==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-OCT-99 1D6R . COMPND 2 MOLECULE: TRYPSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.KOEPKE,U.ERMLER,G.WENZL,P.FLECKER . 281 2 13 13 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 59.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 30.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), 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 . 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 . 22 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0 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 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 0 0 PARALLEL BRIDGES PER LADDER . 6 5 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 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 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 16 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.3 34.1 12.8 192.4 2 17 A V B +A 171 0A 9 169,-3.2 169,-2.4 1,-0.2 123,-0.1 -0.900 360.0 3.2-102.5 126.5 34.6 15.0 189.3 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.642 102.8 122.2 71.9 21.1 31.6 16.8 187.9 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.100 55.6-114.8 -96.5-167.2 29.3 15.5 190.7 5 20 A Y E -B 137 0B 97 132,-2.6 132,-4.8 -3,-0.1 2,-0.6 -0.872 34.8 -86.4-129.6 160.8 27.1 17.3 193.3 6 21 A T E -B 136 0B 70 -2,-0.3 130,-0.3 130,-0.3 129,-0.1 -0.603 34.6-149.7 -71.0 113.6 27.0 17.7 197.1 7 22 A a - 0 0 19 128,-2.0 -1,-0.2 -2,-0.6 129,-0.1 0.905 34.4-117.8 -49.5 -50.9 25.0 14.8 198.3 8 23 A G > - 0 0 27 127,-0.6 3,-1.9 -3,-0.1 4,-0.4 0.132 46.3 -56.2 107.6 135.2 23.6 16.6 201.4 9 24 A A T 3 S- 0 0 51 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.126 118.8 -7.7 -49.0 124.9 24.4 15.4 204.9 10 25 A N T 3 S+ 0 0 30 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.675 90.4 125.1 63.3 22.1 23.5 11.8 205.7 11 26 A T S < S+ 0 0 84 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.729 79.7 44.1 -78.6 -23.1 21.7 11.3 202.3 12 27 A V S > S+ 0 0 8 -4,-0.4 3,-2.2 1,-0.1 -1,-0.2 -0.567 73.1 172.0-119.7 68.4 24.1 8.3 201.8 13 28 A P T 3 S+ 0 0 28 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.496 71.8 58.1 -59.3 -6.5 23.9 6.7 205.3 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.501 81.1 108.8-101.9 -6.6 25.9 3.5 204.3 15 30 A Q E < -G 28 0C 8 -3,-2.2 37,-0.4 13,-0.2 2,-0.3 -0.481 49.7-171.8 -68.3 128.9 28.8 5.5 203.2 16 31 A V E -G 27 0C 0 11,-2.4 11,-1.0 -2,-0.4 2,-0.4 -0.860 17.9-140.2-120.0 158.2 31.9 5.2 205.4 17 32 A S E -GH 26 49C 2 32,-2.5 32,-2.1 -2,-0.3 2,-0.6 -0.937 16.2-141.2-109.9 131.4 35.2 7.1 205.5 18 33 A L E -GH 25 48C 0 7,-3.3 6,-2.5 -2,-0.4 7,-1.0 -0.863 24.7-166.3 -97.3 125.7 38.4 5.0 206.3 19 34 A N E +GH 23 47C 24 28,-2.9 28,-2.4 -2,-0.6 4,-0.2 -0.893 32.8 162.3-117.7 138.3 40.8 6.9 208.5 20 37 A S S S- 0 0 35 2,-3.0 3,-0.1 -2,-0.4 -1,-0.1 -0.178 97.7 -47.0-141.1 43.2 44.3 6.5 209.4 