Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ire_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PRO 152.A O no hydrogen 3.246 N/A MET 1.A N GLY 154.A O no hydrogen 2.708 N/A ASP 6.A N GLY 3.A O no hydrogen 3.210 N/A VAL 7.A N TYR 5.A O no hydrogen 2.809 N/A THR 10.A N VAL 7.A O no hydrogen 2.854 N/A THR 10.A OG1 VAL 7.A O no hydrogen 3.232 N/A ARG 26.A N GLU 30.A OE1 no hydrogen 2.786 N/A ARG 26.A NE GLU 30.A OE2 no hydrogen 3.013 N/A ARG 26.A NH2 GLU 30.A OE2 no hydrogen 3.326 N/A GLU 30.A N ALA 27.A O no hydrogen 3.010 N/A LYS 31.A N GLU 28.A O no hydrogen 3.099 N/A LYS 31.A NZ GLU 28.A OE2 no hydrogen 3.043 N/A VAL 32.A N GLU 28.A O no hydrogen 3.317 N/A ALA 33.A N TRP 29.A O no hydrogen 2.888 N/A PHE 34.A N GLU 30.A O no hydrogen 2.911 N/A ALA 35.A N LYS 31.A O no hydrogen 2.962 N/A MET 36.A N VAL 32.A O no hydrogen 3.011 N/A MET 36.A N ALA 33.A O no hydrogen 3.253 N/A PHE 37.A N PHE 34.A O no hydrogen 3.065 N/A ALA 39.A N ALA 35.A O no hydrogen 3.473 N/A THR 40.A N MET 36.A O no hydrogen 2.867 N/A THR 40.A OG1 MET 36.A O no hydrogen 2.827 N/A THR 40.A OG1 PHE 37.A O no hydrogen 3.404 N/A PHE 41.A N PHE 37.A O no hydrogen 3.094 N/A ARG 42.A N PRO 38.A O no hydrogen 2.946 N/A ALA 43.A N ALA 39.A O no hydrogen 3.099 N/A GLY 44.A N PHE 41.A O no hydrogen 3.085 N/A PHE 45.A N THR 40.A O no hydrogen 2.933 N/A GLY 47.A N GLU 50.A OE1 no hydrogen 2.948 N/A PHE 51.A N GLY 47.A O no hydrogen 2.935 N/A ARG 52.A N LEU 48.A O no hydrogen 3.124 N/A PHE 53.A N ASP 49.A O no hydrogen 3.108 N/A GLY 54.A N GLU 50.A O no hydrogen 2.991 N/A GLU 56.A N ARG 52.A O no hydrogen 2.990 N/A GLN 57.A N PHE 53.A O no hydrogen 3.160 N/A GLN 57.A NE2 PHE 53.A O no hydrogen 3.090 N/A GLN 57.A NE2 HIS 78.A NE2 no hydrogen 3.500 N/A MET 58.A N ILE 55.A O no hydrogen 3.060 N/A TYR 63.A N ASN 59.A O no hydrogen 2.842 N/A LEU 64.A N PRO 60.A O no hydrogen 2.925 N/A SER 66.A N GLU 62.A O no hydrogen 2.965 N/A SER 66.A OG GLU 62.A O no hydrogen 2.750 N/A SER 66.A OG HIS 71.A NE2 no hydrogen 3.035 N/A TRP 70.A N PRO 67.A O no hydrogen 2.910 N/A TRP 70.A NE1 GLU 62.A OE1 no hydrogen 3.021 N/A HIS 71.A N TYR 68.A O no hydrogen 2.922 N/A TRP 72.A NE1 TYR 68.A OH no hydrogen 3.051 N/A ILE 73.A N TYR 69.A O no hydrogen 3.207 N/A ARG 74.A N TRP 70.A O no hydrogen 2.978 N/A ARG 74.A NE GLU 62.A OE1 no hydrogen 2.756 