==== 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 4GJ5 . COMPND 2 MOLECULE: RENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.OSTERMANN,F.ZINK,M.KROEMER . 663 6 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 465 70.1 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 . 208 31.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 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 . 69 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 8.0 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 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 . 4 6 6 5 7 6 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 . 0 2 1 1 2 0 1 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 -5 A L 0 0 205 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.8 -9.6 32.0 83.6 2 -4 A T - 0 0 80 2,-0.0 2,-0.4 146,-0.0 148,-0.1 -0.930 360.0-166.4-114.8 126.9 -8.8 32.2 79.9 3 -3 A L - 0 0 119 -2,-0.5 2,-1.8 147,-0.1 3,-0.3 -0.879 28.7-124.0-108.3 144.7 -9.0 35.4 77.8 4 -2 A G S S+ 0 0 46 -2,-0.4 147,-0.2 1,-0.2 146,-0.2 -0.565 80.3 105.3 -83.6 70.7 -8.9 35.4 74.0 5 -1 A N + 0 0 119 -2,-1.8 2,-0.4 145,-1.0 146,-0.2 0.185 41.5 114.8-137.6 17.9 -5.9 37.8 73.9 6 0 A T B +a 151 0A 59 144,-3.1 146,-2.3 -3,-0.3 2,-0.4 -0.819 28.8 174.6-102.7 133.6 -2.7 35.8 72.9 7 1 A T - 0 0 70 -2,-0.4 2,-0.5 144,-0.2 166,-0.2 -0.979 18.0-167.3-126.8 111.1 -0.6 36.2 69.8 8 2 A S E -B 172 0B 14 164,-2.1 164,-2.8 -2,-0.4 2,-0.3 -0.914 7.0-150.0-108.5 125.8 2.5 34.0 70.0 9 3 A S E -B 171 0B 61 -2,-0.5 2,-0.5 162,-0.2 162,-0.2 -0.740 5.2-162.8 -94.6 138.2 5.5 34.3 67.6 10 4 A V E -B 170 0B 10 160,-2.7 160,-2.5 -2,-0.3 2,-0.3 -0.989 17.7-135.9-121.0 117.7 7.7 31.3 66.7 11 5 A I E -B 169 0B 124 -2,-0.5 12,-0.4 158,-0.2 2,-0.3 -0.558 21.7-152.8 -73.9 129.5 11.1 32.1 65.1 12 6 A L E -B 168 0B 2 156,-3.0 156,-1.1 -2,-0.3 155,-0.8 -0.819 8.4-138.0-108.6 150.5 12.0 29.9 62.1 13 7 A T E -G 21 0C 68 8,-3.3 8,-2.3 -2,-0.3 2,-0.7 -0.845 16.4-143.1 -99.4 133.7 15.4 28.9 60.7 14 8 A N E -G 20 0C 15 -2,-0.4 2,-0.7 6,-0.2 6,-0.2 -0.907 11.6-165.3-103.3 110.4 15.7 29.0 56.9 15 9 A Y E >> S-G 19 0C 77 4,-3.3 3,-2.0 -2,-0.7 4,-1.9 -0.859 71.3 -41.1 -95.9 107.9 17.8 26.1 55.6 16 10 A M T 34 S- 0 0 111 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.655 101.0 -72.3 49.1 29.1 18.8 26.9 51.9 17 11 A D T 34 S+ 0 0 26 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.513 129.4 79.7 66.4 9.4 15.3 28.3 50.9 18 12 A T T <4 S+ 0 0 33 -3,-2.0 2,-0.4 1,-0.3 -2,-0.2 0.623 87.8 43.7-116.0 -25.7 