==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 02-AUG-12 4GEJ . COMPND 2 MOLECULE: THIOREDOXIN-INTERACTING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.POLEKHINA,S.F.KOK,D.B.ASCHER,M.WALTHAM . 1361 20 5 0 5 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 870 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 579 42.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 13 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 174 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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+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 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 RESIDUES PER ALPHA HELIX . 5 5 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 PARALLEL BRIDGES PER LADDER . 3 1 13 6 1 20 1 11 3 4 5 1 0 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 16 10 5 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 1 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 8 A K 0 0 167 0, 0.0 2,-0.3 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 -53.5 -13.0 -6.4 24.2 2 9 A S E +A 27 0A 44 25,-1.5 25,-1.9 2,-0.0 2,-0.2 -0.914 360.0 164.2-143.8 123.4 -10.3 -7.9 21.8 3 10 A F E +A 26 0A 16 -2,-0.3 2,-0.3 23,-0.2 23,-0.2 -0.710 15.1 158.6-142.7 82.0 -6.9 -6.2 21.1 4 11 A E E -A 25 0A 104 21,-1.6 21,-1.9 -2,-0.2 2,-0.3 -0.759 35.3-141.6-107.4 149.2 -4.2 -8.4 19.5 5 12 A V E -A 24 0A 1 -2,-0.3 2,-0.3 19,-0.2 19,-0.2 -0.804 27.1-178.4 -92.4 151.3 -1.0 -7.9 17.5 6 13 A V E -A 23 0A 47 17,-1.7 17,-3.2 -2,-0.3 2,-0.2 -0.915 15.6-143.6-154.8 119.3 -0.7 -10.5 14.8 7 14 A F E -A 22 0A 20 -2,-0.3 15,-0.3 15,-0.3 5,-0.1 -0.633 25.7-114.8 -87.7 150.4 2.3 -10.7 12.4 8 15 A N S S+ 0 0 107 13,-2.2 14,-0.1 -2,-0.2 -1,-0.1 0.850 114.8 42.7 -50.7 -40.7 1.9 -11.7 8.7 9 16 A D S S- 0 0 71 12,-0.4 3,-0.4 1,-0.1 -1,-0.2 -0.956 73.8-167.9-104.5 117.6 4.0 -14.8 9.5 10 17 A P S S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.671 89.5 34.4 -77.7 -14.2 2.7 -16.2 12.8 11 18 A E S S+ 0 0 109 2,-0.1 2,-0.1 -4,-0.0 1234,-0.1 0.260 92.2 123.8-120.9 6.8 5.8 -18.6 13.1 12 19 A K - 0 0 93 -3,-0.4 118,-0.4 -5,-0.1 2,-0.3 -0.352 41.8-161.8 -78.1 151.8 8.5 -16.4 11.5 13 20 A V - 0 0 17 116,-0.1 2,-0.3 -2,-0.1 118,-0.2 -0.964 23.6-139.6-123.8 