==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 10-DEC-98 2STA . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SALMO SALAR; . AUTHOR R.HELLAND,G.I.BERGLUND,J.OTLEWSKI,W.APOSTOLUK,O.A.ANDERSEN, . 251 2 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 5 4 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 1 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 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 E I 0 0 1 0, 0.0 2,-0.4 0, 0.0 170,-0.2 0.000 360.0 360.0 360.0 127.2 9.1 37.2 40.4 2 17 E V B +A 170 0A 12 168,-3.1 168,-2.0 1,-0.2 123,-0.1 -0.909 360.0 10.2-105.8 130.2 6.3 36.5 42.9 3 18 E G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.660 102.6 108.8 84.2 13.1 4.2 39.4 44.2 4 19 E G - 0 0 26 -3,-0.2 2,-0.3 166,-0.1 133,-0.2 -0.059 61.8-116.5-104.5-150.3 5.5 42.0 41.8 5 20 E Y E -B 136 0B 116 131,-2.4 131,-3.1 -3,-0.1 2,-0.2 -0.954 36.7 -82.1-147.3 160.5 3.9 43.7 38.8 6 21 E E E -B 135 0B 91 -2,-0.3 129,-0.3 129,-0.2 128,-0.1 -0.477 53.9-121.0 -70.0 130.3 4.6 43.9 35.0 7 22 E a - 0 0 2 127,-3.0 3,-0.1 -2,-0.2 -1,-0.1 -0.363 27.7 -97.9 -68.0 150.7 7.4 46.4 34.4 8 23 E K > - 0 0 161 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.522 63.5 -88.8 -58.6 130.3 6.8 49.4 32.2 9 24 E P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 -0.278 107.7 0.4 -55.0 131.7 8.3 48.1 28.9 10 25 E Y T 3 S+ 0 0 62 42,-0.3 43,-0.1 2,-0.1 -2,-0.1 0.598 90.5 123.6 63.7 18.3 12.0 48.8 28.6 11 26 E S S < S+ 0 0 45 -3,-2.2 -1,-0.1 1,-0.3 3,-0.1 0.688 81.4 44.8 -76.0 -18.3 12.1 50.5 32.0 12 27 E Q S > S+ 0 0 35 -4,-0.3 3,-2.5 1,-0.1 -1,-0.3 -0.500 74.3 165.3-117.1 64.9 14.8 47.9 32.9 13 28 E P T 3 + 0 0 33 0, 0.0 88,-1.0 0, 0.0 38,-0.3 0.566 69.8 62.1 -68.7 -11.8 16.9 48.2 29.6 14 29 E H T 3 S+ 0 0 13 86,-0.2 15,-2.3 88,-0.1 2,-0.2 0.532 80.1 108.2 -79.5 -16.0 19.9 46.4 31.1 15 30 E Q E < -K 28 0C 7 -3,-2.5 36,-0.5 13,-0.2 37,-0.4 -0.460 48.0-177.9 -69.9 133.4 17.8 43.2 31.6 16 31 E V E -K 27 0C 1 11,-2.2 11,-1.1 -2,-0.2 2,-0.4 -0.920 22.9-133.2-126.0 162.4 18.6 40.3 29.3 17 32 E S E -KL 26 49C 2 32,-2.4 32,-2.8 -2,-0.3 2,-0.5 -0.929 15.8-144.8-106.6 134.5 17.3 36.8 28.8 18 33 E L E -KL 25 48C 1 7,-2.8 6,-2.1 -2,-0.4 7,-1.0 -0.900 25.1-171.2-100.4 129.9 19.7 33.9 28.5 19 34 E N E +KL 23 47C 18 28,-3.0 28,-2.5 -2,-0.5 4,-0.2 -0.969 32.1 160.2-131.3 128.4 18.4 31.3 26.1 20 37 E S S S- 0 0 51 2,-1.8 3,-0.1 -2,-0.4 -2,-0.0 -0.550 97.9 -36.6-135.8 65.6 19.5 27.9 25.2 21 38 E G S