==== 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 22-MAY-07 2V16 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.RAHUEL,V.RASETTI,J.MAIBAUM,H.RUEGER,R.GOSCHKE,N.C.COHEN, . 664 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27993.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 452 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 203 30.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 75 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 5 1 0 1 0 1 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 . 4 0 6 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 . 4 6 10 6 5 4 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 1 1 1 3 0 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 C G 0 0 80 0, 0.0 149,-0.2 0, 0.0 148,-0.1 0.000 360.0 360.0 360.0-160.0 18.1 35.2 42.3 2 -1 C N + 0 0 133 147,-0.6 2,-0.4 146,-0.1 148,-0.2 -0.178 360.0 105.2-160.5 70.4 21.5 34.7 44.0 3 0 C T B -a 150 0A 48 146,-1.4 148,-2.3 170,-0.1 2,-0.4 -0.916 38.9-172.3-137.6 151.5 22.4 37.2 46.5 4 1 C T + 0 0 59 -2,-0.4 2,-0.3 146,-0.2 169,-0.2 -0.891 9.7 178.1-141.2 156.5 22.4 36.7 50.0 5 2 C S B -B 172 0B 18 167,-2.8 167,-4.4 -2,-0.4 2,-0.4 -0.987 14.5-166.5-158.9 161.9 22.9 39.2 52.7 6 3 C S - 0 0 47 165,-0.3 165,-0.2 -2,-0.3 2,-0.2 -0.995 15.8-144.8-144.2 136.2 23.1 40.0 56.4 7 4 C V - 0 0 15 -2,-0.4 163,-1.2 163,-0.4 2,-0.5 -0.579 25.3-133.3 -88.3 166.2 23.2 42.8 58.4 8 5 C I E -C 169 0B 96 -2,-0.2 12,-0.4 161,-0.2 2,-0.3 -0.972 25.5-151.1-115.3 128.7 25.3 42.4 61.6 9 6 C L E -C 168 0B 3 159,-0.7 158,-0.9 -2,-0.5 159,-0.6 -0.809 11.7-129.5-109.5 158.5 23.8 43.6 65.0 10 7 C T E -H 18 0C 75 8,-3.1 8,-0.9 -2,-0.3 2,-0.4 -0.749 20.0-142.0 -98.8 132.6 24.9 44.9 68.1 11 8 C N E -H 17 0C 15 -2,-0.5 2,-0.4 6,-0.2 6,-0.2 -0.919 15.1-168.9-100.5 122.4 23.6 43.3 71.3 12 9 C Y E >> S-H 16 0C 87 4,-2.2 3,-3.6 -2,-0.4 4,-2.5 -0.950 71.7 -33.5-115.5 108.5 22.8 45.7 74.3 13 10 C M T 34 S- 0 0 115 -2,-0.4 -1,-0.1 1,-0.4 4,-0.1 0.710 98.2 -81.6 53.0 27.7 22.2 44.1 77.5 14 11 C D T 34 S+ 0 0 18 2,-0.2 -1,-0.4 1,-0.1 3,-0.1 0.541 127.7 88.5 59.4 4.6 20.7 41.3 75.8 15 12 C T T <4 S+ 0 0 26 -3,-3.6 2,-0.3 1,-0.3 -2,-0.2 0.686 86.1 32.8-107.9 -11.1 17.8 43.7 75.8 16 13 C Q E < -H 12 0C 27 -4,-2.5 -4,-2.2 208,-0.1 2,-0.5 -0.883 60.8-171.9-149.0 118.7 18.2 45.6 72.7 17 14 C Y E +H 11 0C 4 -2,-0.3 17,-0.5 -6,-0.2 2,-0.2 -0.948 15.6 170.4-117.3 102.1 19.6 44.4 69.4 18 15 C Y E -H 10 0C 17 -8,-0.9 -8,-3.1 -2,-0.5 15,-0.3 -0.712 14.7-175.8-116.6 150.4 20.3 46.9 66.5 19 