Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1iru_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ASN 1.A O no hydrogen 3.020 N/A VAL 9.A N ASP 6.A O no hydrogen 3.035 N/A SER 11.A N ARG 15.A O no hydrogen 2.906 N/A SER 11.A OG GLN 13.A OE1 no hydrogen 3.423 N/A SER 11.A OG ARG 15.A O no hydrogen 3.498 N/A GLN 13.A N SER 11.A OG no hydrogen 3.113 N/A GLY 14.A N SER 11.A O no hydrogen 2.947 N/A ARG 15.A NE GLU 20.A OE2 no hydrogen 2.678 N/A ARG 15.A NH2 GLU 20.A OE1 no hydrogen 2.672 N/A ARG 15.A NH2 GLU 20.A OE2 no hydrogen 3.250 N/A GLN 18.A NE2 ASP 4.A O no hydrogen 2.595 N/A GLU 20.A N ILE 16.A O no hydrogen 3.185 N/A TYR 21.A N HIS 17.A O no hydrogen 2.674 N/A ALA 22.A N GLN 18.A O no hydrogen 2.995 N/A MET 23.A N ILE 19.A O no hydrogen 3.031 N/A GLU 24.A N GLU 20.A O no hydrogen 3.141 N/A GLU 24.A N TYR 21.A O no hydrogen 2.816 N/A ALA 25.A N ALA 22.A O no hydrogen 2.847 N/A VAL 26.A N MET 23.A O no hydrogen 3.015 N/A LYS 27.A NZ GLU 24.A OE2 no hydrogen 3.066 N/A GLN 28.A N GLU 24.A O no hydrogen 3.242 N/A GLY 29.A N ALA 25.A O no hydrogen 3.429 N/A SER 30.A OG LEU 46.A O no hydrogen 3.040 N/A THR 32.A N ILE 158.A O no hydrogen 2.938 N/A THR 32.A OG1 VAL 44.A O no hydrogen 2.883 N/A THR 32.A OG1 SER 70.A OG no hydrogen 3.138 N/A VAL 33.A N VAL 44.A O no hydrogen 2.652 N/A GLY 34.A N MET 156.A O no hydrogen 2.610 N/A LEU 35.A N VAL 42.A O no hydrogen 2.957 N/A SER 37.A N HIS 40.A O no hydrogen 2.786 N/A SER 37.A OG THR 39.A OG1 no hydrogen 3.255 N/A SER 37.A OG HIS 40.A O no hydrogen 3.523 N/A LYS 38.A NZ GLU 178.A OE1 no hydrogen 3.189 N/A THR 39.A N SER 37.A OG no hydrogen 2.841 N/A THR 39.A OG1 SER 37.A OG no hydrogen 3.255 N/A HIS 40.A N SER 37.A OG no hydrogen 2.774 N/A ALA 41.A N VAL 212.A O no hydrogen 2.791 N/A VAL 42.A N LEU 35.A O no hydrogen 2.714 N/A LEU 43.A N GLY 210.A O no hydrogen 2.706 N/A VAL 44.A N VAL 33.A O no hydrogen 2.761 N/A ALA 45.A N SER 208.A O no hydrogen 2.865 N/A LEU 46.A N ALA 31.A O no hydrogen 3.252 N/A LYS 47.A N ASN 206.A O no hydrogen 2.798 N/A LYS 47.A NZ ASP 222.A OD1 no hydrogen 2.910 N/A ARG 48.A NH1 GLN 28.A O no hydrogen 2.861 N/A ALA 54.A N SER 51.A O no hydrogen 3.382 N/A HIS 56.A ND1 LYS 47.A O no hydrogen 3.333 N/A GLN 57.A N ARG 48.A O no hydrogen 2.949 N/A LYS 59.A NZ SER 30.A O no hydrogen 3.511 N/A LYS 59.A NZ ILE 