==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-FEB-05 1YX9 . COMPND 2 MOLECULE: PEPSINOGEN A; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.M.KESAVULU,S.RAMASUBRAMANIAN,K.SUGUNA . 326 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 71.8 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 . 104 31.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 5 1.5 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 . 31 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 26 8.0 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 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 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 . 4 3 3 5 2 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 . 0 0 1 0 1 0 1 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 I 0 0 149 0, 0.0 2,-0.4 0, 0.0 167,-0.2 0.000 360.0 360.0 360.0 113.5 -2.8 50.0 96.9 2 2 A G E -A 167 0A 2 165,-2.6 165,-3.4 2,-0.0 2,-0.5 -0.709 360.0-157.9 -91.4 136.1 -5.3 47.4 98.0 3 3 A D E +A 166 0A 89 89,-1.1 163,-0.2 -2,-0.4 91,-0.1 -0.942 11.9 177.4-117.8 119.4 -4.8 43.7 97.1 4 4 A E E -A 165 0A 8 161,-1.7 161,-1.8 -2,-0.5 2,-0.1 -0.869 18.2-147.6-124.8 99.9 -7.8 41.2 97.0 5 5 A P E -A 164 0A 89 0, 0.0 12,-0.5 0, 0.0 2,-0.4 -0.399 11.7-151.7 -67.2 135.8 -7.1 37.6 96.1 6 6 A L - 0 0 14 157,-2.6 2,-0.5 148,-0.2 156,-0.4 -0.912 10.5-132.3-112.2 135.1 -9.8 35.8 94.2 7 7 A E E -F 15 0B 123 8,-3.2 8,-1.6 -2,-0.4 2,-0.7 -0.737 19.4-138.5 -86.6 124.1 -10.4 32.0 94.3 8 8 A N E -F 14 0B 16 -2,-0.5 2,-0.8 152,-0.5 6,-0.2 -0.767 18.6-166.5 -85.8 114.1 -10.9 30.6 90.8 9 9 A Y E >> -F 13 0B 100 4,-2.8 4,-1.9 -2,-0.7 3,-1.4 -0.835 67.0 -37.4-109.4 99.6 -13.7 28.0 90.9 10 10 A L T 34 S- 0 0 92 -2,-0.8 -1,-0.2 1,-0.3 4,-0.1 0.863 97.3 -80.8 58.2 40.8 -13.9 25.8 87.8 11 11 A D T 34 S+ 0 0 23 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.577 126.3 82.7 46.3 9.6 -12.9 28.7 85.5 12 12 A T T <4 S+ 0 0 43 -3,-1.4 2,-0.4 1,-0.3 -2,-0.2 0.765 89.8 30.8-109.9 -37.1 -16.6 29.7 85.7 13 13 A E E < -F 9 0B 35 -4,-1.9 -4,-2.8 206,-0.0 2,-0.5 -0.973 56.6-163.0-131.6 141.8 -16.8 31.7 88.9 14 14 A Y E +F 8 0B 11 -2,-0.4 17,-0.8 202,-0.3 2,-0.3 -0.961 20.0 163.8-124.5 117.2 -14.5 34.0 90.8 15 15 A F E -FG 7 30B 13 -8,-1.6 -8,-3.2 -2,-0.5 2,-0.3 -0.841 13.8-164.7-128.4 165.9 -15.1 34.9 94.4 16 16 A G E - G 0 29B 5 13,-2.5 13,-2.9 -2,-0.3 2,-0.4 -0.930 25.6-100.8-144.4 167.8 -13.1 36.4 97.3 17 17 A T E + G 0 28B 74 -12,-0.5 75,-0.4 -2,-0.3 2,-0.3 -0.791 35.1 172.0 -98.4 132.3 -13.3 36.8 101.0 18 18 A I E - G 0 27B 2 9,-2.3 9,-1.9 -2,-0.4 2,-0.4 -0.828 22.5-135.1-126.4 165.8 -14.4 40.1 102.7 19 19 A G E -HG 90 26B 4 71,-1.0 71,-2.7 -2,-0.3 2,-0.4 -0.981 15.3-165.1-127.3 139.1 -15.1 40.7 106.3 20 20 A I E > -HG 89 25B 0 5,-2.4 5,-2.6 -2,-0.4 69,-0.2 -0.983 45.3 -1.6-130.0 132.9 -18.0 42.6 107.8 21 21 A G T 5S- 0 0 6 67,-2.5 40,-0.1 -2,-0.4 66,-0.1 -0.249 90.1 -44.0 93.6 179.4 -18.5 44.0 111.3 22 22 A T T 5S+ 0 0 54 2,-0.1 40,-2.1 1,-0.1 41,-0.2 -0.933 136.8 28.5-134.3 107.0 -16.6 44.1 114.6 23 23 A P T 5S- 0 0 101 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.585 118.7-111.8 -63.8 165.7 -15.5 41.4 115.1 24 24 A A T 5 - 0 0 45 -2,-0.2 2,-0.5 -5,-0.1 -3,-0.2 -0.548 25.9-154.3 -76.3 128.8 -15.3 40.7 111.4 25 25 A Q E < -G 20 0B 38 -5,-2.6 -5,-2.4 -2,-0.3 2,-0.3 -0.907 21.6-127.5-102.7 127.7 -17.7 38.1 110.0 26 26 A D E +G 19 0B 97 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.572 31.3 168.5 -87.0 140.6 -16.4 36.4 106.9 27 27 A F E -G 18 0B 5 -9,-1.9 -9,-2.3 -2,-0.3 2,-0.6 -0.997 29.9-133.9-144.5 141.4 -18.3 36.0 103.6 28 28 A T E +G 17 0B 34 -2,-0.3 90,-2.4 -11,-0.2 91,-1.6 -0.867 35.6 177.2 -97.2 126.2 -17.2 34.9 100.1 29 29 A V E -Gi 16 119B 0 -13,-2.9 -13,-2.5 -2,-0.6 2,-0.4 -0.935 31.5-114.2-130.8 153.8 -18.6 37.3 97.5 30 30 A I E -Gi 15 120B 13 89,-1.8 91,-3.1 -2,-0.3 2,-1.5 -0.728 23.4-133.9 -87.0 131.2 -18.3 37.6 93.7 31 31 A F E - i 0 121B 8 -17,-0.8 2,-0.5 -2,-0.4 91,-0.2 -0.697 34.0-171.4 -87.9 90.6 -16.5 40.8 92.5 32 32 A D E - i 0 122B 16 -2,-1.5 91,-2.5 89,-0.8 3,-0.4 -0.726 27.9-174.8 -90.1 122.4 -19.0 41.7 89.9 33 33 A T S S+ 0 0 1 -2,-0.5 157,-0.6 89,-0.2 92,-0.2 0.208 90.0 61.6 -96.5 14.0 -18.3 44.6 87.4 34 34 A G S S+ 0 0 14 155,-0.1 2,-0.2 90,-0.1 -1,-0.2 0.386 104.6 52.7-113.3 -4.3 -21.8 44.1 86.1 35 35 A S - 0 0 9 -3,-0.4 89,-2.6 86,-0.1 88,-0.8 -0.678 57.3-165.1-121.7 173.3 -23.3 45.0 89.5 36 36 A S + 0 0 1 86,-0.3 100,-0.3 92,-0.3 2,-0.2 0.395 61.8 88.6-138.1 -12.5 -22.9 48.0 91.8 37 37 A N - 0 0 8 91,-0.2 85,-2.4 98,-0.1 2,-0.5 -0.608 59.2-148.6 -94.5 153.6 -24.4 46.8 95.0 38 38 A L E +J 121 0B 6 83,-0.3 64,-2.1 62,-0.2 2,-0.3 -0.981 31.9 150.6-118.2 127.6 -22.8 44.9 97.9 39 39 A W E -Jk 120 102B 0 81,-1.9 81,-1.8 -2,-0.5 64,-0.2 -0.981 20.0-174.6-157.8 148.5 -25.0 42.4 99.8 40 40 A V E - k 0 103B 0 62,-1.6 64,-2.0 -2,-0.3 79,-0.2 -0.913 40.8 -84.3-137.8 162.5 -24.6 39.2 101.8 41 41 A P - 0 0 0 0, 0.0 15,-2.0 0, 