140.1 11.8 -15.4 13.0 14 21 A Y B -c 131 0B 13 116,-1.9 118,-2.3 -2,-0.3 2,-0.2 -0.822 11.8-155.5-117.1 149.3 13.5 -12.4 11.3 15 22 A G > - 0 0 1 -2,-0.3 3,-1.5 116,-0.2 76,-0.2 -0.498 45.5 -52.1-107.5-178.8 17.0 -11.5 10.4 16 23 A S T 3 S+ 0 0 14 116,-0.3 77,-0.2 1,-0.3 -1,-0.2 -0.250 121.3 7.5 -58.4 128.1 18.9 -8.3 9.7 17 24 A G T 3 S+ 0 0 18 75,-1.5 -1,-0.3 1,-0.3 76,-0.1 0.133 95.0 132.6 90.1 -18.7 17.3 -5.9 7.3 18 25 A E < - 0 0 76 -3,-1.5 73,-2.0 74,-0.2 2,-0.7 -0.142 57.6-117.3 -63.8 158.8 14.1 -7.9 7.0 19 26 A R E - B 0 90A 155 71,-0.2 2,-0.7 -3,-0.1 71,-0.2 -0.861 17.3-154.9-108.8 116.7 10.8 -6.2 7.2 20 27 A V E + B 0 89A 0 69,-1.1 69,-1.6 -2,-0.7 2,-0.3 -0.789 26.0 164.4 -86.7 117.3 8.4 -7.1 10.1 21 28 A A E + B 0 88A 7 -2,-0.7 -13,-2.2 67,-0.2 -12,-0.4 -0.926 4.0 132.8-126.1 160.9 4.8 -6.4 9.1 22 29 A G E -AB 7 87A 1 65,-1.8 65,-1.8 -2,-0.3 2,-0.3 -0.939 43.2 -83.6-174.0-168.5 1.4 -7.4 10.6 23 30 A R E -AB 6 86A 95 -17,-3.2 -17,-1.7 -2,-0.3 2,-0.4 -0.825 15.2-143.7-116.4 157.2 -2.1 -6.3 11.7 24 31 A V E -AB 5 85A 2 61,-1.8 61,-1.7 -2,-0.3 2,-0.6 -0.992 26.5-160.0-114.1 115.6 -3.6 -4.8 14.9 25 32 A I E -AB 4 84A 22 -21,-1.9 -21,-1.6 -2,-0.4 2,-0.4 -0.880 9.5-174.6-113.6 119.1 -7.1 -6.3 15.4 26 33 A V E -AB 3 83A 5 57,-1.4 57,-1.4 -2,-0.6 2,-0.4 -0.829 9.2-177.0-115.6 139.3 -9.8 -4.7 17.5 27 34 A E E -A 2 0A 43 -25,-1.9 -25,-1.5 -2,-0.4 2,-0.4 -0.983 5.9-165.4-138.7 128.3 -13.3 -5.6 18.7 28 35 A V B -d 79 0C 18 50,-0.5 52,-0.5 -2,-0.4 53,-0.2 -0.849 14.4-166.8-107.2 142.2 -15.7 -3.6 20.7 29 36 A S S S+ 0 0 76 -2,-0.4 -1,-0.1 50,-0.2 2,-0.1 0.857 85.1 37.5 -87.8 -49.9 -18.8 -4.9 22.5 30 37 A E S S- 0 0 146 48,-0.1 2,-0.4 1,-0.1 -2,-0.0 -0.306 108.1 -84.6 -83.2 178.0 -20.3 -1.4 23.1 31 38 A V - 0 0 87 47,-0.1 2,-0.4 -2,-0.1 47,-0.2 -0.755 53.1-160.6 -87.6 134.1 -20.0 1.5 20.7 32 39 A T E -E 77 0D 19 45,-2.0 45,-3.3 -2,-0.4 2,-1.3 -0.960 26.5-149.6-135.9 128.8 -16.6 3.4 21.1 33 40 A R E -E 76 0D 131 -2,-0.4 2,-0.2 43,-0.2 43,-0.2 -0.668 30.6-166.2 -90.7 80.4 -15.1 6.8 20.2 34 41 A V E -E 75 0D 1 -2,-1.3 41,-2.0 41,-1.2 83,-0.3 -0.500 18.1-158.3 -75.1 133.1 -11.4 5.8 19.7 35 42 A K - 0 0 53 81,-3.1 2,-0.3 1,-0.3 82,-0.2 0.955 64.9 -50.4 -69.9 -53.2 -8.9 8.6 19.5 36 43 A A E -F 116 0E 29 80,-1.3 80,-2.5 