==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR 14-SEP-00 1FUB . COMPND 2 MOLECULE: INSULIN, A CHAIN; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.B.VON DREELE,P.W.STEPHENS,R.H.BLESSING,G.D.SMITH . 102 4 6 2 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 1 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 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 1 A G 0 0 37 0, 0.0 51,-0.1 0, 0.0 50,-0.1 0.000 360.0 360.0 360.0-125.2 -1.9 20.1 -14.3 2 2 A I >> + 0 0 29 47,-0.3 4,-1.8 49,-0.2 3,-1.2 0.729 360.0 62.0 -97.5 -31.3 0.2 18.3 -11.7 3 3 A V H 3>>S+ 0 0 58 1,-0.3 5,-4.0 46,-0.2 4,-1.1 0.962 96.7 60.0 -59.8 -43.2 -0.4 14.8 -13.0 4 4 A E H 345S+ 0 0 116 1,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.791 108.3 51.5 -53.2 -25.3 1.3 16.0 -16.2 5 5 A Q H <45S+ 0 0 71 -3,-1.2 -2,-0.2 3,-0.2 -1,-0.2 0.978 129.5 2.1 -77.9 -61.8 4.2 16.6 -13.8 6 6 A a H <5S+ 0 0 4 -4,-1.8 22,-2.8 2,-0.1 5,-0.4 0.807 138.2 34.4-104.9 -33.8 4.8 13.4 -11.8 7 7 A b T <5S+ 0 0 44 -4,-1.1 -3,-0.2 -5,-0.4 -4,-0.1 0.827 125.0 42.3 -89.3 -35.1 2.3 10.7 -13.1 8 8 A T S - 0 0 50 -2,-0.3 4,-0.8 13,-0.1 3,-0.3 -0.485 36.6 -88.1-103.5 173.6 12.2 14.0 -8.9 13 13 A L T 4 S+ 0 0 72 1,-0.2 4,-0.2 -2,-0.2 11,-0.0 0.712 123.1 30.7 -54.8 -27.3 13.0 14.5 -5.2 14 14 A Y T > S+ 0 0 154 2,-0.1 4,-0.5 1,-0.1 3,-0.5 0.676 94.8 80.3-110.3 -18.1 12.2 18.2 -5.2 15 15 A Q T 4 S+ 0 0 74 -3,-0.3 3,-0.3 1,-0.3 -2,-0.1 0.783 100.4 47.6 -62.9 -22.0 9.5 18.8 -7.8 16 16 A L T >< S+ 0 0 5 -4,-0.8 3,-3.2 1,-0.2 -1,-0.3 0.782 93.8 73.9 -84.8 -26.0 7.0 17.6 -5.3 17 17 A E G >4 S+ 0 0 49 -3,-0.5 3,-0.6 1,-0.3 -1,-0.2 0.661 89.8 62.6 -61.3 -13.5 8.5 19.8 -2.6 18 18 A N G 3< S+ 0 0 118 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.2 0.677 98.8 56.7 -80.0 -20.0 6.8 22.6 -4.5 19 19 A Y G < S+ 0 0 39 -3,-3.2 28,-1.2 -4,-0.1 2,-0.3 0.288 85.5 98.9 -96.8 2.3 3.5 20.8 -3.7 20 20 A c < 0 0 11 -3,-0.6 26,-0.3 -4,-0.2 17,-0.0 -0.651 360.0 360.0 -90.4 152.5 3.9 20.9 0.1 21 21 A N 0 0 106 -2,-0.3 -1,-0.2 80,-0.2 24,-0.1 0.531 360.0 360.0 -79.3 360.0 2.2 23.5 2.1 22 !* 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 23 1 B F 0 0 118 0, 0.0 2,-0.3 0, 0.0 -10,-0.1 0.000 360.0 360.0 360.0 149.2 15.0 8.8 -4.5 24 2 B V - 0 0 87 -12,-0.1 2,-0.6 -11,-0.0 -13,-0.1 -0.610 360.0-151.7 -85.6 138.4 13.0 6.7 -6.9 25 3 B N + 0 0 108 -2,-0.3 2,-0.2 -15,-0.1 -13,-0.1 -0.914 43.5 121.5-113.5 104.5 12.4 8.1 -10.4 26 4 B Q S S- 0 0 75 -2,-0.6 -15,-1.4 -15,-0.5 2,-0.9 -0.763 