0.0 2,-0.3 -0.175 48.0-161.8 -62.6 164.4 -27.2 36.9 103.4 42 42 A S B > -n 56 0C 0 13,-0.3 3,-2.3 61,-0.1 15,-0.2 -0.975 35.8-101.7-147.9 162.9 -28.4 37.8 106.9 43 43 A V T 3 S+ 0 0 61 13,-2.4 14,-0.1 -2,-0.3 62,-0.1 0.488 116.3 66.5 -62.2 -0.9 -30.1 36.2 110.0 44 44 A Y T 3 S+ 0 0 114 60,-0.4 2,-0.4 12,-0.2 -1,-0.3 0.643 85.4 83.7 -94.1 -15.6 -33.3 38.0 108.8 45 45 A a < + 0 0 1 -3,-2.3 61,-0.2 59,-0.4 60,-0.1 -0.734 48.4 178.5 -91.3 131.2 -33.6 35.8 105.7 46 46 A S + 0 0 108 59,-1.0 -1,-0.1 -2,-0.4 60,-0.1 0.282 39.6 125.7-113.6 9.1 -35.2 32.4 106.0 47 47 A S S > S- 0 0 25 58,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.097 73.4-113.0 -61.4 166.1 -34.9 31.4 102.4 48 48 A L H > S+ 0 0 132 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.802 116.6 58.3 -72.7 -29.3 -33.2 28.2 101.5 49 49 A A H 4 S+ 0 0 1 58,-0.7 4,-0.4 1,-0.2 -1,-0.2 0.837 108.3 47.4 -67.7 -33.0 -30.4 30.0 99.8 50 50 A a H >4 S+ 0 0 0 2,-0.2 3,-1.3 1,-0.2 -2,-0.2 0.898 108.8 49.8 -75.2 -44.5 -29.7 31.7 103.1 51 51 A S H 3< S+ 0 0 78 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.786 107.8 61.3 -63.4 -24.4 -29.8 28.7 105.3 52 52 A D T 3< S+ 0 0 62 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.684 112.7 28.3 -74.7 -21.6 -27.4 27.3 102.7 53 53 A H S < S- 0 0 27 -3,-1.3 2,-0.3 -4,-0.4 64,-0.1 -0.591 101.4 -56.8-128.8-170.3 -24.8 29.9 103.3 54 54 A N - 0 0 94 -2,-0.2 2,-0.5 -26,-0.1 -1,-0.1 -0.526 47.1-151.3 -72.7 132.3 -23.2 32.3 105.9 55 55 A Q - 0 0 66 -2,-0.3 -13,-0.3 -4,-0.1 2,-0.2 -0.936 13.5-127.3-111.9 127.2 -25.7 34.7 107.5 56 56 A F B -n 42 0C 0 -15,-2.0 -13,-2.4 -2,-0.5 -12,-0.2 -0.491 18.8-149.5 -71.1 138.8 -24.5 38.0 108.8 57 57 A N > - 0 0 35 -15,-0.2 3,-0.7 -2,-0.2 -1,-0.0 -0.926 12.2-170.4-117.6 107.5 -25.5 38.8 112.3 58 58 A P G > S+ 0 0 8 0, 0.0 3,-2.3 0, 0.0 6,-0.2 0.919 84.8 62.9 -57.7 -48.3 -26.1 42.5 113.2 59 59 A D G 3 S+ 0 0 122 1,-0.3 5,-0.0 3,-0.0 -2,-0.0 0.747 99.7 54.0 -49.9 -32.7 -26.3 41.8 116.9 60 60 A D G < S+ 0 0 99 -3,-0.7 2,-0.4 2,-0.0 -1,-0.3 0.246 93.5 86.1 -91.4 12.6 -22.7 40.5 117.1 61 61 A S < - 0 0 16 -3,-2.3 3,-0.3 1,-0.1 -40,-0.1 -0.949 52.8-169.9-115.8 134.2 -21.3 43.7 115.5 62 62 A S S S+ 0 0 99 -40,-2.1 -1,-0.1 -2,-0.4 -3,-0.0 0.664 89.0 51.3 -93.6 -19.4 -20.3 46.7 117.5 63 63 A T S S+ 0 0 61 -41,-0.2 2,-0.3 -40,-0.1 -1,-0.2 0.201 83.5 122.5-101.1 14.6 -19.7 49.0 114.6 64 64 A F - 0 0 45 -3,-0.3 2,-0.5 -6,-0.2 23,-0.2 -0.639 40.2-170.3 -85.2 134.8 -23.0 48.2 112.9 65 65 A E