S+ 0 0 72 26,-0.0 2,-0.3 0, 0.0 -2,-0.1 0.147 140.4 13.6 103.1 -23.3 16.3 26.5 23.6 22 39 E Y S S- 0 0 70 -4,-0.1 -2,-1.8 0, 0.0 2,-0.3 -0.927 99.7 -77.7-169.5 159.1 14.2 28.3 26.2 23 40 E H E +K 19 0C 16 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.564 53.4 156.0 -63.2 130.9 14.7 31.1 28.7 24 41 E F E + 0 0 1 -6,-2.1 206,-2.4 1,-0.5 150,-0.3 0.577 60.6 7.7-133.6 -13.9 16.4 29.7 31.8 25 42 E b E -K 18 0C 0 -7,-1.0 -7,-2.8 204,-0.2 -1,-0.5 -0.956 62.6-131.2-159.1 162.5 18.2 32.7 33.5 26 43 E G E -K 17 0C 1 150,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.459 21.5-177.4-105.3-172.6 18.5 36.4 33.3 27 44 E G E -K 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.950 22.0-115.3-171.5 175.7 21.6 38.7 33.2 28 45 E S E -KM 15 36C 0 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.994 18.4-129.4-133.7 133.1 22.5 42.4 33.1 29 46 E L E + M 0 35C 0 -15,-2.3 74,-2.5 -2,-0.4 6,-0.2 -0.663 26.2 174.9 -75.3 121.5 24.3 44.3 30.4 30 47 E V E - 0 0 18 4,-2.3 2,-0.3 -2,-0.5 75,-0.2 0.570 67.9 -15.8-109.1 -11.2 27.1 46.3 32.0 31 48 E N E > S- M 0 34C 38 3,-1.2 3,-0.8 70,-0.1 -1,-0.4 -0.942 89.5 -71.1-168.5-177.9 28.6 47.7 28.7 32 49 E E T 3 S+ 0 0 91 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.726 127.0 31.1 -53.7 -28.4 28.4 47.0 24.9 33 50 E N T 3 S+ 0 0 57 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.528 109.4 61.0-112.2 -8.9 30.3 43.7 25.1 34 51 E W E < -MN 31 89C 8 -3,-0.8 -4,-2.3 55,-0.2 -3,-1.2 -0.971 47.9-165.3-137.1 145.2 29.7 42.1 28.5 35 52 E V E -MN 29 88C 0 53,-2.5 53,-2.2 -2,-0.4 2,-0.4 -0.965 15.1-144.8-122.6 135.6 26.8 40.7 30.5 36 53 E V E +MN 28 87C 0 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.2 -0.835 35.0 146.7 -95.8 134.0 26.9 39.8 34.3 37 54 E S E - N 0 86C 0 49,-2.2 49,-2.0 -2,-0.4 2,-0.4 -0.775 50.6 -69.0-145.7-164.6 24.9 36.8 35.4 38 55 E A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.759 33.8-130.0 -96.3 143.3 25.1 34.0 38.0 39 56 E A G > S+ 0 0 1 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.811 106.4 62.7 -60.4 -29.3 27.8 31.3 37.8 40 57 E H G 3 S+ 0 0 14 1,-0.3 -1,-0.3 41,-0.1 151,-0.0 0.689 93.5 65.2 -75.8 -8.2 25.2 28.5 38.3 41 58 E b G < S+ 0 0 1 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.284 78.4 139.9 -87.8 7.4 23.6 29.7 35.0 42 59 E Y < + 0 0 88 -3,-1.7 2,-0.3 2,-0.0 -3,-0.0 -0.292 17.2 158.3 -57.6 132.8 26.9 28.6 33.2 43 60 E K - 0 0 70 3,-0.0 3,-0.1 1,-0.0 -2,-0.0 -0.943 48.2-118.9-142.6 148.7 26.5 