==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-JAN-03 1NMW . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.BAYER,S.GOETTSCH,J.W.MUELLER,B.GRIEWEL,E.GUIBERMAN,L.MAYR, . 114 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 80 70.2 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 . 19 16.7 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 . 2 1.8 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 . 10 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.8 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 1 1 0 0 0 0 0 0 0 1 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 1 0 1 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 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 50 A G 0 0 100 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.3 33.1 5.1 8.8 2 51 A E - 0 0 146 89,-0.0 4,-0.1 4,-0.0 88,-0.1 -0.748 360.0-168.0-145.2 93.1 35.0 2.0 7.5 3 52 A P - 0 0 70 0, 0.0 75,-0.1 0, 0.0 3,-0.1 0.085 39.4 -99.6 -67.8-174.5 33.6 0.1 4.5 4 53 A A S S+ 0 0 77 1,-0.2 74,-1.7 73,-0.1 2,-0.3 0.597 104.1 18.7 -85.0 -12.8 34.8 -3.3 3.3 5 54 A R E +A 77 0A 140 72,-0.2 2,-0.3 2,-0.0 72,-0.2 -0.984 64.9 171.4-157.9 146.3 37.0 -1.8 0.6 6 55 A V E -A 76 0A 1 70,-1.8 70,-2.7 -2,-0.3 2,-0.4 -0.971 32.3-107.2-152.0 164.1 38.6 1.6 -0.2 7 56 A R E +A 75 0A 92 68,-0.3 106,-3.2 -2,-0.3 107,-1.2 -0.813 42.4 162.5 -99.4 134.3 41.1 3.2 -2.6 8 57 A C E - B 0 112A 0 66,-1.3 65,-2.0 -2,-0.4 2,-0.3 -0.993 26.7-142.3-150.0 154.5 44.5 4.3 -1.3 9 58 A S E -AB 72 111A 17 102,-2.1 102,-2.6 -2,-0.3 2,-0.3 -0.877 21.2-178.4-117.0 149.3 48.0 5.2 -2.6 10 59 A H E - B 0 110A 7 61,-1.0 2,-0.5 -2,-0.3 100,-0.3 -0.988 22.8-140.5-148.2 157.5 51.4 4.3 -1.1 11 60 A L E - B 0 109A 0 98,-2.0 98,-1.3 -2,-0.3 2,-0.5 -0.958 18.6-155.3-121.9 112.7 55.1 4.8 -1.5 12 61 A L E + B 0 108A 2 -2,-0.5 51,-2.1 96,-0.2 2,-0.3 -0.753 17.1 171.6 -91.8 130.2 57.4 1.8 -0.8 13 62 A V E - B 0 107A 0 94,-1.9 94,-1.5 -2,-0.5 27,-0.1 -0.734 15.9-160.9-138.4 85.6 61.0 2.5 0.2 14 63 A K E - B 0 106A 7 -2,-0.3 2,-0.3 92,-0.2 92,-0.2 -0.049 9.5-152.6 -60.2 167.8 62.8 -0.6 1.3 15 64 A H > - 0 0 24 90,-0.5 3,-1.5 14,-0.1 17,-0.3 -0.822 32.2 -94.4-137.8 175.9 66.0 -0.4 3.3 16 65 A S T 3 S+ 0 0 43 15,-2.4 16,-0.2 1,-0.3 13,-0.1 0.798 125.7 48.3 -63.2 -30.3 69.2 -2.3 4.0 17 66 A Q T 3 S+ 0 0 151 14,-0.4 -1,-0.3 3,-0.1 15,-0.1 0.297 87.0 124.8 -93.7 9.5 67.6 -3.9 7.1 18 67 A S S < S- 0 0 11 -3,-1.5 87,-0.2 11,-0.2 86,-0.1 -0.300 77.3-113.6 -67.6 153.7 64.5 -4.9 5.1 19 68 A R S S+ 0 0 160 85,-1.8 86,-0.1 1,-0.3 -1,-0.1 0.802 112.1 13.4 -57.4 -27.9 63.4 -8.5 5.1 20 69 A R S S- 0 0 135 84,-0.5 2,-3.2 85,-0.2 -1,-0.3 -0.654 70.2-160.0-152.6 88.6 64.3 -8.5 1.4 21 70 A P + 0 