==== 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 11-DEC-98 2STB . 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) . 10655.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 61.8 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 . 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 . 21 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.0 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 3,-0.3 0.000 360.0 360.0 360.0 126.6 9.1 37.0 40.4 2 17 E V B +A 170 0A 15 168,-3.1 168,-2.0 1,-0.2 123,-0.1 -0.870 360.0 8.6-106.0 132.0 6.4 36.3 42.9 3 18 E G S S+ 0 0 44 121,-0.5 -1,-0.2 -2,-0.4 166,-0.1 0.620 102.7 110.5 79.6 12.4 4.2 39.2 44.2 4 19 E G - 0 0 25 -3,-0.3 2,-0.3 166,-0.1 133,-0.2 -0.035 61.6-117.8 -99.9-151.9 5.6 41.8 41.8 5 20 E Y E -B 136 0B 118 131,-2.5 131,-3.1 -3,-0.1 2,-0.3 -0.959 37.0 -81.1-147.0 159.7 4.0 43.6 38.8 6 21 E E E -B 135 0B 93 -2,-0.3 129,-0.3 129,-0.2 128,-0.1 -0.488 55.2-119.6 -66.7 126.9 4.6 43.7 35.0 7 22 E a - 0 0 2 127,-3.0 -1,-0.1 -2,-0.3 3,-0.1 -0.299 27.6 -98.1 -62.1 152.4 7.5 46.2 34.4 8 23 E K > - 0 0 158 1,-0.1 3,-2.2 2,-0.1 4,-0.3 -0.570 63.0 -90.8 -62.3 130.4 6.9 49.2 32.3 9 24 E P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 -0.282 106.6 0.9 -57.2 132.6 8.4 48.0 28.9 10 25 E Y T 3 S+ 0 0 62 42,-0.3 43,-0.1 2,-0.1 -2,-0.1 0.545 91.3 122.6 65.8 14.2 12.1 48.7 28.6 11 26 E S S < S+ 0 0 46 -3,-2.2 -1,-0.1 1,-0.3 3,-0.1 0.669 80.8 44.2 -74.8 -16.1 12.2 50.4 32.1 12 27 E Q S > S+ 0 0 34 -4,-0.3 3,-2.5 1,-0.1 -1,-0.3 -0.512 74.3 166.0-119.2 65.7 15.0 47.8 33.0 13 28 E P T 3 + 0 0 33 0, 0.0 88,-1.0 0, 0.0 38,-0.3 0.567 69.5 62.7 -69.7 -8.4 17.0 48.1 29.7 14 29 E H T 3 S+ 0 0 13 86,-0.2 15,-2.4 88,-0.1 2,-0.2 0.554 79.7 109.6 -82.3 -15.1 20.0 46.2 31.2 15 30 E Q E < -K 28 0C 7 -3,-2.5 36,-0.4 13,-0.2 37,-0.4 -0.452 47.7-177.4 -68.4 129.7 17.9 43.0 31.7 16 31 E V E -K 27 0C 1 11,-2.2 11,-1.2 -2,-0.2 2,-0.4 -0.903 22.4-135.1-124.5 160.2 18.8 40.1 29.4 17 32 E S E -KL 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.933 15.2-145.2-106.9 132.7 17.4 36.6 28.9 18 33 E L E -KL 25 48C 0 7,-3.0 6,-2.3 -2,-0.4 7,-1.0 -0.901 25.5-172.7 -99.1 128.8 19.8 33.7 28.6 19 34 E N E +KL 23 47C 18 28,-2.8 28,-2.3 -2,-0.5 4,-0.2 -0.970 31.3 159.0-131.6 129.3 18.5 31.2 26.2 20 37 E S S S- 0 0 49 2,-1.8 -2,-0.0 -2,-0.4 3,-0.0 -0.629 98.2 -31.9-140.2 70.5 19.6 27.7 25.1 21 38 E G S S+ 0 0 73 -2,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.077 