Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1iru_2.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N ASN 104.A OD1 no hydrogen 2.675 N/A THR 1.A N PRO 105.A O no hydrogen 2.950 N/A THR 1.A OG1 ASP 59.A OD1 no hydrogen 2.972 N/A THR 1.A OG1 ASP 59.A OD2 no hydrogen 2.955 N/A GLN 2.A NE2 MET 103.A O no hydrogen 2.901 N/A GLN 2.A NE2 ASN 104.A OD1 no hydrogen 3.664 N/A MET 5.A N ASP 56.A OD1 no hydrogen 2.869 N/A THR 7.A N SER 29.A O no hydrogen 2.667 N/A GLY 8.A N GLY 55.A O no hydrogen 2.876 N/A THR 9.A OG1 SER 10.A OG no hydrogen 3.141 N/A THR 9.A OG1 ASP 180.A OD2 no hydrogen 2.524 N/A SER 10.A N THR 9.A OG1 no hydrogen 2.331 N/A SER 10.A OG THR 9.A OG1 no hydrogen 3.141 N/A VAL 11.A N THR 139.A OG1 no hydrogen 2.937 N/A LEU 12.A N ALA 23.A O no hydrogen 2.946 N/A GLY 13.A N LEU 137.A O no hydrogen 2.781 N/A VAL 14.A N VAL 21.A O no hydrogen 3.087 N/A LYS 15.A N PRO 135.A O no hydrogen 3.135 N/A LYS 15.A NZ SER 120.A O no hydrogen 3.244 N/A PHE 16.A N GLY 19.A O no hydrogen 2.860 N/A GLU 17.A N LEU 160.A O no hydrogen 2.922 N/A GLY 19.A N PHE 16.A O no hydrogen 3.187 N/A VAL 20.A N VAL 192.A O no hydrogen 2.986 N/A VAL 21.A N VAL 14.A O no hydrogen 2.961 N/A ILE 22.A N ALA 190.A O no hydrogen 2.762 N/A ALA 23.A N LEU 12.A O no hydrogen 3.019 N/A ALA 24.A N GLN 188.A O no hydrogen 3.365 N/A MET 26.A N ARG 186.A O no hydrogen 2.840 N/A LEU 27.A N ASP 25.A OD2 no hydrogen 3.152 N/A GLY 28.A N PHE 36.A O no hydrogen 2.685 N/A SER 29.A N THR 7.A O no hydrogen 2.655 N/A TYR 30.A N LEU 33.A O no hydrogen 2.972 N/A LEU 33.A N TYR 30.A O no hydrogen 3.423 N/A ARG 35.A N GLY 28.A O no hydrogen 3.307 N/A PHE 36.A N GLY 28.A O no hydrogen 3.027 N/A ILE 39.A N MET 26.A O no hydrogen 3.076 N/A SER 40.A OG ILE 42.A O no hydrogen 3.207 N/A ARG 41.A NE ALA 53.A O no hydrogen 3.377 N/A ARG 41.A NH1 ASP 25.A O no hydrogen 3.057 N/A ARG 41.A NH2 SER 10.A O no hydrogen 3.028 N/A ARG 41.A NH2 ALA 53.A O no hydrogen 3.235 N/A ILE 42.A N SER 40.A OG no hydrogen 3.370 N/A MET 43.A N LEU 51.A O no hydrogen 2.779 N/A VAL 45.A N THR 49.A O no hydrogen 2.895 N/A THR 49.A OG1 VAL 45.A O no hydrogen 2.627 N/A MET 50.A N GLY 113.A O no hydrogen 2.610 N/A LEU 51.A N MET 43.A O no hydrogen 2.847 N/A GLY 52.A N VAL 111.A O no hydrogen 2.832 N/A ALA 53.A N ARG 41.A O no hydrogen 3.098 N/A SER 54.A N THR 109.A O no hydrogen 2.868 N/A SER 54.A OG THR 9.A O no hydrogen 2.537 N/A SER 54.A OG THR 139.A OG1 no hydrogen 2.741 N/A GLY 55.A N GLY 8.A O no hydrogen 2.951 N/A ASP 56.A N TRP 107.A O no hydrogen 2.747 N/A TYR 57.A N VAL 6.A O no hydrogen 2.879 N/A TYR 57.A OH SER 40.A O no hydrogen 2.728 N/A ASP 59.A N ASP 56.A OD2 no hydrogen 2.961 N/A PHE 60.A N ASP 56.A O no hydrogen 3.041 N/A GLN 61.A N TYR 57.A O no hydrogen 2.827 N/A TYR 62.A N ALA 58.A O no hydrogen 3.130 N/A LEU 63.A N ASP 59.A O no hydrogen 2.906 N/A LYS 64.A N PHE 60.A O no hydrogen 2.903 N/A GLN 65.A N GLN 61.A O no hydrogen 2.857 N/A GLN 65.A N TYR 62.A O no hydrogen 2.852 N/A VAL 66.A N TYR 62.A O