16 C G E -I 32 0D 2 13,-2.8 13,-3.4 -10,-0.3 2,-0.4 -0.716 31.0 -98.2-126.8-170.8 22.0 46.9 63.1 20 17 C E E +I 31 0D 100 -12,-0.4 77,-0.6 11,-0.2 2,-0.3 -0.880 30.4 173.6-118.1 139.5 22.6 49.8 60.6 21 18 C I E -IJ 30 96D 4 9,-1.7 9,-1.4 -2,-0.4 2,-0.4 -0.894 23.3-133.3-133.4 162.4 20.9 51.0 57.5 22 19 C G E -IJ 29 95D 7 73,-1.2 73,-1.2 -2,-0.3 2,-0.3 -0.981 14.1-166.3-123.6 111.1 21.6 54.2 55.4 23 20 C I E > +IJ 28 94D 0 5,-1.0 5,-1.4 -2,-0.4 71,-0.3 -0.670 50.7 9.5 -86.5 131.7 18.8 56.4 54.1 24 21 C G T 5S- 0 0 2 69,-2.7 68,-0.0 -2,-0.3 70,-0.0 0.564 87.9 -59.4 83.7 144.4 19.6 58.9 51.4 25 22 C T T 5S+ 0 0 59 1,-0.1 42,-0.6 2,-0.1 -1,-0.2 -0.579 130.6 29.6-103.3 83.1 21.9 60.0 49.0 26 23 C P T 5S- 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.044 118.0-112.3 -61.5 125.5 24.6 60.8 50.9 27 24 C P T 5 - 0 0 84 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.102 24.5-153.1 -51.8 143.4 23.7 58.3 53.3 28 25 C Q E < -I 23 0D 18 -5,-1.4 -5,-1.0 2,-0.0 2,-0.6 -0.916 25.6-134.0-108.4 127.8 22.6 59.3 56.8 29 26 C T E +I 22 0D 70 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.844 28.3 176.5-104.3 115.9 23.4 56.5 59.0 30 27 C F E -I 21 0D 0 -9,-1.4 -9,-1.7 -2,-0.6 2,-0.2 -0.865 25.2-133.2-116.6 149.3 21.0 55.2 61.5 31 28 C K E +I 20 0D 67 -2,-0.4 91,-1.7 -11,-0.2 92,-1.6 -0.602 35.1 178.0 -83.3 128.9 21.0 52.4 64.0 32 29 C V E -Ik 19 123D 0 -13,-3.4 -13,-2.8 -2,-0.2 2,-0.2 -0.976 34.4-125.8-147.0 151.4 17.8 50.2 64.0 33 30 C V E - k 0 124D 10 90,-1.2 92,-1.8 -2,-0.4 2,-0.8 -0.642 30.3-135.0 -81.9 136.2 16.1 47.2 65.5 34 31 C F E - k 0 125D 5 -17,-0.5 2,-0.5 -2,-0.2 92,-0.1 -0.909 32.0-166.4-103.3 107.1 14.8 44.8 62.8 35 32 C D E > - k 0 126D 13 90,-1.3 92,-3.2 -2,-0.8 3,-0.7 -0.873 34.1-177.5 -98.7 112.1 11.4 44.0 64.0 36 33 C T T 3 S+ 0 0 0 -2,-0.5 159,-0.3 91,-0.3 93,-0.1 0.358 80.5 78.4 -83.9 4.2 9.1 41.3 62.9 37 34 C G T 3 S+ 0 0 17 91,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.602 102.8 19.8 -90.0 -0.3 6.5 42.6 65.2 38 35 C S < - 0 0 13 -3,-0.7 90,-2.7 87,-0.1 89,-0.2 -0.961 63.1-133.4-156.1 171.4 5.4 45.5 62.8 39 36 C S + 0 0 1 93,-0.7 2,-0.3 -2,-0.3 101,-0.2 0.447 65.3 91.1-119.0 9.2 5.6 46.5 59.4 40 37 C N - 0 0 7 92,-0.2 86,-1.7 99,-0.1 2,-0.5 -0.727 55.4-140.9-106.8 151.3 6.7 50.1 59.1 41 38 C V E +L 125 0D 3 63,-0.3 65,-3.1 -2,-0.3 2,-0.3 -0.928 32.1 157.1-102.3 133.0 10.2 51.9 58.8 42 39 C W E +Lm 124 106D 2 82,-1.9 82,-1.1 -2,-0.5 65,-0.2 -0.974 15.5 177.3-148.4 158.9 10.8 55.2 60.7 43 40 C V E - m 0 107D 0 63,-1.8 65,-1.9 -2,-0.3 