71.A O no hydrogen 3.195 N/A LEU 61.A N ILE 69.A O no hydrogen 2.671 N/A VAL 63.A N ILE 67.A O no hydrogen 2.961 N/A ASP 64.A N ILE 67.A O no hydrogen 2.986 N/A HIS 66.A N HIS 66.A ND1 no hydrogen 2.879 N/A HIS 66.A NE2 LEU 100.A O no hydrogen 2.792 N/A ILE 67.A N ASP 64.A O no hydrogen 2.779 N/A GLY 68.A N ALA 132.A O no hydrogen 3.044 N/A ILE 69.A N LEU 61.A O no hydrogen 2.831 N/A SER 70.A N LEU 130.A O no hydrogen 3.069 N/A SER 70.A OG THR 32.A OG1 no hydrogen 3.138 N/A SER 70.A OG LEU 130.A O no hydrogen 3.562 N/A ILE 71.A N LYS 59.A O no hydrogen 2.801 N/A LEU 74.A N GLY 126.A O no hydrogen 2.745 N/A ALA 78.A N LEU 74.A O no hydrogen 3.121 N/A ARG 79.A N THR 75.A O no hydrogen 2.963 N/A LEU 80.A N ALA 76.A O no hydrogen 3.168 N/A LEU 81.A N ASP 77.A O no hydrogen 3.074 N/A CYS 82.A N ALA 78.A O no hydrogen 2.704 N/A ASN 83.A N ARG 79.A O no hydrogen 2.937 N/A PHE 84.A N LEU 80.A O no hydrogen 2.982 N/A MET 85.A N LEU 81.A O no hydrogen 2.840 N/A ARG 86.A N CYS 82.A O no hydrogen 2.736 N/A ARG 86.A NE HIS 62.A O no hydrogen 3.032 N/A ARG 86.A NH2 HIS 62.A O no hydrogen 3.121 N/A GLN 87.A N ASN 83.A O no hydrogen 2.955 N/A GLN 87.A NE2 ASP 91.A OD1 no hydrogen 2.724 N/A GLU 88.A N PHE 84.A O no hydrogen 2.868 N/A CYS 89.A N MET 85.A O no hydrogen 3.177 N/A CYS 89.A SG MET 85.A O no hydrogen 3.125 N/A LEU 90.A N ARG 86.A O no hydrogen 2.947 N/A ASP 91.A N GLN 87.A O no hydrogen 2.955 N/A SER 92.A N GLU 88.A O no hydrogen 3.241 N/A SER 92.A OG ARG 98.A O no hydrogen 3.325 N/A ARG 93.A N CYS 89.A O no hydrogen 3.152 N/A ARG 93.A NE ASP 64.A OD1 no hydrogen 3.250 N/A ARG 93.A NE ASP 64.A OD2 no hydrogen 2.795 N/A ARG 93.A NH2 ASP 64.A OD2 no hydrogen 3.050 N/A PHE 94.A N LEU 90.A O no hydrogen 3.001 N/A VAL 95.A N ASP 91.A O no hydrogen 2.892 N/A PHE 96.A N SER 92.A O no hydrogen 2.740 N/A ASP 97.A N ARG 93.A O no hydrogen 2.704 N/A VAL 102.A N ASP 135.A OD2 no hydrogen 3.157 N/A LEU 105.A N PRO 101.A O no hydrogen 3.071 N/A VAL 106.A N VAL 102.A O no hydrogen 3.041 N/A SER 107.A N SER 103.A O no hydrogen 3.096 N/A SER 107.A OG TYR 150.A OH no hydrogen 3.167 N/A LEU 108.A N ARG 104.A O no hydrogen 3.244 N/A LEU 108.A N LEU 105.A O no hydrogen 3.055 N/A ILE 109.A N LEU 105.A O no hydrogen 3.115 N/A GLY 110.A N VAL 106.A O no hydrogen 2.949 N/A SER 111.A N SER 107.A O no hydrogen 2.955 N/A