==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-JAN-97 1CZI . COMPND 2 MOLECULE: CHYMOSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.R.GROVES,V.DHANARAJ,J.E.PITTS,M.BADASSO,D.HOOVER,P.NUGENT, . 326 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13711.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 106 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 46 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 2 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 5 3 4 2 3 1 0 0 1 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 2 1 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 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 -2 E G 0 0 67 0, 0.0 2,-0.3 0, 0.0 147,-0.2 0.000 360.0 360.0 360.0 105.7 98.9 40.3 52.3 2 -1 E E B -a 148 0A 101 145,-1.1 147,-2.4 148,-0.1 2,-0.3 -0.932 360.0-125.4-152.2 172.2 98.8 36.7 53.5 3 1 E V - 0 0 57 -2,-0.3 2,-0.4 145,-0.2 166,-0.2 -0.907 21.8-158.4-124.5 154.1 99.6 33.2 52.6 4 2 E A E -B 168 0B 1 164,-2.4 164,-3.2 -2,-0.3 2,-0.6 -0.999 10.0-153.2-143.3 134.9 97.2 30.2 52.5 5 3 E S E -B 167 0B 68 -2,-0.4 162,-0.2 162,-0.2 -2,-0.0 -0.951 11.4-170.3-107.0 117.8 97.6 26.4 52.7 6 4 E V E -B 166 0B 4 160,-3.1 160,-2.5 -2,-0.6 2,-0.3 -0.872 17.8-141.6-107.6 99.0 94.8 24.4 51.0 7 5 E P E -B 165 0B 88 0, 0.0 12,-0.5 0, 0.0 2,-0.5 -0.552 19.9-144.5 -55.7 122.8 95.1 20.7 51.8 8 6 E L E -B 164 0B 9 156,-3.0 156,-1.1 -2,-0.3 2,-0.3 -0.838 3.4-142.3 -91.7 126.8 94.2 18.8 48.6 9 7 E T E -G 17 0C 65 8,-3.6 8,-1.7 -2,-0.5 2,-0.6 -0.600 14.0-142.1 -84.1 138.8 92.3 15.5 48.8 10 8 E N E -G 16 0C 20 -2,-0.3 2,-0.6 6,-0.2 6,-0.2 -0.911 14.7-172.6-113.7 119.5 93.2 12.8 46.2 11 9 E Y E >> S-G 15 0C 102 4,-2.6 3,-3.0 -2,-0.6 4,-1.8 -0.964 77.7 -37.4-105.9 115.0 90.6 10.5 44.6 12 10 E L T 34 S- 0 0 136 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.716 101.2 -78.6 44.6 33.8 92.2 7.8 42.5 13 11 E D T 34 S+ 0 0 33 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.626 124.4 90.4 54.9 14.6 94.9 10.3 41.4 14 12 E S T <4 S+ 0 0 23 -3,-3.0 2,-0.4 1,-0.3 312,-0.3 0.738 84.4 39.4-112.1 -22.4 92.3 11.7 39.0 15 13 E Q E < -G 11 0C 4 -4,-1.8 -4,-2.6 205,-0.1 2,-0.5 -0.998 57.8-173.0-132.7 130.8 90.7 14.4 41.1 16 14 E Y E +G 10 0C 4 -2,-0.4 17,-0.6 201,-0.2 2,-0.3 -0.973 18.9 165.1-122.0 116.8 92.3 16.8 43.5 17 15 E F E -GH 9 32C 18 -8,-1.7 -8,-3.6 -2,-0.5 15,-0.3 -0.961 16.9-165.5-135.4 148.8 90.0 18.9 45.5 18 16 E G E - H 0 31C 0 13,-2.1 