5 -0.999 56.1-172.3-118.5 122.5 0.6 5.0 140.5 14 14 A Y E +F 8 0B 5 -2,-0.4 17,-1.3 -6,-0.2 2,-0.3 -0.976 27.3 156.8-119.6 110.1 1.6 7.7 142.9 15 15 A Y E +FG 7 30B 45 -8,-2.8 -8,-3.2 -2,-0.5 15,-0.3 -0.954 10.0 164.6-133.3 154.1 1.2 6.3 146.4 16 16 A G E - G 0 29B 0 13,-3.1 13,-2.9 -2,-0.3 2,-0.2 -0.848 32.3 -55.5-156.0-165.3 2.8 7.2 149.8 17 17 A V E + G 0 28B 31 -2,-0.3 75,-0.4 11,-0.2 2,-0.3 -0.407 35.5 157.4 -98.0 159.3 2.5 6.8 153.5 18 18 A I E - G 0 27B 4 9,-1.3 9,-2.5 -2,-0.2 2,-0.3 -0.969 26.2-138.1-153.2 155.2 0.1 7.3 156.4 19 19 A S E -HG 90 26B 30 71,-1.7 71,-2.2 -2,-0.3 2,-0.3 -0.966 15.3-172.5-123.7 136.9 -0.2 5.7 159.9 20 20 A I E > +HG 89 25B 0 5,-3.2 5,-2.9 -2,-0.3 69,-0.2 -0.973 44.4 25.9-131.1 150.0 -3.3 4.6 161.8 21 21 A G T 5S- 0 0 6 67,-1.2 40,-0.1 -2,-0.3 66,-0.1 -0.175 86.0 -64.0 99.3 171.5 -3.8 3.4 165.3 22 22 A T T 5S+ 0 0 55 1,-0.4 40,-2.4 2,-0.1 41,-0.3 -0.937 133.3 26.6-132.7 114.4 -2.0 3.8 168.8 23 23 A P T 5S- 0 0 96 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 0.652 123.6-104.8 -63.3 151.6 0.8 2.6 168.5 24 24 A P T 5 - 0 0 92 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.315 25.4-159.6 -65.4 122.6 0.8 3.3 164.7 25 25 A E E < -G 20 0B 36 -5,-2.9 -5,-3.2 -2,-0.3 2,-0.3 -0.858 26.8-138.2 -92.5 122.2 0.3 0.7 162.0 26 26 A S E -G 19 0B 65 -2,-0.5 2,-0.3 -7,-0.3 -7,-0.2 -0.684 23.5-178.5 -96.9 135.4 1.8 2.2 158.7 27 27 A F E -G 18 0B 1 -9,-2.5 -9,-1.3 -2,-0.3 2,-0.6 -0.989 28.6-128.4-136.4 146.5 0.2 1.8 155.2 28 28 A K E -G 17 0B 63 -2,-0.3 90,-3.1 -11,-0.2 91,-1.2 -0.833 36.6-178.4 -92.8 114.6 0.9 2.8 151.6 29 29 A V E -Gi 16 119B 0 -13,-2.9 -13,-3.1 -2,-0.6 2,-0.5 -0.918 31.4-115.3-125.1 145.9 -2.2 4.6 150.3 30 30 A I E -Gi 15 120B 6 89,-2.1 91,-2.2 -2,-0.4 2,-1.3 -0.652 28.9-131.6 -75.2 128.5 -2.9 6.1 146.8 31 31 A F E - i 0 121B 5 -17,-1.3 2,-0.7 -2,-0.5 91,-0.1 -0.695 34.6-170.5 -81.6 90.4 -3.2 9.9 147.2 32 32 A D E > + i 0 122B 19 89,-1.7 91,-3.3 -2,-1.3 3,-1.1 -0.710 31.1 175.0-106.7 109.4 -6.5 10.4 145.2 33 33 A T T 3 S+ 0 0 0 -2,-0.7 157,-0.5 1,-0.2 181,-0.2 0.746 83.6 64.2 -78.1 -12.4 -8.0 13.7 144.2 34 34 A G T 3 S+ 0 0 12 155,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.248 106.3 39.8 -97.6 6.9 -10.7 12.0 142.2 35 35 A S < - 0 0 19 -3,-1.1 89,-2.8 86,-0.1 88,-0.5 -0.965 60.4-153.3-146.5 160.0 -12.3 10.3 145.2 36 36 A S + 0 0 0 92,-0.4 93,-0.2 -2,-0.3 100,-0.2 0.519 58.8 101.7-116.6 -3.7 -13.1 11.4 148.9 37 37 A N - 0 0 11 91,-0.2 85,-3.0 98,-0.1 2,-0.4 -0.378 53.6-148.5 -87.9 169.0 -13.1 8.1 150.9 38 38 A L E +J 121 0B 10 83,-0.2 64,-0.9 -2,-0.1 