==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-DEC-03 1UTK . COMPND 2 MOLECULE: TRYPSIN I; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMO SALAR; . AUTHOR H.-K.S.LEIROS,B.O.BRANDSDAL,O.A.ANDERSEN,V.OS,I.LEIROS, . 222 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.9 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 . 71 32.0 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 . 16 7.2 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 1 0 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 2 2 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 0 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.6 60.1 72.7 -9.9 2 17 A V B +A 170 0A 10 168,-3.2 168,-2.0 1,-0.2 123,-0.1 -0.856 360.0 4.0-101.0 130.5 62.9 75.2 -10.2 3 18 A G S S+ 0 0 42 121,-0.6 -1,-0.2 -2,-0.4 122,-0.1 0.663 102.9 114.6 71.8 20.7 65.0 76.3 -7.3 4 19 A G - 0 0 27 -3,-0.3 2,-0.3 120,-0.1 133,-0.2 -0.037 59.2-116.3 -98.8-150.2 63.4 73.9 -4.8 5 20 A Y E -B 136 0B 103 131,-2.6 131,-3.0 -3,-0.1 2,-0.3 -0.963 38.4 -80.0-144.6 158.2 64.6 70.9 -2.9 6 21 A E E -B 135 0B 87 -2,-0.3 129,-0.3 129,-0.2 128,-0.1 -0.451 53.6-120.7 -61.0 125.0 63.8 67.2 -2.8 7 22 A a - 0 0 1 127,-2.7 -1,-0.1 -2,-0.3 3,-0.1 -0.347 30.9 -98.2 -59.8 148.3 60.7 66.8 -0.8 8 23 A K > - 0 0 162 1,-0.1 3,-2.3 2,-0.1 4,-0.3 -0.566 63.3 -90.8 -58.3 128.1 61.0 64.6 2.3 9 24 A P T 3 S+ 0 0 72 0, 0.0 44,-0.1 0, 0.0 -1,-0.1 -0.217 105.6 0.8 -51.3 132.8 59.6 61.4 0.8 10 25 A Y T 3 S+ 0 0 58 42,-0.3 43,-0.1 2,-0.1 -2,-0.1 0.543 90.1 123.1 62.2 18.3 55.8 61.0 1.2 11 26 A S S < S+ 0 0 47 -3,-2.3 -1,-0.1 1,-0.3 3,-0.1 0.660 79.5 46.6 -76.8 -11.9 55.5 64.4 3.0 12 27 A Q S > S+ 0 0 30 -4,-0.3 3,-2.5 1,-0.1 -1,-0.3 -0.566 72.6 165.5-119.4 65.8 53.1 65.4 0.3 13 28 A P T 3 + 0 0 24 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.557 69.5 62.8 -72.1 -2.9 50.9 62.2 0.3 14 29 A H T 3 S+ 0 0 14 86,-0.2 15,-2.6 88,-0.1 2,-0.3 0.586 79.5 109.5 -83.8 -15.2 48.1 63.8 -1.7 15 30 A Q E < -J 28 0C 6 -3,-2.5 36,-0.5 13,-0.2 37,-0.4 -0.480 47.4-179.9 -69.5 127.1 50.5 64.3 -4.7 16 31 A V E -J 27 0C 1 11,-2.6 11,-1.1 -2,-0.3 2,-0.5 -0.857 23.9-133.3-120.7 161.9 49.7 62.1 -7.6 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.6 -2,-0.3 2,-0.5 -0.950 16.0-142.1-107.0 129.3 51.4 61.6 -11.0 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.4 -2,-0.5 7,-1.0 -0.815 26.5-168.4 -91.8 128.0 49.1 61.5 -14.1 19 34 A N E +JK 23 47C 18 28,-2.5 28,-2.5 -2,-0.5 4,-0.2 -0.958 32.6 166.2-129.6 135.5 50.4 58.9 -16.5 20 37 A