SER 111.A OG SER 107.A O no hydrogen 3.351 N/A LYS 112.A N LEU 108.A O no hydrogen 2.743 N/A THR 113.A N ILE 109.A O no hydrogen 2.816 N/A THR 113.A OG1 ILE 109.A O no hydrogen 2.621 N/A GLN 114.A N SER 111.A O no hydrogen 3.305 N/A GLN 114.A NE2 GLN 118.A OE1 no hydrogen 2.874 N/A THR 117.A N GLN 114.A O no hydrogen 2.852 N/A THR 117.A OG1 GLN 114.A O no hydrogen 2.696 N/A GLN 118.A N ILE 115.A O no hydrogen 2.963 N/A ARG 122.A N ARG 119.A O no hydrogen 3.086 N/A ARG 123.A NE PRO 124.A O no hydrogen 3.437 N/A ARG 123.A NH2 ASP 77.A OD2 no hydrogen 2.649 N/A GLY 126.A N ASP 77.A OD2 no hydrogen 2.614 N/A GLY 128.A N ALA 72.A O no hydrogen 2.832 N/A LEU 129.A N THR 144.A O no hydrogen 3.004 N/A LEU 130.A N SER 70.A O no hydrogen 3.174 N/A ILE 131.A N PHE 142.A O no hydrogen 2.768 N/A ALA 132.A N GLY 68.A O no hydrogen 3.038 N/A GLY 133.A N HIS 140.A O no hydrogen 3.106 N/A TYR 134.A N HIS 66.A O no hydrogen 3.027 N/A ASP 135.A N GLY 138.A O no hydrogen 3.107 N/A MET 137.A N ASP 135.A OD1 no hydrogen 2.761 N/A GLY 138.A N ASP 135.A O no hydrogen 2.726 N/A HIS 140.A N GLY 133.A O no hydrogen 2.854 N/A HIS 140.A NE2 ASP 135.A OD1 no hydrogen 2.638 N/A PHE 142.A N ILE 131.A O no hydrogen 2.882 N/A GLN 143.A N PHE 151.A O no hydrogen 2.894 N/A THR 144.A N LEU 129.A O no hydrogen 3.003 N/A CYS 145.A N ASN 149.A O no hydrogen 3.094 N/A CYS 145.A SG GLN 143.A OE1 no hydrogen 3.565 N/A PHE 151.A N GLN 143.A O no hydrogen 2.664 N/A CYS 153.A N ILE 141.A O no hydrogen 2.722 N/A CYS 153.A SG PHE 151.A O no hydrogen 3.620 N/A MET 156.A N GLY 34.A O no hydrogen 2.576 N/A SER 157.A OG THR 32.A O no hydrogen 2.374 N/A ILE 158.A N THR 32.A O no hydrogen 3.154 N/A ALA 160.A N GLY 29.A O no hydrogen 2.899 N/A SER 162.A N GLY 159.A O no hydrogen 3.421 N/A SER 162.A OG GLY 159.A O no hydrogen 2.645 N/A SER 164.A N ARG 161.A O no hydrogen 3.422 N/A SER 164.A OG GLU 194.A O no hydrogen 3.495 N/A ARG 166.A N SER 162.A O no hydrogen 2.888 N/A ARG 166.A NE SER 157.A O no hydrogen 3.142 N/A ARG 166.A NH2 SER 157.A O no hydrogen 3.512 N/A THR 167.A N GLN 163.A O no hydrogen 3.111 N/A THR 167.A OG1 GLN 163.A O no hydrogen 2.913 N/A THR 167.A OG1 GLN 163.A OE1 no hydrogen 3.427 N/A TYR 168.A N SER 164.A O no hydrogen 2.900 N/A TYR 168.A OH HIS 187.A ND1 no hydrogen 2.837 N/A LEU 169.A N ALA 165.A O no hydrogen 