N/A ARG 74.A NH2 GLU 62.A OE1 no hydrogen 3.446 N/A ARG 74.A NH2 GLU 62.A OE2 no hydrogen 2.897 N/A THR 75.A N HIS 71.A O no hydrogen 3.132 N/A THR 75.A OG1 PHE 51.A O no hydrogen 2.774 N/A TYR 76.A N TRP 72.A O no hydrogen 3.059 N/A TYR 76.A OH ALA 33.A O no hydrogen 2.762 N/A ILE 77.A N ILE 73.A O no hydrogen 3.049 N/A HIS 78.A N ARG 74.A O no hydrogen 2.879 N/A HIS 79.A N THR 75.A O no hydrogen 3.046 N/A HIS 79.A NE2 GLU 50.A O no hydrogen 2.725 N/A GLY 80.A N TYR 76.A O no hydrogen 2.830 N/A VAL 81.A N ILE 77.A O no hydrogen 2.957 N/A ARG 82.A N HIS 78.A O no hydrogen 2.978 N/A ARG 82.A NE HIS 79.A ND1 no hydrogen 2.871 N/A ARG 82.A NH2 PHE 45.A O no hydrogen 2.955 N/A ARG 82.A NH2 HIS 79.A ND1 no hydrogen 3.406 N/A THR 83.A N HIS 79.A O no hydrogen 2.894 N/A THR 83.A OG1 HIS 79.A O no hydrogen 2.789 N/A THR 83.A OG1 GLY 80.A O no hydrogen 3.338 N/A GLY 84.A N VAL 81.A O no hydrogen 3.073 N/A ILE 86.A N GLY 80.A O no hydrogen 2.907 N/A GLU 90.A N ASP 87.A OD1 no hydrogen 2.941 N/A LEU 91.A N ASP 87.A O no hydrogen 2.993 N/A GLU 92.A N LEU 88.A O no hydrogen 2.868 N/A ARG 93.A N GLU 89.A O no hydrogen 3.034 N/A ARG 93.A NE GLU 90.A OE1 no hydrogen 3.346 N/A ARG 93.A NE GLU 90.A OE2 no hydrogen 3.334 N/A ARG 93.A NH2 GLU 90.A OE2 no hydrogen 2.918 N/A ARG 94.A N GLU 90.A O no hydrogen 2.935 N/A ARG 94.A NE GLU 90.A OE2 no hydrogen 2.761 N/A ARG 94.A NH2 GLU 90.A OE2 no hydrogen 3.429 N/A THR 95.A N LEU 91.A O no hydrogen 2.926 N/A THR 95.A OG1 LEU 91.A O no hydrogen 2.759 N/A GLN 96.A N GLU 92.A O no hydrogen 3.145 N/A TYR 97.A N ARG 93.A O no hydrogen 3.009 N/A TYR 98.A N ARG 94.A O no hydrogen 2.949 N/A TYR 98.A OH PRO 105.A O no hydrogen 2.910 N/A ARG 99.A N THR 95.A O no hydrogen 2.899 N/A ARG 99.A N GLN 96.A O no hydrogen 3.101 N/A ARG 99.A NH1 GLN 96.A OE1 no hydrogen 2.862 N/A GLU 100.A N GLN 96.A O no hydrogen 3.016 N/A ASN 101.A N TYR 97.A O no hydrogen 2.813 N/A ASN 101.A ND2 TYR 97.A O no hydrogen 2.982 N/A ALA 104.A N ASN 101.A O no hydrogen 3.050 N/A HIS 109.A ND1 PRO 107.A O no hydrogen 2.955 N/A GLN 111.A NE2 HIS 109.A NE2 no hydrogen 3.134 N/A LEU 115.A N LYS 112.A O no hydrogen 3.075 N/A ILE 116.A N PRO 113.A O no hydrogen 3.053 N/A GLU 117.A N PRO 113.A O no hydrogen 2.937 N/A PHE 118.A N GLU 114.A O no hydrogen 2.924 N/A VAL 119.A N LEU 115.A O no hydrogen 3.129 N/A