==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-AUG-12 4GJB . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,F.ZINK,M.KROEMER . 670 6 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29485.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 468 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 202 30.1 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 . 10 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 . 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 . 81 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 4 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 2 9 8 6 9 4 1 0 0 0 1 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 3 1 3 0 1 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 -5 A L 0 0 197 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 93.8 -9.2 32.3 78.6 2 -4 A T - 0 0 94 2,-0.0 2,-0.5 149,-0.0 149,-0.1 -0.792 360.0-171.6-104.1 88.0 -8.1 32.7 74.9 3 -3 A L - 0 0 126 -2,-0.8 2,-1.4 147,-0.1 3,-0.3 -0.713 25.6-125.8 -80.7 121.8 -8.4 36.4 74.2 4 -2 A G S S+ 0 0 41 -2,-0.5 147,-0.2 1,-0.2 146,-0.1 -0.595 75.7 104.1 -76.7 86.5 -7.8 37.1 70.4 5 -1 A N + 0 0 124 -2,-1.4 2,-0.2 145,-1.0 146,-0.2 0.214 44.8 128.6-142.5 8.7 -5.0 39.7 70.2 6 0 A T B +a 151 0A 48 144,-2.2 146,-2.8 -3,-0.3 147,-0.3 -0.506 25.7 172.6 -78.5 138.1 -2.0 37.4 69.1 7 1 A T - 0 0 72 -2,-0.2 2,-0.4 144,-0.2 169,-0.2 -0.684 16.3-173.4-144.5 72.6 0.2 38.3 66.0 8 2 A S E -B 175 0B 15 167,-0.9 167,-2.5 -2,-0.1 2,-0.3 -0.629 6.9-157.2 -75.9 121.5 3.0 35.7 66.2 9 3 A S E -B 174 0B 57 -2,-0.4 2,-0.4 165,-0.2 165,-0.2 -0.769 8.3-156.1-106.5 148.7 5.9 36.3 63.6 10 4 A V E -B 173 0B 11 163,-2.8 163,-1.8 -2,-0.3 2,-0.3 -0.990 17.2-134.6-125.2 120.5 8.4 33.8 62.2 11 5 A I E -B 172 0B 99 -2,-0.4 12,-0.5 161,-0.2 2,-0.3 -0.558 25.7-148.9 -73.2 130.5 11.8 35.1 60.7 12 6 A L E -B 171 0B 3 159,-2.2 158,-1.2 -2,-0.3 159,-0.9 -0.737 5.9-133.4-106.3 155.3 12.6 33.5 57.4 13 7 A T E -G 21 0C 69 8,-2.1 8,-1.6 -2,-0.3 2,-0.7 -0.921 15.2-142.7-108.3 127.7 15.9 32.6 55.8 14 8 A N E -G 20 0C 19 -2,-0.5 2,-0.6 6,-0.2 6,-0.2 -0.843 17.1-175.3 -94.2 116.8 16.5 33.5 52.1 15 9 A Y E >> S-G 19 0C 79 4,-3.1 3,-2.3 -2,-0.7 4,-2.1 -0.964 71.9 -36.4-113.2 111.4 18.5 31.0 50.2 16 10 A M T 34 S- 0 0 112 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.594 100.3 -77.8 54.3 17.9 19.3 32.0 46.6 17 11 A D T 34 S+ 0 0 31 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.670 129.3 82.2 63.6 19.2 15.9 33.8 46.2 18 12 A T T <4 S+ 0 0 26 -3,-2.3 2,-0.4 1,-0.3 -2,-0.2 0.589 86.0 