Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1iru_K.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N ASP 18.A OD1 no hydrogen 2.748 N/A TYR 3.A OH THR 139.A OG1 no hydrogen 2.782 N/A LEU 4.A N HIS 132.A O no hydrogen 3.059 N/A ILE 5.A N ALA 16.A O no hydrogen 2.952 N/A GLY 6.A N ALA 130.A O no hydrogen 2.964 N/A ILE 7.A N LEU 14.A O no hydrogen 2.710 N/A GLN 8.A N PRO 128.A O no hydrogen 2.529 N/A GLY 9.A N TYR 12.A O no hydrogen 2.809 N/A TYR 12.A OH ILE 151.A O no hydrogen 2.843 N/A VAL 13.A N ILE 183.A O no hydrogen 2.946 N/A LEU 14.A N ILE 7.A O no hydrogen 2.817 N/A VAL 15.A N ARG 181.A O no hydrogen 2.887 N/A ALA 16.A N ILE 5.A O no hydrogen 2.795 N/A SER 17.A N SER 179.A O no hydrogen 3.067 N/A SER 17.A OG ASP 18.A O no hydrogen 3.530 N/A ASP 18.A N TYR 3.A O no hydrogen 3.412 N/A VAL 20.A N ASP 18.A OD2 no hydrogen 2.911 N/A ALA 21.A N LYS 29.A O no hydrogen 3.420 N/A SER 23.A N VAL 26.A O no hydrogen 3.075 N/A VAL 26.A N SER 23.A O no hydrogen 3.194 N/A MET 28.A N ALA 21.A O no hydrogen 2.710 N/A LYS 29.A NZ ASP 31.A OD2 no hydrogen 2.886 N/A HIS 32.A N ARG 19.A O no hydrogen 2.784 N/A LYS 34.A NZ ASP 18.A O no hydrogen 3.476 N/A LYS 34.A NZ ASP 18.A OD2 no hydrogen 2.740 N/A LYS 34.A NZ VAL 20.A O no hydrogen 2.595 N/A LYS 34.A NZ HIS 32.A ND1 no hydrogen 3.349 N/A MET 35.A N ASP 33.A OD1 no hydrogen 2.749 N/A PHE 36.A N LEU 44.A O no hydrogen 2.950 N/A MET 38.A N ILE 42.A O no hydrogen 3.199 N/A GLU 40.A N GLU 74.A OE1 no hydrogen 3.346 N/A LEU 43.A N ALA 105.A O no hydrogen 2.833 N/A LEU 44.A N PHE 36.A O no hydrogen 2.856 N/A LEU 45.A N LEU 103.A O no hydrogen 2.543 N/A CYS 46.A N LYS 34.A O no hydrogen 3.084 N/A VAL 47.A N ASN 101.A O no hydrogen 2.964 N/A GLY 48.A N GLU 2.A OE1 no hydrogen 3.179 N/A GLU 49.A N HIS 99.A O no hydrogen 3.102 N/A THR 53.A N GLU 49.A O no hydrogen 3.273 N/A THR 53.A OG1 GLU 49.A O no hydrogen 3.546 N/A GLN 55.A N GLY 51.A O no hydrogen 3.141 N/A PHE 56.A N ASP 52.A O no hydrogen 3.024 N/A ALA 57.A N THR 53.A O no hydrogen 2.822 N/A GLU 58.A N VAL 54.A O no hydrogen 2.867 N/A TYR 59.A N GLN 55.A O no hydrogen 3.097 N/A TYR 59.A OH ASN 87.A OD1 no hydrogen 3.080 N/A ILE 60.A N PHE 56.A O no hydrogen 2.880 N/A GLN 61.A N ALA 57.A O no hydrogen 2.764 N/A LYS 62.A N GLU 58.A O no hydrogen 2.765 N/A ASN 63.A N TYR 59.A O no hydrogen 3.195 N/A ASN 63.A ND2 TYR 59.A O no hydrogen 2.693 N/A VAL 64.A N ILE 60.A O no hydrogen 3.084 N/A VAL 64.A N GLN 