==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 07-JUN-99 1CO7 . COMPND 2 MOLECULE: TRYPSIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR G.F.STAMPER,D.RINGE,L.HEDSTROM . 264 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 60.6 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 . 83 31.4 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 1.5 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 . 21 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 6.8 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 1 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 . 6 2 1 6 2 2 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,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 121.2 -18.8 -84.7 -1.9 2 17 E V B +A 171 0A 13 169,-3.6 169,-2.1 1,-0.2 123,-0.1 -0.900 360.0 11.2-106.4 126.4 -22.3 -84.3 -0.3 3 18 E G S S+ 0 0 38 -2,-0.5 -1,-0.2 121,-0.5 167,-0.1 0.681 101.7 117.4 84.7 18.2 -22.7 -82.1 2.7 4 19 E G - 0 0 29 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.089 57.4-119.7-100.8-158.5 -19.2 -80.5 2.4 5 20 E Y E -B 137 0B 104 132,-2.3 132,-3.4 -3,-0.1 2,-0.3 -0.951 36.9 -85.8-141.9 158.7 -17.9 -77.0 1.8 6 21 E T E -B 136 0B 66 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.525 50.0-119.2 -69.5 128.0 -15.7 -75.5 -0.9 7 22 E a - 0 0 4 128,-2.4 2,-0.1 -2,-0.3 3,-0.1 -0.331 32.3 -98.8 -65.6 149.4 -12.1 -76.0 0.0 8 23 E Q > - 0 0 154 1,-0.1 3,-2.0 2,-0.1 4,-0.4 -0.473 58.3 -78.9 -68.4 139.0 -10.0 -72.9 0.5 9 24 E E T 3 S- 0 0 106 1,-0.3 -1,-0.1 -2,-0.1 44,-0.1 -0.166 111.1 -10.5 -47.4 133.4 -8.0 -72.0 -2.6 10 25 E N T 3 S+ 0 0 61 42,-0.1 -1,-0.3 2,-0.1 43,-0.1 0.671 94.2 123.1 30.0 47.9 -4.9 -74.3 -2.8 11 26 E S S < S+ 0 0 55 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.461 76.3 50.6 -96.0 -12.8 -5.4 -75.7 0.8 12 27 E V > + 0 0 8 -4,-0.4 3,-1.6 1,-0.1 -1,-0.2 -0.486 68.2 159.3-125.7 64.6 -5.5 -79.2 -0.7 13 28 E P T 3 + 0 0 31 0, 0.0 88,-1.7 0, 0.0 38,-0.3 0.561 67.6 59.8 -63.3 -16.2 -2.3 -79.1 -2.9 14 29 E Y T 3 S+ 0 0 23 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.523 80.7 108.0 -92.1 -7.6 -1.9 -82.9 -3.1 15 30 E Q E < -K 28 0C 5 -3,-1.6 36,-0.5 13,-0.2 37,-0.4 -0.526 47.6-176.8 -74.6 131.8 -5.3 -83.4 -4.8 16 31 E V E -KL 27 50C 1 11,-2.1 11,-1.0 -2,-0.3 2,-0.4 -0.866 20.5-135.6-126.0 161.2 -5.3 -84.3 -8.4 17 32 E S E -KL 26 49C 1 32,-2.1 32,-2.9 -2,-0.3 2,-0.5 -0.957 14.0-142.4-115.9 135.5 -8.0 -84.9 -11.1 18 33 E L E -KL 25 48C 0 7,-2.8 6,-2.2 -2,-0.4 7,-1.0 -0.885 27.0-175.0 -98.4 126.1 -7.8 -87.8 -13.4 