80,-0.1 -0.874 44.0 -81.2-148.8 163.8 13.7 57.1 61.9 44 41 C P E - m 0 108D 0 0, 0.0 17,-2.9 0, 0.0 2,-0.5 -0.249 45.2-129.5 -76.1 153.6 13.7 60.5 63.7 45 42 C S B > -p 61 0E 0 63,-2.1 3,-2.2 15,-0.3 17,-0.2 -0.883 16.7-138.4-112.0 149.6 13.5 63.9 61.9 46 43 C S T 3 S+ 0 0 39 15,-1.8 -1,-0.2 -2,-0.5 16,-0.1 0.829 109.3 64.8 -65.7 -42.7 15.2 66.7 61.9 47 44 C K T 3 S+ 0 0 158 14,-0.5 -1,-0.3 -3,-0.1 62,-0.1 0.838 80.4 112.1 -61.4 -15.9 12.0 68.4 61.8 48 45 C a S < S- 0 0 5 -3,-2.2 62,-0.1 60,-0.3 61,-0.1 -0.328 76.4-114.3 -57.3 133.8 11.3 66.8 65.4 49 46 C S - 0 0 28 60,-0.5 3,-0.5 1,-0.1 6,-0.3 -0.268 14.2-139.7 -62.3 146.3 11.3 69.4 68.1 50 47 C R S S+ 0 0 167 1,-0.2 -1,-0.1 5,-0.1 -2,-0.1 0.035 97.7 80.3-102.8 23.5 14.1 69.2 70.7 51 47AC L S S+ 0 0 148 1,-0.1 2,-0.5 4,-0.0 -1,-0.2 0.707 79.5 75.8 -97.0 -27.3 12.0 70.0 73.4 52 47BC Y S > S- 0 0 83 -3,-0.5 3,-1.0 1,-0.2 4,-0.3 -0.839 84.5-152.5 -66.7 110.3 11.2 66.0 72.9 53 48 C T G > S+ 0 0 71 -2,-0.5 3,-1.0 1,-0.2 4,-0.5 0.704 86.7 68.7 -70.7 -22.8 14.6 65.0 74.6 54 49 C A G >> S+ 0 0 0 57,-0.4 3,-1.0 1,-0.2 4,-0.8 0.883 95.6 55.8 -57.1 -28.0 14.8 61.8 72.8 55 50 C a G <4 S+ 0 0 4 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.743 101.8 57.1 -81.2 -12.8 15.4 63.8 69.6 56 51 C V G <4 S+ 0 0 75 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.595 111.4 44.5 -84.7 -18.5 18.3 65.5 71.1 57 52 C Y T <4 S+ 0 0 176 -3,-1.0 2,-0.3 -4,-0.5 -2,-0.2 0.440 106.2 57.7-104.5 -8.9 19.8 62.3 71.8 58 53 C H S < S- 0 0 24 -4,-0.8 2,-0.2 64,-0.0 64,-0.1 -0.855 89.8 -93.9-120.2 164.3 19.3 60.3 68.6 59 54 C K - 0 0 94 -2,-0.3 2,-0.2 -30,-0.1 -2,-0.1 -0.524 43.9-147.3 -68.8 141.7 20.5 61.0 65.0 60 55 C L - 0 0 48 -2,-0.2 2,-0.8 -17,-0.1 -15,-0.3 -0.677 11.0-117.9-108.8 153.1 17.9 62.8 62.8 61 56 C F B -p 45 0E 0 -17,-2.9 -15,-1.8 -2,-0.2 2,-0.6 -0.824 24.0-171.3 -96.9 123.9 17.1 62.7 59.2 62 57 C D - 0 0 53 -2,-0.8 3,-0.4 -17,-0.2 -17,-0.0 -0.952 1.5-174.9-106.0 114.6 17.5 65.9 57.3 63 58 C A S > S+ 0 0 11 -2,-0.6 3,-1.4 1,-0.2 2,-0.5 0.559 70.3 75.4 -96.5 0.9 16.3 65.5 54.0 64 59 C S T 3 S+ 0 0 100 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 0.026 95.5 58.0 -92.4 44.4 17.2 68.6 52.5 65 60 C D T 3 S+ 0 0 97 -2,-0.5 2,-0.4 -3,-0.4 -1,-0.3 0.137 88.0 93.5-155.9 16.6 20.6 67.2 52.3 66 61 C S < - 0 0 16 -3,-1.4 3,-0.4 1,-0.1 -1,-0.1 -0.998 57.9-162.5-130.3 115.5 19.5 64.4 50.4 67 62 C S S S+ 0 0 117 -42,-0.6 -1,-0.1 -2,-0.4 -4,-0.0 0.731 92.6 45.9 -57.1 -36.6 19.7 64.5 46.8 68 63 C S S S+ 0 0 28 25,-0.1 -1,-0.2 -3,-0.1 -44,-0.1 0.331 81.1 123.0-103.8 4.7 17.2 61.5 46.4 69 64 C Y - 0 0 62 -3,-0.4 2,-0.3 -6,-0.3 23,-0.2 0.175 43.1-158.8 -61.6 155.3 14.3 62.4 48.9 70 65 C K E -N 91 0D 111 21,-1.4 21,-1.8 0, 0.0 2,-0.1 -0.858 16.0-116.6-150.1 121.2 11.2 62.6 47.8 71 66 C H E +N 90 0D 140 -2,-0.3 19,-0.2 19,-0.2 21,-0.0 -0.387 42.8 146.1 -63.8 140.9 8.4 64.4 49.4 72 67 C N E - 0 0 80 17,-0.8 18,-0.2 -2,-0.1 -1,-0.1 0.219 21.2-170.2-132.2 -84.7 5.2 62.7 50.7 73 68 C G E + 0 0 32 16,-2.4 17,-0.1 1,-0.3 2,-0.1 0.321 27.7 139.8 110.3 -22.9 3.6 64.2 53.7 74 69 C T E - 0 0 79 14,-0.1 15,-2.2 15,-0.1 -1,-0.3 -0.404 51.1-119.6 -68.1 148.4 0.9 61.9 55.1 75 70 C E E -N 88 0D 161 13,-0.2 2,-0.3 -2,-0.1 13,-0.2 -0.406 31.1-175.0 -77.5 151.4 0.8 61.7 58.9 76 71 C L E -N 87 0D 15 11,-0.9 11,-2.9 -2,-0.1 2,-0.4 -0.923 13.3-161.4-161.5 132.3 1.3 58.6 60.4 77 72 C T E -N 86 0D 45 -2,-0.3 2,-0.6 9,-0.3 9,-0.2 -0.988 10.6-154.9-117.6 123.6 1.0 57.5 64.0 78 73 C L E -N 85 0D 9 7,-2.1 7,-1.1 -2,-0.4 2,-0.5 -0.901 7.7-167.3-106.4 117.4 2.6 54.2 65.2 79 74 C R E +N 84 0D 201 -2,-0.6 5,-0.2 5,-0.2 2,-0.2 -0.721 12.8 175.6 -98.0 130.2 1.3 52.5 68.2 80 75 C Y - 0 0 63 3,-1.1 3,-0.3 -2,-0.5 -42,-0.0 -0.679 47.9 -90.2-126.1-169.7 3.2 49.8 69.8 81 76 C S S S+ 0 0 57 1,-0.2 217,-0.2 -2,-0.2 -1,-0.1 0.852 125.5 18.6 -59.4 -37.9 3.1 47.4 72.9 82 77 C T S S- 0 0 96 1,-0.2 -1,-0.2 215,-0.1 2,-0.2 0.301 125.2 -2.3-134.8 26.8 4.9 50.0 74.5 83 78 C G - 0 0 19 -3,-0.3 -3,-1.1 -5,-0.1 2,-0.3 -0.631 53.5-123.6 159.7 157.1 5.0 53.6 73.1 84 79 C T E -N 79 0D 60 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.780 16.7-173.1-115.8 150.8 3.7 55.8 70.2 85 80 C V E -N 78 0D 0 -7,-1.1 -7,-2.1 -2,-0.3 2,-0.3 -0.987 9.8-164.5-137.8 144.4 5.8 57.7 67.9 86 81 C S E +NO 77 110D 18 24,-2.4 24,-1.5 -2,-0.4 23,-1.0 -0.946 27.5 117.2-131.0 160.6 4.0 60.0 65.4 87 82 C G E -NO 76 108D 2 -11,-2.9 -11,-0.9 -2,-0.3 2,-0.3 -0.841 49.2 -78.6 173.9-135.1 5.5 61.7 62.2 88 83 C F E -NO 75 107D 26 19,-1.7 19,-3.1 -2,-0.2 2,-0.3 -0.978 37.9 -92.1-163.3 160.8 5.1 61.8 58.4 89 84 C L E + O 0 106D 11 -15,-2.2 -16,-2.4 -2,-0.3 -17,-0.8 -0.554 39.9 157.9 -89.1 142.8 5.9 60.0 55.4 90 85 C S E -NO 71 105D 0 15,-3.2 15,-2.3 -2,-0.3 2,-0.4 -0.867 24.5-133.5-146.2 170.8 8.8 60.3 53.1 91 86 C Q E +NO 70 104D 48 -21,-1.8 -21,-1.4 13,-0.2 2,-0.2 -0.976 34.6 130.1-142.4 140.7 10.9 58.5 50.4 92 87 C D E - O 0 103D 0 11,-1.5 11,-2.0 -2,-0.4 2,-0.3 -0.784 60.1 -73.9-160.3 178.0 14.4 58.0 49.8 93 88 C I E - 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