==== 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(ACID PROTEINASE) 12-OCT-89 1CMS . COMPND 2 MOLECULE: PROCHYMOSIN A/B PRECURSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR G.L.GILLILAND,E.L.WINBORNE,J.NACHMAN,A.WLODAWER . 323 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14209.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 243 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 33.4 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 . 41 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 8.4 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 3 1 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 1 1 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 6 1 5 2 3 0 1 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 1 0 1 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 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 1 A G 0 0 82 0, 0.0 147,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-149.7 13.5 47.8 38.3 2 2 A E B -a 148 0A 90 145,-2.5 147,-1.8 148,-0.1 2,-0.5 -0.788 360.0-137.7-123.2 160.6 16.9 46.7 36.9 3 3 A V - 0 0 60 -2,-0.3 2,-0.4 145,-0.2 166,-0.2 -0.973 20.1-163.1-112.3 125.4 18.5 45.5 33.7 4 4 A A E -B 168 0B 0 164,-1.3 164,-2.8 -2,-0.5 2,-0.5 -0.929 5.4-155.7-109.9 141.6 21.0 42.6 33.9 5 5 A S E -B 167 0B 61 -2,-0.4 162,-0.2 162,-0.2 90,-0.1 -0.996 11.6-176.4-116.9 121.1 23.5 41.8 31.1 6 6 A V E -B 166 0B 5 160,-2.9 160,-2.2 -2,-0.5 2,-0.2 -0.927 17.1-145.3-123.8 97.0 24.6 38.1 31.0 7 7 A P E -B 165 0B 81 0, 0.0 12,-0.4 0, 0.0 158,-0.3 -0.376 17.2-139.1 -65.6 125.9 27.3 37.4 28.3 8 8 A L - 0 0 11 156,-1.0 2,-0.4 148,-0.2 156,-0.3 -0.666 11.3-159.6 -92.4 146.6 26.9 34.0 26.8 9 9 A T E -G 17 0C 84 8,-1.7 8,-2.7 -2,-0.3 2,-0.5 -0.965 14.6-142.9-119.4 136.0 29.7 31.6 26.0 10 10 A N E -G 16 0C 33 -2,-0.4 2,-0.9 151,-0.3 6,-0.2 -0.923 12.0-153.1-119.5 139.8 29.2 28.8 23.5 11 11 A Y E >> S-G 15 0C 90 4,-2.3 4,-1.1 -2,-0.5 3,-0.9 -0.867 82.3 -43.2-106.8 85.5 30.5 25.4 23.5 12 12 A L T 34 S- 0 0 111 -2,-0.9 -1,-0.1 1,-0.2 4,-0.1 0.729 102.8 -56.9 44.9 62.0 30.5 24.7 19.8 13 13 A D T 34 S+ 0 0 56 2,-0.2 -1,-0.2 1,-0.1 287,-0.1 0.481 132.0 76.5 67.2 8.3 27.2 26.1 18.5 14 14 A S T <4 S+ 0 0 45 -3,-0.9 2,-0.5 1,-0.3 -2,-0.2 0.732 87.7 39.0-114.8 -43.0 25.5 23.8 20.9 15 15 A Q E < -G 11 0C 19 -4,-1.1 -4,-2.3 205,-0.1 2,-0.6 -0.974 53.3-172.7-124.6 121.0 25.6 25.1 24.5 16 16 A Y E +G 10 0C 5 -2,-0.5 17,-0.8 201,-0.3 2,-0.3 -0.950 25.1 163.1-114.9 114.2 25.2 28.8 25.4 17 17 A F E -GH 9 32C 19 -8,-2.7 -8,-1.7 -2,-0.6 15,-0.2 -0.951 14.1-180.0-134.3 151.0 25.9 29.3 29.1 18 18 A G E - H 0 31C 2 13,-2.3 13,-2.8 -2,-0.3 2,-0.5 -0.730 32.0 -71.3-138.1-174.9 26.7 32.1 31.5 19 19 A K E + H 0 30C 91 -12,-0.4 75,-0.4 -2,-0.2 2,-0.3 -0.801 38.4 165.1 -93.8 130.0 27.4 33.0 35.1 20 20 A I E - H 0 29C 0 9,-2.0 9,-2.8 -2,-0.5 2,-0.4 -0.845 23.9-139.1-130.7 157.8 25.2 33.0 38.1 21 21 A Y E -IH 92 28C 70 71,-2.3 71,-3.1 -2,-0.3 2,-0.4 -0.988 15.5-165.4-120.6 134.8 26.0 33.2 41.9 22 22 A L E > +IH 91 27C 0 5,-2.7 5,-1.9 -2,-0.4 69,-0.2 -0.973 45.3 3.0-126.5 130.5 24.1 31.2 44.6 23 23 A G T 5S- 0 0 6 67,-2.0 4,-0.1 -2,-0.4 40,-0.1 -0.290 90.4 -44.6 95.0 178.6 24.1 31.6 48.4 24 24 A T T 5S+ 0 0 56 1,-0.3 40,-2.3 2,-0.1 41,-0.3 -0.990 131.2 24.9-134.1 112.3 25.6 34.0 50.8 25 25 A P T 5S- 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 0.681 121.9 -92.4 -75.6 167.4 28.4 34.6 50.3 26 26 A P T 5 - 0 0 89 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.104 32.3-164.8 -51.9 124.4 28.2 33.8 46.6 27 27 A Q E < -H 22 0C 33 -5,-1.9 -5,-2.7 -4,-0.1 2,-0.4 -0.882 26.2-132.8-104.4 134.6 29.1 30.4 45.0 28 28 A E E +H 21 0C 83 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.833 28.4 173.8 -97.6 138.6 29.6 30.7 41.2 29 29 A F E -H 20 0C 3 -9,-2.8 -9,-2.0 -2,-0.4 2,-0.5 -0.883 29.7-130.8-136.1 156.0 28.1 28.4 38.6 30 30 A T E -H 19 0C 21 -2,-0.3 90,-2.6 -11,-0.2 91,-1.6 -0.946 35.2-175.9-109.5 127.3 27.8 28.2 34.8 31 31 A V E -Hj 18 121C 0 -13,-2.8 -13,-2.3 -2,-0.5 2,-0.7 -0.989 30.5-124.1-130.9 143.0 24.2 27.6 33.7 32 32 A L E -Hj 17 122C 2 89,-2.0 91,-2.2 -2,-0.4 2,-0.8 -0.769 26.7-138.6 -79.7 110.3 22.5 27.0 30.4 33 33 A F E - j 0 123C 13 -17,-0.8 2,-0.6 -2,-0.7 91,-0.2 -0.715 30.0-162.5 -76.8 113.7 19.8 29.7 30.0 34 34 A D E > - j 0 124C 13 89,-2.1 91,-3.1 -2,-0.8 3,-1.3 -0.897 32.5-178.1-112.1 100.2 17.0 27.5 28.7 35 35 A T T 3 S+ 0 0 0 -2,-0.6 156,-0.3 1,-0.3 92,-0.2 0.596 86.6 63.9 -71.9 -8.0 13.8 28.8 26.9 36 36 A G T 3 S+ 0 0 14 154,-0.1 2,-0.3 90,-0.1 -1,-0.3 0.198 105.1 35.0-100.3 14.8 12.7 25.2 26.6 37 37 A S < - 0 0 31 -3,-1.3 89,-2.0 86,-0.1 88,-1.0 -0.931 60.3-147.4-156.7 162.5 12.2 24.3 30.4 38 38 A S + 0 0 1 92,-0.4 100,-0.2 -2,-0.3 2,-0.2 0.346 63.2 93.0-119.5 -3.4 11.1 26.2 33.6 39 39 A D - 0 0 14 91,-0.2 85,-2.4 98,-0.1 2,-0.4 -0.556 56.9-145.1 -93.3 158.8 13.1 24.7 36.5 40 40 A F E +K 123 0C 4 83,-0.2 64,-3.1 -2,-0.2 2,-0.3 -0.979 29.5 152.5-121.5 127.3 16.5 25.9 38.1 41 41 A W E -Kl 122 104C 4 81,-1.7 81,-1.0 -2,-0.4 