140.8 7.1 104.6 -29.6 16.4 26.3 23.6 22 39 E Y S S- 0 0 75 -4,-0.1 -2,-1.8 0, 0.0 2,-0.3 -0.929 100.0 -71.6-169.1 163.5 14.2 28.3 26.1 23 40 E H E +K 19 0C 18 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.566 54.6 156.2 -63.5 128.7 14.7 31.0 28.7 24 41 E F E + 0 0 1 -6,-2.3 206,-2.3 1,-0.4 150,-0.3 0.603 59.9 7.5-129.5 -19.2 16.5 29.5 31.7 25 42 E b E -K 18 0C 0 -7,-1.0 -7,-3.0 204,-0.2 -1,-0.4 -0.958 62.9-129.7-155.6 162.0 18.3 32.5 33.5 26 43 E G E -K 17 0C 2 150,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.466 22.7-178.9-102.9-176.1 18.5 36.2 33.4 27 44 E G E -K 16 0C 0 -11,-1.2 -11,-2.2 -2,-0.2 2,-0.4 -0.952 22.8-115.8-168.7 178.6 21.6 38.5 33.3 28 45 E S E -KM 15 36C 0 8,-2.3 8,-2.9 -2,-0.3 2,-0.5 -0.995 18.8-130.7-135.6 128.2 22.6 42.2 33.2 29 46 E L E + M 0 35C 0 -15,-2.4 74,-2.2 -2,-0.4 6,-0.2 -0.632 25.0 176.9 -72.5 122.9 24.4 44.1 30.5 30 47 E V E - 0 0 17 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.563 67.8 -16.5-107.8 -11.3 27.2 46.0 32.1 31 48 E N E > S- M 0 34C 38 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.946 89.8 -70.7-168.6-176.2 28.7 47.5 28.8 32 49 E E T 3 S+ 0 0 85 -2,-0.3 62,-2.6 1,-0.2 60,-0.1 0.731 127.9 30.9 -57.6 -26.7 28.5 46.8 25.0 33 50 E N T 3 S+ 0 0 55 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.526 109.8 62.6-111.9 -8.6 30.4 43.5 25.2 34 51 E W E < -MN 31 89C 7 -3,-0.7 -4,-2.4 55,-0.2 -3,-1.2 -0.965 47.4-167.7-136.4 144.0 29.8 41.9 28.6 35 52 E V E -MN 29 88C 0 53,-2.6 53,-2.5 -2,-0.4 2,-0.5 -0.957 15.3-145.2-123.5 137.7 26.9 40.5 30.6 36 53 E V E +MN 28 87C 1 -8,-2.9 -8,-2.3 -2,-0.4 2,-0.2 -0.876 33.9 148.3-101.9 134.8 27.0 39.6 34.3 37 54 E S E - N 0 86C 0 49,-2.4 49,-2.1 -2,-0.5 2,-0.4 -0.794 49.8 -69.1-145.4-168.5 25.0 36.6 35.5 38 55 E A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.728 34.4-130.4 -91.3 141.7 25.1 33.8 38.1 39 56 E A G > S+ 0 0 1 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.832 106.4 62.7 -60.4 -30.3 27.8 31.1 37.9 40 57 E H G 3 S+ 0 0 14 1,-0.3 -1,-0.3 41,-0.1 189,-0.0 0.670 93.1 65.8 -72.4 -9.3 25.2 28.3 38.3 41 58 E b G < S+ 0 0 1 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.349 77.9 140.1 -86.8 4.1 23.7 29.5 35.0 42 59 E Y < + 0 0 83 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.232 16.8 157.5 -52.9 132.4 26.9 28.4 33.2 43 60 E K - 0 0 68 3,-0.0 3,-0.1 0, 0.0 -2,-0.0 -0.926 49.5-117.2-142.7 151.2 26.6 26.7 29.8 44 61 E S S S+ 0 0 96 -2,-0.3 2,-0.3 1,-0.2 