S S S- 0 0 42 2,-2.1 3,-0.1 -2,-0.4 -1,-0.1 -0.312 97.8 -42.8-134.2 45.4 49.6 58.1 -20.2 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.275 140.7 21.6 107.3 -10.6 52.7 55.9 -20.9 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.1 0, 0.0 2,-0.2 -0.903 101.8 -77.1-174.2 159.2 54.8 58.4 -19.1 23 40 A H E +J 19 0C 39 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.535 52.5 154.9 -67.1 135.0 54.3 61.2 -16.4 24 41 A F E + 0 0 35 -6,-2.4 2,-0.3 1,-0.5 150,-0.3 0.505 59.1 8.8-136.9 -13.0 52.8 64.3 -17.9 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.1 150,-0.1 -1,-0.5 -0.982 62.2-124.8-159.0 161.0 51.0 66.2 -15.1 26 43 A G E +J 17 0C 1 150,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.426 25.6 174.7 -97.1-178.3 50.5 66.3 -11.4 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.6 -2,-0.2 2,-0.4 -0.937 24.2-117.0-171.1 176.1 47.3 66.2 -9.3 28 45 A S E -JL 15 36C 0 8,-2.2 8,-2.8 -2,-0.3 2,-0.3 -0.990 17.4-131.5-133.5 126.9 46.0 66.0 -5.7 29 46 A L E + L 0 35C 0 -15,-2.6 74,-2.7 -2,-0.4 6,-0.3 -0.637 24.9 175.7 -70.9 129.8 43.9 63.4 -4.0 30 47 A V E - 0 0 19 4,-2.7 2,-0.3 -2,-0.3 5,-0.2 0.519 67.6 -10.8-116.2 -13.5 41.0 65.0 -2.2 31 48 A N E > S- L 0 34C 46 3,-1.2 3,-0.5 73,-0.1 -1,-0.3 -0.927 89.8 -76.4-163.2-173.5 39.2 61.9 -1.0 32 49 A E T 3 S+ 0 0 95 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.731 127.7 33.5 -69.6 -13.2 39.4 58.2 -1.6 33 50 A N T 3 S+ 0 0 29 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.602 110.2 60.5-113.2 -8.2 37.7 58.5 -4.9 34 51 A W E < -LM 31 89C 0 -3,-0.5 -4,-2.7 55,-0.2 -3,-1.2 -0.963 48.3-166.3-136.3 145.0 38.7 61.8 -6.5 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.8 -2,-0.4 2,-0.5 -0.957 15.3-144.3-120.3 136.7 41.7 63.8 -7.7 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.2 -2,-0.4 51,-0.2 -0.881 35.1 144.8-101.7 134.5 41.9 67.5 -8.5 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.4 -2,-0.5 2,-0.4 -0.677 49.7 -66.1-144.7-161.9 44.2 68.6 -11.4 38 55 A A > - 0 0 0 -12,-0.4 3,-2.2 47,-0.3 47,-0.3 -0.815 29.6-135.6-102.5 135.0 44.3 71.2 -14.2 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.824 105.6 63.6 -54.3 -31.5 41.9 71.3 -17.1 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 136,-0.0 0.630 95.2 61.6 -73.9 -7.3 44.8 71.8 -19.5 41 58 A b G < S+ 0 0 4 -3,-2.2 -1,-0.3 -15,-0.1 -2,-0.2 0.304 80.0 142.8 -90.5 4.4 46.1 68.4 -18.4 42 59 A Y < + 0 0 99 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.1 -0.202 16.2 159.1 -52.5 131.5 42.9 66.8 -19.7 43 