13,-3.6 -2,-0.3 2,-0.3 -0.766 31.5 -94.5-124.0 172.6 90.3 21.1 48.6 19 17 E K E + H 0 30C 114 -12,-0.5 2,-0.3 -2,-0.3 11,-0.2 -0.661 40.1 171.7 -93.1 146.9 87.7 22.6 50.9 20 18 E I E - H 0 29C 0 9,-2.9 9,-2.6 -2,-0.3 2,-0.4 -0.957 22.0-137.0-150.4 155.8 86.3 26.2 50.6 21 19 E Y E -IH 92 28C 85 71,-1.2 71,-3.1 -2,-0.3 2,-0.4 -0.970 13.0-158.9-125.7 141.1 83.6 28.1 52.3 22 20 E L E > -IH 91 27C 0 5,-2.8 5,-2.8 -2,-0.4 69,-0.2 -0.986 49.0 -17.9-127.8 125.5 81.1 30.4 50.6 23 21 E G T 5S- 0 0 3 67,-2.3 4,-0.1 -2,-0.4 40,-0.1 0.040 88.6 -38.5 87.2-172.4 79.1 33.2 52.2 24 22 E T T 5S+ 0 0 56 1,-0.2 40,-2.8 2,-0.2 41,-0.4 -0.992 132.3 34.8-135.1 129.0 78.1 34.1 55.7 25 23 E P T 5S- 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.566 119.0-111.8 -53.3 149.1 77.4 32.1 57.6 26 24 E P T 5 - 0 0 79 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.226 28.4-156.9 -52.0 127.2 80.1 30.1 55.7 27 25 E Q E < -H 22 0C 32 -5,-2.8 -5,-2.8 -4,-0.1 2,-0.3 -0.920 19.2-126.4-106.8 141.0 78.8 27.2 53.6 28 26 E E E +H 21 0C 72 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.728 32.2 168.4-103.2 143.9 81.3 24.5 52.9 29 27 E F E -H 20 0C 3 -9,-2.6 -9,-2.9 -2,-0.3 2,-0.4 -0.948 30.5-134.0-142.6 144.2 82.2 23.2 49.5 30 28 E T E -H 19 0C 18 -2,-0.3 91,-2.0 -11,-0.2 90,-1.3 -0.908 31.8-173.6 -94.8 139.3 84.9 21.0 48.1 31 29 E V E -Hj 18 121C 0 -13,-3.6 -13,-2.1 -2,-0.4 2,-0.7 -0.987 26.8-128.2-136.8 132.7 86.3 22.4 44.9 32 30 E L E -Hj 17 122C 13 89,-2.1 91,-2.6 -2,-0.4 2,-0.9 -0.660 27.3-134.2 -69.1 120.7 88.7 21.1 42.4 33 31 E F E - j 0 123C 9 -2,-0.7 2,-0.6 -17,-0.6 91,-0.2 -0.655 29.2-167.8 -72.2 106.9 91.4 23.8 42.0 34 32 E D E > - j 0 124C 6 89,-2.0 91,-2.3 -2,-0.9 3,-0.8 -0.888 25.8-174.1-114.0 114.9 91.7 23.9 38.2 35 33 E T T 3 S+ 0 0 1 -2,-0.6 156,-0.4 89,-0.2 92,-0.1 0.406 83.8 68.8 -83.9 3.7 94.6 25.7 36.5 36 34 E G T 3 S+ 0 0 10 154,-0.1 2,-0.3 90,-0.1 -1,-0.2 0.182 103.8 36.2-103.6 11.7 92.9 25.0 33.1 37 35 E S < - 0 0 8 -3,-0.8 89,-3.4 86,-0.1 88,-1.1 -0.935 62.5-147.0-149.1 170.6 89.9 27.2 33.6 38 36 E S + 0 0 1 92,-0.4 2,-0.4 86,-0.3 100,-0.2 0.464 63.1 100.7-126.8 1.9 89.2 30.6 35.3 39 37 E D - 0 0 4 91,-0.2 85,-1.8 98,-0.1 2,-0.7 -0.670 53.8-152.9 -94.3 138.1 85.7 30.3 36.6 40 38 E F E +K 123 0C 1 -2,-0.4 64,-3.6 83,-0.3 2,-0.3 -0.929 30.0 156.4-103.3 115.2 84.8 29.6 40.2 41 39 E W E -Kl 122 104C 0 81,-2.5 81,-0.7 -2,-0.7 64,-0.2 -0.960 20.6-171.0-130.4 159.1 81.4 27.9 40.5 42 40 E V E - l 0 105C 