26,-0.2 0.769 100.9 16.0 -69.2 -20.3 29.6 26.7 27.4 45 62 E R S S+ 0 0 185 24,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.978 73.9 171.9-146.1 138.2 27.6 28.7 24.8 46 63 E V - 0 0 5 -2,-0.3 21,-2.3 -3,-0.1 2,-0.5 -0.961 31.7-123.5-139.9 156.7 24.4 30.7 25.4 47 64 E E E -LO 19 66C 55 -28,-2.3 -28,-2.8 -2,-0.3 2,-0.5 -0.933 24.6-148.9-101.9 129.2 22.3 33.1 23.3 48 65 E V E -LO 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.6 -0.843 7.7-157.8 -97.0 128.4 21.8 36.4 25.1 49 66 E R E -LO 17 64C 53 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.951 14.6-178.2-117.8 115.4 18.5 38.2 24.2 50 67 E L E + O 0 63C 2 13,-2.8 13,-2.0 -2,-0.6 -34,-0.1 -0.661 57.9 35.3-106.8 159.5 18.5 41.9 24.8 51 69 E G S S+ 0 0 3 -36,-0.4 2,-0.3 48,-0.4 10,-0.2 0.786 82.8 153.5 67.4 28.1 15.7 44.4 24.4 52 70 E E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.616 23.2 152.8 -89.7 140.8 13.1 42.0 25.5 53 71 E H S S+ 0 0 10 1,-0.4 81,-1.7 -2,-0.3 2,-0.7 0.410 83.7 24.5-120.2 -63.5 9.7 42.7 27.2 54 72 E N B > S-Q 133 0D 25 79,-0.2 3,-1.1 3,-0.2 -1,-0.4 -0.926 73.5-160.7 -97.1 116.1 7.5 39.7 26.2 55 73 E I T 3 S+ 0 0 26 77,-2.1 -1,-0.1 -2,-0.7 78,-0.1 0.680 85.4 55.3 -76.5 -12.9 9.9 36.8 25.5 56 74 E K T 3 S+ 0 0 155 76,-0.3 2,-0.4 -3,-0.1 -1,-0.2 0.435 103.0 61.7 -96.7 -0.2 7.4 34.8 23.5 57 75 E V S < S- 0 0 76 -3,-1.1 2,-0.7 75,-0.2 -4,-0.2 -0.981 80.1-125.8-126.9 134.4 6.6 37.6 21.0 58 76 E T + 0 0 129 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.701 33.6 171.2 -82.1 120.4 8.8 39.4 18.4 59 77 E E - 0 0 67 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.600 49.0-110.3-107.2 -16.1 8.3 43.0 19.3 60 78 E G S S+ 0 0 69 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.198 101.0 86.5 103.6 -18.6 11.0 44.7 17.1 61 79 E S + 0 0 7 -10,-0.2 -9,-0.1 38,-0.0 38,-0.1 0.597 65.0 112.2 -88.3 -10.1 13.2 45.8 20.0 62 80 E E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.286 41.5-172.8 -79.9 147.3 15.2 42.6 20.4 63 81 E Q E -O 50 0C 34 -13,-2.0 -13,-2.8 -2,-0.1 2,-0.5 -0.998 9.8-163.2-129.0 124.5 18.9 41.8 19.7 64 82 E F E +O 49 0C 83 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.962 15.9 175.4-109.0 122.9 19.9 38.1 20.0 65 83 E I E -O 48 0C 3 -17,-2.8 -17,-3.2 -2,-0.5 2,-0.1 -0.994 25.2-131.1-135.5 128.3 23.7 37.7 20.3 66 84 E S E -O 47 0C 60 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.454 29.3-112.6 -70.3 149.0 25.7 34.4 20.9 67 85 E S E -P 90 0C 9 