61.A O no hydrogen 2.742 N/A GLN 65.A N GLN 61.A O no hydrogen 3.064 N/A GLN 65.A NE2 MET 38.A O no hydrogen 2.986 N/A LEU 66.A N LYS 62.A O no hydrogen 2.931 N/A TYR 67.A N ASN 63.A O no hydrogen 3.324 N/A LYS 68.A N VAL 64.A O no hydrogen 3.139 N/A LYS 68.A NZ GLN 65.A OE1 no hydrogen 3.415 N/A MET 69.A N GLN 65.A O no hydrogen 3.065 N/A ARG 70.A N LEU 66.A O no hydrogen 2.972 N/A ASN 71.A N TYR 67.A O no hydrogen 3.070 N/A GLY 72.A N LYS 68.A O no hydrogen 2.725 N/A THR 78.A OG1 TYR 116.A OH no hydrogen 3.305 N/A ALA 79.A N SER 76.A OG no hydrogen 3.022 N/A ALA 80.A N SER 76.A O no hydrogen 2.943 N/A ALA 81.A N PRO 77.A O no hydrogen 3.166 N/A ASN 82.A N THR 78.A O no hydrogen 3.440 N/A ASN 82.A ND2 THR 78.A O no hydrogen 2.654 N/A PHE 83.A N ALA 80.A O no hydrogen 2.917 N/A THR 84.A N ALA 80.A O no hydrogen 2.779 N/A THR 84.A OG1 ALA 81.A O no hydrogen 3.378 N/A ARG 85.A N ALA 81.A O no hydrogen 2.923 N/A ARG 85.A NE ALA 122.A O no hydrogen 2.645 N/A ARG 85.A NH2 ALA 122.A O no hydrogen 3.521 N/A ARG 86.A N ASN 82.A O no hydrogen 3.081 N/A ARG 86.A NH1 ASP 90.A OD1 no hydrogen 2.893 N/A ASN 87.A N PHE 83.A O no hydrogen 3.064 N/A ASN 87.A ND2 PHE 83.A O no hydrogen 3.590 N/A LEU 88.A N THR 84.A O no hydrogen 3.009 N/A ALA 89.A N ARG 85.A O no hydrogen 2.847 N/A ASP 90.A N ARG 86.A O no hydrogen 2.925 N/A ASP 90.A N ASN 87.A O no hydrogen 2.961 N/A CYS 91.A N ASN 87.A O no hydrogen 2.883 N/A CYS 91.A N LEU 88.A O no hydrogen 3.275 N/A CYS 91.A SG ASN 87.A O no hydrogen 3.405 N/A SER 94.A N CYS 91.A O no hydrogen 2.975 N/A SER 94.A OG CYS 91.A O no hydrogen 2.790 N/A THR 96.A N SER 94.A OG no hydrogen 2.779 N/A THR 96.A OG1 THR 96.A O no hydrogen 2.545 N/A HIS 99.A N ASP 52.A OD2 no hydrogen 2.707 N/A ASN 101.A N VAL 47.A O no hydrogen 2.752 N/A LEU 102.A N MET 118.A O no hydrogen 3.183 N/A LEU 103.A N LEU 45.A O no hydrogen 2.738 N/A LEU 104.A N TYR 116.A O no hydrogen 2.869 N/A ALA 105.A N LEU 43.A O no hydrogen 3.061 N/A GLY 106.A N ALA 114.A O no hydrogen 2.965 N/A TYR 107.A N LYS 41.A O no hydrogen 2.810 N/A ASP 108.A N GLY 112.A O no hydrogen 3.076 N/A GLU 111.A N ASP 108.A O no hydrogen 3.244 N/A GLY 112.A N ASP 108.A O no hydrogen 2.889 N/A ALA 114.A N GLY 106.A O no hydrogen 2.845 N/A TYR 116.A N LEU 104.A O no hydrogen 2.796 N/A TYR 116.A OH THR 78.A OG1 no hydrogen 3.305 N/A TYR 117.A N ALA 125.A O no hydrogen 2.924 N/A MET 118.A N LEU 102.A O no hydrogen 2.913 N/A ASP 119.A N ALA 