==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 06-OCT-09 2KP1 . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMICOLA INSOLENS; . AUTHOR K.KATO,Y.YAMAGUCHI,O.SERVE . 121 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 81 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 8.3 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 . 16 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 3.3 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 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 106 0, 0.0 3,-0.3 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 142.3 10.4 17.9 -11.1 2 2 A P + 0 0 137 0, 0.0 2,-0.7 0, 0.0 3,-0.2 0.893 360.0 36.6 -59.2 -41.1 8.3 15.9 -13.7 3 3 A L S S+ 0 0 156 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.889 79.1 112.3-114.0 93.2 7.0 13.8 -11.0 4 4 A G + 0 0 61 -2,-0.7 -1,-0.1 -3,-0.3 2,-0.1 0.123 44.0 123.7-144.5 18.0 6.5 15.9 -8.0 5 5 A S S S- 0 0 93 -3,-0.2 2,-1.1 1,-0.1 -2,-0.0 -0.282 77.5 -75.3 -82.0 167.9 2.8 16.0 -7.7 6 6 A E S S+ 0 0 193 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 -0.494 105.7 71.0 -72.8 97.4 0.8 14.9 -4.7 7 7 A G + 0 0 33 -2,-1.1 4,-0.2 41,-0.1 -1,-0.1 0.268 36.7 159.4 157.8 66.2 0.9 11.2 -4.6 8 8 A P S S+ 0 0 27 0, 0.0 2,-0.2 0, 0.0 57,-0.1 0.950 73.8 70.1 -62.7 -48.3 4.3 9.6 -3.7 9 9 A V S S- 0 0 0 1,-0.1 2,-0.8 55,-0.1 57,-0.2 -0.497 104.4-109.9 -67.4 130.1 2.4 6.6 -2.9 10 10 A T E -a 66 0A 52 55,-2.3 57,-2.4 -2,-0.2 2,-0.9 -0.569 24.6-152.1 -73.5 106.4 1.1 5.0 -6.0 11 11 A V E -a 67 0A 73 -2,-0.8 2,-0.5 55,-0.2 57,-0.2 -0.770 21.2-168.0 -78.6 111.0 -2.6 5.4 -6.2 12 12 A V - 0 0 1 55,-2.6 57,-0.4 -2,-0.9 2,-0.1 -0.863 12.1-142.1-106.4 129.2 -3.5 2.5 -8.3 13 13 A V >> - 0 0 50 -2,-0.5 4,-1.6 55,-0.2 3,-1.0 -0.437 37.5 -97.9 -79.9 172.4 -6.9 2.1 -9.7 14 14 A A H 3> S+ 0 0 17 1,-0.3 4,-0.6 55,-0.2 -1,-0.1 0.794 124.7 64.4 -63.6 -24.6 -8.5 -1.4 -9.9 15 15 A K H 34 S+ 0 0 124 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.895 111.9 31.6 -59.9 -41.3 -7.2 -1.5 -13.5 16 16 A N H X> S+ 0 0 44 -3,-1.0 4,-3.4 1,-0.2 3,-1.8 0.596 93.9 91.9-100.0 -14.2 -3.6 -1.4 -12.4 17 17 A Y H 3X>S+ 0 0 15 -4,-1.6 5,-2.2 1,-0.3 4,-0.8 0.871 87.1 49.2 -51.0 -40.4 -3.9 -3.2 -9.2 18 18 A N H 3<5S+ 0 0 96 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.1 0.629 120.9 36.7 -77.9 -11.1 -3.1 -6.6 -10.7 19 19 A E H <45S+ 0 0 89 -3,-1.8 -2,-0.2 -4,-0.1 -1,-0.2 0.794 129.2 27.7-106.5 -41.5 -0.1 -5.2 -12.5 20 20 A I H ><5S+ 0 0 51 -4,-3.4 3,-0.7 2,-0.1 -3,-0.2 0.930 132.4 28.3 -84.4 -57.3 1.3 -2.8 -10.1 21 21 A V T 3<5S+ 0 0 0 -4,-0.8 7,-0.3 -5,-0.5 -3,-0.2 0.845 119.4 53.5 -82.2 -32.8 0.3 -4.1 -6.7 22 22 A L T 3 - 0 0 0 -2,-0.2 3,-1.0 35,-0.2 6,-0.2 -0.957 23.1-132.1-142.9 148.5 -12.5 5.7 0.2 35 35 A P T 3 S+ 0 0 69 0, 0.0 34,-0.0 0, 0.0 -1,-0.0 0.640 109.8 53.4 -83.9 -12.6 -11.9 9.5 0.0 36 36 A W T 3 S+ 0 0 174 4,-0.0 2,-0.6 5,-0.0 3,-0.0 0.414 84.7 115.0 -95.6 0.9 -14.8 10.1 2.3 37 37 A C <> - 0 0 9 -3,-1.0 4,-1.7 1,-0.2 5,-0.2 -0.623 53.0-161.2 -83.4 117.2 -13.4 7.7 4.8 38 38 A G T 4 S+ 0 0 58 -2,-0.6 4,-0.4 1,-0.2 -1,-0.2 0.788 97.4 55.9 -63.5 -29.5 -12.4 9.4 8.1 39 39 A H T >4 S+ 0 0 131 2,-0.2 3,-1.0 1,-0.2 4,-0.5 0.905 105.4 51.2 -67.3 -39.9 -10.3 6.3 8.7 40 40 A C G >> S+ 0 0 6 1,-0.3 4,-2.5 2,-0.2 3,-0.8 0.847 101.3 61.9 -65.4 -32.9 -8.5 6.9 5.4 41 41 A K G 3< S+ 0 0 129 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.704 107.4 44.8 -65.8 -18.7 -7.9 10.5 6.5 42 42 A A G <4 S+ 0 0 14 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.493 114.0 49.9 -98.8 -11.8 -5.9 9.0 9.4 43 43 A L T X> S+ 0 0 4 -3,-0.8 4,-1.8 -4,-0.5 3,-0.9 0.700 97.2 69.2 -97.0 -26.7 -4.2 6.7 7.0 44 44 A A H 3X S+ 0 0 21 -4,-2.5 4,-3.1 1,-0.2 5,-0.5 0.900 91.4 57.2 -59.9 -44.6 -3.2 9.4 4.5 45 45 A P H 34 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 60,-0.1 0.473 116.6 38.2 -75.3 1.0 -0.6 11.2 6.7 46 46 A K H <>>S+ 0 0 4 -3,-0.9 4,-3.0 3,-0.1 5,-0.6 0.632 116.3 51.6-109.4 -32.3 1.3 8.0 7.0 47 47 A Y H X5S+ 0 0 0 -4,-1.8 4,-1.3 1,-0.2 -3,-0.2 0.912 115.1 37.2 -80.5 -43.9 0.7 6.8 3.5 48 48 A E H X5S+ 0 0 58 -4,-3.1 4,-0.7 3,-0.2 -1,-0.2 0.681 122.3 48.8 -79.6 -12.6 1.8 9.8 1.7 49 49 A E H >5S+ 0 0 114 -5,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.939 120.7 31.4 -90.0 -52.0 4.6 10.3 4.2 50 50 A L H X5S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -3,-0.2 0.854 120.7 55.1 -73.9 -34.5 6.0 6.8 4.4 51 51 A G H XX S+ 0 0 87 -4,-2.5 4,-1.8 1,-0.2 3,-0.5 0.862 117.1 39.0 -54.5 -42.6 9.9 8.0 1.9 54 54 A Y H 3<>S+ 0 0 9 -4,-2.7 5,-0.6 1,-0.2 8,-0.2 0.968 119.6 43.4 -76.8 -46.0 9.7 4.8 0.1 55 55 A A H 3<5S+ 0 0 27 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.223 123.3 39.0 -86.7 17.7 8.9 6.1 -3.4 56 56 A K H <<5S+ 0 0 119 -4,-0.6 -1,-0.2 -3,-0.5 -3,-0.2 0.569 115.8 43.4-128.9 -36.1 11.5 8.9 -3.1 57 57 A S T ><5S- 0 0 61 -4,-1.8 3,-2.4 -5,-0.4 4,-0.2 -0.007 117.3 -44.2-100.8-155.5 14.4 7.3 -1.3 58 58 A E T 3 5S+ 0 0 142 1,-0.3 3,-0.2 2,-0.1 -4,-0.1 0.427 130.0 58.3 -57.2 -0.2 16.3 3.9 -1.6 59 59 A F T > - b 0 33A 15 -57,-0.4 4,-1.7 -2,-0.4 3,-0.4 -0.779 25.5-165.7 -84.7 113.6 -9.9 3.3 -4.2 70 70 A A T 4 S+ 0 0 20 -37,-1.9 5,-0.3 -2,-0.9 -1,-0.2 0.402 84.0 41.9 -82.7 -0.1 -12.1 0.4 -3.2 71 71 A T T 4 S+ 0 0 68 -38,-0.6 -1,-0.2 3,-0.1 3,-0.1 0.445 115.1 45.0-127.3 -7.1 -15.2 2.2 -3.8 72 72 A A T 4 S+ 0 0 67 -3,-0.4 2,-0.5 1,-0.3 -2,-0.2 0.681 120.4 40.4-101.7 -33.7 -14.5 4.2 -7.0 73 73 A N S < S- 0 0 47 -4,-1.7 2,-0.9 -59,-0.0 -1,-0.3 -0.968 90.0-123.1-119.1 132.8 -13.0 1.2 -8.7 74 74 A D - 0 0 155 -2,-0.5 -3,-0.1 -3,-0.1 -4,-0.1 -0.654 30.2-156.3 -80.3 106.3 -14.4 -2.2 -8.3 75 75 A V - 0 0 26 -2,-0.9 4,-0.1 -5,-0.3 -60,-0.0 -0.636 18.1-149.7 -87.2 142.0 -11.7 -4.4 -6.9 76 76 A P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.353 73.1 98.1 -86.8 2.4 -11.7 -8.2 -7.4 77 77 A D S S- 0 0 29 1,-0.1 2,-0.4 0, 0.0 -2,-0.0 -0.100 84.1 -92.4 -79.3-175.9 -9.9 -8.4 -4.1 78 78 A E - 0 0 112 2,-0.0 2,-0.5 -2,-0.0 -1,-0.1 -0.860 28.0-155.7-105.5 131.6 -11.4 -9.2 -0.7 79 79 A I - 0 0 60 -2,-0.4 5,-0.1 2,-0.1 0, 0.0 -0.949 6.1-169.7-109.3 124.3 -12.5 -6.5 1.6 80 80 A Q S S- 0 0 78 -2,-0.5 2,-0.2 19,-0.2 -1,-0.1 0.058 81.7 -12.8-103.3 28.2 -12.5 -7.5 5.3 81 81 A G S S- 0 0 57 1,-0.1 3,-0.1 3,-0.0 -2,-0.1 -0.647 108.6 -64.1-179.6-120.3 -14.3 -4.3 6.4 82 82 A F S S+ 0 0 91 1,-0.5 2,-0.2 -2,-0.2 -1,-0.1 0.600 123.5 28.4-115.4 -52.5 -14.8 -1.4 4.2 83 83 A P S S+ 0 0 24 0, 0.0 -1,-0.5 0, 0.0 2,-0.3 -0.591 74.1 179.5 -91.4 170.8 -11.1 -0.5 3.8 84 84 A T E -C 32 0A 0 -52,-1.2 -52,-3.6 -2,-0.2 2,-0.4 -0.960 20.3-142.2-163.0 152.2 -8.3 -3.0 4.0 85 85 A I E -CD 31 99A 1 14,-2.9 14,-3.0 -2,-0.3 2,-0.4 -0.983 20.0-179.0-121.9 137.3 -4.6 -3.0 3.8 86 86 A K E -CD 30 98A 14 -56,-2.5 -56,-3.2 -2,-0.4 2,-0.7 -0.983 18.0-149.1-140.6 128.2 -2.8 -5.8 2.1 87 87 A L E -CD 29 97A 0 10,-1.1 10,-1.5 -2,-0.4 -58,-0.2 -0.881 8.4-165.4 -98.5 117.0 0.9 -6.3 1.7 88 88 A Y E -C 28 0A 11 -60,-3.4 -60,-3.1 -2,-0.7 5,-0.2 -0.900 17.6-156.0-100.6 96.3 1.7 -8.2 -1.4 89 89 A P > - 0 0 3 0, 0.0 2,-2.5 0, 0.0 3,-0.5 -0.328 30.8-101.2 -66.5 160.4 5.4 -9.2 -0.9 90 90 A A T 3 S+ 0 0 17 1,-0.2 -63,-0.1 2,-0.1 -66,-0.1 -0.576 119.5 22.2 -81.3 77.1 7.6 -10.0 -3.7 91 91 A G T 3 S+ 0 0 59 -2,-2.5 -1,-0.2 -65,-0.1 3,-0.1 0.102 121.5 51.2 154.0 -20.3 7.2 -13.6 -3.1 92 92 A A X + 0 0 39 -3,-0.5 3,-1.1 1,-0.1 -2,-0.1 -0.287 53.2 137.3-137.2 55.3 4.0 -14.2 -1.2 93 93 A K T 3 S+ 0 0 56 1,-0.3 -1,-0.1 -5,-0.2 -3,-0.1 0.476 71.4 66.2 -76.4 -2.0 1.3 -12.3 -3.2 94 94 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.618 109.3 33.8 -97.3 -16.2 -0.9 -15.3 -2.7 95 95 A Q S < S- 0 0 175 -3,-1.