0 62,-2.1 64,-2.3 -2,-0.3 79,-0.1 -0.961 41.0 -90.8-133.9 156.0 79.7 25.7 43.1 43 41 E P E - l 0 106C 0 0, 0.0 15,-3.6 0, 0.0 2,-0.3 -0.295 50.5-164.8 -54.1 150.5 76.4 23.8 42.9 44 42 E S B > -o 58 0D 0 62,-0.6 3,-1.5 13,-0.3 15,-0.2 -0.876 36.1 -97.3-136.3 175.5 73.6 25.9 44.1 45 43 E I T 3 S+ 0 0 32 13,-2.4 14,-0.1 -2,-0.3 62,-0.1 0.429 115.8 68.0 -72.3 0.3 70.0 25.4 45.2 46 44 E Y T 3 S+ 0 0 109 60,-0.5 2,-0.5 12,-0.2 -1,-0.3 0.383 83.4 90.1 -98.1 1.7 68.8 26.4 41.7 47 45 E a < + 0 0 1 -3,-1.5 61,-0.2 59,-0.1 60,-0.1 -0.853 43.5 173.3-108.4 130.8 70.2 23.3 40.2 48 46 E K + 0 0 132 59,-0.9 2,-0.1 -2,-0.5 -1,-0.1 0.199 37.8 127.2-125.1 14.4 68.2 20.1 39.9 49 47 E S S >> S- 0 0 12 58,-0.2 3,-2.5 1,-0.1 4,-1.4 -0.502 73.4-117.0 -65.7 144.6 70.7 18.2 37.9 50 48 E N H 3> S+ 0 0 110 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.813 119.4 60.4 -53.4 -33.3 71.4 14.8 39.6 51 49 E A H 34 S+ 0 0 0 58,-0.4 -1,-0.3 60,-0.3 57,-0.0 0.722 107.4 48.1 -64.6 -25.9 75.0 16.0 39.9 52 50 E a H X4 S+ 0 0 0 -3,-2.5 3,-0.6 2,-0.2 -2,-0.2 0.733 108.8 47.6 -84.3 -37.9 73.5 18.8 42.0 53 51 E K H 3< S+ 0 0 113 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.731 113.8 49.4 -78.6 -23.4 71.2 16.9 44.4 54 52 E N T 3< S+ 0 0 81 -4,-1.6 2,-0.2 -5,-0.2 -1,-0.2 0.210 113.4 53.3 -95.0 7.2 74.0 14.4 45.1 55 53 E H S < S- 0 0 24 -3,-0.6 2,-0.4 -5,-0.1 65,-0.1 -0.793 103.5 -75.9-131.7 175.5 76.5 17.2 45.8 56 54 E Q - 0 0 85 -2,-0.2 2,-0.5 -26,-0.1 -26,-0.1 -0.632 45.0-155.4 -83.4 133.1 76.5 20.2 48.1 57 55 E R - 0 0 106 -2,-0.4 -13,-0.3 -4,-0.1 2,-0.2 -0.896 14.1-127.0-111.0 119.5 74.3 23.1 46.8 58 56 E F B -o 44 0D 0 -15,-3.6 -13,-2.4 -2,-0.5 -12,-0.2 -0.429 14.7-153.4 -66.5 138.1 75.0 26.6 47.8 59 57 E D > - 0 0 14 -15,-0.2 3,-1.2 -2,-0.2 4,-0.4 -0.865 8.8-172.1-111.3 96.6 72.0 28.5 49.2 60 58 E P G > S+ 0 0 8 0, 0.0 3,-1.5 0, 0.0 6,-0.3 0.837 84.3 65.6 -58.9 -28.3 72.5 32.3 48.6 61 59 E R G 3 S+ 0 0 191 1,-0.3 5,-0.0 -3,-0.1 -2,-0.0 0.843 98.3 52.8 -61.4 -32.2 69.4 32.9 50.7 62 60 E K G < S+ 0 0 138 -3,-1.2 2,-0.5 2,-0.0 -1,-0.3 0.532 100.8 76.3 -80.5 -8.5 71.3 31.6 53.7 63 61 E S < - 0 0 8 -3,-1.5 3,-0.3 -4,-0.4 -40,-0.1 -0.915 57.0-169.6-113.3 126.3 74.2 34.0 53.0 64 62 E S S S+ 0 0 100 -40,-2.8 -1,-0.1 -2,-0.5 -3,-0.0 0.768 87.8 56.9 -88.4 -24.9 73.9 37.7 53.8 65 63 E T S S+ 0 0 56 -41,-0.4 2,-0.3 25,-0.1 -1,-0.2 0.514 81.8 119.0 -82.3 1.9 77.1 38.7 52.0 66 64 E F - 0 0 39 -3,-0.3 2,-0.5 -6,-0.3 23,-0.2 -0.490 