==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-JAN-01 1HJ8 . COMPND 2 MOLECULE: TRYPSIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMO SALAR; . AUTHOR H.-K.S.LEIROS,S.M.MCSWEENEY,A.O.SMALAS . 222 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 32.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 17 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 0 1 0 1 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 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 . 4 1 3 5 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 0 0 0 0 1 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 16 A I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.0 60.8 72.1 -9.5 2 17 A V B +A 170 0A 8 168,-3.2 168,-1.7 1,-0.2 123,-0.1 -0.860 360.0 8.3-100.6 127.9 63.6 74.7 -9.8 3 18 A G S S+ 0 0 43 121,-0.6 -1,-0.2 -2,-0.5 168,-0.1 0.648 101.9 113.5 84.6 11.4 65.5 75.8 -6.7 4 19 A G - 0 0 27 -3,-0.3 2,-0.3 166,-0.1 133,-0.2 -0.025 58.5-116.9 -99.1-156.4 64.0 73.3 -4.3 5 20 A Y E -B 136 0B 105 131,-2.5 131,-3.0 -3,-0.1 2,-0.3 -0.945 38.3 -81.5-143.7 156.7 65.1 70.3 -2.4 6 21 A E E -B 135 0B 94 -2,-0.3 129,-0.3 129,-0.2 128,-0.1 -0.506 56.8-110.0 -65.4 126.9 64.4 66.5 -2.3 7 22 A a - 0 0 6 127,-2.7 3,-0.1 -2,-0.3 -1,-0.1 -0.370 35.6-116.3 -57.6 139.5 61.2 66.0 -0.3 8 23 A K > - 0 0 156 1,-0.2 3,-1.6 2,-0.0 4,-0.3 -0.232 42.9 -70.2 -71.9 163.0 61.7 64.3 3.0 9 24 A A T 3 S+ 0 0 67 1,-0.2 -1,-0.2 2,-0.1 44,-0.0 -0.209 115.0 4.0 -55.8 141.7 60.4 61.0 4.1 10 25 A Y T 3 S+ 0 0 168 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.257 99.1 116.8 74.9 5.9 56.6 60.8 4.7 11 26 A S S < S+ 0 0 31 -3,-1.6 -2,-0.1 1,-0.3 3,-0.1 0.708 70.9 26.1 -95.5 -30.2 56.0 64.4 3.6 12 27 A Q > + 0 0 33 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.525 64.6 156.1-123.6 52.1 53.8 64.8 0.4 13 28 A P T 3 + 0 0 22 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.590 69.9 61.7 -72.5 -7.4 51.7 61.6 0.6 14 29 A H T 3 S+ 0 0 13 86,-0.2 15,-2.6 88,-0.1 2,-0.2 0.540 79.5 109.1 -84.5 -14.5 49.0 63.2 -1.5 15 30 A Q E < -J 28 0C 4 -3,-2.1 36,-0.5 13,-0.2 37,-0.4 -0.507 47.3-178.3 -68.9 132.3 51.3 63.7 -4.5 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.2 -2,-0.2 2,-0.5 -0.866 22.4-134.7-124.3 158.6 50.5 61.4 -7.5 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.5 -0.958 15.9-142.2-105.1 129.9 52.1 60.9 -10.9 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.5 -2,-0.5 7,-1.0 -0.861 24.7-165.7 -91.4 130.7 49.9 60.7 -13.9 19 34 A N E +JK 23 47C 14 28,-2.4 28,-2.4 -2,-0.5 4,-0.2 -0.963 33.5 163.2-128.9 131.5 51.2 58.2 -16.4 20 37 A S S S- 0 0 33 2,-2.0 3,-0.1 -2,-0.4 -1,-0.0 -0.296 98.4 -44.5-131.6 44.7 50.4 57.4 -20.0 21 38 A G S S+ 0 0 70 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.248 139.5 23.9 103.9 -8.7 53.5 55.3 -20.8 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.913 102.5 -77.6-175.1 154.4 55.7 57.9 -18.9 23 40 A H E +J 19 0C 39 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.580 52.9 157.5 -63.6 131.1 55.1 60.6 -16.2 24 41 A F E + 0 0 33 -6,-2.5 2,-0.3 1,-0.4 150,-0.2 0.544 58.1 4.3-130.4 -18.8 53.5 63.6 -17.8 25 42 A b E -J 18 0C 6 -7,-1.0 -7,-3.2 150,-0.1 -1,-0.4 -0.977 62.4-123.1-160.1 157.3 51.7 65.5 -15.0 26 43 A G E +J 17 0C 1 150,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.420 26.4 176.9 -91.8-179.4 51.2 65.6 -11.2 