==== 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 1UTM . 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) . 9864.0 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 . 17 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 5.4 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.3 100.3 74.4 -10.2 2 17 A V B +A 170 0A 13 168,-2.8 168,-1.6 1,-0.2 123,-0.1 -0.863 360.0 6.0-102.4 130.1 103.1 77.0 -10.6 3 18 A G S S+ 0 0 38 121,-0.5 -1,-0.2 -2,-0.4 168,-0.1 0.628 102.8 111.8 77.7 16.2 105.1 78.2 -7.6 4 19 A G - 0 0 30 -3,-0.3 2,-0.3 166,-0.1 133,-0.2 0.041 59.6-114.9 -99.8-150.2 103.6 75.7 -5.1 5 20 A Y E -B 136 0B 110 131,-2.3 131,-3.4 -3,-0.1 2,-0.3 -0.960 37.0 -83.6-147.7 158.4 104.8 72.7 -3.1 6 21 A E E -B 135 0B 88 -2,-0.3 129,-0.3 129,-0.2 128,-0.1 -0.509 51.1-121.8 -67.0 127.2 104.1 69.0 -3.0 7 22 A a - 0 0 2 127,-2.3 3,-0.1 -2,-0.3 -1,-0.1 -0.319 29.5 -98.5 -66.1 152.6 101.0 68.3 -0.8 8 23 A K > - 0 0 172 1,-0.1 3,-2.0 2,-0.0 4,-0.2 -0.583 62.4 -85.8 -67.3 133.5 101.4 66.0 2.2 9 24 A P T 3 S- 0 0 79 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 -0.156 108.1 -1.1 -47.8 129.1 100.0 62.7 0.9 10 25 A Y T 3 S+ 0 0 65 42,-0.3 43,-0.1 2,-0.1 -2,-0.0 0.647 89.0 127.0 62.6 22.2 96.2 62.5 1.2 11 26 A S S < S+ 0 0 53 -3,-2.0 -1,-0.1 1,-0.3 3,-0.1 0.607 77.0 45.9 -80.8 -11.3 95.8 65.9 2.9 12 27 A Q S > S+ 0 0 37 -4,-0.2 3,-2.1 1,-0.1 -1,-0.3 -0.563 72.0 169.7-127.5 67.1 93.2 66.8 0.2 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.518 70.4 63.0 -59.8 -9.5 91.1 63.6 0.3 14 29 A H T 3 S+ 0 0 14 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.554 77.8 111.9 -89.7 -15.1 88.3 65.2 -1.9 15 30 A Q E < -J 28 0C 9 -3,-2.1 36,-0.5 13,-0.2 37,-0.4 -0.420 45.0-177.8 -66.0 131.3 90.6 65.7 -4.9 16 31 A V E -J 27 0C 1 11,-2.1 11,-1.1 -2,-0.2 2,-0.4 -0.879 21.8-136.5-128.2 160.2 89.9 63.5 -8.0 17 32 A S E -JK 26 49C 2 32,-1.8 32,-2.6 -2,-0.3 2,-0.5 -0.964 15.5-142.8-114.4 131.0 91.4 63.0 -11.5 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.1 -2,-0.4 7,-0.9 -0.882 25.3-167.5 -94.8 128.1 89.2 62.7 -14.6 19 34 A N E +JK 23 47C 21 28,-2.6 28,-2.0 -2,-0.5 4,-0.2 -0.949 32.5 162.7-128.1 134.8 90.5 60.1 -17.1 20 37 A S S S- 0 0 45 2,-2.0 3,-0.1 -2,-0.4 -1,-0.1 -0.273 97.8 -42.6-138.1 47.0 89.8 59.2 -20.8 21 38 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.202 139.8 20.6 107.3 -10.8 92.9 57.3 -21.6 22 39 A Y S S- 0 0 143 -4,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.929 101.4 -76.2-173.3 162.2 95.0 59.9 -19.8 23 40 A H E +J 19 0C 45 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.570 52.0 156.2 -71.3 133.5 94.5 62.6 -17.1 24 41 A F E + 0 0 33 -6,-2.1 2,-0.3 1,-0.4 150,-0.2 0.534 58.4 5.4-133.5 -16.9 92.8 65.7 -18.6 25 42 A b E -J 18 0C 7 -7,-0.9 -7,-2.8 150,-0.1 -1,-0.4 -0.977 61.4-124.3-162.0 163.1 91.0 67.6 -15.7 26 43 A G E +J 17 0C 2 150,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.477 25.4 175.6-104.2-179.1 90.5 67.6 -11.9 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.1 -2,-0.2 2,-0.4 -0.959 23.9-115.3-171.0 