38,-0.1 2,-0.4 -0.935 42.0-119.8-179.3 155.7 -6.3 6.6 17.6 37 44 A V E +F 115 0E 1 32,-0.3 32,-1.7 -2,-0.3 2,-0.2 -0.942 36.0 174.9-112.9 132.9 -4.2 3.3 17.5 38 45 A R E -FG 114 68E 39 76,-2.0 76,-2.7 -2,-0.4 2,-0.3 -0.730 17.8-143.6-132.2 178.2 -0.4 3.3 17.6 39 46 A I E -FG 113 67E 2 28,-2.1 28,-2.0 74,-0.2 2,-0.4 -1.000 5.7-167.0-150.2 136.3 2.6 1.1 17.8 40 47 A L E -FG 112 66E 22 72,-1.6 72,-2.4 -2,-0.3 2,-0.4 -0.999 12.0-169.4-121.1 131.0 6.0 1.1 19.4 41 48 A A E -FG 111 65E 0 24,-2.7 24,-1.7 -2,-0.4 2,-0.4 -0.979 10.9-174.3-121.8 134.9 8.6 -1.4 18.2 42 49 A S E -FG 110 64E 11 68,-1.9 68,-1.8 -2,-0.4 2,-0.4 -0.994 26.1-169.6-141.1 137.9 11.8 -1.9 20.2 43 50 A G E +FG 109 63E 0 20,-2.3 19,-3.6 -2,-0.4 20,-1.5 -0.865 28.5 168.6-122.2 93.4 15.1 -3.8 19.9 44 51 A V E -FG 108 61E 19 64,-1.7 64,-1.8 -2,-0.4 2,-0.6 -0.861 23.9-158.1-114.0 135.8 16.8 -3.5 23.3 45 52 A A E -FG 107 60E 0 15,-2.8 15,-1.0 -2,-0.4 2,-0.2 -0.940 17.8-175.9-114.0 108.8 19.9 -5.4 24.6 46 53 A K E +F 106 0E 56 60,-1.3 60,-0.7 -2,-0.6 2,-0.3 -0.641 11.4 178.3 -95.3 155.1 20.1 -5.5 28.4 47 54 A V - 0 0 2 11,-0.3 11,-1.8 -2,-0.2 2,-0.4 -0.854 10.1-171.7-150.4 131.8 23.0 -7.0 30.5 48 55 A L E +I 57 0F 55 276,-0.5 276,-2.4 56,-0.3 2,-0.3 -0.978 10.3 160.7-129.5 139.7 22.9 -6.7 34.4 49 56 A W E -IJ 56 323F 1 7,-1.6 7,-2.6 -2,-0.4 2,-0.2 -0.949 33.5-111.0-151.1 163.3 25.5 -7.6 36.9 50 57 A M E -I 55 0F 43 272,-1.4 272,-0.4 -2,-0.3 2,-0.2 -0.583 18.1-176.7 -95.4 174.1 26.6 -7.1 40.5 51 58 A Q E > S-I 54 0F 44 3,-1.0 3,-2.9 1,-0.8 330,-0.1 -0.741 72.1 -54.4-176.7 87.0 29.6 -5.2 41.5 52 59 A G T 3 S- 0 0 67 1,-0.3 -1,-0.8 -2,-0.2 330,-0.0 -0.346 121.1 -23.3 49.6-131.9 29.9 -5.5 45.2 53 60 A S T 3 S+ 0 0 73 -3,-0.1 -1,-0.3 2,-0.1 142,-0.2 0.374 119.6 103.4 -82.6 3.2 26.6 -4.3 46.5 54 61 A Q E < -I 51 0F 12 -3,-2.9 -3,-1.0 140,-0.1 2,-0.5 -0.582 60.7-148.8 -81.4 149.1 26.0 -2.2 43.3 55 62 A Q E -IK 50 193F 86 138,-2.5 138,-2.3 -2,-0.2 2,-0.3 -0.977 18.2-166.2-114.7 123.8 23.6 -3.4 40.6 56 63 A a E -IK 49 192F 1 -7,-2.6 -7,-1.6 -2,-0.5 2,-0.3 -0.732 8.5-171.6-108.6 156.8 24.6 -2.2 37.2 57 64 A K E -IK 48 191F 83 134,-1.8 134,-2.1 -2,-0.3 2,-0.4 -0.976 1.4-169.5-146.1 136.7 22.6 -2.3 34.0 58 65 A Q E - K 0 190F 15 -11,-1.8 -11,-0.3 -2,-0.3 2,-0.2 -0.959 