==== 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 1UTL . 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) . 9686.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.8 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 . 19 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.6 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 2 0 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 M I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 126.3 25.8 21.2 65.4 2 17 M V B +A 170 0A 16 168,-3.1 168,-1.8 1,-0.2 123,-0.1 -0.902 360.0 0.8-106.0 126.7 29.4 21.5 64.5 3 18 M G S S+ 0 0 42 -2,-0.5 -1,-0.2 121,-0.5 2,-0.1 0.682 99.8 115.7 77.2 20.6 31.3 24.8 64.8 4 19 M G - 0 0 28 -3,-0.2 2,-0.3 166,-0.1 133,-0.2 -0.111 61.4-109.7-101.2-156.6 28.5 26.8 66.3 5 20 M Y E -B 136 0B 111 131,-2.3 131,-3.4 -3,-0.1 2,-0.3 -0.869 40.9 -85.1-133.1 162.1 27.9 28.6 69.6 6 21 M E E -B 135 0B 85 -2,-0.3 129,-0.3 129,-0.2 128,-0.1 -0.543 49.8-117.0 -73.0 131.0 25.5 27.8 72.4 7 22 M a - 0 0 1 127,-2.5 3,-0.1 -2,-0.3 -1,-0.1 -0.407 30.4-103.6 -64.4 147.4 22.1 29.3 71.8 8 23 M K > - 0 0 152 1,-0.1 3,-2.2 -2,-0.1 4,-0.3 -0.511 58.8 -86.9 -65.5 135.8 21.0 31.9 74.3 9 24 M P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 -0.284 109.1 0.5 -55.6 128.2 18.5 30.0 76.4 10 25 M Y T 3 S+ 0 0 63 42,-0.3 43,-0.1 2,-0.1 -2,-0.1 0.644 91.9 124.2 68.8 18.5 14.9 30.1 74.9 11 26 M S S < S+ 0 0 52 -3,-2.2 -1,-0.1 1,-0.3 3,-0.1 0.632 78.2 43.2 -80.7 -13.6 16.2 32.2 72.0 12 27 M Q S > S+ 0 0 35 -4,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.575 72.7 167.2-126.5 68.2 14.8 29.5 69.6 13 28 M P T 3 S+ 0 0 33 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.580 70.6 62.6 -63.9 -9.6 11.4 28.9 71.4 14 29 M H T 3 S+ 0 0 14 86,-0.2 15,-2.5 88,-0.1 2,-0.2 0.570 79.6 109.8 -87.7 -13.5 10.0 26.9 68.4 15 30 M Q E < -J 28 0C 6 -3,-2.2 36,-0.5 13,-0.2 37,-0.4 -0.458 47.5-177.2 -68.2 128.9 12.7 24.2 68.8 16 31 M V E -J 27 0C 1 11,-2.2 11,-1.1 -2,-0.2 2,-0.5 -0.890 21.5-136.2-125.5 156.9 11.5 20.9 70.1 17 32 M S E -JK 26 49C 1 32,-2.3 32,-2.6 -2,-0.3 2,-0.6 -0.950 14.1-143.0-109.7 129.6 13.2 17.6 71.0 18 33 M L E -JK 25 48C 0 7,-3.2 6,-2.6 -2,-0.5 7,-1.1 -0.877 25.9-165.9 -92.9 123.2 11.6 14.4 69.8 19 34 M N E +JK 23 47C 18 28,-2.9 28,-2.2 -2,-0.6 4,-0.2 -0.909 31.3 164.5-118.2 134.1 12.2 11.9 72.6 20 37 M S S S- 0 0 63 2,-2.4 2,-1.7 -2,-0.4 -2,-0.0 -0.685 96.0 -47.0-142.4 73.7 11.8 8.1 72.6 21 38 