175.7 87.4 67.6 -9.7 28 45 A S E -JL 15 36C 2 8,-2.1 8,-2.6 -2,-0.3 2,-0.5 -0.995 17.4-133.0-133.5 131.5 86.0 67.4 -6.1 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.2 -2,-0.4 6,-0.2 -0.690 24.5 174.8 -80.5 123.5 84.0 64.7 -4.3 30 47 A V E - 0 0 18 4,-2.3 2,-0.3 -2,-0.5 75,-0.2 0.537 66.9 -12.5-106.8 -12.0 81.1 66.4 -2.4 31 48 A N E > S- L 0 34C 48 3,-1.0 3,-0.6 73,-0.1 -1,-0.3 -0.937 89.3 -73.9-171.5 173.4 79.3 63.2 -1.2 32 49 A E T 3 S+ 0 0 98 -2,-0.3 62,-2.4 1,-0.2 60,-0.1 0.709 127.8 30.0 -55.5 -20.9 79.4 59.4 -1.8 33 50 A N T 3 S+ 0 0 26 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.532 109.7 66.1-117.1 -7.8 77.7 59.7 -5.2 34 51 A W E < -LM 31 89C 0 -3,-0.6 -4,-2.3 55,-0.2 -3,-1.0 -0.955 46.9-169.8-131.2 143.9 78.6 63.1 -6.7 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.4 -2,-0.4 2,-0.4 -0.961 14.4-146.3-124.6 138.1 81.6 65.0 -8.1 36 53 A V E +LM 28 87C 2 -8,-2.6 -8,-2.1 -2,-0.4 2,-0.2 -0.889 33.4 143.3-105.6 133.4 81.8 68.8 -9.0 37 54 A S E - M 0 86C 0 49,-2.3 49,-2.0 -2,-0.4 2,-0.4 -0.714 49.5 -65.3-147.2-165.6 84.1 70.0 -11.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.794 29.4-133.8 -98.1 141.8 84.1 72.6 -14.8 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.801 105.4 64.6 -59.8 -30.1 81.7 72.7 -17.7 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 136,-0.0 0.585 93.6 62.1 -71.8 -7.2 84.7 73.2 -20.1 41 58 A b G < S+ 0 0 6 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.270 80.0 147.2 -96.6 7.0 86.0 69.7 -19.1 42 59 A Y < + 0 0 101 -3,-1.6 2,-0.3 -4,-0.1 -3,-0.1 -0.140 14.1 157.6 -53.9 137.4 82.8 68.0 -20.5 43 60 A K - 0 0 74 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.943 48.0-119.0-152.4 143.4 82.9 64.5 -22.1 44 61 A S S S+ 0 0 101 -2,-0.3 2,-0.3 1,-0.2 26,-0.2 0.778 98.8 12.8 -58.8 -29.5 79.8 62.2 -22.4 45 62 A R S S+ 0 0 176 24,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.987 72.2 169.4-149.6 139.6 81.5 59.5 -20.3 46 63 A V - 0 0 10 -2,-0.3 21,-1.8 -3,-0.1 2,-0.5 -0.956 32.5-118.5-147.0 161.8 84.6 59.5 -18.0 47 64 A E E -KN 19 66C 55 -28,-2.0 -28,-2.6 -2,-0.3 2,-0.5 -0.934 26.0-147.7-105.5 126.2 86.5 57.5 -15.4 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.7 -2,-0.5 2,-0.6 -0.846 8.9-159.4 -96.2 124.8 86.8 59.1 -12.0 49 66 A R E +KN 17 64C 57 -32,-2.6 -32,-1.8 -2,-0.5 3,-0.3 -0.926 14.1 179.9-111.9 113.2 90.0 58.2 -10.1 50 67 A L E + N 0 63C 3 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.664 55.2 37.7-107.3 162.9 90.0 58.8 -6.3 51 69 A G S S+ 0 0 4 -36,-0.5 2,-0.2 48,-0.3 10,-0.2 0.780 81.0 150.4 69.1 31.0 92.5 58.2 -3.5 52 70 A E + 0 0 16 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.648 26.3 153.7 -99.7 147.0 95.5 59.3 -5.6 53 71 A H S S+ 0 0 13 1,-0.3 81,-1.6 -2,-0.2 2,-0.7 0.423 85.2 27.7-124.9 -61.9 98.9 61.0 -4.8 54 72 A N B > S-P 133 0D 27 3,-0.2 3,-1.1 79,-0.2 -1,-0.3 -0.919 70.7-161.3-104.3 111.9 101.2 59.9 -7.6 55 73 A I T 3 S+ 0 0 34 77,-2.0 -1,-0.1 -2,-0.7 78,-0.1 0.634 86.3 55.0 -70.5 -11.4 99.0 59.3 -10.7 56 74 A K T 3 S+ 0 0 143 