==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 04-AUG-10 3O9L . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.CORMINBOEUF,O.BEZENCON,C.GRISOSTOMI,L.REMEN,S.RICHARD-BILD . 670 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29717.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 68.2 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 . 200 29.9 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 1.3 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 . 73 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.1 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 . 7 1.0 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 1 1 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 10 7 4 7 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 2 2 2 2 0 2 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 4 A G 0 0 65 0, 0.0 149,-0.2 0, 0.0 148,-0.2 0.000 360.0 360.0 360.0 173.2 19.6 33.7 4.0 2 5 A N + 0 0 142 147,-0.7 148,-0.1 150,-0.0 149,-0.1 0.412 360.0 103.0-131.6 -7.8 17.0 35.4 6.2 3 6 A T B -a 150 0A 67 146,-1.4 148,-1.8 95,-0.0 2,-0.4 -0.403 49.3-157.1 -88.6 155.7 13.8 33.7 5.3 4 7 A T - 0 0 94 146,-0.2 2,-0.3 -2,-0.1 168,-0.2 -0.987 10.7-159.3-126.0 119.1 11.7 31.1 7.2 5 8 A S E +B 171 0B 6 166,-2.0 166,-3.9 -2,-0.4 2,-0.3 -0.768 13.2 179.4 -93.7 145.8 9.4 28.9 5.2 6 9 A S E -B 170 0B 57 -2,-0.3 2,-0.4 164,-0.3 164,-0.2 -0.993 12.2-158.0-146.3 147.8 6.5 27.1 7.0 7 10 A V E -B 169 0B 13 162,-2.2 162,-2.1 -2,-0.3 2,-0.1 -0.990 16.3-130.7-135.2 124.4 3.7 24.8 5.8 8 11 A I E -B 168 0B 98 -2,-0.4 12,-0.5 160,-0.2 2,-0.3 -0.420 25.5-149.1 -67.5 142.9 0.3 24.0 7.5 9 12 A L E -B 167 0B 5 158,-2.2 157,-0.9 10,-0.1 158,-0.7 -0.816 10.0-136.8-117.7 153.2 -0.8 20.4 7.9 10 13 A T E -G 18 0C 73 8,-2.7 8,-1.6 -2,-0.3 2,-0.8 -0.942 17.2-147.5-100.9 129.0 -4.0 18.5 8.0 11 14 A N E -G 17 0C 19 -2,-0.5 2,-1.1 6,-0.2 6,-0.2 -0.862 10.4-166.9 -97.0 103.6 -4.3 15.9 10.7 12 15 A Y E >> S-G 16 0C 75 4,-3.4 4,-2.0 -2,-0.8 3,-1.6 -0.801 70.1 -42.4 -91.2 97.3 -6.5 13.0 9.5 13 16 A M T 34 S- 0 0 117 -2,-1.1 -1,-0.2 1,-0.3 149,-0.1 0.746 99.2 -69.7 63.9 37.5 -7.3 10.9 12.5 14 17 A D T 34 S+ 0 0 28 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.480 130.7 76.3 55.9 7.2 -3.9 10.9 14.3 15 18 A T T <4 S+ 0 0 38 -3,-1.6 2,-0.5 1,-0.2 -2,-0.2 0.691 89.4 43.4-112.7 -31.5 -2.5 8.7 11.4 16 19 A Q E < +G 12 0C 28 -4,-2.0 -4,-3.4 207,-0.0 2,-0.5 -0.961 54.5 177.4-128.1 120.2 -2.0 10.9 8.4 17 20 A Y E +G 11 0C 8 -2,-0.5 2,-0.3 -6,-0.2 17,-0.2 -0.982 19.3 157.0-119.0 124.2 -0.5 14.4 8.4 18 21 A