==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAY-08 3D91 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.PRADE,O.BEZENCON,D.BUR,T.WELLER,W.FISCHLI,L.REMEN . 671 4 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 455 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 201 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 75 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 7.9 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 6 1 3 0 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 . 3 1 5 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 5 6 4 1 1 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 3 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 83 0, 0.0 148,-0.1 0, 0.0 147,-0.0 0.000 360.0 360.0 360.0 122.3 -19.1 34.9 -3.1 2 5 A N + 0 0 129 149,-0.0 2,-0.2 150,-0.0 148,-0.2 -0.330 360.0 146.0-122.7 49.8 -17.7 34.9 -6.6 3 6 A T B -a 150 0A 73 146,-2.7 148,-1.8 1,-0.0 149,-0.4 -0.610 30.7-173.9 -96.6 149.6 -14.4 33.5 -5.4 4 7 A T - 0 0 76 -2,-0.2 169,-0.2 146,-0.2 146,-0.1 -0.774 6.6-172.6-143.9 86.4 -12.1 31.1 -7.2 5 8 A S E -B 172 0B 22 167,-0.5 167,-2.0 -2,-0.3 2,-0.3 -0.283 8.1-156.0 -74.6 169.1 -9.0 29.8 -5.3 6 9 A S E -B 171 0B 54 165,-0.2 2,-0.5 167,-0.1 165,-0.2 -0.965 6.6-148.5-150.7 135.5 -6.3 27.7 -7.1 7 10 A V E -B 170 0B 8 163,-3.0 163,-2.0 -2,-0.3 2,-0.2 -0.914 15.9-138.4-110.9 122.4 -3.8 25.2 -5.7 8 11 A I E -B 169 0B 92 -2,-0.5 12,-0.5 161,-0.2 2,-0.3 -0.555 25.0-155.1 -75.9 138.4 -0.4 24.8 -7.5 9 12 A L E -B 168 0B 4 159,-2.6 158,-1.0 -2,-0.2 2,-0.6 -0.884 12.5-136.4-120.9 152.8 0.7 21.2 -7.8 10 13 A T E -G 18 0C 73 8,-2.7 8,-1.7 -2,-0.3 2,-0.6 -0.906 13.3-148.7-103.2 124.6 4.0 19.4 -8.2 11 14 A N E -G 17 0C 13 -2,-0.6 2,-0.6 151,-0.3 6,-0.2 -0.849 13.1-168.0 -85.9 122.2 4.3 16.5 -10.7 12 15 A Y E >> S-G 16 0C 81 4,-2.4 3,-1.7 -2,-0.6 4,-1.7 -0.960 70.7 -34.0-110.8 109.3 6.7 14.0 -9.5 13 16 A M T 34 S- 0 0 116 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.633 103.9 -77.4 57.7 20.6 7.7 11.4 -12.2 14 17 A D T 34 S+ 0 0 28 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.506 126.9 75.8 66.3 11.9 4.2 11.6 -13.7 15 18 A T T <4 S+ 0 0 41 -3,-1.7 2,-0.5 1,-0.2 -2,-0.2 0.625 86.0 55.1-122.5 -26.4 2.6 9.3 -10.9 16 19 A Q E < +G 12 0C 25 -4,-1.7 -4,-2.4 208,-0.1 2,-0.6 -0.948 54.4 177.1-117.0 122.4 2.4 11.6 -7.9 17 20 A Y E +G 11 0C 7 -2,-0.5 17,-0.5 -6,-0.2 2,-0.3 -0.920 20.4 160.1-126.1 100.0 0.5 14.9 -8.1 18 21 A Y E -G 10 0C 17 -8,-1.7 -8,-2.7 -2,-0.6 15,-0.2 -0.899 