==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (ACID PROTEINASE) 23-JAN-95 1PSN . COMPND 2 MOLECULE: PEPSIN 3A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.FUJINAGA,M.M.CHERNAIA,N.TARASOVA,S.C.MOSIMANN,M.N.G.JAMES . 326 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 32.8 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 . 6 1.8 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 . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 7.7 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 4 0 0 1 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 1 2 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 PARALLEL BRIDGES PER LADDER . 2 6 3 6 1 2 1 0 0 1 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 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 V 0 0 132 0, 0.0 2,-0.7 0, 0.0 167,-0.1 0.000 360.0 360.0 360.0 104.9 29.3 35.4 14.1 2 2 A D E -A 167 0A 57 165,-0.9 165,-2.5 2,-0.0 2,-0.4 -0.681 360.0-170.7 -92.9 110.6 28.8 31.9 12.6 3 3 A E E -A 166 0A 74 -2,-0.7 163,-0.2 163,-0.2 89,-0.0 -0.790 15.9-162.7-110.0 134.6 26.4 31.7 9.6 4 4 A Q E -A 165 0A 14 161,-3.2 161,-2.0 -2,-0.4 2,-0.1 -0.919 20.1-143.2-111.2 108.8 25.0 28.7 7.7 5 5 A P E -A 164 0A 87 0, 0.0 2,-0.3 0, 0.0 12,-0.3 -0.400 16.4-156.7 -69.2 138.7 23.6 29.6 4.3 6 6 A L - 0 0 13 157,-2.2 2,-0.4 10,-0.1 156,-0.4 -0.914 11.2-130.7-118.3 145.7 20.4 27.7 3.2 7 7 A E E -F 15 0B 118 8,-3.0 8,-1.4 -2,-0.3 2,-0.6 -0.836 19.9-134.4 -94.3 135.9 19.1 27.0 -0.2 8 8 A N E -F 14 0B 9 -2,-0.4 2,-0.8 151,-0.2 6,-0.2 -0.888 14.6-161.0 -90.9 120.1 15.4 27.8 -0.8 9 9 A Y E >> -F 13 0B 91 4,-3.0 3,-2.3 -2,-0.6 4,-1.4 -0.859 69.1 -48.2-107.2 95.2 13.5 25.1 -2.7 10 10 A L T 34 S- 0 0 109 -2,-0.8 -1,-0.1 1,-0.3 148,-0.1 0.728 97.9 -72.3 54.8 32.1 10.3 26.4 -4.2 11 11 A D T 34 S+ 0 0 23 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.578 127.1 89.5 56.3 21.2 9.3 28.2 -0.9 12 12 A M T <4 S+ 0 0 66 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.717 88.7 24.0-110.6 -31.8 8.5 24.7 0.5 13 13 A E E < -F 9 0B 33 -4,-1.4 -4,-3.0 205,-0.1 2,-0.5 -0.994 54.1-162.1-148.6 143.8 11.9 23.6 2.0 14 14 A Y E +F 8 0B 5 -2,-0.3 17,-1.4 202,-0.3 2,-0.3 -0.957 25.8 155.8-132.0 118.5 15.1 25.2 3.4 15 15 A F E -FG 7 30B 8 -8,-1.4 -8,-3.0 -2,-0.5 2,-0.3 -0.914 17.4-164.3-144.6 161.1 18.3 23.1 3.7 16 16 A G E - G 0 29B 4 13,-2.2 13,-2.6 -2,-0.3 2,-0.4 -0.905 29.1 -89.3-145.5 171.3 22.1 23.5 3.8 17 17 