Y E -G 10 0C 17 -8,-1.6 -8,-2.7 -2,-0.5 2,-0.3 -0.957 19.2-164.5-144.6 158.5 -0.1 16.1 5.0 19 22 A G E -H 32 0D 5 13,-2.2 13,-2.4 -2,-0.3 2,-0.3 -0.896 29.7 -86.1-140.4 174.0 0.3 19.6 3.5 20 23 A E E +H 31 0D 127 -12,-0.5 77,-0.4 -2,-0.3 2,-0.3 -0.644 37.6 168.3 -91.2 137.1 0.0 21.4 0.1 21 24 A I E -H 30 0D 2 9,-2.0 9,-3.2 -2,-0.3 2,-0.4 -0.941 22.4-137.8-132.5 157.7 2.7 21.9 -2.6 22 25 A G E -HI 29 95D 3 73,-1.6 73,-2.3 -2,-0.3 2,-0.5 -0.958 10.1-160.0-120.1 134.8 2.5 23.1 -6.2 23 26 A I E > -HI 28 94D 0 5,-3.2 5,-2.1 -2,-0.4 71,-0.2 -0.956 48.6 -19.0-116.4 124.6 4.2 21.7 -9.3 24 27 A G T 5S- 0 0 7 69,-3.4 42,-0.1 -2,-0.5 68,-0.1 -0.341 91.9 -19.8 98.5-170.8 4.8 23.6 -12.6 25 28 A T T 5S+ 0 0 59 1,-0.2 42,-1.6 2,-0.1 43,-0.3 -0.996 136.0 16.4-124.1 122.5 3.5 26.6 -14.4 26 29 A P T 5S- 0 0 94 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.836 118.3-102.0 -62.7 170.7 0.9 27.5 -13.5 27 30 A P T 5 - 0 0 80 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.416 26.2-155.5 -66.4 128.6 1.1 25.4 -10.3 28 31 A Q E < -H 23 0D 37 -5,-2.1 -5,-3.2 -2,-0.2 2,-0.4 -0.933 26.9-134.7 -95.5 126.6 -0.8 22.1 -10.1 29 32 A T E -H 22 0D 73 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.692 25.2-177.7 -98.3 135.6 -1.4 21.5 -6.3 30 33 A F E -H 21 0D 5 -9,-3.2 -9,-2.0 -2,-0.4 2,-0.5 -0.897 27.0-128.5-127.6 151.9 -0.9 18.3 -4.4 31 34 A K E +H 20 0D 74 -2,-0.3 91,-2.2 -11,-0.2 92,-2.1 -0.889 41.9 171.6 -95.7 123.8 -1.4 16.9 -0.9 32 35 A V E -Hj 19 123D 0 -13,-2.4 -13,-2.2 -2,-0.5 2,-0.5 -0.972 35.0-127.9-135.9 151.3 1.8 15.2 0.3 33 36 A V E - j 0 124D 15 90,-1.6 92,-2.3 -2,-0.3 2,-0.7 -0.857 26.6-133.2 -91.7 129.0 3.5 13.7 3.4 34 37 A F E - j 0 125D 8 -2,-0.5 2,-0.6 -17,-0.2 92,-0.2 -0.765 28.7-161.5 -82.3 110.7 7.0 15.0 4.2 35 38 A D E > + j 0 126D 29 90,-3.0 92,-4.2 -2,-0.7 3,-1.1 -0.858 30.2 178.3-110.6 109.0 9.1 11.9 4.8 36 39 A T T 3 S+ 0 0 6 -2,-0.6 158,-0.5 1,-0.2 93,-0.2 0.593 87.4 66.3 -77.4 -10.2 12.4 11.8 6.6 37 40 A G T 3 S+ 0 0 35 91,-0.1 2,-0.3 156,-0.1 -1,-0.2 0.402 106.9 41.7 -86.0 1.9 12.4 8.1 6.1 38 41 A S < - 0 0 32 -3,-1.1 90,-2.3 87,-0.1 89,-0.5 -0.967 60.9-151.5-151.7 164.3 12.7 8.6 2.3 39 42 A S + 0 0 5 -2,-0.3 2,-0.3 87,-0.2 94,-0.2 0.346 62.4 81.4-124.9 2.1 14.6 10.7 -0.2 40 43 A N - 0 0 13 99,-0.1 86,-0.6 92,-0.1 2,-0.5 -0.831 65.9-127.5-115.1 150.1 12.5 11.1 -3.4 41 44 A V E -K 125 0D 4 63,-0.3 65,-2.9 -2,-0.3 2,-0.4 -0.858 33.9-179.4 -89.0 127.1 9.6 13.3 -4.6 42 45 A W E +Kl 124 106D 15 82,-2.4 82,-1.9 -2,-0.5 65,-0.2 -0.994 9.1 164.3-131.6 128.7 6.8 11.1 -6.0 43 46 A V E - l 0 107D 