ASN 120.A N ILE 116.A O no hydrogen 2.951 N/A GLN 121.A N GLU 117.A O no hydrogen 2.946 N/A ALA 122.A N PHE 118.A O no hydrogen 2.817 N/A VAL 123.A N VAL 119.A O no hydrogen 2.883 N/A TYR 124.A N ASN 120.A O no hydrogen 3.004 N/A GLY 125.A N GLN 121.A O no hydrogen 2.750 N/A GLY 126.A N ALA 122.A O no hydrogen 2.854 N/A ARG 131.A N ALA 175.A O no hydrogen 2.893 N/A ARG 131.A NE GLU 188.A OE1 no hydrogen 3.406 N/A ARG 131.A NE GLU 188.A OE2 no hydrogen 2.799 N/A ARG 131.A NH1 PRO 128.A O no hydrogen 2.854 N/A ARG 131.A NH1 SER 130.A O no hydrogen 2.828 N/A ARG 131.A NH2 GLU 188.A OE1 no hydrogen 2.866 N/A ARG 135.A NH1 PRO 190.A O no hydrogen 2.977 N/A LYS 138.A N GLU 220.A OE1 no hydrogen 2.897 N/A PHE 139.A N TYR 194.A OH no hydrogen 3.081 N/A LYS 140.A N ASP 143.A OD2 no hydrogen 2.954 N/A LYS 140.A NZ ASP 143.A OD1 no hydrogen 3.028 N/A GLY 142.A N VAL 169.A O no hydrogen 2.950 N/A ASP 143.A N LYS 140.A O no hydrogen 3.099 N/A VAL 144.A N ASP 227.A O no hydrogen 2.728 N/A VAL 145.A N GLY 167.A O no hydrogen 2.857 N/A ARG 146.A N GLU 224.A O no hydrogen 2.896 N/A ARG 146.A NE GLY 164.A O no hydrogen 3.577 N/A ARG 146.A NH1 GLU 224.A OE2 no hydrogen 3.523 N/A PHE 147.A N LYS 165.A O no hydrogen 2.878 N/A SER 148.A N TYR 222.A O no hydrogen 2.681 N/A ALA 150.A N SER 148.A OG no hydrogen 2.956 N/A HIS 155.A N ASN 184.A OD1 no hydrogen 2.850 N/A HIS 155.A ND1 GLU 56.A OE1 no hydrogen 2.908 N/A ARG 157.A N TYR 222.A OH no hydrogen 2.929 N/A ARG 158.A NE ASP 180.A OD1 no hydrogen 2.933 N/A ARG 158.A NH1 SER 148.A OG no hydrogen 3.339 N/A ARG 158.A NH2 ASP 180.A OD1 no hydrogen 2.980 N/A ALA 159.A N TYR 216.A OH no hydrogen 2.900 N/A ARG 160.A N ASP 6.A OD2 no hydrogen 2.828 N/A ARG 160.A NE ASP 6.A OD2 no hydrogen 3.208 N/A ARG 160.A NH2 ASP 6.A O no hydrogen 2.935 N/A VAL 162.A N ALA 159.A O no hydrogen 3.087 N/A ARG 163.A N ARG 160.A O no hydrogen 3.328 N/A ARG 163.A NE ARG 158.A O no hydrogen 2.854 N/A ARG 163.A NH2 ARG 158.A O no hydrogen 2.948 N/A GLY 164.A N PHE 147.A O no hydrogen 2.858 N/A LYS 165.A N VAL 162.A O no hydrogen 3.062 N/A THR 166.A N GLU 202.A OE2 no hydrogen 2.862 N/A GLY 167.A N VAL 145.A O no hydrogen 2.845 N/A THR 168.A N ARG 197.A O no hydrogen 2.960 N/A VAL 169.A N ASP 143.A O no hydrogen 2.846 N/A VAL 170.A N THR 195.A O no hydrogen 2.720 N/A LYS 171.A N THR 195.A