A T E + G 0 28B 74 -12,-0.3 75,-0.3 -2,-0.3 2,-0.3 -0.678 37.6 177.0 -95.1 122.8 25.3 21.7 3.5 18 18 A I E - G 0 27B 2 9,-2.7 9,-2.8 -2,-0.4 2,-0.4 -0.871 21.8-136.6-114.5 156.4 27.0 20.1 6.5 19 19 A G E -HG 90 26B 4 71,-2.1 71,-3.5 -2,-0.3 2,-0.4 -0.939 17.8-169.2-113.8 130.3 30.2 18.1 6.7 20 20 A I E > +HG 89 25B 0 5,-2.6 5,-2.4 -2,-0.4 69,-0.2 -1.000 46.9 4.0-121.4 124.9 30.3 14.9 8.9 21 21 A G T 5S- 0 0 2 67,-3.0 40,-0.1 -2,-0.4 66,-0.1 -0.117 91.0 -44.2 105.4 172.1 33.6 13.1 9.7 22 22 A T T 5S+ 0 0 56 1,-0.3 40,-2.6 2,-0.1 41,-0.3 -0.959 135.1 23.1-122.4 109.9 37.4 13.3 9.2 23 23 A P T 5S- 0 0 102 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.638 119.6-104.6 -74.6 162.7 37.8 14.1 6.4 24 24 A A T 5 - 0 0 43 -2,-0.1 2,-0.5 -5,-0.1 -3,-0.2 -0.184 26.0-159.1 -63.1 124.0 34.4 15.7 5.8 25 25 A Q E < -G 20 0B 36 -5,-2.4 -5,-2.6 29,-0.0 2,-0.3 -0.927 26.7-126.3 -95.8 131.9 31.6 13.9 3.9 26 26 A D E +G 19 0B 102 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.692 31.1 174.3 -88.6 135.1 29.1 16.5 2.6 27 27 A F E -G 18 0B 3 -9,-2.8 -9,-2.7 -2,-0.3 2,-0.5 -0.982 28.9-133.5-134.3 152.0 25.3 16.3 3.2 28 28 A T E -G 17 0B 28 -2,-0.3 91,-2.1 -11,-0.2 90,-2.0 -0.867 34.6-179.3 -97.7 119.4 22.2 18.5 2.6 29 29 A V E -Gi 16 119B 0 -13,-2.6 -13,-2.2 -2,-0.5 2,-0.4 -0.980 31.2-118.0-124.5 142.0 20.0 18.6 5.7 30 30 A V E -Gi 15 120B 13 89,-1.9 91,-3.1 -2,-0.4 2,-1.0 -0.672 26.6-135.2 -68.9 121.8 16.7 20.4 6.6 31 31 A F E - i 0 121B 3 -17,-1.4 2,-0.6 -2,-0.4 91,-0.2 -0.814 36.1-172.5 -82.3 104.0 17.3 22.9 9.4 32 32 A D E > - i 0 122B 12 89,-3.0 91,-2.5 -2,-1.0 3,-1.0 -0.887 33.9-177.4-121.4 111.0 14.3 21.9 11.4 33 33 A T T 3 S+ 0 0 0 -2,-0.6 157,-0.5 1,-0.2 92,-0.2 0.527 84.3 66.7 -81.6 -0.4 13.0 23.7 14.5 34 34 A G T 3 S+ 0 0 13 155,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.252 106.1 35.1-101.5 6.7 10.1 21.1 14.8 35 35 A S < - 0 0 11 -3,-1.0 89,-2.1 86,-0.1 88,-0.7 -0.885 63.6-147.7-149.4 171.3 12.4 18.1 15.7 36 36 A S + 0 0 1 92,-0.3 2,-0.3 -2,-0.3 100,-0.2 0.351 60.1 97.6-131.5 3.7 15.7 17.6 17.6 37 37 A N - 0 0 7 91,-0.2 85,-1.0 98,-0.1 2,-0.5 -0.755 53.9-148.2-102.4 149.0 17.6 14.8 15.9 38 38 A L E +J 121 0B 7 -2,-0.3 64,-2.3 62,-0.2 2,-0.3 -0.902 31.0 155.2-108.1 129.6 20.4 14.9 13.4 39 39 A W E -Jk 120 102B 1 81,-2.0 81,-1.3 -2,-0.5 64,-0.2 -0.979 18.9-174.4-151.3 151.9 20.6 12.0 10.9 40 40 A V E - k 0 103B 0 62,-2.4 64,-2.2 -2,-0.3 79,-0.1 -0.898 39.3 -89.8-132.4 161.2 22.0 11.3 7.5 41 41 A P - 0 0 0 0, 0.0 15,-2.7 0, 0.0 2,-0.3 -0.326 47.0-160.1 -67.2 148.2 21.7 8.2 5.1 42 42 A S B > -n 56 0C 0 62,-0.3 3,-1.9 13,-0.3 15,-0.2 -0.912 35.3-102.1-128.0 168.9 24.4 5.7 5.5 43 43 A V T 3 S+ 0 0 56 13,-2.1 14,-0.1 -2,-0.3 62,-0.1 0.611 116.3 70.9 -63.9 -12.1 26.1 2.8 3.6 44 44 A Y T 3 S+ 0 0 114 60,-0.3 2,-0.5 12,-0.3 -1,-0.3 0.431 84.3 91.3 -80.9 -0.1 24.0 0.5 5.8 45 45 A a < + 0 0 0 -3,-1.9 61,-0.1 1,-0.1 60,-0.1 -0.910 38.5 165.3-112.6 132.8 20.8 1.6 3.9 46 46 A S + 0 0 106 59,-0.7 -1,-0.1 -2,-0.5 60,-0.1 0.122 39.3 121.4-126.1 4.5 19.4 -0.1 0.8 47 47 A S S >> S- 0 0 28 58,-0.3 4,-0.9 1,-0.1 3,-0.7 -0.458 80.5-104.4 -63.8 153.6 15.9 1.6 0.8 48 48 A L H >> S+ 0 0 117 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.869 122.1 57.4 -49.5 -43.4 15.2 3.5 -2.5 49 49 A A H >4 S+ 0 0 0 58,-0.6 3,-0.8 60,-0.3 -1,-0.2 0.920 104.3 52.9 -57.3 -36.6 15.7 6.9 -0.7 50 50 A a H <4 S+ 0 0 0 -3,-0.7 3,-0.5 1,-0.2 -1,-0.2 0.741 100.7 61.9 -74.0 -14.6 19.3 5.7 0.2 51 51 A T H << S+ 0 0 92 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.757 110.9 35.9 -86.7 -21.6 20.1 4.9 -3.4 52 52 A N S << S+ 0 0 72 -4,-0.8 2,-0.3 -3,-0.8 -1,-0.2 0.134 110.1 67.5-119.1 17.8 19.7 8.5 -4.7 53 53 A H S S- 0 0 27 -3,-0.5 2,-0.3 -4,-0.2 65,-0.1 -0.790 94.6 -80.3-132.1 165.8 21.0 10.5 -1.8 54 54 A N - 0 0 89 -2,-0.3 2,-0.4 -26,-0.1 -2,-0.1 -0.582 44.8-150.2 -73.0 136.6 24.5 10.9 -0.2 55 55 A R - 0 0 107 -2,-0.3 2,-0.4 -15,-0.1 -13,-0.3 -0.917 8.8-130.7-121.2 122.6 25.5 8.1 2.1 56 56 A F B -n 42 0C 0 -15,-2.7 -13,-2.1 -2,-0.4 -12,-0.3 -0.639 16.5-158.4 -68.6 131.1 27.8 8.3 5.2 57 57 A N > - 0 0 31 -2,-0.4 3,-1.5 -15,-0.2 4,-0.2 -0.914 7.4-166.2-113.5 105.8 30.5 5.7 5.2 58 58 A P G > S+ 0 0 11 0, 0.0 3,-1.6 0, 0.0 6,-0.3 0.841 86.8 66.4 -61.8 -29.4 31.9 5.2 8.8 59 59 A E G 3 S+ 0 0 148 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.719 96.2 54.3 -64.4 -24.9 34.9 3.3 7.3 60 60 A D G < S+ 0 0 89 -3,-1.5 2,-0.6 1,-0.1 -1,-0.3 0.377 94.4 87.7 -92.2 7.4 36.2 6.5 5.6 61 61 A S X - 0 0 13 -3,-1.6 3,-1.1 -4,-0.2 -1,-0.1 -0.886 54.2-166.5-119.0 119.1 36.3 8.5 8.9 62 62 A S T 3 S+ 0 0 98 -40,-2.6 -1,-0.1 -2,-0.6 -3,-0.0 0.773 94.0 49.5 -68.5 -18.0 39.2 8.6 11.3 63 63 A T T 3 S+ 0 0 52 -41,-0.3 -1,-0.2 25,-0.1 2,-0.2 0.441 80.4 122.8-107.6 3.2 37.0 10.2 14.0 64 64 A Y < - 0 0 38 -3,-1.1 2,-0.4 -6,-0.3 23,-0.2 -0.414 36.8-173.4 -71.8 130.8 34.0 7.8 13.9 65 