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.190 141.2 25.7 105.0 -10.1 45.1 9.9 210.7 22 39 A Y S S- 0 0 113 -4,-0.0 -2,-3.0 0, 0.0 2,-0.3 -0.902 101.4 -83.6-171.3 158.2 43.4 11.1 207.5 23 40 A H E +G 19 0C 26 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.554 48.9 159.7 -68.4 123.9 40.7 9.8 205.1 24 41 A F E + 0 0 6 -6,-2.5 213,-1.4 1,-0.5 2,-0.3 0.502 60.2 2.0-127.0 -13.6 42.4 7.6 202.5 25 42 A b E -G 18 0C 0 -7,-1.0 -7,-3.3 211,-0.1 -1,-0.5 -0.967 62.6-121.2-162.8 169.5 39.5 5.5 201.2 26 43 A G E +G 17 0C 2 151,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.406 25.6 175.9-106.9-178.5 35.8 4.9 201.3 27 44 A G E -G 16 0C 0 -11,-1.0 -11,-2.4 -2,-0.2 2,-0.4 -0.942 24.3-114.7-171.9 179.1 33.7 1.9 202.2 28 45 A S E -GI 15 36C 2 8,-1.8 8,-2.7 -2,-0.3 2,-0.5 -1.000 19.6-128.3-136.8 132.2 30.1 0.7 202.6 29 46 A L E + I 0 35C 0 -15,-2.3 74,-2.5 -2,-0.4 6,-0.2 -0.680 27.9 173.7 -77.7 118.7 28.4 -0.6 205.8 30 47 A I - 0 0 20 4,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.667 67.7 -11.7-103.6 -19.6 26.8 -3.9 204.9 31 48 A N S S- 0 0 49 3,-1.3 3,-0.4 70,-0.1 -1,-0.3 -0.908 89.4 -73.9-159.7-178.0 25.7 -4.7 208.4 32 49 A S S S+ 0 0 43 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.712 127.5 25.1 -60.7 -22.6 26.2 -3.5 212.0 33 50 A Q S S+ 0 0 63 60,-0.2 57,-4.2 1,-0.1 2,-0.4 0.468 111.2 67.6-123.7 -0.6 29.7 -4.9 212.2 34 51 A W E - J 0 89C 9 -3,-0.4 -4,-2.4 55,-0.3 -3,-1.3 -0.991 48.0-171.8-134.2 134.6 31.1 -5.2 208.7 35 52 A V E -IJ 29 88C 0 53,-2.4 53,-2.4 -2,-0.4 2,-0.5 -0.839 15.4-143.8-114.6 147.8 32.2 -2.8 206.1 36 53 A V E +IJ 28 87C 2 -8,-2.7 -8,-1.8 -2,-0.3 2,-0.2 -0.958 31.5 153.7-115.1 128.1 33.2 -3.6 202.4 37 54 A S E - J 0 86C 0 49,-2.1 49,-2.0 -2,-0.5 2,-0.3 -0.630 48.1 -68.1-128.2-163.8 36.0 -1.7 200.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.2 47,-0.3 -0.737 34.3-131.2 -93.1 141.3 38.6 -2.2 198.0 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.822 108.3 61.7 -62.9 -28.8 41.4 -4.6 198.6 40 57 A H G 3 S+ 0 0 15 1,-0.3 -1,-0.3 41,-0.1 194,-0.0 0.634 92.7 67.9 -73.5 -10.3 43.9 -2.0 197.5 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 195,-0.0 -2,-0.2 0.446 74.1 133.4 -85.7 1.0 42.7 0.0 200.4 42 59 A Y < + 0 0 131 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.1 -0.204 20.3 136.4 -58.1 137.4 44.3 -2.5 202.8 43 60 A K - 0 0 55 3,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.980 47.3-106.4-166.1 163.0 46.3 -1.1 205.6 44 61 A S S S+ 0 0 90 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.609 89.7 34.4 -99.2 163.4 46.6 -1.6 209.3 45 62 A G S S+ 0 0 69 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.991 77.6 170.3 62.3 61.6 45.4 0.5 212.2 46 63 A I - 0 0 10 -3,-0.2 21,-1.9 21,-0.1 2,-0.4 -0.832 23.7-159.1-105.4 141.9 42.3 1.7 210.5 47 64 A Q E -HK 19 66C 52 -28,-2.4 -28,-2.9 -2,-0.4 2,-0.4 -0.974 14.9-139.6-116.8 135.8 39.4 3.6 212.1 48 65 A V E -HK 18 65C 0 17,-3.3 17,-2.5 -2,-0.4 2,-0.6 -0.816 