15.5-177.1-125.8 156.4 0.5 16.7 -4.7 19 22 A G E -H 32 0D 5 13,-2.5 13,-2.7 -2,-0.3 2,-0.3 -0.766 29.4 -83.9-141.6-177.3 -0.1 20.2 -3.4 20 23 A E E +H 31 0D 123 -12,-0.5 77,-0.4 11,-0.2 2,-0.3 -0.711 35.2 164.8-108.5 142.1 -0.1 22.2 -0.2 21 24 A I E -H 30 0D 6 9,-2.3 9,-2.3 -2,-0.3 2,-0.4 -0.880 23.3-139.0-137.8 170.7 -2.6 22.8 2.7 22 25 A G E -HI 29 95D 4 73,-2.0 73,-3.0 -2,-0.3 2,-0.4 -0.993 14.5-167.4-140.1 143.0 -2.2 24.1 6.2 23 26 A I E > +HI 28 94D 0 5,-1.8 5,-4.0 -2,-0.4 71,-0.2 -0.984 45.2 8.9-135.1 138.9 -3.8 22.9 9.2 24 27 A G T 5S- 0 0 4 69,-2.8 71,-0.1 -2,-0.4 42,-0.1 -0.193 91.4 -42.1 96.6 176.0 -4.1 24.4 12.7 25 28 A T T 5S+ 0 0 52 1,-0.2 42,-2.6 2,-0.1 43,-0.3 -0.985 134.8 23.6-128.0 124.7 -3.2 27.7 14.3 26 29 A P T 5S- 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.728 122.2 -99.2 -68.0 168.2 -0.6 28.8 13.4 27 30 A P T 5 - 0 0 90 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.276 29.1-157.3 -72.7 128.9 -0.8 26.7 10.2 28 31 A Q E < -H 23 0D 33 -5,-4.0 -5,-1.8 -2,-0.0 2,-0.3 -0.900 25.3-136.1 -96.8 121.2 1.1 23.4 9.9 29 32 A T E +H 22 0D 68 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.645 26.1 176.4 -98.6 142.9 1.7 22.7 6.2 30 33 A F E -H 21 0D 5 -9,-2.3 -9,-2.3 -2,-0.3 2,-0.4 -0.947 26.6-131.4-135.1 146.0 1.3 19.4 4.5 31 34 A K E +H 20 0D 69 -2,-0.3 92,-2.7 -11,-0.2 91,-2.2 -0.881 36.7 171.7 -96.1 138.3 1.5 18.1 0.9 32 35 A V E -Hj 19 123D 0 -13,-2.7 -13,-2.5 -2,-0.4 2,-0.4 -0.961 34.8-120.2-142.4 153.2 -1.4 16.0 -0.1 33 36 A V E - j 0 124D 17 90,-2.1 92,-2.6 -2,-0.3 2,-0.8 -0.796 27.9-131.0 -86.2 138.5 -2.9 14.3 -3.2 34 37 A F E - j 0 125D 4 -17,-0.5 2,-0.7 -2,-0.4 92,-0.2 -0.862 29.9-164.2 -87.7 109.7 -6.5 15.6 -4.1 35 38 A D E > - j 0 126D 10 90,-2.6 92,-4.0 -2,-0.8 3,-0.7 -0.837 25.4-177.8-102.9 108.3 -8.4 12.2 -4.6 36 39 A T T 3 S+ 0 0 5 -2,-0.7 159,-0.5 90,-0.2 93,-0.2 0.700 85.1 66.1 -70.5 -14.9 -11.7 12.2 -6.3 37 40 A G T 3 S+ 0 0 27 91,-0.1 2,-0.3 157,-0.1 -1,-0.2 0.530 105.7 39.6 -84.7 -5.7 -11.9 8.4 -5.6 38 41 A S < - 0 0 16 -3,-0.7 90,-1.9 87,-0.1 89,-0.7 -0.941 64.2-148.1-137.4 162.7 -12.1 8.8 -1.8 39 42 A S + 0 0 2 93,-0.5 2,-0.3 -2,-0.3 101,-0.1 0.288 63.9 84.9-114.9 6.0 -13.9 11.2 0.6 40 43 A N - 0 0 11 92,-0.1 86,-0.8 99,-0.1 2,-0.4 -0.743 58.1-141.4-109.6 158.9 -11.7 11.6 3.7 41 44 A V E +K 125 0D 5 63,-0.3 65,-3.2 -2,-0.3 2,-0.3 -0.972 28.8 154.1-108.8 141.3 -8.8 13.7 4.7 42 45 A W E -Kl 124 106D 0 82,-1.4 82,-1.5 -2,-0.4 65,-0.2 -0.992 17.3-177.8-153.8 165.0 -5.8 12.7 6.7 43 46 A V E - l 0 107D 0 