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.947 23.7-117.4-170.3 176.4 48.0 65.5 -9.2 28 45 A S E -JL 15 36C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.4 -0.991 17.9-130.8-132.6 127.5 46.8 65.4 -5.6 29 46 A L E + L 0 35C 0 -15,-2.6 74,-2.5 -2,-0.4 6,-0.2 -0.608 26.3 175.5 -72.9 128.0 44.7 62.7 -3.8 30 47 A V E - 0 0 17 4,-2.6 2,-0.3 -2,-0.4 75,-0.2 0.574 66.3 -10.6-116.0 -9.8 41.8 64.4 -2.1 31 48 A N E > S- L 0 34C 32 3,-1.1 3,-0.5 73,-0.1 -1,-0.3 -0.912 90.2 -76.1-166.6-176.8 40.0 61.3 -0.8 32 49 A E T 3 S+ 0 0 90 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.728 128.2 33.0 -63.6 -22.2 40.2 57.5 -1.3 33 50 A N T 3 S+ 0 0 39 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.504 109.8 60.3-112.9 -6.8 38.4 57.8 -4.7 34 51 A W E < -LM 31 89C 0 -3,-0.5 -4,-2.6 55,-0.2 -3,-1.1 -0.974 47.7-165.9-140.4 142.9 39.4 61.1 -6.3 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.5 -0.957 14.7-144.8-120.5 140.7 42.5 63.1 -7.6 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.3 -2,-0.4 51,-0.2 -0.908 34.4 146.6-103.0 132.4 42.6 66.8 -8.4 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.5 2,-0.4 -0.682 50.2 -68.3-143.0-166.4 44.9 67.8 -11.3 38 55 A A > - 0 0 0 -12,-0.4 3,-2.1 47,-0.3 47,-0.3 -0.792 31.2-134.0 -96.3 137.1 45.1 70.5 -14.1 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.791 105.9 65.1 -58.1 -30.8 42.6 70.4 -17.0 40 57 A H G 3 S+ 0 0 72 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.608 94.5 61.1 -70.5 -7.9 45.5 70.9 -19.5 41 58 A b G < S+ 0 0 4 -3,-2.1 -1,-0.3 -15,-0.1 -2,-0.2 0.285 80.5 141.3 -91.8 4.4 46.8 67.5 -18.3 42 59 A Y < + 0 0 89 -3,-1.9 2,-0.3 -4,-0.0 -3,-0.1 -0.189 16.6 158.8 -57.2 135.9 43.6 65.8 -19.6 43 60 A K - 0 0 65 1,-0.0 3,-0.1 3,-0.0 -2,-0.1 -0.934 50.3-114.9-141.5 154.3 43.7 62.4 -21.3 44 61 A S S S+ 0 0 94 -2,-0.3 2,-0.3 1,-0.2 26,-0.1 0.778 101.4 14.6 -69.6 -26.1 40.6 60.2 -21.6 45 62 A R S S+ 0 0 120 24,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.990 71.9 176.2-144.6 146.9 42.2 57.6 -19.4 46 63 A V - 0 0 0 -2,-0.3 21,-2.5 -3,-0.1 2,-0.6 -0.978 30.0-124.1-141.9 151.0 45.3 57.8 -17.2 47 64 A E E -KN 19 66C 47 -28,-2.4 -28,-2.4 -2,-0.3 2,-0.5 -0.912 26.8-147.0 -95.2 125.4 47.1 55.6 -14.8 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.8 -2,-0.6 2,-0.6 -0.810 8.0-158.6 -93.5 125.3 47.5 57.2 -11.4 49 66 A R E -KN 17 64C 52 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.934 15.3-179.0-112.3 112.1 50.7 56.3 -9.5 50 67 A L E + N 0 63C 2 13,-3.0 13,-2.1 -2,-0.6 -34,-0.1 -0.695 57.3 36.0-104.2 158.4 50.4 56.8 -5.7 51 69 A G S S+ 0 0 6 -36,-0.5 2,-0.4 48,-0.4 10,-0.2 0.723 81.6 150.4 74.1 20.6 53.0 56.3 -3.0 52 70 A E + 0 0 18 -37,-0.4 -1,-0.2 -3,-0.3 3,-0.1 -0.699 23.2 153.6 -89.9 139.6 55.9 57.4 -5.2 53 71 A H S S+ 0 0 48 -2,-0.4 81,-2.2 1,-0.3 2,-0.7 0.631 85.1 28.2-115.9 -58.8 59.1 59.1 -4.2 54 72 A N B > S-P 133 0D 22 79,-0.2 3,-1.5 3,-0.2 -1,-0.3 -0.912 72.0-161.1-101.4 110.9 61.5 58.0 -7.0 55 73 A I T 3 S+ 0 0 28 77,-1.9 -1,-0.1 -2,-0.7 78,-0.1 0.655 88.9 54.0 -71.7 -11.4 59.3 57.5 -10.1 56 74 A K T 3 S+ 0 0 137 76,-0.3 2,-0.4 -3,-0.0 -1,-0.3 0.489 103.1 63.9 -97.1 -6.1 62.0 55.4 -11.8 57 75 A V S < S- 0 0 74 -3,-1.5 2,-0.9 75,-0.2 -4,-0.2 -0.954 77.4-129.3-124.0 140.9 62.4 52.9 -8.9 58 76 A T + 0 0 128 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.743 32.5 170.6 -90.3 109.1 60.0 50.3 -7.5 59 77 A E - 0 0 78 