10.9-155.4 -96.8 133.1 36.0 3.6 210.5 49 66 A R E -HK 17 64C 51 -32,-2.1 -32,-2.5 -2,-0.4 3,-0.3 -0.948 14.8-178.3-116.9 114.0 34.0 6.8 210.4 50 67 A L E + K 0 63C 1 13,-3.1 13,-1.2 -2,-0.6 -34,-0.1 -0.665 61.6 26.3-105.4 160.2 30.2 6.6 210.2 51 69 A G S S+ 0 0 8 48,-0.3 10,-0.2 -36,-0.3 -1,-0.2 0.656 86.6 157.1 62.0 18.9 27.6 9.2 210.0 52 70 A E + 0 0 14 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.464 21.1 151.3 -78.9 150.9 30.1 11.6 208.4 53 71 A D S S+ 0 0 17 1,-0.3 2,-1.0 4,-0.3 82,-0.2 0.317 79.7 29.8-132.7 -71.9 29.4 14.6 206.2 54 72 A N S > S- 0 0 29 3,-0.2 3,-1.4 80,-0.2 -1,-0.3 -0.788 73.0-160.7 -92.7 109.5 32.1 17.1 206.7 55 73 A I T 3 S+ 0 0 33 78,-2.3 -1,-0.2 -2,-1.0 79,-0.1 0.538 87.6 54.4 -67.6 -5.4 35.0 14.9 207.5 56 74 A N T 3 S+ 0 0 122 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.474 105.4 57.7-105.0 -3.2 36.9 17.8 209.1 57 75 A V S < S- 0 0 73 -3,-1.4 2,-0.8 76,-0.2 -4,-0.3 -0.989 76.8-131.2-132.2 129.2 34.2 18.9 211.5 58 76 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.636 30.5 171.7 -78.0 110.9 32.4 16.9 214.3 59 77 A E - 0 0 97 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.477 50.5-107.2-102.4 -4.4 28.8 17.6 213.6 60 78 A G S S+ 0 0 59 1,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.671 98.9 86.7 93.6 18.1 27.4 15.1 216.1 61 79 A N + 0 0 57 -10,-0.2 2,-0.1 -11,-0.1 -9,-0.1 0.313 66.4 115.6-121.4 -1.6 26.0 12.2 214.1 62 80 A E - 0 0 35 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.2 -0.425 45.0-166.9 -78.4 150.1 29.3 10.4 213.9 63 81 A Q E -K 50 0C 33 -13,-1.2 -13,-3.1 -2,-0.1 2,-0.5 -0.992 9.4-161.0-130.1 123.9 30.3 7.0 215.2 64 82 A F E +K 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.966 18.3 170.8-112.4 112.8 34.1 6.3 215.2 65 83 A I E -K 48 0C 12 -17,-2.5 -17,-3.3 -2,-0.5 2,-0.1 -0.994 27.5-129.3-131.7 133.3 34.9 2.5 215.5 66 84 A S E -K 47 0C 55 -2,-0.4 25,-3.2 -19,-0.2 26,-0.3 -0.446 28.3-111.1 -77.0 151.9 38.2 0.7 215.1 67 85 A A E -L 90 0C 20 -21,-1.9 23,-0.3 23,-0.2 3,-0.1 -0.566 21.5-166.6 -77.8 142.4 38.5 -2.2 212.9 68 86 A S E S- 0 0 56 21,-4.2 2,-0.3 1,-0.4 22,-0.2 0.759 72.6 -1.6 -99.7 -22.4 39.0 -5.5 214.8 69 87 A K E -L 89 0C 85 20,-1.0 20,-3.3 2,-0.0 -1,-0.4 -0.955 57.4-154.2-163.7 150.1 40.0 -7.5 211.6 70 88 A S E -L 88 0C 41 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.995 6.9-166.3-130.5 135.0 40.4 -7.1 207.8 71 89 A I E -L 87 0C 36 16,-3.1 16,-2.4 -2,-0.4 2,-0.2 -0.927 6.8-156.3-129.9 106.9 40.2 -9.8 205.2 72 90 A V E -L 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.554 42.0 -87.1 -77.0 144.5 41.4 -9.2 201.7 73 91 A H > - 0 0 23 12,-2.1 3,-2.0 10,-0.2 -1,-0.1 -0.217 37.0-121.0 -49.6 133.3 39.8 -11.5 199.0 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.775 109.2 39.6 -53.1 -25.4 41.8 -14.7 198.7 75 93 A S T 3 S+ 0 0 70 8,-0.1 2,-0.1 2,-0.1 7,-0.1 0.127 75.2 147.1-113.9 22.4 42.5 -14.0 195.0 76 94 A Y < - 0 0 51 