65 A Q E -L 86 0B 111 21,-2.2 21,-2.6 -2,-0.2 2,-0.1 -0.994 14.6-140.8-125.8 129.0 33.0 6.1 17.1 66 66 A S E -L 85 0B 96 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.449 12.1-165.2 -89.0 151.5 30.2 3.4 17.1 67 67 A T E - 0 0 40 17,-0.9 19,-0.0 2,-0.2 16,-0.0 -0.879 28.5-130.8-122.5 167.9 27.5 2.7 19.5 68 68 A S E S+ 0 0 127 -2,-0.3 2,-0.3 15,-0.1 17,-0.1 0.133 76.7 109.8 -96.9 17.5 25.2 -0.4 19.9 69 69 A E E - 0 0 118 15,-0.3 15,-3.1 1,-0.0 2,-0.2 -0.675 51.6-155.7-106.3 143.8 22.2 2.0 20.0 70 70 A T E -L 83 0B 81 -2,-0.3 2,-0.4 13,-0.3 13,-0.3 -0.668 1.4-153.5-112.7 163.9 19.4 2.5 17.5 71 71 A V E -L 82 0B 3 11,-2.7 11,-3.0 -2,-0.2 2,-0.4 -0.983 5.3-171.1-138.4 140.5 17.1 5.3 16.6 72 72 A S E -L 81 0B 69 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.983 11.5-176.0-130.4 120.5 13.6 5.3 15.0 73 73 A I E -L 80 0B 11 7,-2.8 7,-2.1 -2,-0.4 2,-0.5 -0.985 11.0-163.9-126.0 136.8 11.9 8.6 14.0 74 74 A T E -L 79 0B 115 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.940 11.8-176.6-118.3 121.1 8.5 9.3 12.6 75 75 A Y - 0 0 41 3,-3.0 3,-0.3 -2,-0.5 -40,-0.0 -0.714 46.5 -98.2-103.9 167.8 7.7 12.6 10.9 76 76 A G S S+ 0 0 82 1,-0.3 2,-0.6 -2,-0.2 -1,-0.1 0.933 124.3 36.2 -48.5 -42.0 4.4 13.9 9.4 77 77 A T S S- 0 0 84 1,-0.1 -1,-0.3 -3,-0.0 0, 0.0 -0.913 124.4 -22.5-121.0 93.9 5.9 12.8 6.1 78 78 A G - 0 0 30 -2,-0.6 -3,-3.0 -3,-0.3 2,-0.3 0.073 56.9-111.1 96.5 175.7 8.0 9.6 6.4 79 79 A S E -L 74 0B 36 29,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.896 17.6-170.4-148.2 142.9 10.0 7.4 8.7 80 80 A M E -L 73 0B 0 -7,-2.1 -7,-2.8 -2,-0.3 2,-0.4 -0.979 5.9-167.2-139.1 147.8 13.6 6.3 9.4 81 81 A T E +LM 72 106B 44 25,-1.5 24,-3.3 -2,-0.3 25,-2.2 -0.971 28.5 143.1-124.5 141.4 15.4 3.7 11.5 82 82 A G E -LM 71 104B 1 -11,-3.0 -11,-2.7 -2,-0.4 2,-0.3 -0.907 44.9 -91.5-156.5-174.6 19.1 3.9 12.0 83 83 A I E -LM 70 103B 38 20,-2.1 20,-3.1 -2,-0.3 2,-0.3 -0.831 36.8-119.7-111.4 141.8 22.1 3.4 14.3 84 84 A L E + M 0 102B 6 -15,-3.1 -17,-0.9 -2,-0.3 -15,-0.3 -0.695 37.6 166.5 -84.4 130.1 23.6 6.0 16.5 85 85 A G E -LM 66 101B 0 16,-2.3 16,-2.3 -2,-0.3 2,-0.4 -0.898 28.9-125.7-132.2 164.7 27.3 7.0 16.0 86 86 A Y E +LM 65 100B 83 -21,-2.6 -21,-2.2 -2,-0.3 2,-0.3 -0.978 41.2 136.9-111.0 130.1 29.6 9.9 17.1 87 87 A D E - M 0 99B 3 12,-2.2 12,-2.5 -2,-0.4 2,-0.5 -0.906 56.2 -77.5-154.4 176.7 31.6 12.1 14.8 88 88 A T E - 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