==== 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 1UTJ . 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) . 9654.0 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 . 69 31.1 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 . 18 8.1 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 . 14 6.3 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 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 . 4 3 1 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 127.5 25.8 21.2 65.3 2 17 A V B +A 170 0A 17 168,-3.2 168,-1.8 1,-0.2 123,-0.1 -0.906 360.0 2.3-107.8 127.8 29.5 21.4 64.4 3 18 A G S S+ 0 0 47 -2,-0.5 -1,-0.2 121,-0.4 2,-0.1 0.689 100.8 116.6 76.6 19.3 31.4 24.7 64.8 4 19 A G - 0 0 30 -3,-0.2 2,-0.3 166,-0.1 133,-0.2 -0.096 60.8-112.2 -99.7-156.8 28.5 26.7 66.2 5 20 A Y E -B 136 0B 115 131,-2.3 131,-3.3 -3,-0.1 2,-0.2 -0.922 40.3 -84.5-136.4 159.0 28.0 28.4 69.5 6 21 A E E -B 135 0B 81 -2,-0.3 129,-0.3 129,-0.2 128,-0.1 -0.480 48.8-119.8 -69.6 129.6 25.6 27.6 72.4 7 22 A a - 0 0 1 127,-2.4 3,-0.1 -2,-0.2 -1,-0.1 -0.394 30.7-103.5 -64.2 147.8 22.2 29.2 71.7 8 23 A K > - 0 0 159 1,-0.1 3,-2.2 -2,-0.1 4,-0.3 -0.551 58.3 -84.0 -68.6 139.4 21.1 31.7 74.3 9 24 A P T 3 S- 0 0 72 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 -0.248 109.9 -1.5 -52.0 125.0 18.5 29.9 76.4 10 25 A Y T 3 S+ 0 0 61 42,-0.3 43,-0.1 2,-0.1 -2,-0.1 0.639 91.2 124.9 69.7 16.7 15.0 30.0 74.8 11 26 A S S < S+ 0 0 56 -3,-2.2 -1,-0.1 1,-0.3 3,-0.1 0.621 78.1 44.6 -79.5 -12.1 16.2 32.1 71.9 12 27 A Q S > S+ 0 0 34 -4,-0.3 3,-2.1 1,-0.1 -1,-0.3 -0.565 73.0 168.0-127.4 67.2 14.9 29.4 69.5 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.556 70.6 61.1 -61.3 -11.6 11.4 28.8 71.2 14 29 A H T 3 S+ 0 0 12 86,-0.2 15,-2.6 88,-0.1 2,-0.2 0.577 79.9 110.0 -88.9 -14.1 10.0 26.8 68.3 15 30 A Q E < -J 28 0C 5 -3,-2.1 37,-0.4 13,-0.2 36,-0.4 -0.452 47.8-176.4 -66.9 127.0 12.8 24.2 68.7 16 31 A V E -J 27 0C 1 11,-2.3 11,-0.9 -2,-0.2 2,-0.5 -0.860 21.6-136.1-124.1 157.4 11.5 20.8 70.0 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.6 -0.960 14.3-144.0-110.1 129.6 13.2 17.6 71.0 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.5 -2,-0.5 7,-1.1 -0.878 25.7-166.6 -93.8 125.1 11.6 14.3 69.8 19 34 A N E +JK 23 47C 16 28,-2.8 28,-2.1 -2,-0.6 4,-0.2 -0.934 32.1 164.6-122.7 134.9 12.2 11.8 72.5 20 37 A S S S- 0 0 66 2,-2.1 2,-1.3 -2,-0.4 -2,-0.0 -0.658 96.1 -47.0-142.7 69.5 11.8 8.0 72.6 21 38 A G S S+ 0 0 59 -2,-0.1 2,-0.3 26,-0.0 -2,-0.1 -0.418 141.1 28.0 93.4 -56.1 13.7 7.2 75.7 22 39 A Y S S- 0 0 193 -2,-1.3 -2,-2.1 -4,-0.0 2,-0.1 -0.846 103.9 -84.3-129.8 160.8 16.4 9.5 74.5 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.479 51.4 162.7 -61.9 135.4 16.5 12.5 72.2 24 41 A F E + 0 0 49 -6,-2.5 2,-0.3 1,-0.5 150,-0.3 0.521 57.6 6.2-131.9 -16.9 16.7 11.2 68.6 25 42 A b E -J 18 0C 8 -7,-1.1 -7,-3.2 150,-0.1 -1,-0.5 -0.979 62.9-124.5-162.2 159.5 15.6 14.1 66.3 26 43 A G E +J 17 0C 1 150,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.344 27.7 174.9 -96.7-176.5 14.7 17.7 66.4 27 44 A G E -J 16 0C 0 -11,-0.9 -11,-2.3 10,-0.1 2,-0.4 -0.948 24.5-114.3-174.4 176.7 11.5 19.4 65.1 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.5 -0.994 17.2-130.8-135.3 131.9 9.8 22.8 65.0 29 46 A L E + L 0 35C 