2 63,-2.3 65,-2.6 -2,-0.4 2,-0.2 -0.923 42.2 -95.5-132.2 159.9 3.4 12.3 -7.4 44 47 A P E - l 0 108D 3 0, 0.0 17,-2.8 0, 0.0 2,-0.2 -0.599 40.2-135.5 -77.7 145.2 0.8 10.5 -9.5 45 48 A S B > -o 61 0E 0 63,-2.0 3,-1.6 15,-0.3 17,-0.2 -0.588 18.7-124.6 -97.9 151.1 1.0 10.9 -13.4 46 49 A S T 3 S+ 0 0 44 15,-2.1 16,-0.1 1,-0.2 -1,-0.1 0.645 112.8 67.8 -63.4 -14.2 -1.7 11.6 -16.0 47 50 A K T 3 S+ 0 0 114 14,-0.2 2,-0.4 61,-0.1 -1,-0.2 0.570 72.7 108.4 -79.7 -11.0 -0.3 8.4 -17.6 48 51 A a S < S- 0 0 6 -3,-1.6 62,-0.1 60,-0.3 61,-0.1 -0.564 80.1-117.3 -68.1 119.1 -1.6 6.3 -14.6 49 52 A S > - 0 0 32 60,-0.6 3,-2.2 -2,-0.4 7,-0.3 -0.292 9.7-126.9 -59.2 143.1 -4.5 4.3 -16.0 50 53 A R T 3 S+ 0 0 173 1,-0.3 6,-0.2 5,-0.1 -1,-0.2 0.636 108.2 75.9 -61.8 -13.8 -7.9 5.1 -14.5 51 54 A L T 3 S+ 0 0 17 4,-0.1 2,-0.7 5,-0.0 -1,-0.3 0.473 75.8 86.1 -79.7 -3.4 -7.9 1.3 -14.0 52 55 A Y X> - 0 0 4 -3,-2.2 4,-2.3 1,-0.2 3,-1.1 -0.913 67.5-160.8 -95.1 118.3 -5.4 1.8 -11.1 53 56 A T H 3> S+ 0 0 23 -2,-0.7 4,-1.2 1,-0.3 -1,-0.2 0.920 87.9 64.1 -65.3 -44.5 -7.6 2.5 -8.0 54 57 A A H 34 S+ 0 0 0 57,-0.4 -1,-0.3 1,-0.2 65,-0.1 0.606 114.7 35.1 -56.6 -10.4 -4.7 4.1 -6.1 55 58 A a H X4 S+ 0 0 1 -3,-1.1 3,-3.5 -6,-0.2 -2,-0.2 0.809 99.9 70.2-105.6 -51.7 -4.7 6.8 -8.8 56 59 A V H 3< S+ 0 0 67 -4,-2.3 -2,-0.1 1,-0.3 -3,-0.1 0.757 106.2 42.3 -43.8 -37.0 -8.4 7.3 -9.9 57 60 A Y T 3< S+ 0 0 184 -4,-1.2 -1,-0.3 2,-0.1 2,-0.2 0.260 108.7 69.5 -99.0 10.4 -9.3 9.0 -6.6 58 61 A H S < S- 0 0 28 -3,-3.5 2,-0.2 -5,-0.1 64,-0.1 -0.714 91.9 -86.6-116.6 172.4 -6.1 11.1 -6.3 59 62 A K - 0 0 116 -2,-0.2 2,-0.4 -28,-0.1 -2,-0.1 -0.506 38.4-147.9 -76.3 149.7 -4.7 14.1 -8.2 60 63 A L - 0 0 64 -2,-0.2 2,-0.4 -17,-0.1 -15,-0.3 -0.966 8.8-131.6-124.2 135.8 -2.7 13.6 -11.3 61 64 A F B -o 45 0E 0 -17,-2.8 -15,-2.1 -2,-0.4 2,-0.6 -0.711 18.4-160.5 -82.5 127.9 0.2 15.8 -12.7 62 65 A D > - 0 0 45 -2,-0.4 3,-1.7 -17,-0.2 4,-0.2 -0.933 11.2-168.6-114.6 113.0 -0.1 16.6 -16.4 63 66 A A G > S+ 0 0 10 -2,-0.6 3,-1.4 1,-0.3 6,-0.2 0.768 87.2 68.5 -68.9 -23.7 3.1 17.7 -18.1 64 67 A S G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -3,-0.1 3,-0.0 0.505 97.5 52.1 -74.5 -8.9 1.0 18.8 -21.1 65 68 A D G < S+ 0 0 98 -3,-1.7 2,-0.5 1,-0.1 -1,-0.3 0.395 95.4 86.6-104.2 -0.6 -0.4 21.6 -18.9 66 69 A S X - 0 0 14 -3,-1.4 3,-0.6 -4,-0.2 -42,-0.1 -0.905 51.0-169.8-114.1 119.2 3.0 23.0 -17.8 67 70 A S T 3 S+ 0 0 104 -42,-1.6 -1,-0.1 -2,-0.5 -4,-0.0 0.570 90.4 51.3 -75.2 -11.0 5.1 25.5 -19.7 68 71 A S T 3 S+ 0 0 30 -43,-0.3 -1,-0.2 -42,-0.1 -44,-0.1 0.539 80.0 121.4-102.9 -8.1 8.2 