60 A K - 0 0 69 3,-0.0 3,-0.1 1,-0.0 -2,-0.0 -0.944 48.3-119.0-136.8 153.0 43.1 63.4 -21.5 44 61 A S S S+ 0 0 93 -2,-0.3 2,-0.3 1,-0.2 26,-0.1 0.754 99.0 17.3 -70.0 -20.8 39.9 61.2 -21.7 45 62 A R S S+ 0 0 181 24,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.988 72.6 169.9-147.2 137.0 41.5 58.5 -19.7 46 63 A V - 0 0 6 -2,-0.3 21,-2.7 -3,-0.1 2,-0.6 -0.967 33.0-120.7-139.7 159.7 44.6 58.5 -17.4 47 64 A E E -KN 19 66C 59 -28,-2.5 -28,-2.5 -2,-0.3 2,-0.5 -0.924 26.3-147.2 -99.3 122.9 46.4 56.3 -14.9 48 65 A V E -KN 18 65C 0 17,-3.4 17,-3.0 -2,-0.6 2,-0.6 -0.799 9.1-159.8 -91.2 127.6 46.6 58.0 -11.5 49 66 A R E +KN 17 64C 52 -32,-2.6 -32,-2.3 -2,-0.5 3,-0.3 -0.929 15.0 178.7-112.6 112.7 49.8 57.0 -9.7 50 67 A L E + N 0 63C 1 13,-3.1 13,-1.8 -2,-0.6 -34,-0.1 -0.668 56.7 38.8-107.9 161.9 49.6 57.5 -5.9 51 69 A G S S+ 0 0 2 -36,-0.5 2,-0.3 48,-0.4 10,-0.3 0.787 82.3 149.1 73.5 22.6 52.2 56.8 -3.2 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.704 23.9 151.8 -95.0 145.7 55.1 57.9 -5.4 53 71 A H S S+ 0 0 9 1,-0.3 81,-1.7 -2,-0.3 2,-0.7 0.455 85.0 29.2-120.8 -62.6 58.4 59.5 -4.5 54 72 A N B > S-P 133 0D 26 79,-0.2 3,-1.1 3,-0.2 -1,-0.3 -0.879 70.7-163.5 -98.0 110.6 60.8 58.4 -7.3 55 73 A I T 3 S+ 0 0 32 77,-2.1 -1,-0.1 -2,-0.7 78,-0.1 0.572 87.5 54.6 -77.3 -6.1 58.6 57.9 -10.4 56 74 A K T 3 S+ 0 0 134 76,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.455 103.6 60.8 -95.8 -12.9 61.3 55.8 -12.1 57 75 A V S < S- 0 0 76 -3,-1.1 2,-0.7 75,-0.2 -4,-0.2 -0.935 80.3-125.0-125.1 137.6 61.7 53.3 -9.3 58 76 A T + 0 0 125 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.741 33.3 172.1 -81.8 116.9 59.3 50.8 -7.8 59 77 A E - 0 0 68 -2,-0.7 -1,-0.2 -8,-0.1 -7,-0.0 0.590 46.9-115.5-103.7 -20.1 59.3 51.6 -4.0 60 78 A G S S+ 0 0 70 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.343 98.7 88.6 100.3 -6.3 56.5 49.5 -2.8 61 79 A S + 0 0 7 -10,-0.3 38,-0.1 38,-0.1 2,-0.1 0.417 64.7 112.8 -95.9 -6.4 54.3 52.4 -1.7 62 80 A E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.387 42.7-171.2 -79.5 150.6 52.6 52.9 -5.1 63 81 A Q E -N 50 0C 35 -13,-1.8 -13,-3.1 -2,-0.1 2,-0.5 -0.991 8.1-162.8-126.3 129.2 49.1 52.5 -6.1 64 82 A F E +N 49 0C 85 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.969 16.2 173.8-113.6 120.4 48.2 52.8 -9.9 65 83 A I E -N 48 0C 1 -17,-3.0 -17,-3.4 -2,-0.5 2,-0.1 -0.988 26.3-130.8-131.7 124.9 44.5 53.3 -10.5 66 84 A S E -N 47 0C 45 -2,-0.4 25,-2.7 -19,-0.3 26,-0.3 -0.424 29.5-112.3 -66.4 151.8 42.9 54.1 -13.9 67 85 A S E -O 90 