27.0 29.8 44 61 E S S S+ 0 0 96 -2,-0.3 2,-0.3 1,-0.2 26,-0.1 0.803 101.4 17.0 -66.8 -24.3 29.5 27.0 27.3 45 62 E R S S+ 0 0 154 24,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.985 74.8 171.0-141.0 135.9 27.5 28.9 24.7 46 63 E V - 0 0 5 -2,-0.3 21,-1.9 -3,-0.1 2,-0.5 -0.962 31.7-125.5-139.1 153.7 24.3 30.8 25.4 47 64 E E E -LO 19 66C 63 -28,-2.5 -28,-3.0 -2,-0.3 2,-0.5 -0.915 23.9-149.8 -99.0 133.9 22.3 33.2 23.3 48 65 E V E -LO 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.6 -0.884 7.8-157.6-103.0 129.7 21.7 36.5 25.1 49 66 E R E -LO 17 64C 53 -32,-2.8 -32,-2.4 -2,-0.5 3,-0.3 -0.952 13.8-176.4-120.0 117.3 18.5 38.3 24.2 50 67 E L E + O 0 63C 3 13,-2.9 13,-1.9 -2,-0.6 -34,-0.1 -0.678 57.7 34.5-108.7 159.6 18.4 42.0 24.7 51 69 E G S S+ 0 0 2 -36,-0.5 2,-0.3 48,-0.3 10,-0.2 0.814 82.4 153.2 66.1 30.7 15.6 44.6 24.3 52 70 E E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.663 23.3 154.4 -89.3 140.2 13.0 42.1 25.5 53 71 E H S S+ 0 0 11 1,-0.4 81,-1.6 -2,-0.3 2,-0.7 0.404 83.3 24.6-119.1 -61.3 9.7 42.8 27.1 54 72 E N B > S-Q 133 0D 25 79,-0.2 3,-1.2 3,-0.2 -1,-0.4 -0.919 73.8-160.6 -99.8 114.8 7.4 39.8 26.2 55 73 E I T 3 S+ 0 0 28 77,-2.2 -1,-0.1 -2,-0.7 78,-0.1 0.732 84.8 55.0 -74.9 -14.6 9.8 37.0 25.5 56 74 E K T 3 S+ 0 0 157 76,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.412 102.8 63.6 -97.7 4.8 7.4 34.9 23.5 57 75 E V S < S- 0 0 75 -3,-1.2 2,-0.7 75,-0.2 -4,-0.2 -0.986 79.8-126.5-126.8 133.9 6.5 37.6 21.0 58 76 E T + 0 0 128 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.671 33.4 170.4 -80.6 121.0 8.7 39.4 18.4 59 77 E E - 0 0 67 -2,-0.7 -1,-0.2 -5,-0.1 -4,-0.0 0.612 48.7-112.3-108.3 -14.2 8.2 43.0 19.2 60 78 E G S S+ 0 0 69 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.333 99.9 87.1 98.4 -10.9 10.9 44.6 17.0 61 79 E S + 0 0 7 -10,-0.2 38,-0.1 38,-0.0 -9,-0.1 0.536 65.5 111.8 -96.6 -4.8 13.1 45.9 19.9 62 80 E E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.314 43.5-170.1 -83.3 152.0 15.1 42.7 20.3 63 81 E Q E -O 50 0C 29 -13,-1.9 -13,-2.9 -2,-0.1 2,-0.5 -0.991 9.5-161.8-132.8 122.8 18.8 41.9 19.6 64 82 E F E +O 49 0C 85 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.966 17.5 175.3-107.5 120.1 19.8 38.2 19.8 65 83 E I E -O 48 0C 3 -17,-2.8 -17,-3.2 -2,-0.5 2,-0.1 -0.993 24.6-133.4-135.4 128.9 23.6 37.8 20.3 66 84 E S E -O 47 0C 39 -2,-0.4 25,-3.1 -19,-0.2 26,-0.4 -0.440 28.3-112.9 -73.8 148.9 25.6 34.6 20.8 67 85 E S E -P 90 0C 1 -21,-1.9 23,-0.3 23,-0.3 3,-0.1 -0.597 20.8-169.1 -76.9 145.6 28.3 34.5 23.5 68 86 E S E S+ 0 0 69 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.687 78.9 15.3 -99.3 -30.1 31.9 34.2 22.5 69 87 E R E -P 89 0C 71 20,-1.2 20,-2.8 2,-0.0 2,-0.4 -0.999 58.7-165.5-139.6 142.2 33.2 33.6 26.1 70 88 E V E -P 88 0C 21 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.973 16.6-173.0-128.7 118.6 31.5 32.5 29.4 71 89 E I E -P 87 0C 37 16,-2.9 16,-2.5 -2,-0.4 2,-0.1 -0.911 9.1-157.4-124.4 107.0 33.6 33.0 32.4 72 90 E R E -P 86 0C 110 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.451 40.4 -90.8 -75.1 151.7 32.7 31.8 35.9 73 91 E H > - 0 0 19 12,-2.0 3,-2.2 10,-0.3 -1,-0.1 -0.434 38.1-125.3 -58.1 136.6 34.3 33.4 39.0 74 92 E P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.835 108.9 48.9 -61.7 -28.5 37.4 31.3 39.7 75 93 E N T 3 S+ 0 0 105 2,-0.1 2,-0.1 8,-0.0 -2,-0.1 0.150 77.3 138.7 -97.7 18.1 36.2 30.7 43.2 76 94 E Y < - 0 0 42 -3,-2.2 2,-0.5 9,-0.1 7,-0.2 -0.419 37.3-158.0 -60.7 137.3 32.6 29.7 42.5 77 95 E S B >> -R 82 0E 41 5,-2.5 5,-1.5 1,-0.1 4,-1.2 -0.913 12.9-168.6-123.0 109.8 31.5 26.8 44.6 78 96 E S T 45S+ 0 0 82 -2,-0.5 163,-0.2 1,-0.2 -1,-0.1 0.753 82.6 67.5 -66.3 -26.5 28.6 24.7 43.4 79 97 E Y T 45S+ 0 0 203 1,-0.2 -1,-0.2 161,-0.1 -2,-0.0 0.939 124.5 9.0 -58.9 -47.0 28.2 22.9 46.7 80 98 E N T 45S- 0 0 49 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.256 101.9-114.9-123.7 11.9 27.0 26.0 48.5 81 99 E I T <5 + 0 0 2 -4,-1.2 3,-0.5 1,-0.2 2,-0.3 0.856 56.2 165.5 56.2 43.9 26.5 28.4 45.6 82 100 E D B < +R 77 0E 28 -5,-1.5 -5,-2.5 1,-0.2 -1,-0.2 -0.669 57.5 14.8 -91.9 148.7 29.2 30.7 46.8 83 101 E N S S- 0 0 30 -2,-0.3 2,-1.9 -7,-0.2 -10,-0.3 0.937 79.5-178.3 54.7 52.4 30.8 33.5 44.6 84 102 E D + 0 0 2 -3,-0.5 2,-0.3 74,-0.2 122,-0.2 -0.439 32.3 112.9 -84.8 69.2 27.9 33.0 42.3 85 103 E I + 0 0 0 -2,-1.9 -12,-2.0 -47,-0.3 2,-0.3 -0.981 36.5 178.3-143.3 149.4 28.8 35.5 39.5 86 104 E M E -NP 37 72C 1 -49,-2.0 -49,-2.2 -2,-0.3 2,-0.4 -0.982 19.8-136.5-151.3 151.5 29.9 35.1 35.9 87 105 E L E -NP 36 71C 0 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.4 -0.899 12.6-163.2-114.0 142.8 30.8 37.2 32.9 88 106 E I E -NP 35 70C 0 -53,-2.2 -53,-2.5 -2,-0.4 2,-0.5 -0.997 8.0-151.7-127.0 125.0 29.5 36.6 29.4 89 107 E K E -NP 34 69C 44 -20,-2.8 -21,-2.8 -2,-0.4 -20,-1.2 -0.843 18.5-130.7 -97.9 133.0 31.3 38.2 26.4 90 108 E L E - 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