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.643 48.5-114.1 -95.9 -18.7 60.2 51.1 -3.8 60 78 A G S S+ 0 0 68 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.259 99.3 88.5 97.6 -5.3 57.3 48.9 -2.6 61 79 A S + 0 0 18 -10,-0.2 2,-0.1 38,-0.0 38,-0.1 0.417 64.9 111.6 -95.1 -7.1 55.1 51.8 -1.5 62 80 A E - 0 0 36 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.400 44.4-168.0 -80.3 149.7 53.4 52.4 -4.8 63 81 A Q E -N 50 0C 34 -13,-2.1 -13,-3.0 -2,-0.1 2,-0.5 -0.996 7.6-160.6-125.5 128.9 49.9 51.8 -5.9 64 82 A F E +N 49 0C 86 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.961 18.4 173.8-108.6 119.5 49.1 52.0 -9.7 65 83 A I E -N 48 0C 5 -17,-2.8 -17,-3.0 -2,-0.5 2,-0.1 -0.989 25.7-133.0-134.9 123.2 45.3 52.6 -10.3 66 84 A S E -N 47 0C 54 -2,-0.4 25,-2.7 -19,-0.2 26,-0.2 -0.413 29.4-111.0 -68.0 147.5 43.6 53.2 -13.6 67 85 A S E -O 90 0C 16 -21,-2.5 23,-0.3 23,-0.2 3,-0.1 -0.522 21.4-168.8 -68.6 146.8 41.2 56.1 -13.9 68 86 A S E S+ 0 0 66 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.589 78.8 15.4-102.9 -21.4 37.5 55.3 -14.3 69 87 A R E -O 89 0C 79 20,-1.1 20,-2.5 2,-0.0 2,-0.4 -0.968 57.4-165.3-148.2 142.6 36.5 59.0 -15.2 70 88 A V E -O 88 0C 19 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.995 16.9-174.8-129.2 118.2 38.5 62.0 -16.1 71 89 A I E -O 87 0C 50 16,-3.2 16,-2.5 -2,-0.4 2,-0.2 -0.930 9.8-158.0-127.6 104.4 36.5 65.3 -15.8 72 90 A R E -O 86 0C 114 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.518 41.6 -89.8 -71.0 150.2 37.8 68.7 -16.9 73 91 A H > - 0 0 15 12,-2.4 3,-1.8 10,-0.3 -1,-0.1 -0.377 39.8-123.6 -53.8 137.0 36.2 71.8 -15.4 74 92 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.683 108.4 47.1 -65.0 -17.3 33.3 72.7 -17.8 75 93 A N T 3 S+ 0 0 105 8,-0.1 7,-0.1 2,-0.1 -2,-0.1 0.173 76.4 142.3-109.5 17.7 34.7 76.2 -18.4 76 94 A Y < - 0 0 56 -3,-1.8 2,-0.4 9,-0.1 7,-0.2 -0.360 30.4-168.3 -57.2 138.2 38.3 75.2 -19.1 77 95 A S B >>> -Q 82 0E 32 5,-1.9 5,-1.4 1,-0.1 4,-0.7 -0.975 14.9-164.3-134.9 115.2 39.7 77.4 -21.9 78 96 A S T 345S+ 0 0 88 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.827 82.6 67.8 -76.6 -27.7 43.0 76.6 -23.5 79 97 A Y T 345S+ 0 0 196 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.834 124.0 14.4 -62.0 -31.3 43.7 79.9 -25.2 80 98 A N T <45S- 0 0 38 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.240 102.2-120.0-125.3 2.6 44.1 81.6 -21.8 81 99 A I T <5 + 0 0 46 -4,-0.7 3,-0.5 -3,-0.2 2,-0.2 0.838 54.0 168.1 53.6 38.0 44.5 78.5 -19.6 82 100 A D B < +Q 77 0E 30 -5,-1.4 -5,-1.9 1,-0.2 -1,-0.2 -0.568 56.7 13.8 -82.3 145.0 41.5 79.6 -17.6 83 101 A N S S- 0 0 20 -2,-0.2 2,-2.0 -7,-0.2 -10,-0.3 0.932 76.8-178.7 59.4 51.1 39.8 77.2 -15.1 84 102 A D + 0 0 2 -3,-0.5 2,-0.3 74,-0.2 122,-0.2 -0.433 35.9 111.0 -88.1 68.8 42.8 74.8 -15.2 85 103 A I + 0 0 0 -2,-2.0 -12,-2.4 -47,-0.3 2,-0.3 -0.989 38.1 178.2-145.5 146.3 41.4 72.1 -12.9 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.992 19.8-137.4-151.6 149.6 40.2 68.5 -13.4 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.2 -2,-0.3 2,-0.5 -0.907 13.2-164.7-110.8 138.1 38.9 65.6 -11.3 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.5 -0.991 9.5-149.6-122.4 122.3 40.1 62.0 -11.9 89 107 A K E -MO 34 69C 31 -20,-2.5 -21,-2.8 -2,-0.5 -20,-1.1 -0.806 17.6-130.1 -91.0 131.9 38.0 59.2 -10.3 90 108 A L E - 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