0C 6 -21,-2.7 23,-0.2 23,-0.2 3,-0.1 -0.507 23.5-171.6 -74.9 153.4 40.5 57.0 -14.1 68 86 A S E S+ 0 0 66 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.572 77.2 22.4-110.4 -25.1 36.8 56.2 -14.7 69 87 A R E -O 89 0C 66 20,-1.2 20,-2.2 2,-0.0 2,-0.4 -0.995 58.2-168.4-139.6 140.7 35.7 59.9 -15.2 70 88 A V E -O 88 0C 20 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.978 15.9-171.8-129.2 116.8 37.8 62.9 -16.3 71 89 A I E -O 87 0C 46 16,-3.3 16,-2.5 -2,-0.4 2,-0.2 -0.907 7.9-159.4-122.0 105.0 35.8 66.1 -15.8 72 90 A R E -O 86 0C 123 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.488 39.6 -94.5 -69.7 145.4 37.0 69.5 -17.1 73 91 A H > - 0 0 19 12,-2.1 3,-1.8 10,-0.3 -1,-0.1 -0.453 37.0-126.3 -56.7 134.5 35.6 72.6 -15.6 74 92 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.744 105.5 47.3 -58.5 -24.8 32.7 73.5 -17.9 75 93 A N T 3 S+ 0 0 104 8,-0.1 7,-0.1 2,-0.1 -2,-0.1 0.213 74.9 143.8-111.5 23.9 34.0 77.0 -18.4 76 94 A Y < - 0 0 46 -3,-1.8 2,-0.4 9,-0.1 7,-0.2 -0.377 27.4-172.6 -54.8 135.5 37.7 76.2 -19.1 77 95 A S B >>> -Q 82 0E 47 5,-1.9 5,-2.0 1,-0.1 4,-0.8 -0.985 24.9-156.1-137.7 126.5 39.1 78.7 -21.7 78 96 A S T 345S+ 0 0 87 -2,-0.4 -1,-0.1 3,-0.2 -2,-0.0 0.528 83.0 81.2 -80.3 0.4 42.5 78.6 -23.4 79 97 A Y T 345S+ 0 0 191 1,-0.2 -1,-0.2 3,-0.1 75,-0.0 0.919 123.4 2.0 -63.6 -37.6 42.6 82.3 -24.2 80 98 A N T <45S- 0 0 29 -3,-0.7 -2,-0.2 2,-0.0 -1,-0.2 0.208 101.5-110.1-128.5 -3.7 43.7 83.0 -20.7 81 99 A I T <5 + 0 0 42 -4,-0.8 3,-0.5 1,-0.2 -3,-0.2 0.906 61.0 177.5 57.1 45.3 43.9 79.4 -19.4 82 100 A D B < +Q 77 0E 28 -5,-2.0 -5,-1.9 1,-0.2 -1,-0.2 -0.500 54.1 16.0 -85.3 150.8 40.9 80.4 -17.3 83 101 A N S S- 0 0 27 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.913 76.6-178.8 57.1 49.1 39.1 78.0 -15.0 84 102 A D + 0 0 2 -3,-0.5 2,-0.3 74,-0.2 122,-0.2 -0.459 34.4 115.9 -85.3 67.7 42.0 75.6 -15.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.1 -47,-0.3 2,-0.3 -0.997 36.0 177.7-142.2 137.8 40.6 72.9 -13.0 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.6 -2,-0.3 2,-0.4 -0.981 18.9-141.0-141.3 148.8 39.6 69.3 -13.5 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.3 -2,-0.3 2,-0.5 -0.914 11.9-163.4-109.7 137.7 38.2 66.4 -11.5 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.5 -2,-0.4 2,-0.4 -0.985 8.0-151.9-119.5 121.4 39.4 62.8 -12.0 89 107 A K E -MO 34 69C 30 -20,-2.2 -21,-2.9 -2,-0.5 -20,-1.2 -0.791 18.9-128.5 -89.9 133.8 37.2 60.0 -10.5 90 108 A L E - 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