44.0-172.2 -73.5 132.6 75.6 37.3 48.9 67 65 E Q E -M 88 0C 86 21,-3.5 21,-2.9 -2,-0.3 2,-0.3 -0.973 19.9-131.0-124.7 120.3 75.1 39.7 46.1 68 66 E N E -M 87 0C 103 -2,-0.5 19,-0.2 19,-0.2 21,-0.0 -0.518 21.4-179.1 -70.9 129.1 73.3 38.8 43.0 69 67 E L E - 0 0 50 17,-1.7 18,-0.2 -2,-0.3 -1,-0.2 0.768 23.4-150.9 -88.8 -41.2 75.1 39.6 39.7 70 68 E G E + 0 0 44 16,-1.8 17,-0.1 1,-0.2 -2,-0.1 0.178 51.3 124.6 94.0 -22.6 72.4 38.3 37.5 71 69 E K E - 0 0 73 15,-0.2 15,-1.9 14,-0.1 -1,-0.2 -0.610 62.5-113.8 -83.7 133.0 74.6 37.4 34.6 72 70 E P E -M 85 0C 93 0, 0.0 2,-0.4 0, 0.0 13,-0.3 -0.188 21.3-153.0 -61.3 153.0 74.6 33.8 33.3 73 71 E L E +M 84 0C 1 11,-3.5 11,-4.0 32,-0.2 2,-0.3 -0.965 19.1 167.1-124.8 131.9 77.6 31.4 33.6 74 72 E S E -M 83 0C 64 -2,-0.4 2,-0.4 9,-0.3 9,-0.2 -0.882 8.8-177.2-153.5 120.7 78.1 28.6 31.2 75 73 E I E -M 82 0C 16 7,-3.4 7,-2.2 -2,-0.3 2,-0.5 -0.960 14.0-164.9-128.2 140.6 81.3 26.6 30.9 76 74 E H E +M 81 0C 141 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.982 12.8 179.9-120.4 112.8 82.4 23.9 28.6 77 75 E Y - 0 0 39 3,-1.6 3,-0.3 -2,-0.5 -40,-0.0 -0.171 48.5-100.9 -86.9-168.2 85.5 21.9 29.7 78 76 E G S S+ 0 0 64 249,-2.3 2,-0.3 1,-0.3 -1,-0.1 0.562 122.5 30.6 -84.4 -13.2 86.9 19.1 27.7 79 77 E T S S+ 0 0 39 248,-1.2 -1,-0.3 1,-0.1 248,-0.3 -0.719 121.5 9.6-148.2 90.1 85.2 16.9 30.2 80 78 E G - 0 0 18 -3,-0.3 -3,-1.6 -2,-0.3 2,-0.3 -0.418 55.2-134.0 128.9 170.7 82.1 18.4 31.7 81 79 E S E +M 76 0C 24 29,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.986 15.9 179.3-157.7 137.0 79.5 21.2 31.4 82 80 E M E -M 75 0C 0 -7,-2.2 -7,-3.4 -2,-0.3 2,-0.4 -0.993 11.2-161.6-142.9 144.1 77.9 23.6 33.8 83 81 E Q E +MN 74 108C 83 25,-2.7 24,-3.8 -2,-0.4 25,-1.7 -0.951 27.7 157.2-115.8 143.3 75.4 26.4 33.4 84 82 E G E -MN 73 106C 2 -11,-4.0 -11,-3.5 -2,-0.4 2,-0.3 -0.877 40.4-112.3-154.2 178.6 75.1 28.9 36.3 85 83 E I E -MN 72 105C 47 20,-1.7 20,-3.0 -13,-0.3 2,-0.3 -0.854 39.0-120.7-115.4 144.5 74.0 32.4 37.4 86 84 E L E + N 0 104C 0 -15,-1.9 -16,-1.8 -2,-0.3 -17,-1.7 -0.750 41.1 152.0 -97.8 146.3 76.7 34.8 38.6 87 85 E G E -MN 68 103C 0 16,-1.7 16,-2.4 -2,-0.3 2,-0.3 -0.884 34.7-117.1-154.4 178.7 76.8 36.3 42.0 88 86 E Y E +MN 67 102C 53 -21,-2.9 -21,-3.5 -2,-0.3 2,-0.3 -0.929 40.2 135.5-123.9 149.8 79.2 37.7 44.6 89 87 E D E - N 0 101C 1 12,-1.2 12,-3.0 -2,-0.3 2,-0.5 -0.906 55.7 -71.6-176.1-179.4 79.9 36.5 48.1 90 88 E T E - 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