==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 23-JAN-95 1PSO . 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 . 331 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 33.8 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 . 35 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 7.6 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 0 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 PARALLEL BRIDGES PER LADDER . 3 7 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 E V 0 0 139 0, 0.0 2,-0.7 0, 0.0 167,-0.1 0.000 360.0 360.0 360.0 140.4 30.7 34.9 13.9 2 2 E D E -A 167 0A 53 165,-1.0 165,-2.6 89,-0.0 2,-0.4 -0.729 360.0-175.7-110.2 103.8 29.6 31.7 12.2 3 3 E E E -A 166 0A 76 -2,-0.7 163,-0.2 163,-0.2 89,-0.0 -0.751 13.9-161.3-104.0 141.0 27.2 31.5 9.2 4 4 E Q E -A 165 0A 16 161,-2.7 161,-2.1 -2,-0.4 2,-0.1 -0.966 19.6-142.2-113.1 109.7 25.7 28.6 7.3 5 5 E P E -A 164 0A 92 0, 0.0 2,-0.4 0, 0.0 12,-0.3 -0.481 18.4-153.4 -67.1 139.1 24.3 29.6 3.8 6 6 E L - 0 0 14 157,-2.6 157,-0.4 -2,-0.1 2,-0.4 -0.927 10.4-128.9-118.3 142.6 21.1 27.6 3.0 7 7 E E E -F 15 0B 117 8,-3.5 8,-1.7 -2,-0.4 2,-0.7 -0.818 19.5-138.9 -88.3 132.5 19.7 26.8 -0.4 8 8 E N E -F 14 0B 12 -2,-0.4 2,-0.8 152,-0.2 6,-0.2 -0.915 14.2-162.6 -92.6 110.6 16.1 27.7 -1.0 9 9 E Y E >> -F 13 0B 89 4,-2.9 3,-2.2 -2,-0.7 4,-1.5 -0.874 68.7 -44.1 -99.2 102.1 14.2 25.0 -2.9 10 10 E L T 34 S- 0 0 102 -2,-0.8 -1,-0.1 1,-0.3 148,-0.1 0.625 99.1 -73.3 54.7 29.2 10.9 26.4 -4.3 11 11 E D T 34 S+ 0 0 25 2,-0.2 -1,-0.3 149,-0.1 3,-0.1 0.484 127.2 87.4 61.8 14.2 10.0 28.2 -1.1 12 12 E M T <4 S+ 0 0 51 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.750 87.8 26.9-109.6 -32.0 9.2 24.8 0.5 13 13 E E E < -F 9 0B 20 -4,-1.5 -4,-2.9 206,-0.1 2,-0.5 -0.999 55.9-162.9-142.8 140.4 12.5 23.4 1.8 14 14 E Y E +F 8 0B 5 -2,-0.3 17,-1.0 202,-0.2 2,-0.3 -0.983 23.3 160.1-131.1 120.8 15.7 25.0 3.1 15 15 E F E -FG 7 30B 6 -8,-1.7 -8,-3.5 -2,-0.5 2,-0.3 -0.929 17.4-165.6-141.1 153.7 18.9 23.0 3.4 16 16 E G E - G 0 29B 5 13,-2.1 13,-2.9 -2,-0.3 2,-0.4 -0.884 30.4 -95.8-132.1 175.8 22.7 23.5 3.6 17 17 E T E - G 0 28B 74 -12,-0.3 75,-0.3 -2,-0.3 2,-0.3 -0.710 36.4-177.8-101.0 126.7 25.8 21.4 3.3 18 18 E I E - G 0 27B 2 9,-3.0 9,-2.3 -2,-0.4 2,-0.4 -0.809 19.9-134.5-113.8 160.6 27.6 19.8 6.3 19 19 E G E -HG 90 