no hydrogen 2.939 N/A LEU 67.A N LEU 63.A O no hydrogen 2.776 N/A GLY 68.A N LYS 64.A O no hydrogen 3.103 N/A GLN 69.A N GLN 65.A O no hydrogen 3.146 N/A MET 70.A N VAL 66.A O no hydrogen 3.050 N/A VAL 71.A N LEU 67.A O no hydrogen 3.072 N/A ILE 72.A N GLY 68.A O no hydrogen 2.958 N/A ASP 73.A N GLN 69.A O no hydrogen 2.745 N/A GLU 74.A N MET 70.A O no hydrogen 2.996 N/A GLU 75.A N VAL 71.A O no hydrogen 2.873 N/A LEU 76.A N ILE 72.A O no hydrogen 2.995 N/A LEU 76.A N ASP 73.A O no hydrogen 3.087 N/A LEU 77.A N GLU 74.A O no hydrogen 3.053 N/A GLY 78.A N GLU 75.A O no hydrogen 3.131 N/A HIS 81.A N ASP 79.A OD2 no hydrogen 3.015 N/A TYR 83.A N GLU 74.A OE1 no hydrogen 2.647 N/A ALA 87.A N SER 84.A OG no hydrogen 3.220 N/A ILE 88.A N SER 84.A O no hydrogen 3.042 N/A HIS 89.A N PRO 85.A O no hydrogen 2.961 N/A HIS 89.A NE2 TYR 124.A O no hydrogen 3.025 N/A SER 90.A N ARG 86.A O no hydrogen 2.747 N/A TRP 91.A N ALA 87.A O no hydrogen 2.890 N/A LEU 92.A N ILE 88.A O no hydrogen 2.984 N/A THR 93.A N HIS 89.A O no hydrogen 3.160 N/A THR 93.A OG1 HIS 89.A O no hydrogen 2.695 N/A ARG 94.A N SER 90.A O no hydrogen 3.064 N/A ALA 95.A N TRP 91.A O no hydrogen 2.796 N/A MET 96.A N LEU 92.A O no hydrogen 2.761 N/A TYR 97.A N THR 93.A O no hydrogen 2.986 N/A SER 98.A N ARG 94.A O no hydrogen 2.824 N/A ARG 99.A N ALA 95.A O no hydrogen 3.059 N/A ARG 99.A NH1 ASN 104.A O no hydrogen 2.692 N/A ARG 100.A N MET 96.A O no hydrogen 3.042 N/A ARG 100.A NH1 SER 101.A OG no hydrogen 2.856 N/A SER 101.A N TYR 97.A O no hydrogen 2.881 N/A SER 101.A OG TYR 97.A O no hydrogen 3.119 N/A LYS 102.A N ARG 99.A O no hydrogen 3.157 N/A MET 103.A N ARG 100.A O no hydrogen 3.030 N/A ASN 104.A N ARG 99.A O no hydrogen 3.086 N/A TRP 107.A N ASP 59.A OD2 no hydrogen 2.829 N/A ASN 108.A N LEU 106.A O no hydrogen 2.785 N/A THR 109.A N SER 54.A O no hydrogen 3.178 N/A MET 110.A N VAL 125.A O no hydrogen 2.781 N/A VAL 111.A N GLY 52.A O no hydrogen 2.784 N/A ILE 112.A N GLY 123.A O no hydrogen 2.702 N/A GLY 113.A N MET 50.A O no hydrogen 2.718 N/A GLY 114.A N PHE 121.A O no hydrogen 2.721 N/A TYR 115.A N SER 48.A O no hydrogen 2.973 N/A ALA 116.A N GLU 119.A O no hydrogen 3.099 N/A SER 120.A OG PHE 16.A O no hydrogen 3.232 N/A SER 120.A OG GLY 19.A O no hydrogen 3.104 N/A PHE 121.A N GLY 114.A O no hydrogen 2.559 N/A GLY 123.A N ILE 112.A O no hydrogen 2.829 N/A TYR 124.A N TYR 132.A O no hydrogen 2.889 N/A TYR 124.A OH ASP 126.A OD1 no hydrogen 3.014 N/A VAL 125.A N MET 110.A O no hydrogen 3.056 N/A ASP 126.A N VAL 130.A O no hydrogen 2.963 N/A GLY 129.A N ASP 126.A O no hydrogen 3.400 N/A TYR 132.A N TYR 124.A O no hydrogen 3.322 N/A ALA 134.A N LEU 122.A O no hydrogen 3.335 N/A SER 136.A OG GLN 147.A OE1 no hydrogen 2.828 N/A LEU 137.A N GLY 13.A O no hydrogen 2.617 N/A THR 139.A N VAL 11.A O no hydrogen 3.014 N/A THR 139.A OG1 SER 54.A OG no hydrogen 2.741 N/A ALA 143.A N GLY 140.A O no hydrogen 3.143 N/A TYR 144.A N TYR 141.A O no hydrogen 2.688 N/A LEU 145.A N TYR 141.A O no hydrogen 