0 44 0, 0.0 8,-2.6 0, 0.0 2,-0.3 -0.302 67.6 81.7 -68.8 63.5 66.3 -5.5 0.1 22 71 A S + 0 0 16 -2,-3.2 5,-0.3 6,-0.2 2,-0.3 -0.911 46.0 157.2-168.6 139.3 65.2 -6.1 -3.5 23 72 A S - 0 0 24 3,-3.4 3,-0.4 -2,-0.3 41,-0.1 -0.887 61.7 -74.0-151.7-180.0 62.2 -5.4 -5.8 24 73 A W S S+ 0 0 167 -2,-0.3 40,-0.1 1,-0.2 3,-0.1 0.707 132.5 51.2 -55.7 -18.2 61.2 -5.0 -9.4 25 74 A R S S- 0 0 102 38,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.839 126.5 -5.2 -87.6 -38.5 63.0 -1.7 -9.2 26 75 A Q - 0 0 54 -3,-0.4 -3,-3.4 37,-0.3 -1,-0.2 -0.934 43.8-151.2-149.7 170.9 66.3 -3.0 -7.8 27 76 A E S S+ 0 0 162 -2,-0.3 2,-0.2 -5,-0.3 -3,-0.1 0.316 88.3 52.0-128.5 3.4 68.0 -6.1 -6.4 28 77 A K + 0 0 142 -5,-0.1 2,-0.6 0, 0.0 -6,-0.2 -0.594 62.7 176.6-144.4 78.7 70.5 -4.6 -4.0 29 78 A I + 0 0 7 -8,-2.6 -11,-0.2 -2,-0.2 -14,-0.1 -0.756 12.2 160.2 -88.9 117.4 69.0 -2.2 -1.5 30 79 A T + 0 0 101 -2,-0.6 2,-0.6 -16,-0.1 -1,-0.1 -0.011 29.3 130.2-123.1 26.8 71.5 -0.9 1.1 31 80 A R - 0 0 49 -17,-0.1 -15,-2.4 4,-0.1 -14,-0.4 -0.745 43.0-155.0 -87.7 119.9 69.6 2.2 2.1 32 81 A T > - 0 0 50 -2,-0.6 4,-3.6 -17,-0.3 5,-0.1 -0.196 41.3 -77.8 -84.9-179.9 69.3 2.5 5.9 33 82 A K H > S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 5,-0.5 0.839 131.4 56.0 -45.6 -39.3 66.7 4.3 8.1 34 83 A E H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.985 115.2 33.3 -59.1 -62.6 68.5 7.6 7.2 35 84 A E H > S+ 0 0 76 2,-0.2 4,-1.1 3,-0.2 -2,-0.2 0.821 120.1 56.8 -63.9 -31.5 68.3 7.2 3.4 36 85 A A H >X S+ 0 0 0 -4,-3.6 4,-1.8 2,-0.2 3,-1.2 0.999 114.9 31.1 -63.1 -69.9 65.0 5.5 3.8 37 86 A L H 3X S+ 0 0 56 -4,-2.5 4,-3.8 1,-0.3 5,-0.4 0.817 111.9 68.5 -59.9 -30.6 63.0 8.1 5.7 38 87 A E H 3X S+ 0 0 112 -4,-2.1 4,-1.4 -5,-0.5 -1,-0.3 0.853 105.2 41.8 -57.0 -34.8 65.1 10.7 4.0 39 88 A L H S+ 0 0 90 -4,-1.9 5,-1.9 1,-0.2 6,-1.1 0.896 113.0 49.2 -50.1 -45.7 57.2 18.6 -1.5 47 96 A I H ><5S+ 0 0 48 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.962 113.0 44.6 -59.8 -54.3 53.6 17.4 -1.5 48 97 A K H 3<5S+ 0 0 173 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.710 111.5 57.2 -63.7 -19.4 52.6 19.5 1.5 49 98 A S H 3<5S- 0 0 66 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.701 109.5-124.7 -83.6 -21.5 54.6 22.4 -0.2 50 99 A G T <<5S+ 0 0 58 -3,-1.1 -3,-0.2 -4,-1.1 -2,-0.1 0.567 86.6 103.1 87.5 9.4 52.5 22.2 -3.3 51 100 A E S - 0 0 63 -2,-0.2 4,-3.8 1,-0.1 3,-0.2 -0.989 16.6-131.2-130.1 134.6 52.6 15.3 -5.8 54 103 A F H > S+ 0 0 11 -2,-0.4 4,-2.9 1,-0.2 5,-0.3 0.832 111.8 56.6 -46.8 -36.0 52.7 11.9 -4.0 55 104 A E H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.968 113.7 36.0 -62.0 -54.8 51.4 10.4 -7.2 56 105 A S H > S+ 0 0 20 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.914 