19 34 E N E +KL 23 47C 12 28,-2.8 28,-2.7 -2,-0.5 4,-0.2 -0.976 31.5 165.8-130.6 134.9 -9.0 -86.8 -16.9 20 37 E S S S- 0 0 53 2,-1.7 3,-0.1 -2,-0.4 -1,-0.1 -0.088 98.3 -41.6-133.1 32.9 -9.5 -88.7 -20.1 21 38 E G S S+ 0 0 67 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 -0.178 140.1 24.7 131.2 -34.8 -11.5 -86.0 -21.8 22 39 E Y S S- 0 0 68 -4,-0.0 -2,-1.7 0, 0.0 2,-0.3 -0.937 100.5 -82.5-147.8 162.7 -13.5 -85.2 -18.7 23 40 E H E +K 19 0C 15 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.560 52.2 157.1 -71.2 131.7 -12.8 -85.5 -15.0 24 41 E F E + 0 0 1 -6,-2.2 209,-2.0 1,-0.4 2,-0.3 0.526 58.5 6.6-131.8 -14.3 -13.7 -89.1 -13.8 25 42 E b E -K 18 0C 0 -7,-1.0 -7,-2.8 207,-0.2 -1,-0.4 -0.981 61.6-124.8-162.5 165.2 -11.7 -89.7 -10.6 26 43 E G E +K 17 0C 1 151,-3.6 12,-0.4 -2,-0.3 2,-0.3 -0.447 25.2 175.5-107.1-176.1 -9.5 -88.1 -8.0 27 44 E G E -K 16 0C 0 -11,-1.0 -11,-2.1 -2,-0.2 2,-0.4 -0.967 24.3-113.3-173.7 175.5 -6.0 -89.0 -6.8 28 45 E S E -KM 15 36C 0 8,-2.2 8,-2.6 -2,-0.3 2,-0.7 -0.991 19.0-130.4-131.7 136.6 -3.2 -88.0 -4.5 29 46 E L E + M 0 35C 0 -15,-2.2 74,-2.0 -2,-0.4 6,-0.2 -0.739 27.5 172.5 -84.3 115.7 0.4 -86.9 -5.3 30 47 E I E - 0 0 20 4,-2.1 2,-0.3 -2,-0.7 -1,-0.2 0.650 68.1 -6.8 -99.7 -16.9 2.8 -88.8 -3.1 31 48 E N E > S- M 0 34C 46 3,-1.2 3,-1.4 70,-0.1 -1,-0.3 -0.954 90.5 -78.6-165.1 166.5 6.1 -87.7 -4.7 32 49 E D T 3 S+ 0 0 68 -2,-0.3 62,-2.4 1,-0.2 60,-0.1 0.561 127.6 27.0 -55.5 -4.6 7.1 -85.6 -7.7 33 50 E Q T 3 S+ 0 0 56 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.388 108.6 74.1-135.4 1.6 6.4 -88.4 -10.2 34 51 E W E < -MN 31 89C 6 -3,-1.4 -4,-2.1 55,-0.2 -3,-1.2 -0.975 47.6-171.8-131.0 135.8 3.8 -90.7 -8.6 35 52 E V E -MN 29 88C 0 53,-2.9 53,-3.2 -2,-0.4 2,-0.4 -0.909 12.4-151.5-116.9 140.9 0.1 -90.5 -8.1 36 53 E V E +MN 28 87C 0 -8,-2.6 -8,-2.2 -2,-0.4 51,-0.2 -0.962 30.2 143.8-116.9 134.9 -2.0 -92.9 -6.0 37 54 E S E - N 0 86C 0 49,-2.8 49,-2.2 -2,-0.4 2,-0.3 -0.692 50.9 -62.0-145.7-162.9 -5.7 -93.6 -6.8 38 55 E A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.2 -0.750 34.1-132.6 -97.0 143.7 -8.3 -96.4 -6.8 39 56 E A G > S+ 0 0 1 -2,-0.3 3,-1.6 1,-0.3 -1,-0.1 0.798 106.1 63.0 -63.7 -29.4 -7.9 -99.4 -9.1 40 57 E H G 3 S+ 0 0 20 1,-0.3 -1,-0.3 41,-0.1 192,-0.1 0.565 92.0 67.0 -74.1 -3.6 -11.5 -99.1 -10.3 41 58 E b G < S+ 0 0 2 -3,-1.6 -1,-0.3 191,-0.1 -2,-0.2 0.270 77.3 139.4 -93.7 8.4 -10.5 -95.8 -11.7 42 59 E Y < + 0 0 106 -3,-1.6 2,-0.3 207,-0.1 -3,-0.1 -0.226 21.0 163.8 -59.3 140.6 -8.3 -97.6 -14.2 43 60 E K - 0 0 43 