44.4-121.6 -26.2 14.5 30.2 45.7 19 13 A Q E < +G 15 0C 29 -4,-2.1 -4,-3.1 208,-0.1 2,-0.5 -0.989 54.9 179.0-133.9 121.2 14.0 28.9 49.3 20 14 A Y E +G 14 0C 6 -2,-0.4 17,-0.5 -6,-0.2 2,-0.4 -0.992 19.8 169.2-122.6 114.3 12.5 30.8 52.2 21 15 A Y E -G 13 0C 22 -8,-1.6 -8,-2.1 -2,-0.5 15,-0.2 -0.992 17.0-168.4-138.1 142.9 12.4 28.9 55.4 22 16 A G E -H 35 0D 5 13,-2.2 13,-3.2 -2,-0.4 2,-0.5 -0.611 30.3 -93.3-115.9 179.8 11.7 29.4 59.1 23 17 A E E +H 34 0D 117 -12,-0.5 75,-0.5 11,-0.2 2,-0.3 -0.843 33.9 177.3-102.9 129.0 12.0 27.4 62.3 24 18 A I E -H 33 0D 0 9,-2.5 9,-2.4 -2,-0.5 2,-0.4 -0.865 19.7-139.1-117.5 158.0 9.4 25.3 64.0 25 19 A G E -HI 32 96D 2 71,-2.4 71,-3.3 -2,-0.3 2,-0.5 -0.972 14.4-167.5-117.7 127.6 9.7 23.1 67.2 26 20 A I E > +HI 31 95D 0 5,-2.7 5,-2.6 -2,-0.4 69,-0.2 -0.980 46.8 0.1-118.9 127.9 8.1 19.6 67.5 27 21 A G T 5S- 0 0 4 67,-2.6 40,-0.1 -2,-0.5 66,-0.1 -0.252 90.1 -43.2 101.3 177.4 7.8 17.8 70.8 28 22 A T T 5S+ 0 0 59 1,-0.3 40,-2.4 2,-0.1 41,-0.2 -0.957 137.7 23.6-123.0 104.8 8.5 18.0 74.6 29 23 A P T 5S- 0 0 94 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 0.643 120.5-108.8 -70.3 159.5 11.3 19.2 74.8 30 24 A P T 5 - 0 0 85 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.382 22.5-153.2 -66.9 134.1 11.1 20.8 71.3 31 25 A Q E < -H 26 0D 36 -5,-2.6 -5,-2.7 -2,-0.1 2,-0.2 -0.933 25.5-132.8 -99.7 116.2 13.1 19.4 68.4 32 26 A T E -H 25 0D 77 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.538 25.6-177.6 -79.7 144.1 13.8 22.3 65.9 33 27 A F E -H 24 0D 4 -9,-2.4 -9,-2.5 -2,-0.2 2,-0.6 -0.994 29.6-126.2-139.1 143.2 13.3 22.0 62.1 34 28 A K E -H 23 0D 96 -2,-0.3 89,-2.7 -11,-0.2 90,-2.0 -0.811 43.4-177.4 -84.6 115.7 13.8 24.4 59.1 35 29 A V E -Hj 22 124D 0 -13,-3.2 -13,-2.2 -2,-0.6 2,-0.4 -0.924 28.9-134.9-121.4 152.3 10.5 24.4 57.3 36 30 A V E - j 0 125D 16 88,-1.6 90,-2.7 -2,-0.3 2,-0.8 -0.869 22.1-137.8-100.4 132.7 9.0 25.9 54.2 37 31 A F E - j 0 126D 4 -17,-0.5 2,-0.6 -2,-0.4 90,-0.2 -0.887 27.7-170.1 -98.8 104.9 5.6 27.5 54.7 38 32 A D E > - j 0 127D 13 88,-2.3 90,-3.2 -2,-0.8 3,-1.0 -0.898 28.1-174.7-110.9 113.4 3.6 26.4 51.6 39 33 A T T 3 S+ 0 0 0 -2,-0.6 159,-0.4 1,-0.2 91,-0.2 0.559 86.1 69.6 -76.1 -10.5 0.1 27.8 50.7 40 34 A G T 3 S+ 0 0 24 89,-0.1 2,-0.2 157,-0.1 -1,-0.2 0.536 105.7 34.6 -82.7 -13.1 0.1 25.3 47.8 41 35 A S < - 0 0 17 -3,-1.0 88,-2.5 85,-0.1 87,-0.4 -0.855 61.7-150.2-137.3 168.9 -0.2 22.2 50.2 42 36 A S + 0 0 2 91,-0.4 2,-0.3 -2,-0.2 99,-0.2 0.308 61.5 96.1-129.4 8.3 -1.9 21.4 53.6 43 37 A N - 0 0 10 90,-0.1 84,-0.7 97,-0.1 2,-0.4 -0.812 58.4-143.7-105.2 144.9 0.2 18.7 55.3 44 38 A V E +K 126 0D 4 61,-0.4 63,-2.4 -2,-0.3 2,-0.3 -0.860 32.2 162.6-100.0 134.6 2.9 19.2 57.9 45 39 A W E +Kl 125 107D 1 80,-2.1 80,-2.2 -2,-0.4 63,-0.2 -0.964 18.1 178.3-155.6 143.8 5.9 16.8 57.6 46 40 A V E - l 0 108D 0 61,-1.8 63,-2.6 -2,-0.3 78,-0.1 -0.915 44.7 -86.6-135.4 159.0 9.5 16.4 58.8 47 41 A P E - l 0 109D 0 0, 0.0 15,-2.9 0, 0.0 2,-0.2 -0.404 48.3-124.8 -67.6 148.5 12.1 13.6 58.2 48 42 A S B > -o 62 0E 0 61,-2.8 3,-1.2 13,-0.3 15,-0.2 -0.624 12.2-133.4 -93.5 153.7 11.9 10.7 60.7 49 43 A S T 3 S+ 0 0 40 13,-2.5 14,-0.1 1,-0.3 -1,-0.1 0.838 113.0 66.4 -67.3 -30.1 14.6 9.2 63.0 50 44 A K T 3 S+ 0 0 106 12,-0.4 2,-0.5 2,-0.1 -1,-0.3 0.174 77.3 126.1 -72.0 11.9 13.1 6.0 61.5 51 45 A a < 0 0 20 -3,-1.2 60,-0.1 58,-0.1 59,-0.1 -0.698 360.0 360.0 -84.5 126.9 14.4 7.0 58.0 52 46 A S 0 0 130 58,-0.7 4,-0.1 -2,-0.5 -2,-0.1 -0.573 360.0 360.0 -75.8 360.0 16.6 4.4 56.2 53 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 54 48 A T > 0 0 105 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -38.5 18.9 9.0 51.3 55 49 A A G > + 0 0 0 57,-1.9 3,-1.3 1,-0.2 4,-0.2 0.668 360.0 84.6 -74.4 -13.5 18.5 12.8 51.6 56 50 A a G > S+ 0 0 6 56,-0.4 3,-1.2 1,-0.3 -1,-0.2 0.749 77.5 64.2 -54.5 -33.9 17.8 12.0 55.3 57 51 A V G < S+ 0 0 125 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.830 102.3 50.0 -62.1 -34.6 21.6 12.0 56.0 58 52 A Y G < S+ 0 0 118 -3,-1.3 -1,-0.2 -4,-0.3 2,-0.2 0.462 108.2 63.5 -83.5 -4.5 21.6 15.7 55.1 59 53 A H S < S- 0 0 17 -3,-1.2 2,-0.3 -4,-0.2 64,-0.1 -0.775 86.1 -96.5-126.4 164.5 18.7 16.8 57.4 60 54 A K - 0 0 130 -2,-0.2 2,-0.3 -26,-0.1 -2,-0.1 -0.630 43.2-147.6 -77.2 134.4 17.5 17.0 61.0 61 55 A L - 0 0 65 -2,-0.3 2,-0.5 -15,-0.1 -13,-0.3 -0.845 8.6-125.0-108.5 143.7 15.4 14.0 61.9 62 56 A F B -o 48 0E 0 -15,-2.9 -13,-2.5 -2,-0.3 2,-0.7 -0.777 18.9-160.2 -87.3 126.3 12.5 13.8 64.4 63 57 A D > - 0 0 53 -2,-0.5 3,-1.8 -15,-0.2 4,-0.2 -0.903 7.2-167.8-110.8 105.9 12.9 11.2 67.2 64 58 A A G > S+ 0 0 7 -2,-0.7 3,-1.8 1,-0.3 6,-0.3 0.820 85.4 68.0 -56.7 -33.9 9.5 10.3 68.7 65 59 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 -3,-0.1 3,-0.0 0.377 96.2 53.4 -71.3 -0.5 11.3 8.5 71.5 66 60 A D G < S+ 0 0 100 -3,-1.8 2,-0.5 -37,-0.1 -1,-0.3 0.314 93.6 87.1-113.7 2.5 12.7 11.9 72.9 67 61 A S X - 0 0 13 -3,-1.8 3,-0.6 -4,-0.2 -40,-0.1 -0.923 52.9-170.1-111.2 119.7 9.2 13.5 73.1 68 62 A S T 3 S+ 0 0 100 -40,-2.4 -1,-0.1 -2,-0.5 -3,-0.0 0.687 91.2 53.9 -75.6 -19.8 7.1 13.0 76.2 69 63 A S T 3 S+ 0 0 16 -41,-0.2 -1,-0.2 