74.2 -78.3-141.4-177.0 9.1 6.8 -11.8 27 5 B H - 0 0 96 -17,-0.2 2,-0.6 -2,-0.2 -20,-0.3 -0.869 55.9-134.7 -90.7 108.2 5.8 8.0 -13.1 28 6 B L + 0 0 0 -22,-2.8 2,-0.3 -2,-0.9 -19,-0.1 -0.552 52.1 122.0 -77.1 116.6 4.1 8.8 -9.8 29 7 B b >> + 0 0 49 -2,-0.6 4,-1.6 -22,-0.1 3,-0.7 -0.889 42.6 35.1-152.7 173.7 0.6 7.5 -9.7 30 8 B G H >> S- 0 0 43 -2,-0.3 4,-1.5 2,-0.2 3,-0.9 0.103 112.1 -44.5 72.8-173.8 -1.5 5.1 -7.6 31 9 B S H 34 S+ 0 0 57 1,-0.3 -1,-0.2 2,-0.2 4,-0.1 0.267 134.3 73.1 -76.2 14.5 -1.4 4.4 -3.9 32 10 B H H <4 S+ 0 0 134 -3,-0.7 4,-0.4 2,-0.1 -1,-0.3 0.839 100.4 34.2 -92.9 -47.0 2.3 4.4 -4.7 33 11 B L H XX S+ 0 0 31 -4,-1.6 4,-3.1 -3,-0.9 3,-1.3 0.928 111.7 57.6 -78.7 -43.6 2.8 8.2 -5.3 34 12 B V H 3X S+ 0 0 23 -4,-1.5 4,-2.6 1,-0.3 5,-0.2 0.941 108.9 48.1 -52.7 -46.5 0.3 9.6 -2.8 35 13 B E H 3> S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.724 111.7 52.0 -67.8 -18.7 2.2 7.8 -0.0 36 14 B A H <> S+ 0 0 14 -3,-1.3 4,-3.5 -4,-0.4 5,-0.4 0.916 107.3 49.7 -80.4 -45.1 5.4 9.2 -1.5 37 15 B L H X S+ 0 0 20 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.915 120.4 38.7 -59.6 -39.4 4.2 12.7 -1.5 38 16 B Y H X S+ 0 0 13 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.974 117.9 48.7 -71.4 -50.8 3.2 12.1 2.1 39 17 B L H < S+ 0 0 113 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.728 119.8 38.8 -62.6 -27.7 6.3 10.1 2.8 40 18 B V H < S+ 0 0 33 -4,-3.5 -3,-0.2 2,-0.1 -2,-0.2 0.937 113.7 49.7 -87.5 -55.9 8.5 12.7 1.3 41 19 B c H >< S+ 0 0 6 -4,-2.2 3,-1.5 -5,-0.4 4,-0.3 0.755 89.6 166.5 -58.2 -25.5 6.9 15.9 2.5 42 20 B G T 3< + 0 0 29 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.1 -0.150 54.7 7.1 57.9-135.7 7.0 14.3 5.9 43 21 B E T 3 S+ 0 0 197 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.449 123.2 62.2 -64.2 -10.2 6.3 16.4 9.0 44 22 B R S < S- 0 0 130 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.949 96.5-111.0 -82.8 -74.9 5.3 19.6 7.1 45 23 B G - 0 0 2 -4,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.907 24.8-141.9 159.6 175.8 2.2 18.9 5.0 46 24 B F E -A 101 0A 7 55,-2.2 55,-1.2 -26,-0.3 2,-0.3 -0.968 5.0-136.3-159.1 170.6 0.8 18.6 1.5 47 25 B F E -A 100 0A 44 -28,-1.2 2,-0.4 -2,-0.3 53,-0.2 -1.000 9.3-155.8-138.2 142.2 -1.9 19.1 -1.1 48 26 B Y E -A 99 0A 61 51,-3.1 51,-1.1 -2,-0.3 3,-0.1 -0.966 5.8-174.2-119.1 128.2 -3.6 17.0 -3.7 49 27 B T + 0 0 42 -2,-0.4 -47,-0.3 49,-0.2 -46,-0.2 -0.846 9.3 175.9-120.9 97.2 -5.4 18.3 -6.8 50 28 B P + 0 0 8 0, 0.0 2,-0.3 0, 0.0 