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.967 44.2-125.6-152.5 146.1 -8.1 -96.4 -17.8 44 61 E S S S+ 0 0 83 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.794 102.6 37.2 -66.9 -26.8 -5.6 -97.2 -20.5 45 62 E R S S+ 0 0 193 -3,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.979 72.5 167.2-129.7 120.2 -5.0 -93.5 -21.1 46 63 E I - 0 0 7 -2,-0.4 21,-2.9 21,-0.2 2,-0.5 -0.995 21.2-159.4-138.0 136.6 -5.0 -90.9 -18.3 47 64 E Q E -LO 19 66C 46 -28,-2.7 -28,-2.8 -2,-0.4 2,-0.5 -0.941 19.4-143.1-110.6 132.7 -4.0 -87.3 -18.1 48 66 E V E -LO 18 65C 0 17,-3.7 17,-2.8 -2,-0.5 2,-0.6 -0.836 9.4-159.1 -99.1 129.8 -3.3 -86.1 -14.6 49 67 E R E -LO 17 64C 51 -32,-2.9 -32,-2.1 -2,-0.5 3,-0.3 -0.937 12.7-176.8-113.1 118.4 -4.2 -82.5 -13.7 50 68 E L E +LO 16 63C 2 13,-2.9 13,-2.6 -2,-0.6 -34,-0.1 -0.779 60.5 33.6-111.2 155.7 -2.5 -80.9 -10.7 51 69 E G S S+ 0 0 12 -36,-0.5 10,-0.2 48,-0.3 2,-0.2 0.684 82.3 155.0 76.3 18.9 -3.0 -77.5 -9.1 52 70 E E + 0 0 18 -37,-0.4 -1,-0.2 -3,-0.3 -42,-0.1 -0.493 20.8 149.1 -83.4 147.6 -6.7 -77.5 -9.9 53 71 E H S S+ 0 0 22 4,-0.2 82,-1.2 -2,-0.2 2,-0.8 0.403 82.3 31.8-134.9 -58.8 -9.5 -75.7 -8.0 54 72 E N B > S-Q 134 0D 25 3,-0.2 3,-2.0 80,-0.2 80,-0.2 -0.876 71.3-165.4-105.5 97.8 -12.1 -74.9 -10.7 55 73 E I T 3 S+ 0 0 31 78,-1.7 -1,-0.1 -2,-0.8 79,-0.1 0.581 84.9 55.4 -61.9 -7.1 -11.8 -77.9 -13.0 56 74 E N T 3 S+ 0 0 108 77,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.369 102.2 58.6-108.2 6.5 -13.8 -76.1 -15.6 57 75 E V S < S- 0 0 76 -3,-2.0 2,-0.9 76,-0.1 -3,-0.2 -0.998 79.4-123.4-136.4 137.8 -11.7 -72.9 -15.9 58 76 E L + 0 0 145 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.720 36.2 170.7 -80.7 110.6 -8.1 -72.4 -16.9 59 77 E E - 0 0 63 -2,-0.9 -1,-0.2 -5,-0.1 -4,-0.0 0.708 46.0-113.5 -94.5 -26.4 -6.8 -70.5 -13.8 60 78 E G S S+ 0 0 62 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.280 98.7 79.1 111.6 -12.3 -3.0 -70.5 -14.5 61 79 E N + 0 0 55 -10,-0.2 2,-0.1 2,-0.0 -9,-0.1 0.489 67.7 109.1-104.6 -7.3 -1.7 -72.7 -11.7 62 80 E E - 0 0 24 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.3 -0.367 51.1-156.1 -74.6 150.0 -2.6 -76.1 -13.2 63 81 E Q E -O 50 0C 35 -13,-2.6 -13,-2.9 -2,-0.1 2,-0.5 -0.981 5.0-155.7-124.0 135.3 -0.1 -78.6 -14.5 64 82 E F E +O 49 0C 90 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.966 21.1 167.2-115.8 115.1 -1.2 -81.2 -17.1 65 83 E V E -O 48 0C 14 -17,-2.8 -17,-3.7 -2,-0.5 2,-0.2 -0.994 28.5-130.6-132.8 132.7 0.9 -84.4 -17.1 66 84 E N E -O 47 0C 84 -2,-0.4 25,-2.6 -19,-0.3 2,-0.3 -0.515 28.0-109.9 -81.9 147.7 0.1 -87.6 -18.9 67 85 E A E -P 90 0C 23 -21,-2.9 23,-0.2 23,-0.2 -21,-0.2 -0.586 29.7-177.9 -75.7 134.7 0.4 -91.0 -17.1 68 86 E A E S+ 0 0 61 21,-3.4 2,-0.4 1,-0.4 22,-0.2 0.716 72.7 21.3-102.2 -30.7 3.3 -93.1 -18.3 69 87 E K E -P 89 0C 80 20,-1.6 20,-3.3 2,-0.0 2,-0.5 -0.994 61.2-168.8-142.1 131.8 2.7 -96.2 -16.1 70 88 E I E -P 88 0C 43 -2,-0.4 2,-0.5 18,-0.2 18,-0.2 -0.982 11.6-176.7-123.5 116.9 -0.5 -97.3 -14.4 71 89 E I E -P 87 0C 41 16,-3.5 16,-3.5 -2,-0.5 2,-0.2 -0.938 6.2-165.2-123.8 114.1 -0.1 -100.1 -11.9 72 90 E K E -P 86 0C 48 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.541 41.1 -86.9 -89.1 156.1 -3.0 -101.7 -10.1 73 91 E H > - 0 0 22 12,-2.1 3,-1.9 10,-0.3 -1,-0.1 -0.422 35.3-128.7 -62.1 134.3 -2.6 -103.9 -7.0 74 92 E P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.727 107.3 49.3 -58.1 -21.6 -2.0 -107.5 -8.2 75 93 E N T 3 S+ 0 0 107 8,-0.1 7,-0.1 2,-0.1 2,-0.1 0.186 76.5 140.5-105.1 16.0 -4.8 -108.6 -5.9 76 94 E F < - 0 0 31 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.365 37.5-155.9 -62.0 133.1 -7.5 -106.1 -6.8 77 95 E D > - 0 0 68 5,-1.9 4,-2.5 1,-0.1 5,-0.3 -0.954 8.2-162.4-115.2 112.9 -10.9 -107.7 -7.0 78 96 E R T 4 S+ 0 0 169 -2,-0.6 173,-0.4 1,-0.2 -1,-0.1 0.654 90.2 49.5 -68.3 -15.5 -13.4 -105.9 -9.3 79 97 E K T 4 S+ 0 0 146 171,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.906 126.3 20.8 -88.7 -49.8 -16.3 -107.6 -7.6 80 98 E T T 4 S- 0 0 62 2,-0.1 -2,-0.2 76,-0.0 3,-0.1 0.603 94.6-132.6 -94.6 -14.6 -15.6 -107.1 -3.9 81 99 E L >< + 0 0 4 -4,-2.5 3,-0.9 1,-0.2 2,-0.3 0.713 46.3 161.4 68.7 21.1 -13.3 -104.1 -4.4 82 100 E N T 3 + 0 0 36 -5,-0.3 -5,-1.9 1,-0.3 -1,-0.2 -0.579 67.6 16.7 -72.8 136.3 -10.7 -105.6 -2.0 83 101 E N T 3 S+ 0 0 17 -2,-0.3 2,-2.1 -7,-0.2 -10,-0.3 0.891 79.0 177.2 66.5 42.8 -7.3 -104.0 -2.6 84 102 E D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.522 35.2 114.6 -79.7 77.3 -8.8 -101.0 -4.5 85 103 E I + 0 0 0 -2,-2.1 -12,-2.1 -47,-0.2 2,-0.3 -0.994 36.8 177.0-148.1 146.7 -5.5 -99.2 -5.0 86 104 E M E -NP 37 72C 0 -49,-2.2 -49,-2.8 -2,-0.3 2,-0.4 -0.994 18.1-139.5-152.7 146.0 -3.4 -98.2 -8.0 87 105 E L E -NP 36 71C 0 -16,-3.5 -16,-3.5 -2,-0.3 2,-0.5 -0.882 11.1-161.2-111.3 141.9 -0.2 -96.3 -8.7 88 106 E I E -NP 35 70C 0 -53,-3.2 -53,-2.9 -2,-0.4 2,-0.5 -0.982 5.4-154.3-124.6 127.4 0.4 -93.9 -11.6 89 107 E K E -NP 34 69C 43 -20,-3.3 -21,-3.4 -2,-0.5 -20,-1.6 -0.889 22.6-130.1 -99.6 129.4 3.8 -92.8 -12.8 90 108 E L E - 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