12.0-160.7-139.2 117.4 23.9 -1.5 30.5 59 66 A T - 0 0 47 130,-0.7 2,-0.4 -2,-0.4 -13,-0.2 -0.600 12.4-165.8-107.2 154.7 21.6 -1.0 27.6 60 67 A S E -G 45 0E 39 -15,-1.0 -15,-2.8 -2,-0.2 2,-0.7 -0.967 10.0-152.9-137.1 130.4 21.7 -1.1 23.8 61 68 A E E +G 44 0E 128 -2,-0.4 -17,-0.2 -17,-0.2 3,-0.1 -0.862 28.5 155.3-100.1 112.1 19.2 0.2 21.4 62 69 A Y E S+ 0 0 63 -19,-3.6 2,-0.3 -2,-0.7 -1,-0.2 0.711 71.3 25.0-100.7 -32.4 19.3 -1.6 18.1 63 70 A L E +G 43 0E 11 -20,-1.5 -20,-2.3 -3,-0.2 -1,-0.3 -0.990 54.2 157.5-136.3 141.6 15.7 -0.9 17.1 64 71 A R E +G 42 0E 77 -2,-0.3 2,-0.4 -22,-0.2 -22,-0.2 -0.340 12.9 163.9-165.9 84.6 13.1 1.8 17.9 65 72 A Y E -G 41 0E 42 -24,-1.7 -24,-2.7 2,-0.0 2,-0.4 -0.864 11.9-172.1-111.5 130.0 10.2 2.5 15.6 66 73 A E E +G 40 0E 21 -2,-0.4 2,-0.4 -26,-0.2 -26,-0.2 -0.975 11.4 170.8-120.4 130.7 7.0 4.5 16.4 67 74 A D E -G 39 0E 19 -28,-2.0 -28,-2.1 -2,-0.4 2,-0.7 -0.995 31.2-143.4-136.9 141.5 4.0 4.7 14.1 68 75 A T E -G 38 0E 19 -2,-0.4 -30,-0.2 689,-0.3 689,-0.1 -0.929 33.8-150.7 -91.0 119.1 0.4 6.0 14.2 69 76 A L - 0 0 7 -32,-1.7 -32,-0.3 -2,-0.7 2,-0.2 -0.324 12.1-165.4 -83.1 168.4 -1.5 3.5 12.1 70 77 A L 0 0 120 16,-0.4 16,-0.3 -34,-0.1 -1,-0.1 -0.449 360.0 360.0-127.5-152.6 -4.7 4.2 10.1 71 78 A L 0 0 125 -2,-0.2 14,-0.2 14,-0.1 12,-0.0 -0.920 360.0 360.0-120.3 360.0 -7.5 2.1 8.4 72 ! 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 73 87 A E 0 0 180 0, 0.0 2,-0.4 0, 0.0 706,-0.0 0.000 360.0 360.0 360.0 32.2 -9.3 11.9 12.5 74 88 A M - 0 0 64 -38,-0.0 2,-0.3 2,-0.0 -39,-0.2 -0.933 360.0-142.8-113.4 141.8 -11.4 10.4 15.3 75 89 A V E -E 34 0D 42 -41,-2.0 -41,-1.2 -2,-0.4 2,-0.8 -0.835 10.3-144.6-115.1 138.5 -13.2 7.0 14.7 76 90 A I E -E 33 0D 83 -2,-0.3 -43,-0.2 -43,-0.2 2,-0.2 -0.870 24.3-160.9 -96.7 99.0 -16.5 5.6 15.8 77 91 A M E -E 32 0D 0 -45,-3.3 -45,-2.0 -2,-0.8 -50,-0.0 -0.538 8.5-168.6 -74.9 148.5 -15.9 1.9 16.4 78 92 A R > - 0 0 140 -47,-0.2 3,-0.6 -2,-0.2 -50,-0.5 -0.883 26.0 -92.4-133.9 161.6 -18.9 -0.4 16.4 79 93 A P B 3 S+d 28 0C 60 0, 0.0 -50,-0.2 0, 0.0 3,-0.1 -0.345 99.4 36.7 -73.6 160.1 -19.5 -4.0 17.4 80 94 A G T 3 S+ 0 0 77 -52,-0.5 2,-0.3 1,-0.2 -51,-0.1 0.651 95.3 98.8 79.6 18.6 -19.3 -6.9 15.0 81 95 A N < - 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