47,-0.2 0.863 64.3 93.6 -66.8 -28.2 -7.1 15.6 -8.8 51 29 B K 0 0 159 45,-0.5 -49,-0.2 1,-0.2 -48,-0.1 -0.468 360.0 360.0 -67.2 125.0 -8.3 18.4 -11.0 52 30 B T 0 0 132 -2,-0.3 -1,-0.2 -51,-0.1 0, 0.0 -0.229 360.0 360.0 -50.3 360.0 -5.8 18.7 -13.8 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 1 C G > 0 0 30 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 160.6 -7.9 15.9 14.8 55 2 C I H >> + 0 0 12 50,-3.0 4,-1.7 2,-0.3 3,-0.8 0.941 360.0 41.4 -59.0 -47.8 -8.2 14.0 11.6 56 3 C V H 3> S+ 0 0 15 49,-0.5 4,-0.9 1,-0.3 5,-0.4 0.739 116.2 54.5 -68.9 -19.0 -5.5 11.6 12.7 57 4 C E H 34 S+ 0 0 108 48,-0.3 -2,-0.3 3,-0.2 -1,-0.3 0.680 107.7 49.4 -83.7 -21.2 -7.3 12.0 15.9 58 5 C Q H << S+ 0 0 89 -4,-1.2 -2,-0.2 -3,-0.8 -3,-0.2 0.737 122.9 25.1 -92.7 -28.2 -10.6 10.9 14.3 59 6 C d H < S+ 0 0 16 -4,-1.7 5,-0.2 -5,-0.1 -3,-0.2 0.519 112.8 64.2-114.7 -11.3 -9.5 7.7 12.5 60 7 C e S < S+ 0 0 23 -4,-0.9 -3,-0.2 -5,-0.3 -2,-0.1 0.963 117.4 22.5 -72.8 -73.3 -6.5 6.6 14.5 61 8 C T S S+ 0 0 110 -5,-0.4 2,-0.3 -4,-0.2 -1,-0.1 0.503 138.4 39.0 -73.5 -5.9 -8.1 5.8 17.9 62 9 C S S S- 0 0 51 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.992 86.1-127.6-141.7 138.7 -11.4 5.4 16.1 63 10 C I - 0 0 150 -2,-0.3 2,-0.3 1,-0.0 -3,-0.1 -0.564 26.9-150.4 -85.1 153.2 -12.0 3.9 12.7 64 11 C d - 0 0 36 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.1 -0.928 4.6-131.2-125.5 153.0 -13.9 5.9 10.1 65 12 C S > - 0 0 50 -2,-0.3 3,-0.6 1,-0.1 4,-0.4 -0.715 34.2-100.3-102.7 156.7 -16.2 5.1 7.2 66 13 C L G > S+ 0 0 95 -2,-0.3 3,-1.1 1,-0.3 4,-0.4 0.745 120.8 47.3 -43.9 -43.6 -16.0 6.5 3.7 67 14 C Y G > S+ 0 0 164 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.955 106.1 58.6 -66.7 -44.0 -18.7 9.1 4.1 68 15 C Q G < S+ 0 0 119 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.435 98.8 63.3 -68.3 2.7 -17.2 10.3 7.4 69 16 C L G X S+ 0 0 17 -3,-1.1 3,-1.8 -4,-0.4 4,-0.4 0.608 80.4 75.9 -99.7 -17.4 -14.0 11.1 5.4 70 17 C E G X S+ 0 0 90 -3,-2.3 3,-0.6 -4,-0.4 -2,-0.2 0.678 78.0 79.0 -68.0 -13.6 -15.6 13.7 3.1 71 18 C N G 3 S+ 0 0 120 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.703 101.6 37.2 -64.7 -20.8 -15.4 15.9 6.2 72 19 C Y G < S+ 0 0 66 -3,-1.8 28,-0.7 -17,-0.0 -1,-0.3 0.406 94.1 110.6-109.5 -6.6 -11.7 16.3 5.3 73 20 C f B < B 99 0A 12 -3,-0.6 26,-0.2 -4,-0.4 25,-0.0 -0.534 360.0 360.0 -78.3 137.8 -12.1 16.4 1.5 74 21 C N 0 0 109 24,-1.0 25,-0.1 -2,-0.2 24,-0.1 0.772 360.0 360.0 -22.1 360.0 -11.4 19.7 -0.2 75 !