E -L 86 0B 123 21,-3.4 21,-3.3 -2,-0.3 2,-0.1 -0.984 15.1-142.6-124.4 116.0 -25.5 51.1 112.2 66 66 A A E -L 85 0B 68 -2,-0.5 2,-0.3 19,-0.2 19,-0.2 -0.357 14.8-159.9 -77.6 157.9 -29.0 50.1 111.1 67 67 A T E - 0 0 36 17,-1.2 17,-0.1 2,-0.1 -1,-0.0 -0.861 25.9-126.7-132.5 169.2 -31.0 52.0 108.4 68 68 A S E + 0 0 125 -2,-0.3 2,-0.5 15,-0.1 17,-0.1 -0.148 68.9 118.4-107.5 35.5 -34.7 52.4 107.4 69 69 A Q E - 0 0 88 15,-0.3 15,-1.9 2,-0.0 2,-0.2 -0.901 53.0-145.0-115.0 130.3 -34.2 51.5 103.8 70 70 A E E -L 83 0B 126 -2,-0.5 2,-0.4 13,-0.2 13,-0.2 -0.514 18.4-162.0 -82.2 151.5 -35.6 48.6 101.7 71 71 A L E +L 82 0B 2 11,-1.8 11,-3.1 -2,-0.2 2,-0.3 -0.999 12.6 173.7-138.8 140.3 -33.4 47.1 99.0 72 72 A S E +L 81 0B 73 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.994 2.6 178.2-147.1 139.1 -34.3 44.9 96.0 73 73 A I E -L 80 0B 20 7,-2.4 7,-2.0 -2,-0.3 2,-0.5 -0.999 14.0-159.3-146.1 140.4 -32.3 43.6 93.1 74 74 A T E -L 79 0B 116 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.974 14.9-172.2-122.7 120.6 -32.9 41.3 90.1 75 75 A Y - 0 0 40 3,-4.0 -40,-0.0 -2,-0.5 -2,-0.0 -0.609 41.4-105.8-104.1 166.6 -29.9 39.6 88.4 76 76 A G S S+ 0 0 90 -2,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.678 124.1 35.2 -65.0 -14.5 -29.9 37.7 85.2 77 77 A T S S- 0 0 86 1,-0.3 34,-0.3 32,-0.0 2,-0.2 0.806 128.9 -21.2-105.4 -44.6 -29.6 34.6 87.4 78 78 A G - 0 0 18 33,-0.1 -3,-4.0 32,-0.1 -1,-0.3 -0.842 55.6-114.0-152.2-171.6 -31.6 35.4 90.5 79 79 A S E -L 74 0B 42 29,-0.7 2,-0.3 -5,-0.3 -5,-0.2 -0.829 18.6-165.6-130.2 169.7 -33.3 38.0 92.7 80 80 A M E -L 73 0B 3 -7,-2.0 -7,-2.4 -2,-0.3 2,-0.4 -0.972 8.1-161.2-160.2 142.1 -32.9 39.3 96.3 81 81 A T E +LM 72 106B 50 25,-2.6 24,-2.7 -2,-0.3 25,-2.0 -0.989 32.0 132.0-126.3 131.8 -34.8 41.4 98.9 82 82 A G E -LM 71 104B 0 -11,-3.1 -11,-1.8 -2,-0.4 2,-0.3 -0.681 45.2-100.3-151.2-155.8 -33.2 43.0 101.9 83 83 A I E -LM 70 103B 34 20,-1.4 20,-2.7 -13,-0.2 2,-0.2 -0.924 35.0-116.5-139.2 158.2 -32.6 46.0 104.1 84 84 A L E + M 0 102B 4 -15,-1.9 -17,-1.2 -2,-0.3 -15,-0.3 -0.661 34.6 158.2-103.8 159.0 -29.7 48.4 104.3 85 85 A G E -LM 66 101B 0 16,-1.8 16,-2.4 -2,-0.2 2,-0.3 -0.962 32.7-115.0-171.4 155.2 -27.2 49.2 107.0 86 86 A Y E +LM 65 100B 82 -21,-3.3 -21,-3.4 -2,-0.3 2,-0.3 -0.768 44.2 131.0-101.6 142.8 -23.7 50.6 107.7 87 87 A D E - M 0 99B 2 12,-1.8 12,-1.3 -2,-0.3 2,-0.5 -0.955 58.6 -75.2-171.3 173.0 -20.7 48.7 109.1 88 88 A T E - 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