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.524 21.4-169.0 -76.3 150.1 28.3 34.3 23.6 68 86 E S E S+ 0 0 64 21,-3.0 2,-0.3 1,-0.4 22,-0.2 0.649 77.8 14.4-104.9 -27.5 32.0 34.0 22.7 69 87 E R E -P 89 0C 68 20,-1.2 20,-2.9 2,-0.0 2,-0.5 -0.991 58.3-165.0-145.2 140.5 33.3 33.3 26.2 70 88 E V E -P 88 0C 20 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.993 16.8-172.7-127.4 117.8 31.4 32.3 29.4 71 89 E I E -P 87 0C 39 16,-3.2 16,-2.6 -2,-0.5 2,-0.2 -0.921 8.6-157.5-123.0 107.2 33.7 32.8 32.5 72 90 E R E -P 86 0C 107 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.508 40.1 -90.9 -77.3 150.8 32.7 31.6 36.0 73 91 E H > - 0 0 17 12,-2.2 3,-2.1 10,-0.3 -1,-0.1 -0.409 38.3-124.7 -56.6 136.2 34.3 33.2 39.0 74 92 E P T 3 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.808 108.6 47.9 -58.7 -29.4 37.4 31.0 39.8 75 93 E N T 3 S+ 0 0 109 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.178 77.9 138.9 -98.6 18.0 36.2 30.4 43.4 76 94 E Y < - 0 0 44 -3,-2.1 2,-0.5 9,-0.1 7,-0.2 -0.395 37.1-158.6 -60.6 140.4 32.6 29.4 42.5 77 95 E S B >> -R 82 0E 32 5,-2.3 5,-1.4 1,-0.1 4,-1.1 -0.923 13.7-166.1-128.5 112.0 31.5 26.5 44.6 78 96 E S T 45S+ 0 0 65 -2,-0.5 163,-0.2 1,-0.2 -1,-0.1 0.695 82.4 66.8 -69.9 -19.9 28.6 24.4 43.5 79 97 E Y T 45S+ 0 0 210 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.945 124.1 10.7 -66.2 -49.2 28.1 22.6 46.8 80 98 E N T 45S- 0 0 58 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.246 102.0-116.5-114.8 9.6 27.0 25.7 48.6 81 99 E I T <5 + 0 0 3 -4,-1.1 3,-0.5 1,-0.2 2,-0.3 0.865 55.7 166.1 57.4 42.8 26.5 28.1 45.6 82 100 E D B < +R 77 0E 29 -5,-1.4 -5,-2.3 1,-0.2 -1,-0.2 -0.671 56.7 15.3 -92.3 148.3 29.2 30.4 46.9 83 101 E N S S- 0 0 27 -2,-0.3 2,-2.0 -7,-0.2 -10,-0.3 0.935 79.4-177.9 55.9 53.4 30.8 33.2 44.7 84 102 E D + 0 0 2 -3,-0.5 2,-0.3 74,-0.2 122,-0.2 -0.420 31.7 114.8 -86.5 68.7 27.9 32.8 42.3 85 103 E I + 0 0 0 -2,-2.0 -12,-2.2 -47,-0.3 2,-0.3 -0.977 35.2 177.9-142.5 147.9 28.9 35.3 39.6 86 104 E M E -NP 37 72C 1 -49,-2.1 -49,-2.4 -2,-0.3 2,-0.4 -0.987 19.4-138.6-148.9 148.3 29.9 34.9 35.9 87 105 E L E -NP 36 71C 0 -16,-2.6 -16,-3.2 -2,-0.3 2,-0.5 -0.914 11.7-163.0-113.9 141.6 30.8 37.0 33.0 88 106 E I E -NP 35 70C 0 -53,-2.5 -53,-2.6 -2,-0.4 2,-0.5 -0.996 8.4-151.3-123.2 123.3 29.6 36.4 29.4 89 107 E K E -NP 34 69C 59 -20,-2.9 -21,-3.0 -2,-0.5 -20,-1.2 -0.846 18.8-130.1 -94.4 132.5 31.4 38.1 26.5 90 108 E L E - 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