26B 5 71,-1.6 71,-3.4 -2,-0.3 2,-0.4 -0.978 18.6-170.7-113.8 128.7 30.8 17.7 6.5 20 20 E I E > +HG 89 25B 0 5,-2.5 5,-2.6 -2,-0.4 69,-0.2 -0.999 47.7 3.1-118.8 127.6 30.9 14.5 8.6 21 21 E G T 5S- 0 0 3 67,-2.5 40,-0.1 -2,-0.4 66,-0.1 -0.257 92.3 -44.9 102.8 174.0 34.1 12.5 9.3 22 22 E T T 5S+ 0 0 57 1,-0.3 40,-2.8 2,-0.1 41,-0.2 -0.959 136.6 24.9-123.1 110.1 37.9 12.8 8.7 23 23 E P T 5S- 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.625 118.9-108.3 -72.9 158.8 38.2 13.6 5.9 24 24 E A T 5 - 0 0 42 -2,-0.1 2,-0.5 -5,-0.1 -3,-0.2 -0.271 23.8-155.9 -60.2 124.8 34.7 15.2 5.6 25 25 E Q E < -G 20 0B 37 -5,-2.6 -5,-2.5 -2,-0.0 2,-0.3 -0.929 26.3-129.4 -93.0 132.0 32.1 13.4 3.6 26 26 E D E +G 19 0B 104 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.674 32.1 170.3 -91.9 138.0 29.6 16.1 2.4 27 27 E F E -G 18 0B 2 -9,-2.3 -9,-3.0 -2,-0.3 2,-0.5 -0.989 31.0-127.3-137.2 151.2 25.7 15.9 2.9 28 28 E T E -G 17 0B 28 -2,-0.3 91,-2.2 -11,-0.2 90,-1.8 -0.831 33.5-176.8 -99.5 127.1 22.8 18.3 2.5 29 29 E V E -Gi 16 119B 0 -13,-2.9 -13,-2.1 -2,-0.5 2,-0.5 -0.977 29.8-120.1-125.5 137.3 20.6 18.6 5.6 30 30 E V E -Gi 15 120B 1 89,-2.0 91,-3.0 -2,-0.4 2,-0.9 -0.733 27.9-133.5 -68.3 129.1 17.3 20.5 6.4 31 31 E F E - i 0 121B 5 -17,-1.0 2,-0.6 -2,-0.5 91,-0.2 -0.796 35.4-169.5 -86.5 103.2 18.1 22.8 9.3 32 32 E D E > - i 0 122B 0 89,-3.0 91,-2.7 -2,-0.9 3,-1.1 -0.878 32.7-176.5-111.3 108.5 15.0 21.9 11.2 33 33 E T T 3 S+ 0 0 0 -2,-0.6 157,-0.5 1,-0.2 92,-0.2 0.524 85.5 67.5 -78.0 -1.8 13.8 23.7 14.4 34 34 E G T 3 S+ 0 0 0 155,-0.1 297,-2.5 90,-0.1 2,-0.3 0.218 104.3 37.1 -98.7 7.4 10.9 21.1 14.7 35 35 E S < - 0 0 0 -3,-1.1 89,-2.0 295,-0.2 88,-0.6 -0.912 61.1-149.3-150.0 163.7 13.2 18.1 15.5 36 36 E S + 0 0 1 92,-0.3 2,-0.3 -2,-0.3 100,-0.2 0.472 62.6 92.8-119.8 -4.3 16.4 17.5 17.6 37 37 E N - 0 0 7 91,-0.2 85,-1.3 98,-0.1 2,-0.5 -0.690 56.8-146.4 -93.8 152.0 18.3 14.7 15.9 38 38 E L E +J 121 0B 7 -2,-0.3 64,-2.3 62,-0.3 2,-0.3 -0.941 31.5 156.1-106.6 132.4 20.9 14.7 13.3 39 39 E W E -Jk 120 102B 0 81,-2.0 81,-1.2 -2,-0.5 64,-0.2 -0.988 17.9-176.3-150.0 155.2 21.0 11.9 10.8 40 40 E V E - k 0 103B 0 62,-2.1 64,-2.2 -2,-0.3 79,-0.1 -0.945 41.2 -85.5-137.4 162.5 22.2 11.2 7.3 41 41 E P E - k 0 104B 0 0, 0.0 15,-2.9 0, 0.0 2,-0.3 -0.248 48.7-164.9 -64.6 146.5 21.9 8.1 4.9 42 42 E S B > -n 56 0C 0 62,-0.5 3,-2.0 13,-0.3 15,-0.2 -0.913 37.2-101.5-129.0 169.4 24.6 5.4 5.4 43 43 E V T 3 S+ 0 0 63 13,-1.9 14,-0.1 -2,-0.3 62,-0.1 0.618 116.5 69.9 -60.6 -17.3 26.0 2.3 3.6 44 44 E Y T 3 S+ 0 0 123 60,-0.3 2,-0.5 12,-0.3 -1,-0.3 0.496 85.7 90.2 -74.3 -8.1 23.9 0.2 5.9 45 45 E a < + 0 0 5 -3,-2.0 61,-0.2 1,-0.1 60,-0.1 -0.858 40.5 167.1-107.6 128.9 20.8 1.5 4.1 46 46 E S + 0 0 109 59,-0.8 -1,-0.1 -2,-0.5 2,-0.1 0.179 37.9 123.8-119.1 10.1 19.3 -0.2 1.1 47 47 E S S >> S- 0 0 24 58,-0.3 4,-1.1 1,-0.1 3,-0.8 -0.464 78.0-105.2 -64.2 153.7 15.9 1.7 0.9 48 48 E L H >> S+ 0 0 119 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.869 121.2 53.5 -45.4 -49.6 15.1 3.4 -2.4 49 49 E A H >4 S+ 0 0 0 58,-0.6 3,-0.8 60,-0.3 -1,-0.2 0.876 104.6 55.8 -61.5 -29.4 15.9 6.9 -0.9 50 50 E a H X4 S+ 0 0 0 -3,-0.8 3,-0.6 1,-0.2 -1,-0.2 0.799 99.7 60.9 -72.7 -26.3 19.4 5.7 0.3 51 51 E T H << S+ 0 0 82 -4,-1.1 -1,-0.2 -3,-1.0 -2,-0.2 0.631 111.4 36.5 -77.1 -16.9 20.3 4.6 -3.3 52 52 E N T << S+ 0 0 74 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 0.159 109.6 66.6-123.6 16.3 20.0 8.2 -4.8 53 53 E H S < S- 0 0 19 -3,-0.6 2,-0.1 -4,-0.2 64,-0.0 -0.907 97.2 -81.0-127.4 160.1 21.3 10.3 -1.9 54 54 E N - 0 0 91 -2,-0.3 2,-0.4 -26,-0.1 -2,-0.1 -0.415 45.5-149.2 -62.3 145.7 24.9 10.6 -0.4 55 55 E R - 0 0 111 -2,-0.1 2,-0.4 -15,-0.1 -13,-0.3 -0.908 12.2-124.4-127.8 122.3 25.6 7.7 2.0 56 56 E F B -n 42 0C 0 -15,-2.9 -13,-1.9 -2,-0.4 -12,-0.3 -0.588 20.2-158.5 -63.5 123.6 28.0 8.0 5.0 57 57 E N > - 0 0 35 -2,-0.4 3,-1.2 -15,-0.2 4,-0.2 -0.914 5.6-168.1-105.2 101.2 30.7 5.3 4.8 58 58 E P G > S+ 0 0 11 0, 0.0 3,-1.4 0, 0.0 6,-0.3 0.805 83.1 66.8 -64.0 -24.4 32.0 4.8 8.4 59 59 E E G 3 S+ 0 0 160 1,-0.3 5,-0.0 3,-0.0 -2,-0.0 0.777 97.6 55.0 -59.7 -31.7 35.0 2.8 7.1 60 60 E D G < S+ 0 0 91 -3,-1.2 2,-0.5 2,-0.0 -1,-0.3 0.470 91.8 84.8 -88.8 0.8 36.4 5.9 5.4 61 61 E S X - 0 0 14 -3,-1.4 3,-0.7 -4,-0.2 -40,-0.1 -0.885 56.9-161.8-110.7 128.8 36.5 8.1 8.5 62 62 E S T 3 S+ 0 0 101 -40,-2.8 -1,-0.1 -2,-0.5 -3,-0.0 0.570 93.3 50.3 -77.8 -11.5 39.5 8.1 10.9 63 63 E T T 3 S+ 0 0 53 -41,-0.2 -1,-0.2 25,-0.1 2,-0.2 0.415 79.4 124.4-111.1 8.5 37.4 9.7 13.7 64 64 E Y < - 0 0 46 -3,-0.7 2,-0.4 -6,-0.3 23,-0.2 -0.422 36.3-172.4 -76.7 129.5 34.3 7.5 13.7 65 65 E Q E -L 86 0B 109 21,-2.3 21,-3.3 -2,-0.2 2,-0.1 -0.995 14.4-143.5-120.9 121.8 33.3 5.8 16.9 66 66 E S E -L 85 0B 95 -2,-0.4 2,-0.3 19,-0.2 19,-0.2 -0.352 11.5-165.1 -81.8 154.6 30.5 3.1 16.8 67 67 E T E - 0 0 47 17,-0.7 16,-0.0 2,-0.2 19,-0.0 -0.882 27.6-130.5-125.7 168.9 27.8 2.4 19.3 68 68 E S E S+ 0 0 115 -2,-0.3 2,-0.3 15,-0.1 17,-0.1 0.150 76.8 104.8-103.3 21.0 25.4 -0.6 19.8 69 69 E E E - 0 0 120 15,-0.3 15,-2.7 1,-0.0 2,-0.2 -0.685 54.9-150.8-110.8 148.2 22.3 1.8 20.0 70 70 E T E -L 83 0B 79 -2,-0.3 2,-0.4 13,-0.2 13,-0.3 -0.667 0.4-151.1-114.1 162.1 19.6 2.5 17.4 71 71 E V E -L 82 0B 2 11,-2.9 11,-2.9 -2,-0.2 2,-0.3 -0.985 6.6-172.2-130.7 138.6 17.4 5.5 16.6 72 72 E S E -L 81 0B 72 -2,-0.4 2,-0.4 9,-0.2 9,-0.2 -0.979 10.1-176.3-127.7 131.9 13.9 5.6 15.1 73 73 E I E -L 80 0B 2 7,-2.2 7,-2.1 -2,-0.3 2,-0.5 -0.997 10.1-163.2-131.4 124.0 12.4 9.1 14.1 74 74 E T E -L 79 0B 76 -2,-0.4 258,-2.5 5,-0.2 2,-0.2 -0.963 13.1-174.1-106.9 126.9 8.9 9.7 12.7 75 75 E Y B -O 331 0D 7 3,-2.5 3,-0.3 -2,-0.5 256,-0.2 -0.644 43.1-105.8-104.4 166.8 8.2 13.1 11.1 76 76 E G S S+ 0 0 27 254,-1.9 2,-0.4 253,-1.0 254,-0.2 0.873 121.7 27.1 -56.7 -40.1 5.0 14.7 9.7 77 77 E T S S- 0 0 36 252,-1.8 -1,-0.3 253,-0.2 252,-0.1 -0.944 128.1 -4.4-127.1 107.9 6.6 13.8 6.3 78 78 E G - 0 0 21 -2,-0.4 -3,-2.5 -3,-0.3 2,-0.3 -0.190 58.0-146.0 100.5 166.0 9.0 10.9 6.3 79 79 E S E -L 74 0B 33 29,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.971 9.7-169.0-164.5 157.5 10.6 8.5 8.8 80 80 E M E -L 73 0B 2 -7,-2.1 -7,-2.2 -2,-0.3 2,-0.3 -0.988 13.6-154.3-147.8 158.2 13.8 6.7 9.4 81 81 E T E +LM 72 106B 44 25,-2.1 24,-3.7 -2,-0.3 25,-1.7 -0.981 33.2 145.4-126.8 148.6 15.6 4.0 11.5 82 82 E G E -LM 71 104B 0 -11,-2.9 -11,-2.9 -2,-0.3 2,-0.3 -0.976 44.8 -94.8-155.6-174.2 19.3 4.0 12.1 83 83 E I E -LM 70 103B 28 20,-1.9 20,-3.0 -2,-0.3 2,-0.4 -0.769 38.7-120.5-115.9 142.8 22.3 3.2 14.3 84 84 E L E + M 0 102B 6 -15,-2.7 -17,-0.7 -2,-0.3 -15,-0.3 -0.737 37.7 167.8 -83.3 136.4 23.9 5.9 16.4 85 85 E G E -LM 66 101B 0 16,-2.5 16,-2.5 -2,-0.4 2,-0.4 -0.904 28.7-123.2-139.1 165.4 27.6 6.7 15.8 86 86 E Y E +LM 65 100B 85 -21,-3.3 -21,-2.3 -2,-0.3 2,-0.3 -0.931 42.0 135.7-114.8 133.8 30.0 9.5 16.9 87 87 E D E - M 0 99B 3 12,-1.9 12,-2.9 -2,-0.4 2,-0.5 -0.940 55.7 -79.8-157.5 173.8 32.0 11.7 14.5 88 88 E T E - 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