64,-0.2 -0.987 18.6-173.1-155.5 154.3 19.0 23.4 39.5 42 42 A V E - l 0 105C 0 62,-2.4 64,-2.3 -2,-0.3 2,-0.1 -0.866 41.6 -86.1-140.2 166.5 22.7 23.1 40.1 43 43 A P - 0 0 0 0, 0.0 15,-3.5 0, 0.0 2,-0.3 -0.462 45.1-155.0 -74.2 147.0 24.9 20.2 41.3 44 44 A S B > -o 58 0D 0 62,-0.5 3,-2.6 13,-0.3 15,-0.2 -0.867 30.1-107.8-122.5 161.5 25.2 19.8 45.1 45 45 A I T 3 S+ 0 0 43 13,-2.0 14,-0.1 1,-0.3 62,-0.1 0.579 117.3 66.0 -62.5 -13.2 27.9 18.2 47.4 46 46 A Y T 3 S+ 0 0 153 60,-0.4 2,-0.6 12,-0.2 -1,-0.3 0.412 80.3 99.9 -85.9 0.4 25.4 15.4 48.1 47 47 A a < + 0 0 0 -3,-2.6 61,-0.2 1,-0.1 60,-0.1 -0.823 47.0 177.2 -91.1 123.1 25.8 14.4 44.4 48 48 A K + 0 0 174 59,-1.1 -1,-0.1 -2,-0.6 60,-0.1 0.651 37.6 114.8 -97.2 -24.3 28.2 11.5 44.0 49 49 A S S >> S- 0 0 22 58,-0.4 4,-2.3 1,-0.1 3,-1.0 0.027 77.7-111.2 -44.7 144.2 28.1 10.8 40.2 50 50 A N H 3> S+ 0 0 111 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.831 119.6 57.7 -44.9 -39.6 31.1 11.4 37.9 51 51 A A H 34 S+ 0 0 0 58,-0.6 3,-0.4 2,-0.2 -1,-0.3 0.864 106.5 46.6 -62.6 -43.1 29.3 14.3 36.3 52 52 A a H X4 S+ 0 0 0 -3,-1.0 3,-1.2 1,-0.2 -2,-0.2 0.816 108.6 56.9 -66.8 -33.1 29.0 16.1 39.8 53 53 A K H 3< S+ 0 0 147 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.736 106.5 51.0 -67.7 -21.7 32.6 15.3 40.4 54 54 A N T 3< S+ 0 0 99 -4,-0.7 2,-0.3 -3,-0.4 -1,-0.3 0.244 109.2 49.5-101.6 10.3 33.4 17.2 37.2 55 55 A H S < S- 0 0 25 -3,-1.2 2,-0.2 65,-0.0 65,-0.1 -0.882 97.2 -69.9-139.6 175.5 31.5 20.4 37.8 56 56 A Q - 0 0 111 -2,-0.3 2,-0.4 -26,-0.1 -26,-0.1 -0.539 50.6-158.3 -66.0 128.5 30.9 23.2 40.4 57 57 A R - 0 0 94 -2,-0.2 2,-0.3 -15,-0.1 -13,-0.3 -0.940 15.9-120.5-115.1 130.9 28.9 21.8 43.3 58 58 A F B -o 44 0D 0 -15,-3.5 -13,-2.0 -2,-0.4 -12,-0.2 -0.595 17.9-156.8 -73.7 127.2 26.9 23.9 45.7 59 59 A D > - 0 0 19 -2,-0.3 3,-2.2 -15,-0.2 4,-0.2 -0.922 9.6-176.2-105.5 93.4 27.9 23.6 49.4 60 60 A P G > S+ 0 0 11 0, 0.0 3,-1.0 0, 0.0 6,-0.3 0.694 80.8 70.1 -65.2 -25.4 24.9 24.6 51.5 61 61 A R G 3 S+ 0 0 189 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.680 99.4 50.3 -69.9 -13.3 27.0 24.2 54.6 62 62 A K G < S+ 0 0 142 -3,-2.2 2,-0.5 -37,-0.0 -1,-0.3 0.461 95.2 86.4-102.8 -1.7 28.7 27.4 53.4 63 63 A S < - 0 0 15 -3,-1.0 -40,-0.1 -4,-0.2 26,-0.0 -0.808 55.0-164.9-106.9 134.9 25.6 29.4 52.8 64 64 A S S S+ 0 0 98 -40,-2.3 -1,-0.1 -2,-0.5 -3,-0.0 0.620 93.9 48.2 -88.9 -17.4 24.0 31.4 55.5 65 65 A T S S+ 0 0 57 -41,-0.3 -1,-0.1 -40,-0.1 2,-0.1 0.266 82.8 123.7-106.4 6.7 20.7 31.8 53.5 66 66 A F + 