0 -15,-2.6 74,-2.5 -2,-0.4 6,-0.2 -0.668 26.8 173.0 -78.2 124.0 6.5 24.0 66.5 30 47 A V - 0 0 18 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.601 67.9 -13.0-106.5 -17.4 4.4 25.6 63.8 31 48 A N S S- 0 0 36 3,-1.2 3,-0.4 70,-0.1 -1,-0.4 -0.929 88.4 -76.0-165.4 179.4 1.3 26.2 65.9 32 49 A E S S+ 0 0 94 -2,-0.3 62,-2.8 1,-0.2 60,-0.1 0.725 128.4 30.5 -64.8 -18.0 -0.1 25.0 69.3 33 50 A N S S+ 0 0 50 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.539 110.8 69.7-115.3 -9.2 -1.1 21.5 68.0 34 51 A W E - M 0 89C 8 -3,-0.4 -4,-2.5 55,-0.2 -3,-1.2 -0.932 46.0-174.7-127.3 143.2 1.5 20.8 65.3 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.5 -2,-0.4 2,-0.4 -0.963 15.7-147.2-125.6 137.6 5.2 20.1 64.9 36 53 A V E +LM 28 87C 1 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.886 32.0 148.4-104.6 135.9 7.2 19.7 61.6 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.6 -2,-0.4 2,-0.4 -0.784 49.6 -67.4-147.7-171.2 10.1 17.3 61.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.759 32.5-135.6 -90.8 136.9 11.9 15.0 59.0 39 56 A A G > S+ 0 0 1 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.810 103.9 65.0 -60.1 -30.0 10.1 12.0 57.6 40 57 A H G 3 S+ 0 0 72 1,-0.3 -1,-0.3 41,-0.1 151,-0.0 0.690 94.7 61.4 -68.2 -13.4 13.2 9.8 58.2 41 58 A b G < S+ 0 0 6 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.431 81.7 145.8 -87.7 -1.6 12.7 10.4 61.9 42 59 A Y < + 0 0 81 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.1 -0.024 15.9 159.2 -44.4 138.9 9.3 8.7 61.8 43 60 A K - 0 0 77 3,-0.0 3,-0.1 1,-0.0 -2,-0.0 -0.939 47.2-120.8-154.2 144.8 7.9 6.7 64.7 44 61 A S S S+ 0 0 96 -2,-0.3 2,-0.3 1,-0.2 26,-0.1 0.759 100.6 18.3 -64.3 -24.7 4.2 5.9 65.2 45 62 A R S S+ 0 0 148 24,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.990 72.2 169.2-148.1 137.1 4.3 7.6 68.6 46 63 A V - 0 0 8 -2,-0.3 21,-2.3 -3,-0.1 2,-0.5 -0.954 32.8-121.8-145.0 158.9 6.8 10.1 70.0 47 64 A E E -KN 19 66C 62 -28,-2.1 -28,-2.8 -2,-0.3 2,-0.5 -0.942 25.8-148.7-104.4 123.2 7.1 12.4 73.0 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.9 -2,-0.5 2,-0.6 -0.846 8.1-159.2 -94.2 125.3 7.6 16.0 72.0 49 66 A R E -KN 17 64C 52 -32,-2.8 -32,-2.2 -2,-0.5 3,-0.3 -0.942 14.5-179.9-110.3 115.3 9.7 18.0 74.5 50 67 A L E + N 0 63C 1 13,-2.8 13,-1.8 -2,-0.6 -34,-0.1 -0.719 57.1 36.9-110.3 162.1 9.2 21.8 74.3 51 69 A G S S+ 0 0 4 48,-0.4 2,-0.3 -36,-0.4 10,-0.3 0.812 83.2 150.1 68.4 31.9 10.8 24.6 76.3 52 70 A E + 0 0 13 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.668 24.8 152.7 -99.3 147.9 14.1 22.9 76.5 53 71 A H S S+ 0 0 6 1,-0.4 81,-1.7 -2,-0.3 2,-0.7 0.409 84.0 29.2-126.8 -62.5 17.7 24.2 76.6 54 72 A N B > S-P 133 0D 22 3,-0.2 3,-1.0 79,-0.2 -1,-0.4 -0.924 72.6-160.4-100.4 111.9 19.6 21.5 78.4 55 73 A I T 3 S+ 0 0 32 77,-2.3 -1,-0.1 -2,-0.7 78,-0.1 0.558 87.3 51.8 -72.8 -6.2 17.9 18.2 77.6 56 74 A K T 3 S+ 0 0 171 76,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.473 104.5 61.7-106.8 -4.0 19.4 16.4 80.5 57 75 A V S < S- 0 0 79 -3,-1.0 2,-0.6 75,-0.2 -4,-0.3 -0.972 81.7-121.0-127.4 136.8 18.4 18.9 83.3 58 76 A T + 0 0 124 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.647 30.7 173.0 -77.3 121.8 15.0 20.0 84.4 59 77 A E - 0 0 64 -2,-0.6 -1,-0.2 -8,-0.1 -7,-0.0 0.478 47.2-117.4-106.4 -7.2 14.7 23.8 84.0 