63,-1.8 65,-2.8 -2,-0.3 80,-0.2 -0.950 47.4 -79.3-142.8 161.3 -2.2 13.4 7.4 44 47 A P E - l 0 108D 0 0, 0.0 17,-3.0 0, 0.0 2,-0.2 -0.421 49.4-135.3 -62.8 143.4 0.4 11.7 9.6 45 48 A S B > -o 61 0E 0 63,-2.5 3,-2.6 15,-0.3 17,-0.2 -0.648 21.1-115.2 -95.8 152.6 0.1 12.7 13.3 46 49 A S T 3 S+ 0 0 48 15,-3.7 16,-0.1 1,-0.3 -1,-0.1 0.702 116.8 65.1 -52.1 -14.2 2.7 13.6 15.9 47 50 A K T 3 + 0 0 118 14,-0.3 2,-0.6 61,-0.1 -1,-0.3 0.319 70.0 117.1 -96.7 3.9 1.5 10.3 17.5 48 51 A a S < S- 0 0 8 -3,-2.6 62,-0.1 60,-0.2 61,-0.1 -0.669 74.6-114.9 -77.4 117.8 2.7 8.1 14.7 49 52 A S > - 0 0 43 -2,-0.6 3,-2.1 60,-0.5 6,-0.2 -0.235 14.2-126.8 -53.5 138.3 5.4 5.8 16.1 50 53 A R T 3 S+ 0 0 165 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.469 102.7 81.5 -68.6 -0.2 8.8 6.3 14.6 51 54 A L T 3 S+ 0 0 24 4,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.753 73.5 86.7 -72.4 -24.0 8.9 2.6 13.9 52 55 A Y X> - 0 0 6 -3,-2.1 4,-1.3 1,-0.2 3,-1.1 -0.707 69.5-159.2 -75.2 108.0 6.8 3.5 10.8 53 56 A T H >> S+ 0 0 34 -2,-0.8 4,-1.3 1,-0.3 3,-0.9 0.928 94.2 56.7 -55.4 -47.0 9.4 4.4 8.2 54 57 A A H 3> S+ 0 0 0 57,-0.4 4,-1.0 1,-0.2 -1,-0.3 0.817 104.4 54.5 -49.9 -34.7 6.7 6.3 6.3 55 58 A a H <4 S+ 0 0 5 -3,-1.1 -1,-0.2 56,-0.3 -2,-0.2 0.786 104.3 52.1 -76.2 -28.5 6.2 8.3 9.5 56 59 A V H << S+ 0 0 87 -4,-1.3 -1,-0.2 -3,-0.9 -2,-0.2 0.721 112.3 45.9 -76.2 -24.4 9.9 9.3 9.8 57 60 A Y H < S+ 0 0 144 -4,-1.3 -2,-0.2 -3,-0.1 2,-0.2 0.692 107.1 65.4 -92.8 -19.3 10.0 10.7 6.2 58 61 A H S < S- 0 0 16 -4,-1.0 2,-0.3 -5,-0.2 64,-0.1 -0.513 88.2 -97.2-106.4 169.7 6.8 12.6 6.3 59 62 A K - 0 0 121 -2,-0.2 2,-0.4 -28,-0.1 -1,-0.1 -0.637 36.0-138.3 -92.2 143.3 5.6 15.6 8.1 60 63 A L - 0 0 62 -2,-0.3 2,-0.5 -17,-0.1 -15,-0.3 -0.851 6.2-131.1-108.7 132.3 3.5 15.3 11.2 61 64 A F B -o 45 0E 0 -17,-3.0 -15,-3.7 -2,-0.4 2,-0.6 -0.699 21.9-158.9 -70.8 125.1 0.5 17.2 12.5 62 65 A D > - 0 0 34 -2,-0.5 3,-1.5 -17,-0.2 4,-0.1 -0.917 13.5-172.3-114.9 105.0 1.0 18.3 16.1 63 66 A A G > S+ 0 0 8 -2,-0.6 3,-2.2 1,-0.3 6,-0.2 0.873 86.4 65.1 -56.0 -41.7 -2.3 19.1 18.0 64 67 A S G 3 S+ 0 0 96 1,-0.3 -1,-0.3 3,-0.0 3,-0.0 0.487 100.9 51.9 -66.5 2.1 -0.3 20.4 20.9 65 68 A D G < S+ 0 0 103 -3,-1.5 2,-0.4 -39,-0.0 -1,-0.3 0.388 96.0 86.1-113.5 9.5 1.0 23.2 18.6 66 69 A S < - 0 0 17 -3,-2.2 -42,-0.1 1,-0.1 3,-0.1 -0.920 48.7-174.0-131.8 119.1 -2.4 24.3 17.4 67 70 A S S S+ 0 0 102 -42,-2.6 -1,-0.1 -2,-0.4 -4,-0.0 0.447 90.9 58.5 -99.6 -1.5 -4.7 26.7 19.2 68 71 A S S S+ 0 0 22 -43,-0.3 -1,-0.2 -42,-0.1 2,-0.1 