0 0 53 -6,-0.3 2,-0.2 -42,-0.2 23,-0.2 -0.500 32.4 174.4 -69.9 144.2 20.4 28.1 52.5 67 67 A Q E -M 88 0C 107 21,-1.5 21,-0.7 -2,-0.1 -1,-0.0 -0.774 24.1-137.6-155.9 99.3 17.2 26.5 53.5 68 68 A N E -M 87 0C 88 19,-0.2 19,-0.3 -2,-0.2 18,-0.1 -0.202 17.3-177.5 -55.7 149.8 16.3 22.9 52.5 69 69 A L E - 0 0 49 17,-1.9 18,-0.2 2,-0.1 -1,-0.2 0.553 25.9-146.6-117.5 -34.3 12.7 22.3 51.4 70 70 A G E + 0 0 40 16,-1.7 17,-0.1 1,-0.3 -2,-0.1 0.141 47.3 137.1 83.3 -18.6 13.2 18.6 50.8 71 71 A K E - 0 0 72 15,-0.3 15,-3.3 1,-0.1 -1,-0.3 -0.237 55.4-108.8 -60.5 145.2 10.8 18.3 47.9 72 72 A P E -M 85 0C 101 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.455 27.7-169.5 -82.2 146.1 11.9 16.1 44.9 73 73 A L E -M 84 0C 5 11,-1.7 11,-2.5 -2,-0.2 2,-0.4 -0.953 3.2-176.1-142.9 115.9 12.9 17.3 41.5 74 74 A S E -M 83 0C 78 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.927 13.0-178.3-112.0 133.2 13.4 15.0 38.5 75 75 A I E -M 82 0C 19 7,-2.6 7,-2.5 -2,-0.4 2,-0.4 -0.948 21.2-146.1-140.8 160.8 14.6 16.3 35.2 76 76 A H E +M 81 0C 144 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.998 17.6 167.9-128.4 128.6 15.4 15.4 31.6 77 77 A Y E > -M 80 0C 44 3,-1.9 3,-2.4 -2,-0.4 37,-0.1 -0.970 66.9 -46.9-142.4 114.5 18.1 16.8 29.4 78 78 A G T 3 S- 0 0 69 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.380 124.4 -22.4 60.7-129.5 19.0 15.1 26.2 79 79 A T T 3 S+ 0 0 138 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.577 123.3 109.3 -86.0 -3.9 19.4 11.4 26.9 80 80 A G E < -M 77 0C 4 -3,-2.4 -3,-1.9 31,-0.0 2,-0.4 -0.288 50.8-166.0 -80.3 149.8 20.0 12.5 30.5 81 81 A S E -M 76 0C 54 29,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.997 9.3-169.9-135.1 123.5 18.1 12.2 33.7 82 82 A M E -M 75 0C 2 -7,-2.5 -7,-2.6 -2,-0.4 2,-0.4 -0.928 5.4-161.7-117.3 142.4 18.9 14.2 36.8 83 83 A Q E +MN 74 108C 91 25,-3.9 24,-3.2 -2,-0.4 25,-2.0 -0.967 24.1 148.9-128.1 136.9 17.5 13.8 40.4 84 84 A G E -MN 73 106C 4 -11,-2.5 -11,-1.7 -2,-0.4 2,-0.4 -0.896 39.6-107.4-151.5-177.6 17.7 16.5 43.0 85 85 A I E -MN 72 105C 63 20,-2.8 20,-1.4 -2,-0.3 2,-0.2 -0.996 31.5-120.3-127.2 131.6 16.2 18.2 46.1 86 86 A L E + N 0 104C 0 -15,-3.3 -17,-1.9 -2,-0.4 -16,-1.7 -0.428 40.4 158.3 -69.5 136.1 14.5 21.6 46.2 87 87 A G E -MN 68 103C 0 16,-2.1 16,-1.7 -19,-0.3 2,-0.3 -0.607 33.7-117.8-132.5-173.1 15.9 24.2 48.6 88 88 A Y E +MN 67 102C 74 -21,-0.7 -21,-1.5 14,-0.2 2,-0.3 -0.968 42.4 135.7-133.3 148.0 15.8 28.1 48.8 89 89 A D E - 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