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.414 32.0-159.4 -58.1 130.9 43.1 -10.4 195.0 77 95 A N B >> -M 82 0D 66 5,-2.5 4,-2.4 -2,-0.1 5,-0.5 -0.951 7.9-167.1-115.6 106.4 45.7 -9.6 192.3 78 96 A S T 45S+ 0 0 52 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.506 84.4 59.2 -73.1 -7.5 47.4 -6.3 193.0 79 97 A N T 45S+ 0 0 52 3,-0.1 -1,-0.2 194,-0.0 -3,-0.0 0.822 124.3 15.7 -86.7 -44.1 48.9 -6.3 189.5 80 98 A T T 45S- 0 0 48 2,-0.1 -2,-0.2 -3,-0.1 77,-0.1 0.592 99.2-125.7-104.3 -11.1 45.7 -6.4 187.5 81 99 A L T ><5 + 0 0 14 -4,-2.4 3,-0.6 1,-0.3 2,-0.2 0.697 50.7 161.0 70.3 27.3 43.4 -5.5 190.3 82 100 A N B 3 < +M 77 0D 33 -5,-0.5 -5,-2.5 1,-0.2 -1,-0.3 -0.590 64.2 18.2 -79.4 139.6 41.3 -8.5 189.8 83 101 A N T 3 S- 0 0 19 -2,-0.2 2,-1.7 -7,-0.2 -1,-0.2 0.933 78.3-179.4 62.7 50.8 39.1 -9.4 192.8 84 102 A D < + 0 0 0 -3,-0.6 2,-0.3 75,-0.2 -1,-0.2 -0.582 35.9 112.0 -84.5 72.9 39.5 -5.9 194.3 85 103 A I + 0 0 0 -2,-1.7 -12,-2.1 -47,-0.3 2,-0.3 -0.999 37.1 177.6-148.2 145.7 37.4 -6.4 197.4 86 104 A M E -JL 37 72C 0 -49,-2.0 -49,-2.1 -2,-0.3 2,-0.4 -0.990 18.7-138.7-148.5 150.3 38.0 -6.6 201.2 87 105 A L E -JL 36 71C 0 -16,-2.4 -16,-3.1 -2,-0.3 2,-0.4 -0.911 14.5-165.3-113.4 139.7 35.9 -7.1 204.3 88 106 A I E -JL 35 70C 0 -53,-2.4 -53,-2.4 -2,-0.4 2,-0.5 -0.996 8.7-148.7-128.8 126.6 36.5 -5.2 207.6 89 107 A K E -JL 34 69C 45 -20,-3.3 -21,-4.2 -2,-0.4 -20,-1.0 -0.833 19.0-128.0 -98.4 131.9 35.0 -6.1 211.0 90 108 A L E - 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0 0 31 -88,-1.3 -72,-0.3 -2,-0.3 2,-0.2 -0.886 43.9-115.2-133.3 159.5 22.4 2.4 207.8 102 120 A S - 0 0 52 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.522 26.3-124.1 -93.9 167.5 23.6 -0.5 205.9 103 121 A I - 0 0 15 -74,-2.5 83,-0.1 -2,-0.2 2,-0.1 -0.866 24.4-112.8-112.9 141.5 23.2 -1.2 202.2 104 122 A S B -c 186 0B 67 81,-0.5 83,-2.5 -2,-0.4 -73,-0.1 -0.385 27.3-126.5 -70.4 146.4 21.7 -4.3 200.7 105 123 A L - 0 0 41 81,-0.2 83,-0.1 -75,-0.1 -1,-0.1 -0.671 34.5 -97.5 -91.6 150.7 23.9 -6.7 198.7 106 124 A P - 0 0 2 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.173 20.5-163.2 -69.1 156.7 22.9 -7.6 195.2 107 125 A T S S+ 0 0 137 1,-0.4 2,-0.3 106,-0.0 -2,-0.0 0.410 79.8 10.1-113.3 -1.7 21.0 -10.8 194.3 108 127 A S S S- 0 0 77 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.978 90.0 -82.6-166.7 160.2 21.9 -10.4 190.7 109 128 A c - 0 0 63 -2,-0.3 2,-0.1 -3,-0.1 79,-0.1 -0.472 41.4-124.0 -74.5 140.9 24.1 -8.5 188.3 110 129 A A - 0 0 35 -2,-0.2 2,-0.3 78,-0.1 -1,-0.1 -0.419 28.9-121.5 -78.0 156.3 22.9 -5.1 187.1 111 130 A S > - 0 0 80 1,-0.1 3,-1.9 -2,-0.1 31,-0.3 -0.734 30.5 -83.2-103.1 155.6 22.7 -4.6 183.4 112 132 A A T 3 S+ 0 0 61 -2,-0.3 31,-0.2 1,-0.2 -1,-0.1 -0.048 113.4 31.3 -47.4 145.3 24.4 -2.1 181.1 113 133 A G T 3 S+ 0 0 53 29,-4.2 -1,-0.2 1,-0.3 30,-0.1 0.142 84.0 137.2 90.2 -23.2 22.6 1.3 180.9 114 134 A T < - 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