3.042 N/A ALA 146.A N GLY 142.A O no hydrogen 2.830 N/A GLN 147.A N GLY 142.A O no hydrogen 2.961 N/A GLN 147.A NE2 SER 136.A O no hydrogen 3.133 N/A LEU 149.A N ALA 146.A O no hydrogen 2.823 N/A LEU 150.A N ALA 146.A O no hydrogen 3.012 N/A ARG 151.A N GLN 147.A O no hydrogen 3.079 N/A GLU 152.A N PRO 148.A O no hydrogen 3.080 N/A VAL 153.A N LEU 149.A O no hydrogen 3.042 N/A LEU 154.A N LEU 150.A O no hydrogen 3.074 N/A GLU 155.A N ARG 151.A O no hydrogen 2.779 N/A LYS 156.A N VAL 153.A O no hydrogen 3.150 N/A SER 161.A N GLU 164.A OE1 no hydrogen 3.042 N/A SER 161.A OG THR 163.A OG1 no hydrogen 2.954 N/A THR 163.A OG1 SER 161.A OG no hydrogen 2.954 N/A GLU 164.A N SER 161.A OG no hydrogen 3.083 N/A ALA 165.A N SER 161.A O no hydrogen 2.857 N/A ARG 166.A N GLN 162.A O no hydrogen 3.098 N/A ARG 166.A NH1 GLU 200.A OE1 no hydrogen 2.638 N/A ARG 166.A NH1 GLU 200.A OE2 no hydrogen 2.784 N/A ARG 166.A NH2 GLU 200.A OE2 no hydrogen 2.448 N/A ASP 167.A N THR 163.A O no hydrogen 3.075 N/A LEU 168.A N GLU 164.A O no hydrogen 3.192 N/A VAL 169.A N ALA 165.A O no hydrogen 2.971 N/A GLU 170.A N ARG 166.A O no hydrogen 3.225 N/A ARG 171.A N ASP 167.A O no hydrogen 3.127 N/A CYS 172.A N LEU 168.A O no hydrogen 2.896 N/A CYS 172.A SG ALA 146.A O no hydrogen 4.045 N/A CYS 172.A SG LEU 168.A O no hydrogen 3.468 N/A MET 173.A N VAL 169.A O no hydrogen 2.755 N/A ARG 174.A N ARG 171.A O no hydrogen 3.240 N/A ARG 174.A NE GLU 206.A O no hydrogen 2.823 N/A VAL 175.A N ARG 171.A O no hydrogen 3.175 N/A LEU 176.A N CYS 172.A O no hydrogen 2.843 N/A TYR 178.A N ARG 174.A O no hydrogen 2.947 N/A ARG 179.A N VAL 175.A O no hydrogen 2.971 N/A ARG 179.A N LEU 176.A O no hydrogen 3.227 N/A ASP 180.A N LEU 176.A O no hydrogen 2.732 N/A ARG 182.A N ASP 180.A OD1 no hydrogen 2.581 N/A ARG 182.A NE GLY 31.A O no hydrogen 2.895 N/A SER 183.A N ASP 180.A O no hydrogen 3.292 N/A SER 183.A OG LEU 176.A O no hydrogen 3.338 N/A SER 183.A OG ASP 180.A O no hydrogen 2.818 N/A TYR 184.A N ASP 25.A OD1 no hydrogen 2.878 N/A ASN 185.A ND2 THR 205.A O no hydrogen 3.386 N/A ARG 186.A N TYR 184.A O no hydrogen 2.762 N/A PHE 187.A N LEU 203.A O no hydrogen 3.265 N/A GLN 188.A N ALA 24.A O no hydrogen 3.200 N/A GLN 188.A NE2 SER 40.A OG no hydrogen 2.730 N/A ALA 190.A N ILE 22.A O no hydrogen 2.736 N/A THR 191.A N GLU 198.A O no hydrogen 2.744 N/A VAL 192.A N VAL 20.A O no hydrogen 2.852 N/A THR 193.A N GLY 196.A O no hydrogen 2.902 N/A GLY 196.A N THR 193.A O no hydrogen 2.530 N/A GLU 198.A N THR 191.A O no hydrogen 2.854 N/A GLU 200.A N THR 189.A O no hydrogen 2.724 N/A LEU 203.A N PHE 187.A O no hydrogen 2.921 N/A SER 204.A OG ASN 185.A O no hydrogen 3.222 N/A SER 204.A OG LEU 203.A O no hydrogen 2.794 N/A THR 205.A N ASN 185.A OD1 no hydrogen 3.097 N/A ASN 208.A N TYR 178.A OH no hydrogen 2.617 N/A TRP 209.A NE1 THR 207.A OG1 no hydrogen 3.177 N/A ASP 210.A N ASN 208.A OD1 no hydrogen 3.275 N/A ALA 212.A N TRP 209.A O no hydrogen 3.071 N/A MET 214.A N ILE 211.A O no hydrogen 2.921 N/A