60 78 A G S S+ 0 0 68 1,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.346 98.8 88.1 85.6 -5.8 11.1 24.2 84.8 61 79 A S + 0 0 7 -10,-0.3 -9,-0.1 38,-0.0 38,-0.1 0.496 62.2 112.2 -99.9 -7.0 10.2 25.5 81.4 62 80 A E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.342 43.9-168.7 -75.1 148.0 9.6 22.1 79.7 63 81 A Q E -N 50 0C 35 -13,-1.8 -13,-2.8 -2,-0.1 2,-0.6 -0.992 8.9-160.6-132.1 118.9 6.3 20.8 78.4 64 82 A F E +N 49 0C 95 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.930 17.5 173.5-104.6 117.3 6.4 17.0 77.5 65 83 A I E -N 48 0C 13 -17,-2.9 -17,-3.2 -2,-0.6 2,-0.1 -0.982 24.8-134.6-129.6 131.4 3.5 16.1 75.2 66 84 A S E -N 47 0C 39 -2,-0.4 25,-2.5 -19,-0.2 26,-0.3 -0.473 31.0-105.9 -80.7 154.1 2.8 12.8 73.5 67 85 A S E -O 90 0C 0 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.417 21.2-167.6 -78.4 152.7 1.8 12.7 69.8 68 86 A S E S+ 0 0 54 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.671 79.1 8.3-105.1 -34.7 -1.7 12.0 68.6 69 87 A R E -O 89 0C 120 20,-1.1 20,-2.9 2,-0.0 2,-0.5 -0.989 57.9-161.1-148.8 140.8 -0.8 11.5 64.9 70 88 A V E -O 88 0C 19 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.987 17.1-172.8-126.2 116.1 2.5 11.2 63.0 71 89 A I E -O 87 0C 28 16,-3.6 16,-2.7 -2,-0.5 2,-0.2 -0.924 8.8-159.0-121.6 110.0 2.1 11.9 59.3 72 90 A R E -O 86 0C 112 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.496 42.0 -89.7 -77.7 152.0 4.9 11.4 56.8 73 91 A H > - 0 0 22 12,-2.0 3,-2.3 10,-0.3 -1,-0.1 -0.409 39.0-120.9 -61.3 136.1 4.7 13.2 53.4 74 92 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.778 110.8 45.7 -51.9 -28.3 2.9 10.8 51.1 75 93 A N T 3 S+ 0 0 108 8,-0.1 7,-0.1 2,-0.1 -2,-0.1 0.155 76.5 139.5-104.7 20.5 5.8 10.8 48.7 76 94 A Y < - 0 0 55 -3,-2.3 2,-0.5 9,-0.1 7,-0.2 -0.406 36.7-159.0 -61.1 137.9 8.6 10.3 51.2 77 95 A S B >> -Q 82 0E 29 5,-1.9 4,-1.4 1,-0.1 5,-1.0 -0.974 19.2-165.6-127.2 120.1 11.2 7.9 49.8 78 96 A S T 45S+ 0 0 83 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.660 86.7 68.5 -75.7 -15.7 13.6 6.0 52.0 79 97 A Y T 45S+ 0 0 220 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.873 124.4 6.7 -70.1 -38.4 15.7 5.1 48.9 80 98 A N T 45S- 0 0 74 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.310 97.6-115.6-128.7 9.6 16.9 8.6 48.3 81 99 A I T ><5 + 0 0 51 -4,-1.4 3,-0.5 1,-0.2 2,-0.2 0.843 57.9 164.4 57.4 37.8 15.5 10.5 51.4 82 100 A D B 3 < +Q 77 0E 25 -5,-1.0 -5,-1.9 1,-0.2 -1,-0.2 -0.582 57.3 16.2 -88.0 151.1 13.3 12.6 49.1 83 101 A N T 3 S- 0 0 22 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.921 79.0-177.1 52.7 51.6 10.3 14.7 50.4 84 102 A D < + 0 0 2 -3,-0.5 2,-0.3 74,-0.2 122,-0.2 -0.426 34.8 113.4 -82.0 67.9 11.8 14.3 53.9 85 103 A I + 0 0 0 -2,-2.1 -12,-2.0 -47,-0.3 2,-0.3 -0.994 36.8 177.1-142.5 144.3 9.1 16.1 55.8 86 104 A M E -MO 37 72C 1 -49,-2.6 -49,-2.6 -2,-0.3 2,-0.4 -0.975 19.1-138.7-148.0 151.2 6.6 15.0 58.4 87 105 A L E -MO 36 71C 0 -16,-2.7 -16,-3.6 -2,-0.3 2,-0.5 -0.933 11.0-163.5-113.6 141.2 3.9 16.4 60.6 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.2 -2,-0.4 2,-0.4 -0.988 9.0-150.6-125.5 119.3 3.2 15.4 64.2 89 107 A K E -MO 34 69C 55 -20,-2.9 -21,-3.3 -2,-0.5 -20,-1.1 -0.768 19.0-129.7 -90.2 134.5 -0.1 16.4 65.9 90 108 A L E - 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