2,-0.3 -0.997 30.7 151.2-124.1 126.1 -10.4 6.6 153.2 39 39 A W E -Jk 120 102B 3 81,-1.8 81,-1.0 -2,-0.4 2,-0.3 -0.979 20.4-167.1-153.1 162.0 -10.1 2.9 153.5 40 40 A V E -Jk 119 103B 0 62,-1.3 64,-2.1 -2,-0.3 79,-0.2 -0.959 41.2 -90.0-148.8 152.0 -7.4 0.3 154.2 41 41 A S - 0 0 0 77,-0.9 15,-1.6 13,-0.4 2,-0.3 -0.465 57.4-166.4 -58.5 140.5 -7.0 -3.5 153.9 42 42 A S B > -n 56 0C 0 62,-0.4 3,-2.4 13,-0.2 2,-0.2 -0.957 36.6-107.2-133.0 160.9 -8.3 -4.7 157.4 43 43 A S T 3 S+ 0 0 50 13,-3.1 14,-0.1 -2,-0.3 62,-0.1 0.235 113.1 72.4 -70.9 25.5 -8.2 -7.9 159.3 44 44 A H T 3 S+ 0 0 53 60,-0.6 2,-0.4 -2,-0.2 -1,-0.3 0.229 87.1 86.2-110.9 0.2 -12.0 -8.3 158.6 45 45 A a < + 0 0 0 -3,-2.4 61,-0.2 5,-0.1 60,-0.1 -0.864 39.8 161.0-111.3 138.7 -11.0 -9.1 155.1 46 46 A S + 0 0 102 59,-0.8 60,-0.1 -2,-0.4 -1,-0.1 0.218 34.9 123.5-134.8 16.0 -10.0 -12.4 153.7 47 47 A A S > S- 0 0 27 58,-0.2 4,-1.2 1,-0.1 -2,-0.0 -0.170 79.0-103.6 -62.3-178.2 -10.5 -12.0 149.9 48 48 A Q H > S+ 0 0 153 2,-0.2 4,-0.7 1,-0.2 -1,-0.1 0.810 121.6 55.7 -76.9 -31.7 -7.2 -12.8 148.0 49 49 A A H >4 S+ 0 0 5 58,-0.4 3,-0.7 1,-0.2 4,-0.5 0.909 107.8 49.6 -61.5 -49.0 -6.4 -9.0 147.4 50 50 A a H >4 S+ 0 0 0 57,-0.3 3,-0.7 1,-0.2 -2,-0.2 0.821 102.4 64.3 -60.8 -38.9 -6.6 -8.5 151.2 51 51 A S H 3< S+ 0 0 79 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.717 107.0 39.3 -61.2 -32.3 -4.3 -11.5 151.7 52 52 A N T << S+ 0 0 85 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.470 104.9 81.6-101.8 4.6 -1.3 -9.9 150.0 53 53 A H S < S- 0 0 33 -3,-0.7 2,-0.8 -4,-0.5 65,-0.1 -0.424 93.9 -91.0-102.6 173.9 -1.8 -6.4 151.4 54 54 A N - 0 0 86 -2,-0.1 -13,-0.4 -26,-0.1 2,-0.3 -0.797 48.7-142.6 -85.6 112.7 -0.9 -4.9 154.8 55 55 A K - 0 0 70 -2,-0.8 2,-0.6 -4,-0.1 -13,-0.2 -0.476 2.6-133.8 -89.5 142.7 -3.9 -5.5 157.0 56 56 A F B -n 42 0C 0 -15,-1.6 -13,-3.1 -2,-0.3 -12,-0.1 -0.746 18.1-157.5 -87.0 124.2 -5.1 -3.0 159.6 57 57 A K > - 0 0 43 -2,-0.6 3,-1.7 -15,-0.2 -15,-0.0 -0.866 7.3-165.9-109.6 103.6 -5.9 -4.8 162.9 58 58 A P G > S+ 0 0 6 0, 0.0 3,-1.0 0, 0.0 6,-0.3 0.709 82.9 64.8 -61.5 -24.1 -8.4 -2.8 165.1 59 59 A R G 3 S+ 0 0 190 1,-0.2 -2,-0.0 3,-0.1 3,-0.0 0.577 97.4 57.4 -75.6 -15.2 -7.7 -4.8 168.3 60 60 A Q G < S+ 0 0 136 -3,-1.7 2,-0.5 1,-0.0 -1,-0.2 0.009 90.4 80.3-111.5 22.6 -4.1 -3.6 168.4 61 61 A S X - 0 0 10 -3,-1.0 3,-1.6 -40,-0.1 -40,-0.1 -0.974 60.0-161.7-130.0 113.9 -5.0 0.1 168.5 62 62 A S T 3 S+ 0 0 106 -40,-2.4 -3,-0.1 -2,-0.5 -1,-0.1 0.377 91.6 57.5 -79.7 6.1 -6.0 1.5 171.9 63 63 A T T 3 S+ 0 0 53 -41,-0.3 -1,-0.3 -40,-0.1 35,-0.1 0.410 80.6 