2.888 N/A GLU 170.A N ARG 166.A O no hydrogen 2.799 N/A ARG 171.A N THR 167.A O no hydrogen 3.254 N/A ARG 171.A N TYR 168.A O no hydrogen 3.243 N/A HIS 172.A N TYR 168.A O no hydrogen 3.313 N/A HIS 172.A N LEU 169.A O no hydrogen 3.214 N/A GLU 175.A N HIS 172.A O no hydrogen 3.050 N/A GLU 178.A N GLU 175.A O no hydrogen 3.327 N/A CYS 179.A N PHE 176.A O no hydrogen 2.703 N/A CYS 179.A SG GLU 175.A O no hydrogen 3.282 N/A ASN 180.A N GLU 183.A OE1 no hydrogen 3.204 N/A GLU 183.A N ASN 180.A O no hydrogen 2.936 N/A LEU 184.A N ASN 180.A O no hydrogen 3.070 N/A VAL 185.A N LEU 181.A O no hydrogen 2.836 N/A LYS 186.A N ASN 182.A O no hydrogen 3.099 N/A HIS 187.A N GLU 183.A O no hydrogen 2.991 N/A HIS 187.A ND1 TYR 168.A OH no hydrogen 2.837 N/A GLY 188.A N LEU 184.A O no hydrogen 3.108 N/A LEU 189.A N VAL 185.A O no hydrogen 2.757 N/A ARG 190.A N LYS 186.A O no hydrogen 2.613 N/A ARG 190.A NH2 LEU 233.A O no hydrogen 3.443 N/A ALA 191.A N HIS 187.A O no hydrogen 2.923 N/A LEU 192.A N GLY 188.A O no hydrogen 2.994 N/A ARG 193.A N LEU 189.A O no hydrogen 3.112 N/A ARG 193.A NH1 GLU 234.A O no hydrogen 3.105 N/A ARG 193.A NH2 ASP 201.A OD2 no hydrogen 3.353 N/A GLU 194.A N ALA 191.A O no hydrogen 3.054 N/A THR 195.A N LEU 192.A O no hydrogen 2.847 N/A THR 195.A OG1 LEU 192.A O no hydrogen 2.822 N/A LEU 196.A N ARG 193.A O no hydrogen 3.171 N/A ASN 206.A N THR 203.A O no hydrogen 3.251 N/A ASN 206.A ND2 THR 203.A O no hydrogen 2.614 N/A SER 208.A N ALA 45.A O no hydrogen 3.011 N/A SER 208.A OG ASP 222.A OD1 no hydrogen 2.691 N/A ILE 209.A N TYR 221.A O no hydrogen 3.180 N/A GLY 210.A N LEU 43.A O no hydrogen 2.641 N/A ILE 211.A N THR 219.A O no hydrogen 2.965 N/A VAL 212.A N ALA 41.A O no hydrogen 3.159 N/A GLY 213.A N LEU 216.A O no hydrogen 2.811 N/A LYS 214.A N THR 39.A O no hydrogen 3.037 N/A LEU 216.A N GLY 213.A O no hydrogen 2.568 N/A PHE 218.A N ASN 65.A O no hydrogen 2.909 N/A THR 219.A N ILE 211.A O no hydrogen 2.815 N/A THR 219.A OG1 GLU 217.A O no hydrogen 2.751 N/A TYR 221.A N ILE 209.A O no hydrogen 2.946 N/A VAL 226.A N ASP 223.A O no hydrogen 2.883 N/A SER 227.A N ASP 224.A O no hydrogen 2.895 N/A SER 227.A OG ASP 224.A O no hydrogen 3.288 N/A PHE 229.A N VAL 226.A O no hydrogen 3.000 N/A LEU 230.A N VAL 226.A O no hydrogen 3.155 N/A GLU 231.A N SER 227.A O no hydrogen 2.959 N/A