O no hydrogen 3.470 N/A HIS 173.A N LEU 193.A O no hydrogen 2.894 N/A HIS 173.A NE2 THR 195.A OG1 no hydrogen 2.639 N/A TYR 176.A N GLU 191.A O no hydrogen 2.903 N/A ILE 177.A N ALA 129.A O no hydrogen 3.095 N/A TYR 178.A N GLU 188.A O no hydrogen 2.879 N/A THR 181.A N TYR 178.A O no hydrogen 3.266 N/A THR 181.A OG1 TYR 178.A O no hydrogen 3.043 N/A THR 181.A OG1 GLY 187.A O no hydrogen 2.894 N/A ALA 182.A N TYR 178.A O no hydrogen 2.880 N/A GLY 183.A N PRO 179.A O no hydrogen 2.782 N/A ASN 184.A N THR 181.A O no hydrogen 3.126 N/A ASN 184.A ND2 HIS 155.A O no hydrogen 3.116 N/A ASN 184.A ND2 ASP 180.A O no hydrogen 2.785 N/A GLY 185.A N ALA 182.A O no hydrogen 3.270 N/A LEU 186.A N THR 181.A O no hydrogen 2.793 N/A CYS 189.A SG LEU 186.A O no hydrogen 3.639 N/A GLU 191.A N TYR 176.A O no hydrogen 2.982 N/A HIS 192.A NE2 ARG 135.A O no hydrogen 2.843 N/A LEU 193.A N GLY 174.A O no hydrogen 2.754 N/A TYR 194.A N CYS 218.A O no hydrogen 2.899 N/A TYR 194.A OH GLU 220.A OE1 no hydrogen 2.697 N/A THR 195.A N LYS 171.A O no hydrogen 2.922 N/A THR 195.A OG1 HIS 173.A NE2 no hydrogen 2.639 N/A THR 195.A OG1 ASP 217.A OD2 no hydrogen 2.674 N/A VAL 196.A N TYR 216.A O no hydrogen 2.851 N/A ARG 197.A N THR 168.A O no hydrogen 2.805 N/A ARG 197.A NE SER 213.A OG no hydrogen 3.289 N/A PHE 198.A N VAL 214.A O no hydrogen 2.843 N/A ALA 200.A N SER 212.A O no hydrogen 2.931 N/A GLU 202.A N THR 199.A OG1 no hydrogen 3.040 N/A LEU 203.A N THR 199.A O no hydrogen 3.142 N/A TRP 204.A N ALA 200.A O no hydrogen 2.808 N/A GLY 205.A N GLN 201.A O no hydrogen 2.813 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.818 N/A GLY 208.A N GLY 205.A O no hydrogen 3.036 N/A ASN 211.A N ASP 209.A OD1 no hydrogen 2.835 N/A VAL 214.A N PHE 198.A O no hydrogen 2.731 N/A TYR 216.A N VAL 196.A O no hydrogen 2.914 N/A TYR 216.A OH ARG 157.A O no hydrogen 2.712 N/A CYS 218.A N TYR 194.A O no hydrogen 2.666 N/A CYS 218.A SG TYR 216.A O no hydrogen 3.553 N/A GLU 220.A N HIS 192.A O no hydrogen 2.778 N/A TYR 222.A N TRP 219.A O no hydrogen 2.904 N/A TYR 222.A OH ASP 180.A OD2 no hydrogen 2.597 N/A ILE 223.A N GLU 220.A O no hydrogen 3.286 N/A GLU 224.A N ARG 146.A O no hydrogen 3.079 N/A VAL 226.A N VAL 144.A O no hydrogen 2.769 N/A ASP 227.A N VAL 144.A O no hydrogen 3.123 N/A THR 228.A OG1 ASP 143.A OD1 no hydrogen 3.561 N/A