123.A O no hydrogen 3.213 N/A ALA 122.A N ASP 119.A O no hydrogen 2.682 N/A ALA 125.A N TYR 117.A O no hydrogen 3.186 N/A ALA 127.A N LEU 115.A O no hydrogen 2.925 N/A ALA 130.A N GLY 6.A O no hydrogen 2.962 N/A HIS 132.A N LEU 4.A O no hydrogen 2.836 N/A ALA 136.A N GLY 133.A O no hydrogen 3.105 N/A PHE 137.A N TYR 134.A O no hydrogen 2.880 N/A LEU 138.A N GLY 135.A O no hydrogen 2.887 N/A THR 139.A N ALA 136.A O no hydrogen 3.288 N/A THR 139.A OG1 TYR 3.A OH no hydrogen 2.782 N/A THR 139.A OG1 GLY 135.A O no hydrogen 2.964 N/A LEU 140.A N ALA 136.A O no hydrogen 2.902 N/A LEU 143.A N THR 139.A O no hydrogen 3.323 N/A ASP 144.A N LEU 140.A O no hydrogen 3.064 N/A ARG 145.A N SER 141.A O no hydrogen 2.933 N/A ARG 145.A NH1 ARG 145.A O no hydrogen 2.688 N/A TYR 146.A N ILE 142.A O no hydrogen 2.818 N/A TYR 147.A N LEU 143.A O no hydrogen 2.693 N/A TYR 147.A OH GLN 8.A O no hydrogen 2.716 N/A ILE 151.A N THR 148.A O no hydrogen 2.903 N/A ARG 153.A NH1 ASP 184.A OD2 no hydrogen 3.324 N/A ARG 153.A NH2 ASP 11.A OD1 no hydrogen 2.909 N/A ALA 156.A N SER 152.A O no hydrogen 2.800 N/A VAL 157.A N ARG 153.A O no hydrogen 3.282 N/A GLU 158.A N ARG 155.A O no hydrogen 2.621 N/A LEU 159.A N ARG 155.A O no hydrogen 2.739 N/A LEU 160.A N ALA 156.A O no hydrogen 2.812 N/A ARG 161.A N VAL 157.A O no hydrogen 3.163 N/A LYS 162.A N GLU 158.A O no hydrogen 2.907 N/A CYS 163.A N LEU 159.A O no hydrogen 3.115 N/A CYS 163.A SG THR 139.A O no hydrogen 3.828 N/A CYS 163.A SG LEU 159.A O no hydrogen 3.533 N/A LEU 164.A N LEU 160.A O no hydrogen 2.827 N/A GLU 165.A N ARG 161.A O no hydrogen 3.044 N/A GLU 166.A N LYS 162.A O no hydrogen 2.936 N/A LEU 167.A N CYS 163.A O no hydrogen 3.241 N/A GLN 168.A NE2 LEU 164.A O no hydrogen 3.529 N/A GLN 168.A NE2 LEU 175.A O no hydrogen 2.883 N/A LYS 169.A N GLU 165.A O no hydrogen 3.073 N/A LYS 169.A N GLU 166.A O no hydrogen 2.913 N/A ARG 170.A N GLU 166.A O no hydrogen 2.771 N/A PHE 178.A N ILE 194.A O no hydrogen 3.121 N/A ARG 181.A N VAL 15.A O no hydrogen 2.948 N/A ILE 182.A N HIS 189.A O no hydrogen 2.932 N/A ILE 183.A N VAL 13.A O no hydrogen 2.966 N/A ASP 184.A N GLY 187.A O no hydrogen 3.135 N/A ASN 186.A N ASP 184.A OD1 no hydrogen 2.561 N/A GLY 187.A N ASP 184.A O no hydrogen 2.847 N/A HIS 189.A N ILE 182.A O no hydrogen 2.846 N/A HIS 189.A NE2 ASP 184.A OD1 no hydrogen 3.001 N/A ILE 194.A N PHE 178.A O no hydrogen 3.343 N/A LYS 198.A N PHE 196.A O no hydrogen 2.597 N/A