122.1 47.7 -65.8 -43.1 54.3 11.7 -9.3 57 106 A L H X S+ 0 0 4 -4,-3.8 4,-1.3 2,-0.2 5,-0.3 0.993 108.6 51.4 -60.4 -65.1 56.8 11.3 -6.5 58 107 A A H >X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 3,-1.1 0.863 109.0 53.3 -38.4 -52.2 55.8 7.7 -5.5 59 108 A S H >< S+ 0 0 31 -4,-1.8 3,-0.7 11,-0.4 -1,-0.2 0.952 111.9 42.7 -50.6 -57.9 56.1 6.6 -9.1 60 109 A Q H 3< S+ 0 0 117 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.559 131.3 28.6 -67.8 -8.3 59.7 8.0 -9.5 61 110 A F H << S+ 0 0 62 -4,-1.3 2,-1.1 -3,-1.1 -2,-0.2 0.296 85.6 121.6-133.2 5.0 60.5 6.6 -6.1 62 111 A S << - 0 0 0 -4,-2.2 5,-0.2 -3,-0.7 -49,-0.1 -0.620 34.2-177.7 -77.8 100.6 58.1 3.6 -5.8 63 112 A D + 0 0 5 -51,-2.1 -38,-0.9 -2,-1.1 -37,-0.3 0.664 66.1 75.0 -70.3 -14.9 60.4 0.6 -5.3 64 113 A C S > S- 0 0 36 -52,-0.3 3,-1.6 -41,-0.1 4,-0.1 -0.405 103.3 -99.9 -92.4 171.7 57.3 -1.6 -5.4 65 114 A S G > S+ 0 0 82 1,-0.3 3,-1.9 2,-0.1 4,-0.3 0.600 108.9 88.0 -66.4 -9.7 55.1 -2.6 -8.4 66 115 A S G > > + 0 0 9 1,-0.3 5,-2.1 2,-0.2 3,-1.9 0.810 63.0 85.1 -58.7 -29.5 52.8 0.3 -7.3 67 116 A A G X 5S+ 0 0 13 -3,-1.6 3,-1.6 3,-0.3 -1,-0.3 0.781 75.9 71.8 -42.9 -30.3 54.9 2.6 -9.5 68 117 A K G < 5S+ 0 0 180 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.938 111.4 26.5 -52.7 -50.6 52.7 1.4 -12.3 69 118 A A G X 5S- 0 0 40 -3,-1.9 3,-1.5 -4,-0.3 -1,-0.3 0.080 122.4-104.0-100.0 21.9 49.8 3.4 -10.9 70 119 A R T < 5S- 0 0 98 -3,-1.6 -11,-0.4 1,-0.3 -3,-0.3 0.865 83.8 -44.6 58.5 39.0 52.2 5.8 -9.3 71 120 A G T 3 -A 5 0A 55 -72,-0.2 3,-1.2 -2,-0.2 4,-0.3 -0.896 39.6 -86.0-117.4 146.1 39.3 -5.0 0.5 78 127 A R T 3 S+ 0 0 188 -74,-1.7 -1,-0.1 -2,-0.4 5,-0.1 -0.094 114.0 35.4 -45.1 137.4 40.2 -5.6 4.2 79 128 A G T 3 S+ 0 0 67 2,-0.3 -1,-0.2 3,-0.1 4,-0.1 0.477 95.5 91.0 93.4 3.2 42.6 -8.6 4.6 80 129 A Q S < S+ 0 0 136 -3,-1.2 2,-0.2 2,-0.1 -2,-0.1 0.895 83.9 37.9 -93.8 -54.9 44.5 -7.9 1.3 81 130 A M S S- 0 0 65 -4,-0.3 -2,-0.3 1,-0.2 5,-0.1 -0.488 107.1 -65.0 -95.1 167.4 47.4 -5.7 2.4 82 131 A Q > - 0 0 58 -2,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.044 51.2-110.7 -48.0 151.0 49.4 -5.9 5.6 83 132 A K H > S+ 0 0 174 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.942 117.6 50.5 -51.3 -57.3 47.6 -5.1 8.8 84 133 A P H > S+ 0 0 50 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.823 109.9 54.4 -53.3 -32.1 49.3 -1.8 9.5 85 134 A F H > S+ 0 0 1 -3,-0.4 4,-3.6 2,-0.2 5,-0.3 0.994 109.3 43.0 -64.7 -63.8 48.5 -0.8 5.9 86 135 A E H X S+ 0 0 14 -4,-2.1 4,-4.1 2,-0.2 5,-0.2 0.900 116.5 49.5 -48.7 -50.0 44.7 -1.4 6.1 87 136 A D H X S+ 0 0 121 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.978 116.3 39.3 -56.1 -62.0 44.5 0.2 9.5 88 137 A A H X S+ 0 0 22 -4,-2.2 4,-0.9 2,-0.2 3,-0.3 0.924 121.4 45.9 -54.1 -47.9 46.4 3.4 8.6 89 138 A S H >< S+ 0 0 0 -4,-3.6 3,-1.0 -5,-0.3 -2,-0.2 0.957 117.5 41.7 -60.2 -53.7 44.7 3.5 5.2 90 139 A F H 3< S+ 0 0 15 -4,-4.1 -1,-0.2 -5,-0.3 -2,-0.2 0.557 115.3 54.5 -71.7 -7.8 41.2 2.9 6.6 91 140 A A H 3< S+ 0 0 67 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.542 92.5 88.4-101.2 -11.3 42.1 5.2 9.5 92 141 A L S << S- 0 0 24 -3,-1.0 3,-0.1 -4,-0.9 2,-0.1 -0.555 74.1-123.9 -88.7 154.2 43.0 8.2 7.3 93 142 A R > - 0 0 187 -2,-0.2 3,-1.9 1,-0.2 19,-0.5 -0.272 50.8 -58.7 -87.5 177.2 40.6 10.8 6.0 94 143 A T T 3 S+ 0 0 107 1,-0.3 19,-0.2 17,-0.1 -1,-0.2 -0.415 129.1 5.3 -60.8 111.5 39.9 11.8 2.4 95 144 A G T 3 S+ 0 0 68 17,-2.1 -1,-0.3 -2,-0.5 2,-0.2 0.781 100.7 139.5 84.3 28.8 43.2 13.0 1.0 96 145 A E < - 0 0 94 -3,-1.9 16,-1.3 16,-0.3 2,-0.4 -0.618 41.1-142.0-103.0 163.9 45.3 12.0 4.1 97 146 A M B -C 111 0A 55 14,-0.2 2,-0.4 -2,-0.2 14,-0.3 -0.985 9.9-133.3-130.0 138.1 48.7 10.5 4.4 98 147 A S - 0 0 7 12,-3.7 3,-0.2 -2,-0.4 12,-0.2 -0.711 29.5-113.5 -90.4 136.8 50.0 7.9 6.8 99 148 A G - 0 0 45 -2,-0.4 11,-0.3 1,-0.2 -1,-0.1 0.041 63.0 -47.7 -57.8 173.8 53.4 8.5 8.5 100 149 A P - 0 0 53 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.227 62.1-158.5 -48.9 116.1 56.4 6.2 7.8 101 150 A V E -D 108 0A 21 7,-2.2 7,-3.3 -3,-0.2 2,-0.7 -0.898 4.2-149.8-107.0 114.1 55.1 2.6 8.1 102 151 A F E +D 107 0A 121 -2,-0.6 5,-0.2 5,-0.2 2,-0.2 -0.729 32.8 153.9 -85.9 113.4 57.8 -0.0 8.8 103 152 A T - 0 0 21 3,-4.0 -84,-0.2 -2,-0.7 3,-0.1 -0.752 61.3 -78.0-130.5 176.9 56.8 -3.4 7.3 104 153 A D S S+ 0 0 104 1,-0.3 -85,-1.8 -2,-0.2 -84,-0.5 0.858 132.6 43.3 -42.1 -46.8 58.4 -6.5 5.9 105 154 A S S S- 0 0 20 1,-0.2 -90,-0.5 -87,-0.2 2,-0.3 0.897 122.1-104.3 -70.2 -41.8 59.3 -4.7 2.7 106 155 A G E -B 14 0A 0 -92,-0.2 -3,-4.0 -5,-0.1 2,-0.6 -0.936 68.7 -3.2 157.6-131.3 60.4 -1.6 4.4 107 156 A I E -BD 13 102A 0 -94,-1.5 -94,-1.9 -2,-0.3 2,-0.4 -0.885 61.5-179.3-104.2 119.2 59.0 1.9 5.0 108 157 A H E -BD 12 101A 4 -7,-3.3 -7,-2.2 -2,-0.6 2,-0.5 -0.942 16.4-160.8-122.0 143.1 55.7 2.7 3.3 109 158 A I E -B 11 0A 0 -98,-1.3 -98,-2.0 -2,-0.4 2,-0.3 -0.978 17.3-166.9-120.4 121.4 53.5 5.8 3.3 110 159 A I E -B 10 0A 0 -2,-0.5 -12,-3.7 -11,-0.3 2,-0.3 -0.728 7.1-164.9-110.7 161.2 49.9 5.5 2.4 111 160 A L E -BC 9 97A 22 -102,-2.6 -102,-2.1 -14,-0.3 2,-0.5 -0.994 22.8-119.8-142.6 146.6 47.1 7.9 1.5 112 161 A R E +B 8 0A 41 -16,-1.3 -17,-2.1 -19,-0.5 -16,-0.3 -0.764 32.0 166.9 -90.9 124.6 43.3 7.6 1.3 113 162 A T 0 0 50 -106,-3.2 -105,-0.2 -2,-0.5 -1,-0.2 0.863 360.0 360.0 -99.2 -56.0 41.8 8.3 -2.2 114 163 A E 0 0 123 -107,-1.2 -108,-0.1 -20,-0.1 -2,-0.1 0.931 360.0 360.0 -77.6 360.0 38.2 7.1 -2.0