25,-0.1 2,-0.1 0.446 81.1 124.3 -93.7 -3.8 4.0 14.6 74.4 70 64 A Y < - 0 0 53 -3,-0.6 2,-0.4 -6,-0.3 23,-0.2 -0.333 40.8-167.1 -62.3 135.5 4.2 12.1 71.4 71 65 A K E -M 92 0D 115 21,-2.5 21,-1.8 -2,-0.1 -2,-0.0 -0.997 20.2-128.0-127.0 121.6 1.0 10.1 70.5 72 66 A H E +M 91 0D 140 -2,-0.4 19,-0.2 19,-0.2 21,-0.0 -0.174 40.3 152.0 -59.9 154.0 1.4 7.2 68.1 73 67 A N E - 0 0 65 17,-0.6 18,-0.2 2,-0.0 -1,-0.2 0.179 22.7-166.6-145.5 -63.0 -0.8 6.8 65.0 74 68 A G E + 0 0 29 16,-2.8 2,-0.2 1,-0.3 17,-0.1 0.300 25.3 154.8 88.7 -8.1 1.2 4.9 62.4 75 69 A T E - 0 0 82 14,-0.1 15,-1.6 15,-0.1 -1,-0.3 -0.367 46.5-119.3 -58.7 120.6 -1.1 5.6 59.3 76 70 A E E -M 89 0D 177 13,-0.2 2,-0.3 -2,-0.2 13,-0.3 -0.268 36.7-173.7 -62.8 145.5 1.0 5.3 56.1 77 71 A L E -M 88 0D 14 11,-2.4 11,-2.7 2,-0.0 2,-0.4 -0.992 18.3-162.4-151.0 136.5 1.0 8.6 54.0 78 72 A T E -M 87 0D 45 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.997 8.1-166.5-130.3 125.8 2.4 9.7 50.6 79 73 A L E -M 86 0D 5 7,-2.1 7,-2.9 -2,-0.4 2,-0.5 -0.964 5.2-159.7-120.0 115.3 2.9 13.4 49.7 80 74 A R E +M 85 0D 128 -2,-0.5 5,-0.2 5,-0.2 2,-0.1 -0.898 14.6 170.5-105.4 123.5 3.4 14.4 46.1 81 75 A Y - 0 0 54 3,-2.0 -40,-0.0 -2,-0.5 0, 0.0 -0.253 48.2 -90.1-109.0-169.2 5.0 17.8 45.1 82 76 A S S S+ 0 0 57 1,-0.1 505,-0.9 -2,-0.1 506,-0.3 0.901 121.2 30.4 -78.2 -39.4 6.3 19.2 41.7 83 77 A T S S- 0 0 61 1,-0.2 2,-0.3 504,-0.1 505,-0.1 0.780 129.9 -16.8 -87.7 -34.1 9.9 18.0 41.9 84 78 A G - 0 0 6 32,-0.1 -3,-2.0 503,-0.0 2,-0.3 -0.984 58.1-109.1-165.6 171.6 9.5 14.8 43.9 85 79 A T E -M 80 0D 40 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.824 21.4-157.6-112.4 146.9 7.4 12.7 46.3 86 80 A V E -M 79 0D 1 -7,-2.9 -7,-2.1 -2,-0.3 2,-0.3 -0.849 6.4-161.4-120.5 159.3 7.8 11.8 50.0 87 81 A S E +MN 78 111D 16 24,-2.2 24,-2.7 -2,-0.3 23,-2.4 -1.000 28.2 104.6-142.9 145.1 6.6 8.9 52.1 88 82 A G E -MN 77 109D 6 -11,-2.7 -11,-2.4 -2,-0.3 2,-0.3 -0.859 52.0 -74.8-177.0-147.3 6.1 8.1 55.8 89 83 A F E -MN 76 108D 28 19,-2.3 19,-2.9 -13,-0.3 2,-0.3 -0.892 39.5 -95.5-136.5 168.8 3.5 7.7 58.5 90 84 A L E + N 0 107D 15 -15,-1.6 -16,-2.8 -2,-0.3 -17,-0.6 -0.592 39.7 163.8 -91.3 146.4 1.3 9.8 60.8 91 85 A S E -MN 72 106D 0 15,-2.1 15,-2.3 -2,-0.3 2,-0.4 -0.921 24.9-135.8-150.5 160.6 2.3 10.9 64.3 92 86 A Q E +MN 71 105D 57 -21,-1.8 -21,-2.5 -2,-0.3 2,-0.3 -0.992 34.9 136.6-128.2 136.9 0.9 13.5 66.7 93 87 A D E - N 0 104D 1 11,-2.2 11,-2.4 -2,-0.4 2,-0.5 -0.922 56.4 -73.1-159.4-178.2 2.8 15.9 68.9 94 88 A I E - 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