* 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 76 1 D F 0 0 218 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-145.5 0.1 4.5 22.5 77 2 D V - 0 0 62 0, 0.0 2,-0.6 0, 0.0 -16,-0.1 -0.994 360.0-134.9-132.6 131.7 -1.1 4.8 18.9 78 3 D N > - 0 0 65 -2,-0.3 4,-1.9 1,-0.1 5,-0.0 -0.815 15.8-173.8 -99.7 123.0 1.3 5.8 16.0 79 4 D Q H > S+ 0 0 108 -2,-0.6 4,-3.2 2,-0.2 5,-0.3 0.777 78.1 72.2 -83.2 -27.8 0.1 8.3 13.5 80 5 D H H > S+ 0 0 104 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.943 112.9 33.4 -51.2 -43.6 3.0 8.1 11.1 81 6 D L H >> S+ 0 0 101 2,-0.2 4,-1.3 1,-0.2 3,-0.7 0.964 112.9 60.4 -74.7 -49.1 1.5 4.8 10.2 82 7 D e H 3X S+ 0 0 23 -4,-1.9 4,-2.1 1,-0.3 -2,-0.2 0.793 104.8 52.5 -49.6 -37.5 -2.2 5.9 10.7 83 8 D G H 3X S+ 0 0 0 -4,-3.2 4,-3.9 2,-0.2 5,-0.5 0.931 97.6 61.8 -68.2 -41.3 -1.7 8.5 8.0 84 9 D S H S+ 0 0 7 -4,-4.2 4,-3.1 -5,-0.3 5,-0.6 0.928 98.0 58.9 -56.1 -41.2 -8.5 9.4 1.4 91 16 D Y H X5S+ 0 0 88 -4,-2.5 4,-1.9 -3,-0.5 -1,-0.2 0.936 111.1 41.4 -51.9 -50.6 -7.3 9.5 -2.2 92 17 D L H <5S+ 0 0 120 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.971 119.4 43.4 -61.3 -55.9 -10.0 7.0 -3.2 93 18 D V H <5S+ 0 0 24 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.953 114.6 46.9 -59.5 -54.1 -12.7 8.6 -1.1 94 19 D f H ><5S+ 0 0 2 -4,-3.1 3,-1.0 -5,-0.2 4,-0.3 0.833 90.6 176.5 -62.4 -27.4 -12.1 12.2 -2.0 95 20 D G G ><< - 0 0 23 -4,-1.9 3,-1.0 -5,-0.6 -1,-0.2 -0.281 56.2 -17.6 63.6-149.0 -11.8 11.2 -5.6 96 21 D E G 3 S+ 0 0 137 1,-0.2 -45,-0.5 -46,-0.1 -1,-0.2 0.690 122.2 73.5 -69.2 -24.1 -11.2 13.9 -8.2 97 22 D R G < S- 0 0 110 -3,-1.0 -1,-0.2 -47,-0.2 -2,-0.2 0.800 97.4-147.0 -64.8 -20.4 -12.3 16.9 -6.1 98 23 D G < - 0 0 0 -3,-1.0 -24,-1.0 -4,-0.3 2,-0.3 -0.135 10.7-120.8 81.4 179.3 -9.0 16.4 -4.4 99 24 D F E -AB 48 73A 8 -51,-1.1 -51,-3.1 -26,-0.2 2,-0.4 -0.966 2.0-129.1-154.3 166.5 -7.9 16.9 -0.8 100 25 D F E -A 47 0A 101 -28,-0.7 2,-0.7 -2,-0.3 -53,-0.2 -0.980 17.8-155.5-125.9 121.1 -5.5 18.7 1.6 101 26 D Y E -A 46 0A 14 -55,-1.2 -55,-2.2 -2,-0.4 -80,-0.2 -0.833 10.0-176.4-104.1 112.2 -3.4 16.8 4.2 102 27 D T > - 0 0 72 -2,-0.7 3,-0.7 -57,-0.2 2,-0.5 -0.896 17.8-151.6-105.7 112.0 -2.3 18.8 7.2 103 28 D P T 3 S+ 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -58,-0.1 0.010 89.1 58.1 -76.5 36.5 -0.2 16.7 9.6 104 29 D K T 3 0 0 158 -2,-0.5 -59,-0.0 0, 0.0 -3,-0.0 0.578 360.0 360.0-127.2 -30.3 -1.3 18.7 12.6 105 30 D T < 0 0 88 -3,-0.7 -50,-3.0 -51,-0.1 -49,-0.5 0.008 360.0 360.0-168.5 360.0 -5.1 18.4 12.7