M G S S+ 0 0 60 -2,-0.2 2,-0.3 3,-0.0 -2,-0.1 -0.443 141.8 27.1 90.3 -56.2 13.6 7.3 75.8 22 39 M Y S S- 0 0 168 -2,-1.7 -2,-2.4 -4,-0.0 2,-0.1 -0.820 103.8 -84.0-129.7 161.6 16.4 9.6 74.5 23 40 M H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.489 51.1 162.2 -63.1 134.9 16.4 12.6 72.2 24 41 M F E + 0 0 61 -6,-2.6 2,-0.3 1,-0.5 150,-0.3 0.506 58.2 5.1-132.7 -14.3 16.6 11.3 68.6 25 42 M b E -J 18 0C 6 -7,-1.1 -7,-3.2 150,-0.1 -1,-0.5 -0.971 62.9-126.1-163.0 162.2 15.6 14.2 66.4 26 43 M G E +J 17 0C 1 150,-3.3 12,-0.4 -2,-0.3 2,-0.3 -0.479 26.0 175.9-104.6-179.2 14.6 17.8 66.5 27 44 M G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.954 25.0-111.9-169.9 178.1 11.5 19.5 65.1 28 45 M S E -JL 15 36C 0 8,-2.6 8,-3.1 -2,-0.3 2,-0.5 -0.993 18.0-131.7-133.2 131.6 9.7 22.9 65.0 29 46 M L E + L 0 35C 0 -15,-2.5 74,-2.4 -2,-0.4 6,-0.2 -0.671 26.0 174.1 -78.6 123.3 6.5 24.0 66.6 30 47 M V E - 0 0 18 4,-2.4 2,-0.3 -2,-0.5 75,-0.2 0.548 67.6 -13.0-106.4 -14.1 4.4 25.7 63.9 31 48 M N E > S- L 0 34C 37 3,-1.1 3,-0.6 73,-0.1 -1,-0.4 -0.939 89.2 -74.5-170.3 173.4 1.2 26.3 66.0 32 49 M E T 3 S+ 0 0 87 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.711 128.5 30.8 -54.5 -22.5 -0.2 25.1 69.3 33 50 M N T 3 S+ 0 0 38 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.562 109.8 66.2-114.0 -10.9 -1.1 21.6 67.9 34 51 M W E < -LM 31 89C 6 -3,-0.6 -4,-2.4 55,-0.2 -3,-1.1 -0.941 46.8-171.1-128.2 144.1 1.5 20.8 65.2 35 52 M V E -LM 29 88C 0 53,-2.4 53,-2.6 -2,-0.4 2,-0.4 -0.962 15.6-145.3-125.4 136.5 5.2 20.2 64.9 36 53 M V E +LM 28 87C 0 -8,-3.1 -8,-2.6 -2,-0.4 2,-0.2 -0.880 33.5 147.0-102.0 134.7 7.2 19.9 61.7 37 54 M S E - M 0 86C 0 49,-2.6 49,-2.3 -2,-0.4 2,-0.4 -0.753 49.2 -68.5-147.1-170.0 10.1 17.4 61.5 38 55 M A > - 0 0 0 -12,-0.4 3,-2.0 47,-0.3 47,-0.3 -0.790 30.8-135.5 -93.2 139.4 11.9 15.1 59.0 39 56 M A G > S+ 0 0 1 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.795 104.6 65.2 -62.1 -29.6 10.2 12.0 57.7 40 57 M H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 136,-0.0 0.639 95.8 60.7 -69.6 -8.6 13.4 9.9 58.2 41 58 M b G < S+ 0 0 6 -3,-2.0 -1,-0.3 -15,-0.1 -2,-0.2 0.379 80.8 145.8 -93.4 0.2 12.7 10.6 61.9 42 59 M Y < + 0 0 92 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.1 -0.045 15.3 160.8 -45.1 136.4 9.4 8.8 61.7 43 60 M K - 0 0 92 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.950 45.3-123.7-155.2 138.5 8.1 6.9 64.7 44 61 M S S S+ 0 0 85 