24.9 -17.4 69 72 A Y < - 0 0 54 -3,-0.6 2,-0.5 -6,-0.2 23,-0.2 -0.196 43.7-160.0 -65.8 143.1 8.4 21.1 -17.6 70 73 A K E -M 91 0D 133 21,-2.2 21,-1.3 0, 0.0 -1,-0.1 -0.965 17.3-127.7-134.0 116.0 11.6 19.5 -18.8 71 74 A H E +M 90 0D 146 -2,-0.5 19,-0.1 19,-0.2 21,-0.0 -0.191 41.0 148.5 -66.7 143.9 11.6 15.9 -20.1 72 75 A N E - 0 0 66 17,-0.7 18,-0.2 2,-0.1 -1,-0.1 0.416 21.9-169.8-134.7 -59.4 13.9 13.1 -18.9 73 76 A G E + 0 0 27 16,-2.1 17,-0.1 1,-0.2 -2,-0.0 0.303 24.6 153.2 84.3 -9.8 12.1 9.8 -19.1 74 77 A T E - 0 0 84 14,-0.1 15,-2.3 1,-0.1 2,-0.3 -0.316 45.4-122.5 -51.8 131.2 14.6 7.6 -17.2 75 78 A E E -M 88 0D 158 13,-0.2 2,-0.3 31,-0.0 13,-0.2 -0.618 32.6-176.4 -86.6 139.5 12.6 4.7 -15.6 76 79 A L E -M 87 0D 12 11,-2.4 11,-1.5 -2,-0.3 2,-0.3 -0.991 6.6-159.3-142.3 146.7 12.8 4.2 -11.8 77 80 A T E -M 86 0D 43 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.881 8.8-168.6-130.0 149.5 11.4 1.6 -9.4 78 81 A L E -M 85 0D 55 7,-2.5 7,-3.1 -2,-0.3 2,-0.8 -0.990 18.3-140.9-138.7 132.9 10.6 1.2 -5.7 79 82 A R E +M 84 0D 140 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.817 20.9 179.6-102.7 107.2 9.7 -2.1 -4.0 80 83 A Y - 0 0 102 3,-1.8 3,-0.1 -2,-0.8 -2,-0.0 -0.429 40.4-111.4 -88.8 172.9 7.0 -2.1 -1.3 81 84 A S S S+ 0 0 117 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.853 117.1 46.1 -72.1 -35.8 5.9 -5.2 0.6 82 85 A T S S- 0 0 41 1,-0.1 2,-0.3 32,-0.1 -1,-0.2 0.542 130.2 -53.2 -87.0 -10.0 2.5 -5.2 -1.1 83 86 A G - 0 0 16 -3,-0.1 -3,-1.8 29,-0.1 2,-0.3 -0.980 70.0 -57.7 162.9-163.2 3.8 -4.7 -4.7 84 87 A T E -M 79 0D 18 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.871 29.4-151.5-117.1 145.9 6.0 -2.4 -6.9 85 88 A V E +M 78 0D 7 -7,-3.1 -7,-2.5 -2,-0.3 2,-0.3 -0.962 26.9 163.4-112.1 126.1 5.9 1.3 -7.6 86 89 A S E +MN 77 110D 19 24,-1.6 23,-2.3 -2,-0.5 24,-1.1 -0.976 9.3 126.6-142.9 161.5 7.2 2.6 -10.9 87 90 A G E -MN 76 108D 5 -11,-1.5 -11,-2.4 -2,-0.3 2,-0.3 -0.896 47.8 -83.2 179.2-160.7 7.2 5.7 -13.1 88 91 A F E -MN 75 107D 29 19,-1.4 19,-2.0 -2,-0.3 -13,-0.2 -0.870 37.6 -93.8-133.1 158.9 9.7 8.0 -14.8 89 92 A L E + N 0 106D 16 -15,-2.3 -16,-2.1 -2,-0.3 -17,-0.7 -0.469 41.6 170.6 -74.3 143.2 11.8 11.0 -14.0 90 93 A S E -MN 71 105D 0 15,-2.2 15,-2.6 -18,-0.2 2,-0.4 -0.950 21.8-142.4-141.8 158.8 10.6 14.5 -14.8 91 94 A Q E +MN 70 104D 61 -21,-1.3 -21,-2.2 -2,-0.3 2,-0.3 -0.978 33.3 139.8-120.3 136.7 11.8 18.0 -13.9 92 95 A D E - N 0 103D 2 11,-1.8 11,-1.9 -2,-0.4 2,-0.5 -0.964 54.7 -80.3-157.3 175.9 9.6 20.9 -13.1 93 96 A I E - 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