==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 05-NOV-98 1BZX . COMPND 2 MOLECULE: PROTEIN (TRYPSIN); . SOURCE 2 ORGANISM_SCIENTIFIC: SALMO SALAR; . AUTHOR R.HELLAND,I.LEIROS,G.I.BERGLUND,N.P.WILLASSEN,A.O.SMALAS . 280 2 9 9 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 30.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 26 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 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 . 7 2 2 5 2 1 1 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 0.000 360.0 360.0 360.0 119.4 -1.3 89.7 188.6 2 17 E V B +A 170 0A 15 168,-3.1 168,-1.6 1,-0.2 123,-0.1 -0.854 360.0 3.6-100.8 134.6 -0.3 93.2 187.3 3 18 E G S S+ 0 0 45 121,-0.6 -1,-0.2 -2,-0.4 166,-0.1 0.620 103.3 113.8 70.8 14.6 1.6 95.6 189.5 4 19 E G - 0 0 26 -3,-0.3 2,-0.3 166,-0.2 133,-0.2 -0.027 60.7-114.8 -97.1-155.1 2.0 93.2 192.4 5 20 E Y E -B 136 0B 108 131,-3.3 131,-4.1 -3,-0.1 2,-0.2 -0.964 34.7 -85.4-144.1 156.3 5.0 91.5 193.9 6 21 E E E -B 135 0B 91 -2,-0.3 129,-0.3 129,-0.3 128,-0.1 -0.464 49.8-122.5 -65.6 127.8 6.3 87.9 194.2 7 22 E a - 0 0 2 127,-2.3 3,-0.1 -2,-0.2 -1,-0.1 -0.333 28.5 -99.6 -67.3 153.6 4.8 86.3 197.2 8 23 E K > - 0 0 168 1,-0.1 3,-2.7 2,-0.1 4,-0.3 -0.602 62.6 -86.4 -71.0 127.8 7.1 84.9 199.9 9 24 E P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 -0.067 110.1 2.5 -41.1 130.9 7.1 81.2 199.0 10 25 E Y T 3 S+ 0 0 56 42,-0.3 43,-0.1 2,-0.1 -2,-0.1 0.497 89.0 125.2 66.8 10.3 4.2 79.4 200.6 11 26 E S S < S+ 0 0 51 -3,-2.7 -1,-0.1 1,-0.3 3,-0.1 0.673 77.0 47.4 -71.3 -15.5 2.7 82.5 202.2 12 27 E Q S > S+ 0 0 33 -4,-0.3 3,-2.6 1,-0.1 -1,-0.3 -0.530 71.1 169.0-124.4 66.2 -0.6 81.8 200.5 13 28 E P T 3 S+ 0 0 36 0, 0.0 88,-0.9 0, 0.0 38,-0.3 0.595 73.0 59.1 -53.4 -22.1 -0.9 78.0 201.4 14 29 E H T 3 S+ 0 0 13 86,-0.2 15,-2.3 88,-0.1 2,-0.2 0.632 79.7 112.0 -84.4 -16.7 -4.5 77.9 200.3 15 30 E Q E < -K 28 0C 7 -3,-2.6 37,-0.4 13,-0.2 36,-0.3 -0.421 46.0-179.2 -63.1 122.1 -3.6 78.9 196.7 16 31 E V E -K 27 0C 1 11,-2.3 11,-1.1 -2,-0.2 2,-0.4 -0.757 22.2-135.0-120.3 164.7 -4.0 76.2 194.2 17 32 E S E -KL 26 49C 2 32,-1.5 32,-2.3 -2,-0.3 2,-0.6 -0.992 13.6-142.2-119.8 125.1 -3.4 75.8 190.4 18 33 E L E -KL 25 48C 0 7,-2.8 6,-2.2 -2,-0.4 7,-1.0 -0.830 26.8-171.3 -89.4 121.1 -6.1 74.3 188.2 19 34 E N E +KL 23 47C 17 28,-3.0 28,-2.3 -2,-0.6 4,-0.2 -0.922 30.3 156.0-118.9 140.3 -4.3 72.2 185.5 20 37 E S S S- 0 0 54 2,-1.7 3,-0.1 -2,-0.4 -1,-0.1 -0.174 97.8 -34.7-151.4 45.4 -5.6 70.5 182.4 21 38 E G S S+ 0 0 70 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.045 139.6 5.8 120.9 -24.2 -2.5 70.3 180.3 22 39 E Y S S- 0 0 75 -4,-0.1 -2,-1.7 0, 0.0 2,-0.4 -0.931 101.8 -66.3-173.1 167.7 -1.3 73.7 181.6 23 40 E H E +K 19 0C 17 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.567 55.5 155.0 -70.7 122.4 -2.3 76.2 184.3 24 41 E F E + 0 0 0 -6,-2.2 216,-2.2 -2,-0.4 2,-0.3 0.596 60.3 6.3-123.6 -22.7 -5.6 77.8 183.3 25 42 E b E -K 18 0C 0 -7,-1.0 -7,-2.8 214,-0.2 -1,-0.4 -0.944 61.9-126.2-154.0 169.4 -7.1 79.0 186.5 26 43 E G E -K 17 0C 1 150,-3.4 12,-0.4 -2,-0.3 2,-0.3 -0.540 24.9-178.8-109.5-177.4 -6.5 79.4 190.2 27 44 E G E -K 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.966 23.2-116.0-170.9 170.7 -8.5 78.2 193.2 28 45 E S E -KM 15 36C 0 8,-2.6 8,-3.1 -2,-0.3 2,-0.7 -0.994 17.5-135.5-128.4 128.0 -8.6 78.2 197.0 29 46 E L E + M 0 35C 0 -15,-2.3 74,-1.7 -2,-0.4 6,-0.2 -0.718 26.0 173.5 -78.6 114.0 -8.4 75.1 199.3 30 47 E V E - 0 0 17 4,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.651 68.1 -9.1 -95.9 -18.5 -11.1 75.7 201.9 31 48 E N E > S- M 0 34C 46 3,-1.4 3,-1.6 71,-0.1 -1,-0.4 -0.958 86.9 -80.6-168.8 161.7 -10.6 72.2 203.5 32 49 E E T 3 S+ 0 0 99 -2,-0.3 62,-3.1 1,-0.3 60,-0.1 0.658 128.8 32.7 -44.2 -21.2 -8.7 69.0 202.9 33 50 E N T 3 S+ 0 0 46 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.524 111.3 61.0-117.7 -7.0 -11.4 67.9 200.5 34 51 E W E < -MN 31 89C 9 -3,-1.6 -4,-2.2 55,-0.2 -3,-1.4 -0.970 47.7-169.9-133.2 146.6 -12.7 71.0 198.7 35 52 E V E -MN 29 88C 0 53,-2.1 53,-2.5 -2,-0.4 2,-0.4 -0.957 14.9-145.6-128.5 138.0 -11.5 73.8 196.5 36 53 E V E +MN 28 87C 0 -8,-3.1 -8,-2.6 -2,-0.4 2,-0.2 -0.902 32.9 146.9-103.5 134.5 -13.4 77.0 195.6 37 54 E S E - N 0 86C 0 49,-2.4 49,-1.8 -2,-0.4 2,-0.3 -0.731 49.7 -68.2-144.2-165.8 -12.9 78.5 192.1 38 55 E A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.2 47,-0.3 -0.752 33.4-129.0 -95.7 145.2 -14.8 80.5 189.5 39 56 E A G > S+ 0 0 2 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.753 107.9 63.3 -63.1 -26.7 -17.7 78.9 187.5 40 57 E H G 3 S+ 0 0 12 1,-0.3 -1,-0.3 44,-0.1 199,-0.1 0.512 94.0 63.3 -76.6 -3.1 -16.1 80.0 184.2 41 58 E b G < S+ 0 0 2 -3,-1.9 -1,-0.3 198,-0.1 -2,-0.2 0.153 80.2 142.8-100.7 11.6 -13.1 77.8 185.0 42 59 E Y < + 0 0 82 -3,-1.2 2,-0.3 -5,-0.0 -3,-0.1 -0.298 17.5 158.8 -61.8 142.3 -15.3 74.8 184.8 43 60 E K - 0 0 57 -2,-0.0 3,-0.1 1,-0.0 -2,-0.0 -0.940 