13.9 24.7 51.0 19 13 A Q E < -G 15 0C 24 -4,-1.9 -4,-3.3 205,-0.1 2,-0.5 -0.981 56.1-175.5-132.2 121.4 13.3 24.0 54.8 20 14 A Y E +G 14 0C 7 -2,-0.4 17,-0.5 -6,-0.2 2,-0.4 -0.968 21.2 170.4-114.0 112.5 11.8 26.4 57.3 21 15 A Y E -GH 13 36C 18 -8,-2.3 -8,-3.3 -2,-0.5 15,-0.2 -0.968 15.7-179.4-134.8 148.3 11.8 25.1 60.8 22 16 A G E - H 0 35C 6 13,-2.3 13,-3.2 -2,-0.4 2,-0.3 -0.679 31.7 -89.2-127.1-177.3 11.2 26.2 64.4 23 17 A E E + H 0 34C 118 -12,-0.4 75,-0.5 11,-0.2 2,-0.3 -0.776 31.3 176.7-107.8 141.6 11.3 24.7 67.9 24 18 A I E - H 0 33C 1 9,-1.9 9,-2.6 -2,-0.3 2,-0.4 -0.930 21.6-135.9-132.0 154.6 8.7 22.9 70.0 25 19 A G E -IH 96 32C 3 71,-2.1 71,-2.6 -2,-0.3 2,-0.4 -0.962 16.7-167.4-114.3 129.9 9.0 21.4 73.5 26 20 A I E > -IH 95 31C 0 5,-2.6 5,-2.9 -2,-0.4 69,-0.2 -0.985 47.1 -10.0-119.7 130.6 7.5 17.9 74.3 27 21 A G T 5S- 0 0 6 67,-2.3 40,-0.1 -2,-0.4 66,-0.1 -0.257 92.5 -33.7 89.5-173.3 7.2 16.5 77.8 28 22 A T T 5S+ 0 0 59 1,-0.2 40,-2.0 2,-0.1 41,-0.2 -0.964 136.2 21.8-131.7 112.6 8.2 17.4 81.4 29 23 A P T 5S- 0 0 97 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.656 121.0-103.3 -66.8 161.4 11.0 18.7 81.5 30 24 A P T 5 - 0 0 82 0, 0.0 2,-0.6 0, 0.0 -3,-0.2 -0.328 25.4-152.1 -67.1 133.3 10.6 19.7 77.8 31 25 A Q E < -H 26 0C 34 -5,-2.9 -5,-2.6 -2,-0.1 2,-0.3 -0.907 23.7-136.3 -98.8 117.1 12.4 17.8 75.0 32 26 A T E -H 25 0C 71 -2,-0.6 2,-0.3 -7,-0.2 -7,-0.2 -0.634 22.9-175.9 -85.9 137.2 13.1 20.3 72.2 33 27 A F E -H 24 0C 3 -9,-2.6 -9,-1.9 -2,-0.3 2,-0.5 -0.971 27.4-129.1-130.3 144.8 12.6 19.4 68.5 34 28 A K E -H 23 0C 92 -2,-0.3 89,-2.5 -11,-0.2 90,-2.1 -0.822 43.0-178.8 -89.0 123.3 13.2 21.3 65.2 35 29 A V E -Hj 22 124C 0 -13,-3.2 -13,-2.3 -2,-0.5 2,-0.4 -0.977 32.7-131.7-131.8 149.8 9.9 21.0 63.3 36 30 A V E -Hj 21 125C 10 88,-1.7 90,-3.1 -2,-0.3 2,-0.9 -0.805 25.0-138.0 -93.2 129.0 8.4 22.1 59.9 37 31 A F E - j 0 126C 3 -17,-0.5 2,-0.6 -2,-0.4 90,-0.2 -0.869 30.7-167.4 -91.9 103.7 4.9 23.7 60.5 38 32 A D E > - j 0 127C 22 88,-2.5 90,-3.5 -2,-0.9 3,-1.2 -0.882 32.0-175.3-111.0 114.6 3.0 22.1 57.7 39 33 A T T 3 S+ 0 0 4 -2,-0.6 156,-0.5 1,-0.2 91,-0.2 0.575 87.7 66.5 -74.0 -14.5 -0.4 23.2 56.3 40 34 A G T 3 S+ 0 0 12 89,-0.1 2,-0.3 154,-0.1 -1,-0.2 0.325 104.2 44.8 -86.8 0.2 -0.4 20.2 53.9 41 35 A S < - 0 0 5 -3,-1.2 88,-2.9 85,-0.1 87,-0.3 -0.937 61.3-155.6-140.9 161.6 -0.6 17.6 56.9 42 36 A S + 0 0 1 91,-0.4 2,-0.3 -2,-0.3 92,-0.2 0.354 63.5 85.3-123.8 5.5 -2.7 17.3 60.1 43 37 A N - 0 0 7 90,-0.1 84,-1.2 97,-0.1 2,-0.4 -0.809 64.4-136.0-111.5 150.2 -0.6 15.2 62.5 44 38 A V E +K 126 0C 2 61,-0.4 63,-3.1 -2,-0.3 2,-0.3 -0.863 34.5 165.8 -99.5 134.3 2.2 16.0 64.9 45 39 A W E +Kl 125 107C 14 80,-2.2 80,-1.8 -2,-0.4 63,-0.2 -0.986 16.4 176.4-149.6 146.8 5.2 13.6 64.8 46 40 A V E - l 0 108C 0 61,-2.2 63,-2.9 -2,-0.3 78,-0.1 -0.944 45.8 -88.1-138.4 153.6 8.8 13.5 66.1 47 41 A P E - l 0 109C 0 0, 0.0 15,-2.9 0, 0.0 2,-0.2 -0.416 48.5-129.6 -64.1 143.3 11.4 10.6 65.9 48 42 A S B > -o 62 0D 0 61,-3.4 3,-1.7 13,-0.3 15,-0.2 -0.675 13.2-128.3 -94.6 153.2 11.1 8.2 68.9 49 43 A S T 3 S+ 0 0 38 13,-2.7 14,-0.1 1,-0.3 -1,-0.1 0.791 113.6 65.7 -63.7 -26.3 13.9 6.9 71.2 50 44 A K T 3 S+ 0 0 112 12,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.424 77.9 122.8 -73.1 -4.8 12.3 3.5 70.2 51 45 A a < 0 0 13 -3,-1.7 60,-0.1 58,-0.2 59,-0.1 -0.480 360.0 360.0 -66.9 137.2 13.5 4.1 66.6 52 46 A S 0 0 132 58,-0.9 -1,-0.2 -2,-0.2 -2,-0.1 0.405 360.0 360.0 -7.7 360.0 15.8 1.4 65.0 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 0 103 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -54.5 18.4 5.0 59.4 55 49 A A G > + 0 0 0 57,-1.4 3,-1.2 1,-0.2 4,-0.4 0.649 360.0 81.4 -79.8 -17.1 17.7 8.8 59.6 56 50 A a G > S+ 0 0 7 56,-0.3 3,-0.5 1,-0.2 -1,-0.2 0.721 82.6 62.3 -59.7 -25.2 17.0 8.4 63.4 57 51 A V G < S+ 0 0 112 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.800 104.9 46.6 -70.8 -30.5 20.8 8.5 64.1 58 52 A Y G < S+ 0 0 145 -3,-1.2 2,-0.2 -4,-0.2 -1,-0.2 0.407 108.9 62.4 -95.4 0.5 21.0 12.1 62.7 59 53 A H S < S- 0 0 20 -3,-0.5 2,-0.2 -4,-0.4 64,-0.1 -0.722 89.0 -93.4-123.2 167.8 18.0 13.6 64.5 60 54 A K - 0 0 132 -2,-0.2 2,-0.4 -26,-0.1 -2,-0.1 -0.596 41.6-145.7 -78.8 145.8 16.8 14.3 68.1 61 55 A L - 0 0 61 -2,-0.2 2,-0.4 -15,-0.1 -13,-0.3 -0.950 9.8-124.2-121.0 134.7 14.6 11.5 69.6 62 56 A F B -o 48 0D 0 -15,-2.9 -13,-2.7 -2,-0.4 2,-0.7 -0.653 21.6-161.1 -76.7 128.0 11.7 11.7 72.0 63 57 A D > - 0 0 46 -2,-0.4 3,-1.5 -15,-0.2 4,-0.1 -0.920 9.5-169.2-114.1 103.4 12.2 9.6 75.2 64 58 A A G > S+ 0 0 4 -2,-0.7 3,-1.6 1,-0.2 6,-0.3 0.788 85.1 66.7 -57.4 -30.9 8.9 9.0 76.9 65 59 A S G 3 S+ 0 0 99 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.591 97.5 53.1 -71.6 -9.9 10.9 7.6 80.0 66 60 A D G < S+ 0 0 97 -3,-1.5 2,-0.5 -37,-0.0 -1,-0.3 0.303 96.5 86.0-102.7 4.1 12.3 11.1 80.7 67 61 A S < - 0 0 13 -3,-1.6 3,-0.5 1,-0.1 -40,-0.1 -0.935 50.6-173.0-116.8 120.3 8.8 12.7 80.7 68 62 A S S S+ 0 0 100 -40,-2.0 -1,-0.1 -2,-0.5 -4,-0.0 0.742 90.9 54.4 -74.9 -24.4 6.5 12.8 83.8 69 63 A S S S+ 0 0 22 -41,-0.2 -1,-0.2 25,-0.1 -42,-0.1 0.512 81.7 120.9 -89.3 -7.6 3.6 14.2 81.8 70 64 A Y - 0 0 53 -3,-0.5 2,-0.4 -6,-0.3 23,-0.2 -0.274 43.4-164.7 -58.2 139.1 3.6 11.3 79.2 71 65 A K E -M 92 0C 127 21,-2.6 21,-2.3 -2,-0.0 2,-0.1 -0.998 20.6-128.2-129.1 118.3 0.5 9.2 78.7 72 66 A H E +M 91 0C 142 -2,-0.4 19,-0.2 19,-0.2 21,-0.0 -0.354 40.7 152.3 -64.5 145.8 0.9 5.8 76.8 73 67 A N E - 0 0 62 17,-0.7 18,-0.2 -2,-0.1 -1,-0.2 0.359 20.2-170.5-133.8 -67.7 -1.3 5.0 73.8 74 68 A G E + 0 0 30 16,-3.0 17,-0.1 1,-0.3 3,-0.1 0.223 24.8 152.1 92.6 -12.2 0.6 2.7 71.5 75 69 A T E - 0 0 82 15,-0.2 15,-2.3 14,-0.1 -1,-0.3 -0.322 52.3-109.5 -53.8 130.4 -1.8 2.7 68.5 76 70 A E E -M 89 0C 152 13,-0.2 2,-0.4 31,-0.1 13,-0.3 -0.346 38.2-167.0 -63.2 138.1 0.1 2.1 65.2 77 71 A L E -M 88 0C 7 11,-3.1 11,-2.6 31,-0.1 2,-0.4 -0.999 12.9-175.2-137.8 130.1 0.3 5.2 62.9 78 72 A T E -M 87 0C 78 -2,-0.4 2,-0.6 9,-0.2 9,-0.2 -0.995 5.4-166.7-127.7 124.6 1.4 5.5 59.3 79 73 A L E -M 86 0C 5 7,-2.5 7,-1.9 -2,-0.4 2,-0.5 -0.955 11.0-172.4-113.9 109.8 1.7 8.9 57.5 80 74 A R E +M 85 0C 111 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.936 12.9 156.9-111.3 125.8 2.0 8.5 53.8 81 75 A Y - 0 0 85 3,-1.7 3,-0.1 -2,-0.5 -40,-0.0 -0.914 54.9-107.3-138.3 165.6 2.7 11.5 51.5 82 76 A S S S+ 0 0 20 -2,-0.3 498,-2.2 1,-0.2 3,-0.1 0.811 122.4 49.5 -61.5 -30.7 4.2 12.2 48.0 83 77 A T S S- 0 0 76 1,-0.3 2,-0.3 496,-0.2 -1,-0.2 0.791 127.9 -49.6 -77.3 -34.8 7.3 13.6 49.8 84 78 A G - 0 0 18 -3,-0.1 -3,-1.7 32,-0.1 2,-0.4 -0.968 45.5-107.2 171.4 171.8 7.7 10.6 52.1 85 79 A T E -M 80 0C 49 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.993 24.0-178.5-129.3 127.2 6.4 8.0 54.5 86 80 A V E -M 79 0C 5 -7,-1.9 -7,-2.5 -2,-0.4 2,-0.3 -0.873 7.4-165.0-117.8 155.2 7.0 7.7 58.3 87 81 A S E +MN 78 111C 19 24,-1.7 24,-2.1 -2,-0.3 23,-1.8 -0.974 27.6 105.5-140.6 151.8 5.6 5.1 60.7 88 82 A G E -MN 77 109C 0 -11,-2.6 -11,-3.1 -2,-0.3 2,-0.3 -0.904 54.2 -67.4 176.8-147.1 5.3 4.7 64.4 89 83 A F E -MN 76 108C 31 19,-2.0 19,-3.1 -13,-0.3 2,-0.3 -0.927 41.1 -97.7-137.3 162.0 2.9 4.8 67.3 90 84 A L E + N 0 107C 12 -15,-2.3 -16,-3.0 -2,-0.3 -17,-0.7 -0.607 38.5 169.2 -84.7 140.8 0.7 7.3 69.2 91 85 A S E -MN 72 106C 0 15,-2.7 15,-3.4 -2,-0.3 2,-0.4 -0.954 23.0-138.2-141.6 154.3 1.7 9.0 72.5 92 86 A Q E +MN 71 105C 63 -21,-2.3 -21,-2.6 -2,-0.3 2,-0.3 -0.954 36.5 135.2-118.4 138.7 0.2 11.8 74.5 93 87 A D E - N 0 104C 1 11,-1.8 11,-3.1 -2,-0.4 2,-0.5 -0.952 56.2 -76.3-165.7 173.6 2.2 14.6 76.2 94 88 A I E - 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