76,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.466 102.7 63.0 -99.5 -0.8 101.7 57.2 -12.5 57 75 A V S < S- 0 0 79 -3,-1.1 2,-0.6 0, 0.0 -4,-0.2 -0.976 79.8-124.0-130.6 135.4 102.2 54.6 -9.7 58 76 A T + 0 0 133 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.684 33.2 171.1 -77.6 116.6 99.8 52.1 -8.1 59 77 A E - 0 0 69 -2,-0.6 -1,-0.2 -5,-0.1 -7,-0.0 0.628 46.5-115.3-102.2 -20.2 99.8 52.9 -4.3 60 78 A G S S+ 0 0 72 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.392 98.2 86.4 97.7 -1.6 97.0 50.7 -3.0 61 79 A S + 0 0 8 -10,-0.2 38,-0.1 38,-0.0 -9,-0.1 0.462 65.1 114.0-106.1 -6.0 94.7 53.5 -1.9 62 80 A E - 0 0 40 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.272 42.3-169.3 -76.2 153.4 93.0 54.1 -5.3 63 81 A Q E -N 50 0C 27 -13,-1.8 -13,-2.9 -2,-0.0 2,-0.5 -0.987 7.5-162.9-137.6 122.6 89.3 53.6 -6.4 64 82 A F E +N 49 0C 99 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.968 17.2 172.7-111.0 118.6 88.5 53.9 -10.2 65 83 A I E -N 48 0C 6 -17,-2.7 -17,-3.0 -2,-0.5 2,-0.1 -0.990 24.5-132.7-134.2 130.4 84.8 54.4 -10.9 66 84 A S E -N 47 0C 38 -2,-0.4 25,-2.5 -19,-0.2 26,-0.3 -0.389 26.9-112.0 -76.1 156.9 82.9 55.1 -14.2 67 85 A S E -O 90 0C 10 -21,-1.8 23,-0.2 23,-0.2 3,-0.1 -0.516 20.9-172.0 -87.0 151.6 80.3 57.9 -14.6 68 86 A S E S+ 0 0 68 21,-2.5 2,-0.3 1,-0.4 22,-0.2 0.525 78.5 18.9-113.8 -17.1 76.6 57.1 -15.2 69 87 A R E -O 89 0C 82 20,-1.1 20,-2.6 2,-0.0 2,-0.5 -0.966 56.8-166.5-155.4 135.3 75.6 60.8 -15.8 70 88 A V E -O 88 0C 23 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.983 14.7-171.3-125.5 114.7 77.5 64.0 -16.8 71 89 A I E -O 87 0C 44 16,-3.3 16,-2.7 -2,-0.5 2,-0.2 -0.887 5.1-164.3-118.4 106.6 75.5 67.2 -16.3 72 90 A R E -O 86 0C 119 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.496 41.1 -90.0 -81.1 147.3 76.8 70.6 -17.6 73 91 A H > - 0 0 18 12,-1.9 3,-1.7 10,-0.3 -1,-0.1 -0.389 35.4-128.4 -58.5 133.2 75.2 73.9 -16.3 74 92 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.714 103.8 48.1 -57.8 -22.3 72.3 74.8 -18.7 75 93 A N T 3 S+ 0 0 107 8,-0.1 7,-0.1 2,-0.0 -2,-0.1 0.123 75.7 144.0-107.6 21.3 73.5 78.3 -19.2 76 94 A Y < - 0 0 60 -3,-1.7 2,-0.4 9,-0.1 7,-0.2 -0.372 26.5-173.3 -61.3 137.3 77.2 77.7 -20.0 77 95 A S B >> -Q 82 0E 47 5,-1.7 5,-1.3 1,-0.1 4,-0.8 -0.991 27.2-155.8-139.2 132.9 78.6 80.1 -22.7 78 96 A S T 45S+ 0 0 99 -2,-0.4 -1,-0.1 3,-0.2 -2,-0.0 0.557 81.5 84.4 -82.0 -8.7 82.0 80.2 -24.5 79 97 A Y T 45S- 0 0 213 1,-0.2 -1,-0.2 3,-0.1 0, 0.0 0.964 124.0 -5.5 -56.8 -52.0 81.9 83.9 -25.2 80 98 A N T 45S- 0 0 31 -3,-0.4 -1,-0.2 2,-0.0 -2,-0.2 0.210 101.6-106.5-126.7 12.7 83.3 84.7 -21.8 81 99 A I T <5 + 0 0 48 -4,-0.8 3,-0.5 1,-0.2 -3,-0.2 0.900 58.2 177.6 59.3 46.5 83.3 81.2 -20.2 82 100 A D B < +Q 77 0E 31 -5,-1.3 -5,-1.7 1,-0.2 -1,-0.2 -0.514 55.5 16.2 -83.1 146.5 80.3 82.0 -18.0 83 101 A N S S- 0 0 26 -7,-0.2 2,-1.8 -2,-0.2 -10,-0.3 0.907 74.6-179.9 57.2 51.7 78.7 79.5 -15.7 84 102 A D + 0 0 3 -3,-0.5 2,-0.3 74,-0.2 122,-0.2 -0.457 34.3 111.6 -85.0 70.5 81.7 77.1 -15.8 85 103 A I - 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