0.561 80.8 125.5 -94.8 -16.0 -7.6 26.0 16.7 69 72 A Y - 0 0 62 -6,-0.2 2,-0.4 -44,-0.2 23,-0.2 -0.230 37.9-173.7 -50.2 117.7 -7.5 22.3 17.7 70 73 A K E -M 91 0D 133 21,-2.6 21,-2.7 -2,-0.1 2,-0.2 -0.964 24.8-124.2-112.3 132.6 -10.8 20.7 18.8 71 74 A H E +M 90 0D 138 -2,-0.4 19,-0.2 19,-0.2 18,-0.0 -0.462 41.8 151.6 -77.8 134.5 -10.6 17.0 20.1 72 75 A N E - 0 0 58 17,-0.8 18,-0.2 -2,-0.2 -1,-0.2 0.623 21.1-168.2-119.4 -65.1 -12.6 14.2 18.7 73 76 A G E + 0 0 34 16,-2.7 2,-0.3 1,-0.3 17,-0.1 0.411 27.2 149.1 97.6 3.4 -10.7 10.8 19.1 74 77 A T E - 0 0 79 15,-0.2 15,-2.1 1,-0.1 -1,-0.3 -0.581 42.7-127.3 -80.2 128.5 -12.7 8.4 17.0 75 78 A E E +M 88 0D 125 -2,-0.3 2,-0.3 13,-0.2 13,-0.3 -0.315 31.5 176.5 -70.5 152.0 -10.7 5.6 15.4 76 79 A L E -M 87 0D 19 11,-1.8 11,-1.3 -2,-0.0 2,-0.4 -0.992 24.7-151.8-153.6 158.2 -10.8 4.9 11.7 77 80 A T E -M 86 0D 23 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.998 13.8-161.0-126.1 132.4 -9.3 2.7 9.0 78 81 A L E -M 85 0D 5 7,-3.1 7,-2.0 -2,-0.4 2,-0.6 -0.955 6.4-163.0-120.7 119.9 -9.1 3.9 5.5 79 82 A R E -M 84 0D 158 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.863 8.8-178.8-111.0 119.8 -8.6 1.3 2.8 80 83 A Y E > -M 83 0D 50 3,-2.5 3,-0.6 -2,-0.6 -42,-0.0 -0.710 44.9-107.0-111.8 163.5 -7.4 2.3 -0.7 81 84 A S T 3 S+ 0 0 89 1,-0.3 2,-0.5 -2,-0.3 -1,-0.1 0.882 122.1 30.8 -54.9 -39.1 -6.9 0.1 -3.7 82 85 A T T 3 S- 0 0 90 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 -0.854 128.7 -11.2-121.1 92.1 -3.2 0.6 -2.9 83 86 A G E < -M 80 0D 16 -3,-0.6 -3,-2.5 -2,-0.5 2,-0.3 0.179 57.2-134.6 109.7 150.9 -2.6 1.0 0.8 84 87 A T E -M 79 0D 33 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.904 11.6-166.2-136.2 169.3 -4.4 1.6 4.0 85 88 A V E -M 78 0D 1 -7,-2.0 -7,-3.1 -2,-0.3 2,-0.4 -0.998 5.7-163.7-157.2 142.2 -4.2 3.6 7.1 86 89 A S E +MN 77 110D 6 24,-1.4 24,-2.3 -2,-0.4 23,-1.9 -0.996 31.6 120.7-131.4 141.7 -5.6 3.9 10.6 87 90 A G E -MN 76 108D 8 -11,-1.3 -11,-1.8 -2,-0.4 2,-0.3 -0.623 52.7 -85.4-157.5-135.6 -5.5 6.8 13.0 88 91 A F E -MN 75 107D 33 19,-1.0 19,-3.7 -13,-0.3 -13,-0.2 -0.967 38.7 -91.7-155.5 154.4 -8.1 8.9 14.8 89 92 A L E + N 0 106D 11 -15,-2.1 -16,-2.7 -2,-0.3 -17,-0.8 -0.470 37.1 173.1 -83.3 144.2 -10.3 12.0 14.2 90 93 A S E -MN 71 105D 0 15,-2.4 15,-2.2 -18,-0.2 2,-0.5 -0.974 23.0-138.1-140.6 147.8 -9.4 15.6 15.0 91 94 A Q E +MN 70 104D 56 -21,-2.7 -21,-2.6 -2,-0.3 2,-0.3 -0.945 37.4 146.6-105.9 130.2 -11.1 18.9 14.2 92 95 A D E - 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