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.859 99.7 17.3 -54.8 -39.5 4.5 5.9 65.3 45 62 M R S S+ 0 0 195 24,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.996 72.5 170.7-137.5 138.1 4.5 7.6 68.6 46 63 M V - 0 0 9 -2,-0.4 21,-2.4 -3,-0.1 2,-0.6 -0.967 31.6-125.6-143.4 154.9 6.9 10.2 70.0 47 64 M E E -KN 19 66C 62 -28,-2.2 -28,-2.9 -2,-0.3 2,-0.5 -0.939 25.6-147.8-102.9 123.3 7.1 12.4 73.1 48 65 M V E -KN 18 65C 0 17,-3.2 17,-2.9 -2,-0.6 2,-0.6 -0.838 8.8-159.4 -93.4 126.1 7.6 16.1 72.0 49 66 M R E -KN 17 64C 53 -32,-2.6 -32,-2.3 -2,-0.5 2,-0.3 -0.950 14.1-179.8-111.6 116.2 9.6 18.1 74.5 50 67 M L E + N 0 63C 0 13,-2.8 13,-2.0 -2,-0.6 -34,-0.1 -0.761 56.9 36.9-111.8 160.5 9.2 21.9 74.3 51 69 M G S S+ 0 0 3 -36,-0.5 10,-0.2 48,-0.4 2,-0.2 0.796 82.7 149.3 70.2 31.3 10.7 24.7 76.3 52 70 M E + 0 0 13 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.639 24.6 154.5 -98.4 149.7 14.1 23.0 76.6 53 71 M H S S+ 0 0 13 1,-0.4 81,-1.5 4,-0.3 2,-0.7 0.370 83.4 29.0-127.5 -64.9 17.6 24.3 76.7 54 72 M N B > S-P 133 0D 25 3,-0.2 3,-1.0 79,-0.2 -1,-0.4 -0.895 72.6-159.4 -98.7 114.7 19.6 21.6 78.5 55 73 M I T 3 S+ 0 0 22 77,-2.4 -1,-0.1 -2,-0.7 78,-0.1 0.542 87.1 52.1 -74.5 -5.1 17.9 18.3 77.7 56 74 M K T 3 S+ 0 0 121 76,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.457 104.0 61.7-107.1 -3.4 19.4 16.5 80.6 57 75 M V S < S- 0 0 81 -3,-1.0 2,-0.5 75,-0.2 -4,-0.3 -0.973 81.4-122.3-127.6 136.7 18.4 18.9 83.3 58 76 M T + 0 0 122 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.660 30.1 174.3 -76.5 123.8 14.9 20.0 84.4 59 77 M E - 0 0 66 -2,-0.5 -1,-0.2 -8,-0.1 -7,-0.0 0.511 46.2-116.6-107.7 -9.5 14.7 23.8 84.1 60 78 M G S S+ 0 0 69 1,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.341 99.1 87.4 88.6 -5.0 11.0 24.2 84.9 61 79 M S + 0 0 6 -10,-0.2 2,-0.1 38,-0.1 38,-0.1 0.441 63.5 112.7-102.5 -4.0 10.2 25.6 81.5 62 80 M E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.368 43.8-168.6 -78.1 151.6 9.5 22.2 79.8 63 81 M Q E -N 50 0C 34 -13,-2.0 -13,-2.8 -2,-0.1 2,-0.6 -0.991 8.6-160.9-134.3 120.3 6.3 20.8 78.5 64 82 M F E +N 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.942 17.1 175.1-107.5 116.8 6.3 17.1 77.6 65 83 M I E -N 48 0C 3 -17,-2.9 -17,-3.2 -2,-0.6 2,-0.1 -0.977 24.9-132.1-129.1 128.3 3.5 16.2 75.2 66 84 M S E -N 47 0C 65 -2,-0.4 25,-2.6 -19,-0.2 26,-0.3 -0.416 32.8-104.1 -74.1 149.9 2.8 12.9 73.5 67 85 M S E -O 90 0C 19 -21,-2.4 23,-0.3 23,-0.2 3,-0.1 -0.417 22.7-167.6 -74.2 151.6 2.0 12.8 69.8 68 86 M S E S+ 0 0 67 21,-3.9 2,-0.3 1,-0.4 22,-0.2 0.705 77.7 3.3-103.5 -40.7 -1.6 12.2 68.6 69 87 M R E -O 89 0C 102 20,-1.2 20,-3.0 2,-0.0 2,-0.5 -0.988 57.3-156.8-150.2 143.1 -0.7 11.6 65.0 70 88 M V E -O 88 0C 21 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.980 18.6-174.3-125.7 113.4 2.6 11.2 63.0 71 89 M I E -O 87 0C 29 16,-3.4 16,-2.8 -2,-0.5 2,-0.2 -0.921 9.2-159.4-117.9 109.8 2.2 11.9 59.3 72 90 M R E -O 86 0C 116 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.574 41.7 -90.3 -82.0 148.4 5.0 11.5 56.8 73 91 M H > - 0 0 19 12,-2.4 3,-2.3 10,-0.3 -1,-0.1 -0.320 39.4-120.6 -55.6 136.7 4.7 13.3 53.5 74 92 M P T 3 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.762 110.7 46.8 -52.3 -29.1 2.9 10.9 51.1 75 93 M N T 3 S+ 0 0 110 8,-0.1 7,-0.1 2,-0.1 -2,-0.1 0.181 76.6 138.3-102.1 16.3 5.9 10.9 48.7 76 94 M Y < - 0 0 46 -3,-2.3 2,-0.5 9,-0.1 7,-0.2 -0.398 36.7-159.5 -61.3 136.1 8.7 10.4 51.2 77 95 M S B >>> -Q 82 0E 30 5,-1.7 4,-1.7 1,-0.1 5,-0.9 -0.972 19.9-165.7-125.6 120.6 11.2 7.9 49.8 78 96 M S T 345S+ 0 0 86 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.633 87.7 69.2 -74.6 -16.0 13.6 6.0 52.1 79 97 M Y T 345S+ 0 0 222 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.837 125.5 4.4 -70.2 -35.0 15.6 5.0 49.0 80 98 M N T <45S- 0 0 72 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.1 0.332 96.4-116.2-134.4 7.5 16.9 8.6 48.5 81 99 M I T <5 + 0 0 51 -4,-1.7 3,-0.5 1,-0.2 2,-0.2 0.845 57.5 163.8 58.3 35.8 15.5 10.5 51.5 82 100 M D B < +Q 77 0E 25 -5,-0.9 -5,-1.7 1,-0.2 -1,-0.2 -0.552 57.3 18.9 -84.3 152.7 13.3 12.6 49.1 83 101 M N S S- 0 0 20 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.936 79.6-175.6 52.8 51.6 10.4 14.7 50.4 84 102 M D + 0 0 2 -3,-0.5 2,-0.3 74,-0.2 122,-0.2 -0.390 35.0 113.8 -81.1 67.4 11.9 14.5 53.9 85 103 M I + 0 0 0 -2,-2.2 -12,-2.4 -47,-0.3 2,-0.3 -0.982 36.5 177.8-141.5 146.5 9.1 16.2 55.8 86 104 M M E -MO 37 72C 0 -49,-2.3 -49,-2.6 -2,-0.3 2,-0.4 -0.989 18.3-140.3-150.2 148.5 6.7 15.0 58.5 87 105 M L E -MO 36 71C 0 -16,-2.8 -16,-3.4 -2,-0.3 2,-0.5 -0.934 11.1-163.6-113.5 139.9 3.9 16.5 60.6 88 106 M I E -MO 35 70C 0 -53,-2.6 -53,-2.4 -2,-0.4 2,-0.4 -0.987 8.5-150.8-125.0 123.7 3.3 15.5 64.2 89 107 M K E -MO 34 69C 32 -20,-3.0 -21,-3.9 -2,-0.5 -20,-1.2 -0.819 18.7-129.8 -94.6 133.6 -0.0 16.4 65.9 90 108 M L E - 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