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.551 84.9-174.9-138.5 63.9 -1.1 -14.7 1.0 96 96 A P - 0 0 27 0, 0.0 2,-1.2 0, 0.0 -8,-0.2 -0.071 36.6-103.9 -49.3 160.4 -1.0 -10.9 1.5 97 97 A V E -D 87 0A 35 -10,-1.5 -10,-1.1 18,-0.0 2,-0.3 -0.810 41.0-151.8 -96.5 97.9 -0.9 -9.5 5.0 98 98 A T E +D 86 0A 63 -2,-1.2 2,-0.3 -12,-0.2 -12,-0.2 -0.597 26.4 159.1 -74.5 132.9 -4.4 -8.3 5.4 99 99 A Y E -D 85 0A 65 -14,-3.0 -14,-2.9 -2,-0.3 -19,-0.2 -0.850 40.9-145.5-141.5 168.5 -4.8 -5.4 7.7 100 100 A S S S- 0 0 67 -2,-0.3 -18,-0.1 -16,-0.3 -14,-0.1 0.507 71.0 -70.0-115.6 -18.9 -7.3 -2.7 8.4 101 101 A G - 0 0 27 -16,-0.1 -70,-0.0 1,-0.1 -58,-0.0 0.203 26.0-154.6 128.8 115.1 -4.9 0.0 9.3 102 102 A S - 0 0 40 2,-0.2 3,-0.1 -59,-0.1 4,-0.1 0.524 39.9-135.5 -83.7 -11.0 -2.5 0.7 12.2 103 103 A R + 0 0 163 1,-0.2 2,-0.3 2,-0.1 3,-0.1 0.598 68.3 102.1 65.7 18.2 -2.7 4.4 11.4 104 104 A T > - 0 0 35 1,-0.1 4,-0.7 -58,-0.1 -2,-0.2 -0.945 68.8-145.0-138.3 150.9 0.9 4.8 11.8 105 105 A V H > S+ 0 0 38 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.805 101.2 64.1 -73.5 -33.8 4.1 5.0 9.7 106 106 A E H > S+ 0 0 143 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.898 103.4 45.6 -58.3 -45.9 6.0 3.0 12.4 107 107 A D H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.793 108.8 57.9 -73.7 -27.8 4.0 0.0 11.8 108 108 A L H X S+ 0 0 0 -4,-0.7 4,-1.9 2,-0.2 5,-0.3 0.887 105.3 48.5 -69.7 -43.4 4.3 0.5 8.1 109 109 A I H X S+ 0 0 62 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.992 116.2 43.8 -56.3 -53.4 8.0 0.3 8.2 110 110 A K H X>S+ 0 0 83 -4,-2.1 4,-1.5 2,-0.2 5,-0.5 0.807 109.8 63.4 -60.6 -32.8 7.8 -2.8 10.4 111 111 A F H >X>S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 3,-1.6 0.987 111.3 28.5 -60.0 -71.2 5.1 -4.0 8.0 112 112 A I H 3<5S+ 0 0 0 -4,-1.9 8,-1.5 1,-0.3 7,-0.6 0.694 119.2 63.4 -70.9 -8.3 7.0 -4.3 4.8 113 113 A A H 3<5S+ 0 0 10 -4,-1.5 -1,-0.3 6,-0.3 -2,-0.2 0.750 121.2 16.2 -86.8 -23.7 10.1 -5.0 6.9 114 114 A E H <<5S+ 0 0 137 -3,-1.6 -2,-0.2 -4,-1.5 -3,-0.2 0.697 136.9 39.1-113.7 -37.7 8.7 -8.2 8.5 115 115 A N T <