46.5-122.3-157.2 138.1 -14.1 71.5 183.4 44 61 E S S S+ 0 0 92 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.800 102.2 18.4 -55.8 -32.0 -15.7 68.0 184.1 45 62 E R S S+ 0 0 202 24,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.994 74.9 166.8-142.9 130.6 -12.3 66.7 185.4 46 63 E V - 0 0 7 -2,-0.4 21,-1.8 -3,-0.1 2,-0.5 -0.962 32.1-125.1-140.6 157.1 -9.3 68.9 186.5 47 64 E E E -LO 19 66C 57 -28,-2.3 -28,-3.0 -2,-0.3 2,-0.4 -0.936 23.0-149.1-106.3 130.0 -6.1 68.3 188.3 48 65 E V E -LO 18 65C 0 17,-3.3 17,-2.6 -2,-0.5 2,-0.6 -0.850 6.8-157.4 -98.6 130.4 -5.5 70.5 191.4 49 66 E R E -LO 17 64C 43 -32,-2.3 -32,-1.5 -2,-0.4 3,-0.3 -0.940 14.7-179.4-115.6 116.8 -1.9 71.4 192.2 50 67 E L E + O 0 63C 2 13,-2.6 13,-1.7 -2,-0.6 50,-0.1 -0.585 57.5 37.8-108.0 167.2 -1.2 72.4 195.8 51 69 E G S S+ 0 0 3 48,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.749 83.6 148.9 64.2 29.0 2.0 73.4 197.6 52 70 E E + 0 0 12 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.545 25.4 153.9 -96.8 152.5 3.2 75.4 194.5 53 71 E H S S+ 0 0 7 4,-0.2 81,-1.7 -2,-0.2 2,-0.9 0.315 83.9 27.8-132.7 -64.8 5.3 78.5 194.2 54 72 E N B > S-Q 133 0D 21 3,-0.2 3,-1.9 79,-0.2 79,-0.2 -0.858 72.0-160.9-101.5 104.6 6.9 78.2 190.8 55 73 E I T 3 S+ 0 0 22 77,-1.8 -1,-0.1 -2,-0.9 78,-0.1 0.661 85.9 55.5 -61.2 -14.2 4.5 76.2 188.7 56 74 E K T 3 S+ 0 0 137 76,-0.3 2,-0.4 1,-0.1 -1,-0.3 0.354 101.7 61.9-101.4 10.6 7.2 75.3 186.1 57 75 E V S < S- 0 0 78 -3,-1.9 2,-0.5 75,-0.2 -4,-0.2 -0.998 82.7-120.5-140.7 130.1 9.7 73.9 188.5 58 76 E T + 0 0 131 -2,-0.4 -3,-0.1 1,-0.1 -2,-0.0 -0.588 33.4 172.6 -71.5 117.6 9.4 70.8 190.8 59 77 E E - 0 0 69 -2,-0.5 -1,-0.1 -8,-0.1 -4,-0.0 0.558 43.6-120.4-106.0 -10.4 10.0 72.0 194.3 60 78 E G S S+ 0 0 65 1,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.054 97.6 87.6 91.0 -23.7 9.2 68.9 196.4 61 79 E S + 0 0 6 -10,-0.2 -9,-0.1 38,-0.0 38,-0.1 0.653 67.9 105.0 -81.8 -14.9 6.4 70.7 198.2 62 80 E E - 0 0 36 -11,-0.0 2,-0.4 -13,-0.0 -11,-0.2 -0.210 47.2-164.0 -82.5 157.6 3.6 70.0 195.7 63 81 E Q E -O 50 0C 40 -13,-1.7 -13,-2.6 2,-0.1 2,-0.8 -0.979 6.8-158.9-134.8 119.0 0.6 67.7 195.6 64 82 E F E +O 49 0C 97 -2,-0.4 2,-0.5 -15,-0.2 -15,-0.2 -0.866 20.9 174.4-101.1 105.5 -1.3 66.9 192.3 65 83 E I E -O 48 0C 16 -17,-2.6 -17,-3.3 -2,-0.8 2,-0.1 -0.936 23.7-136.2-115.2 132.1 -4.8 65.7 193.2 66 84 E S E -O 47 0C 60 -2,-0.5 25,-3.0 -19,-0.2 26,-0.4 -0.397 24.7-113.9 -80.0 158.9 -7.4 64.9 190.6 67 85 E S E -P 90 0C 11 -21,-1.8 23,-0.2 23,-0.3 3,-0.1 -0.599 21.7-171.5 -88.8 156.1 -10.9 66.1 191.2 68 86 E S E S+ 0 0 67 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.584 77.5 21.4-115.1 -26.4 -13.7 63.7 191.7 69 87 E R E -P 89 0C 93 20,-1.2 20,-2.8 2,-0.0 -1,-0.4 -0.993 55.8-170.0-143.6 144.5 -16.5 66.3 191.5 70 88 E V E -P 88 0C 21 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.931 14.2-174.1-137.5 104.9 -16.8 69.8 190.0 71 89 E I E -P 87 0C 36 16,-3.1 16,-3.0 -2,-0.4 2,-0.2 -0.916 8.4-156.8-109.1 116.7 -20.0 71.6 191.0 72 90 E R E -P 86 0C 108 -2,-0.6 14,-0.3 14,-0.3 12,-0.1 -0.556 39.8 -90.5 -83.9 151.0 -20.9 75.0 189.5 73 91 E H > - 0 0 22 12,-2.5 3,-1.6 10,-0.3 -1,-0.1 -0.413 38.6-128.2 -59.3 136.9 -23.2 77.3 191.3 74 92 E P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.789 104.7 48.2 -60.6 -28.3 -26.7 76.4 190.0 75 93 E N T 3 S+ 0 0 112 8,-0.1 7,-0.1 2,-0.1 9,-0.1 0.270 78.7 137.8 -99.6 15.6 -27.6 80.0 189.2 76 94 E Y < - 0 0 43 -3,-1.6 2,-0.4 7,-0.2 7,-0.2 -0.283 33.9-165.3 -60.3 142.5 -24.4 80.8 187.3 77 95 E S B >> -R 82 0E 38 5,-2.1 5,-1.8 1,-0.1 4,-1.0 -0.973 10.2-161.0-134.1 114.0 -24.9 82.8 184.1 78 96 E S T 45S+ 0 0 67 -2,-0.4 -1,-0.1 3,-0.2 184,-0.0 0.842 89.8 51.9 -65.7 -37.7 -22.0 83.1 181.7 79 97 E Y T 45S+ 0 0 155 1,-0.2 -1,-0.2 182,-0.1 182,-0.0 0.908 121.0 33.1 -67.1 -42.0 -23.3 86.1 179.8 80 98 E N T 45S- 0 0 77 2,-0.1 -1,-0.2 75,-0.0 -2,-0.2 0.550 100.8-134.1 -87.7 -11.5 -23.8 88.2 183.0 81 99 E I T <5 + 0 0 1 -4,-1.0 3,-0.5 1,-0.2 2,-0.4 0.875 52.1 161.8 56.3 41.3 -20.8 86.4 184.6 82 100 E D B < +R 77 0E 33 -5,-1.8 -5,-2.1 1,-0.2 -1,-0.2 -0.754 51.9 10.4-100.6 135.3 -23.2 86.2 187.5 83 101 E N S S- 0 0 26 -2,-0.4 2,-2.2 -7,-0.2 -10,-0.3 0.912 77.3-177.6 64.1 47.8 -22.8 83.7 190.4 84 102 E D + 0 0 3 -3,-0.5 2,-0.3 74,-0.2 122,-0.2 -0.430 34.7 109.6 -79.3 67.7 -19.4 82.9 189.3 85 103 E I + 0 0 0 -2,-2.2 -12,-2.5 -47,-0.3 2,-0.3 -0.972 35.3 171.0-143.6 151.6 -18.4 80.3 191.8 86 104 E M E -NP 37 72C 2 -49,-1.8 -49,-2.4 -2,-0.3 2,-0.4 -0.981 22.0-133.5-157.0 155.7 -17.9 76.6 191.9 87 105 E L E -NP 36 71C 0 -16,-3.0 -16,-3.1 -2,-0.3 2,-0.4 -0.910 10.9-158.9-115.2 143.0 -16.6 73.8 194.1 88 106 E I E -NP 35 70C 0 -53,-2.5 -53,-2.1 -2,-0.4 2,-0.5 -0.989 10.9-145.6-122.8 123.8 -14.2 71.0 193.3 89 107 E K E -NP 34 69C 47 -20,-2.8 -21,-2.9 -2,-0.4 -20,-1.2 -0.788 20.2-129.1 -89.5 127.1 -14.1 67.8 195.4 90 108 E L E - 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