119.6-110.1 -1.2 -7.5 4.5 170.2 64 64 A Y < - 0 0 40 -3,-1.6 2,-0.4 -6,-0.3 23,-0.2 -0.307 35.3-179.6 -79.3 144.4 -10.0 2.5 168.0 65 65 A V E -L 86 0B 82 21,-2.7 21,-2.3 -2,-0.1 2,-0.1 -0.946 19.6-140.2-137.0 115.9 -13.7 3.0 168.2 66 66 A E E -L 85 0B 101 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.419 14.1-169.2 -85.7 159.2 -16.0 1.0 165.9 67 67 A T E - 0 0 53 17,-1.6 17,-0.3 2,-0.1 -2,-0.0 -0.997 21.7-141.0-132.0 121.6 -19.2 2.1 164.0 68 68 A G E + 0 0 54 -2,-0.3 17,-0.1 15,-0.1 -2,-0.0 0.659 59.8 127.0 -70.8 -4.4 -21.2 -0.9 162.5 69 69 A K E - 0 0 112 14,-0.1 15,-3.6 1,-0.1 2,-0.2 -0.313 48.4-152.2 -58.3 129.3 -22.0 1.1 159.4 70 70 A T E -L 83 0B 89 13,-0.3 2,-0.3 32,-0.1 13,-0.3 -0.574 4.1-151.7 -94.8 163.3 -21.0 -0.8 156.3 71 71 A V E -L 82 0B 9 11,-2.3 11,-2.1 -2,-0.2 2,-0.5 -0.955 8.6-160.2-133.8 153.0 -20.1 0.9 153.0 72 72 A D E +L 81 0B 87 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.977 21.9 180.0-129.3 109.1 -20.4 -0.4 149.5 73 73 A L E -L 80 0B 8 7,-2.0 7,-2.1 -2,-0.5 2,-0.5 -0.915 17.0-179.1-130.6 113.2 -18.1 1.6 147.5 74 74 A T E -L 79 0B 81 -2,-0.7 5,-0.3 5,-0.3 -2,-0.1 -0.919 16.3-157.9 -95.6 133.3 -17.8 0.9 143.9 75 75 A Y - 0 0 49 3,-3.0 4,-0.1 -2,-0.5 -1,-0.0 -0.264 67.6 -63.3-105.3 33.4 -15.2 3.4 142.8 76 76 A G S S- 0 0 70 2,-0.2 3,-0.1 214,-0.0 215,-0.0 0.940 127.9 -19.4 64.3 68.2 -15.9 3.7 139.1 77 77 A T S S+ 0 0 141 1,-0.1 2,-0.3 3,-0.0 -3,-0.1 0.966 110.7 102.8 23.4 104.9 -14.9 0.1 139.3 78 78 A G - 0 0 15 -5,-0.1 -3,-3.0 33,-0.0 -2,-0.2 -0.280 56.4-179.8-130.4 154.5 -13.0 -0.6 142.3 79 79 A G E +L 74 0B 26 29,-0.5 -5,-0.3 -5,-0.3 2,-0.1 -0.358 13.4 147.9-170.7 70.3 -16.1 -2.1 143.9 80 80 A M E -L 73 0B 1 -7,-2.1 -7,-2.0 27,-0.1 2,-0.4 -0.308 39.5-116.5-104.9-177.2 -15.4 -3.3 147.4 81 81 A R E +LM 72 106B 106 25,-2.4 24,-2.8 -9,-0.2 25,-0.9 -0.913 33.2 164.1-125.3 144.3 -17.0 -3.7 150.8 82 82 A G E -LM 71 104B 1 -11,-2.1 -11,-2.3 -2,-0.4 2,-0.4 -0.942 30.1-132.7-152.6 172.8 -16.3 -2.2 154.1 83 83 A I E -LM 70 103B 23 20,-2.2 20,-3.1 -2,-0.3 -13,-0.3 -0.993 31.5-122.1-132.7 135.7 -17.2 -1.3 157.7 84 84 A L E + M 0 102B 5 -15,-3.6 -17,-1.6 -2,-0.4 2,-0.3 -0.472 38.7 153.4 -84.1 142.8 -16.8 2.1 159.3 85 85 A G E -LM 66 101B 0 16,-2.1 16,-2.2 -19,-0.2 2,-0.4 -0.957 33.0-119.7-153.8 177.6 -14.7 2.9 162.4 86 86 A Q E +LM 65 100B 54 -21,-2.3 -21,-2.7 -2,-0.3 2,-0.3 -0.983 38.4 136.3-132.6 126.5 -12.8 5.7 164.1 87 87 A D E - M 0 99B 1 12,-2.4 12,-2.1 -2,-0.4 2,-0.5 -0.949 57.5 -76.1-158.3 172.7 -9.1 6.0 165.1 88 88 A T E - 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