Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1inq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 103.A O no hydrogen 3.466 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.937 N/A MET 5.A N CYS 101.A O no hydrogen 2.926 N/A ARG 6.A N TYR 27.A O no hydrogen 2.973 N/A ARG 6.A NE MET 5.A O no hydrogen 3.061 N/A ARG 6.A NH2 MET 5.A O no hydrogen 3.352 N/A ARG 6.A NH2 CYS 101.A O no hydrogen 2.803 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.590 N/A TYR 7.A N SER 99.A O no hydrogen 2.832 N/A PHE 8.A N VAL 25.A O no hydrogen 2.797 N/A GLU 9.A N GLN 97.A O no hydrogen 2.791 N/A THR 10.A N ILE 23.A O no hydrogen 2.856 N/A ALA 11.A N LEU 95.A O no hydrogen 2.840 N/A VAL 12.A N ARG 21.A O no hydrogen 3.131 N/A SER 13.A N HIS 93.A O no hydrogen 2.953 N/A ARG 21.A N VAL 12.A O no hydrogen 3.010 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.311 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.835 N/A TYR 22.A N SER 38.A OG no hydrogen 2.832 N/A TYR 22.A OH GLU 9.A OE1 no hydrogen 2.581 N/A ILE 23.A N THR 10.A O no hydrogen 2.870 N/A SER 24.A N PHE 36.A O no hydrogen 2.851 N/A SER 24.A OG TYR 45.A OH no hydrogen 2.507 N/A VAL 25.A N PHE 8.A O no hydrogen 2.927 N/A GLY 26.A N VAL 34.A O no hydrogen 3.013 N/A TYR 27.A N ARG 6.A O no hydrogen 2.640 N/A VAL 28.A N LYS 31.A O no hydrogen 3.038 N/A ASP 29.A N SER 4.A O no hydrogen 2.745 N/A LYS 31.A N VAL 28.A O no hydrogen 3.002 N/A PHE 33.A N GLY 26.A O no hydrogen 2.992 N/A ARG 35.A N GLU 46.A O no hydrogen 3.088 N/A ARG 35.A NH1 GLU 32.A OE1 no hydrogen 3.224 N/A ARG 35.A NH1 GLU 32.A OE2 no hydrogen 3.517 N/A PHE 36.A N SER 24.A O no hydrogen 2.869 N/A SER 38.A N TYR 22.A O no hydrogen 2.934 N/A SER 38.A OG TYR 22.A O no hydrogen 3.392 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.800 N/A ALA 40.A N ASP 37.A O no hydrogen 3.126 N/A TYR 45.A N THR 64.A OG1 no hydrogen 3.122 N/A TYR 45.A OH SER 24.A OG no hydrogen 2.507 N/A GLU 46.A N ARG 35.A O no hydrogen 2.840 N/A ARG 48.A N PHE 33.A O no hydrogen 2.776 N/A MET 52.A N ALA 49.A O no hydrogen 2.787 N/A GLU 53.A N PRO 50.A O no hydrogen 2.991 N/A GLU 55.A N MET 52.A O no hydrogen 3.197 N/A TYR 59.A N GLY 56.A O no hydrogen 3.085 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.718 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 2.973 N/A GLU 61.A N PRO 57.A O no hydrogen 2.977 N/A ARG 62.A N GLU 58.A O no hydrogen 2.981 N/A GLU 63.A N TYR 59.A O no hydrogen 2.914 N/A THR 64.A N TRP 60.A O no hydrogen 2.900 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.781 N/A GLN 65.A N GLU 61.A O no hydrogen 2.949 N/A LYS 66.A N ARG 62.A O no hydrogen 2.935 N/A LYS 66.A NZ GLU 63.A OE2 no hydrogen 2.752 N/A ALA 67.A N GLU 63.A O no hydrogen 2.997 N/A LYS 68.A N THR 64.A O no hydrogen 2.964 N/A GLY 69.A N GLN 65.A O no hydrogen 3.116 N/A GLN 70.A N LYS 66.A O no hydrogen 2.981 N/A GLN 70.A NE2 GLU 9.A OE1 no hydrogen 2.701 N/A GLU 71.A N ALA 67.A O no hydrogen 2.942 N/A GLN 72.A N LYS 68.A O no hydrogen 3.472 N/A TRP 73.A N GLY 69.A O no hydrogen 2.930 N/A PHE 74.A N GLN 70.A O no hydrogen 2.787 N/A ARG 75.A N GLU 71.A O no hydrogen 3.056 N/A VAL 76.A N GLN 72.A O no hydrogen 2.916 N/A SER 77.A N TRP 73.A O no hydrogen 2.925 N/A SER 77.A OG TRP 73.A O no hydrogen 3.219 N/A LEU 78.A N PHE 74.A O no hydrogen 2.807 N/A ARG 79.A N ARG 75.A O no hydrogen 3.210 N/A ASN 80.A N VAL 76.A O no hydrogen 2.900 N/A LEU 81.A N SER 77.A O no hydrogen 2.889 N/A LEU 82.A N LEU 78.A O no hydrogen 3.143 N/A GLY 83.A N ARG 79.A O no hydrogen 3.390 N/A TYR 84.A N ASN 80.A O no hydrogen 3.041 N/A TYR 85.A N LEU 81.A O no hydrogen 2.992 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.507 N/A ASN 86.A N GLY 83.A O no hydrogen 3.157 N/A GLN 87.A N LEU 82.A O no hydrogen 2.829 N/A GLN 87.A NE2 GLU 119.A OE2 no hydrogen 3.458 N/A HIS 93.A N SER 13.A OG no hydrogen 3.106 N/A HIS 93.A ND1 GLU 119.A OE2 no hydrogen 2.672 N/A THR 94.A N GLU 119.A OE1 no hydrogen 2.917 N/A LEU 95.A N ALA 11.A O no hydrogen 2.831 N/A GLN 96.A N ALA 117.A O no hydrogen 2.819 N/A GLN 97.A N GLU 9.A O no hydrogen 2.763 N/A MET 98.A N GLN 115.A O no hydrogen 2.995 N/A SER 99.A N TYR 7.A O no hydrogen 3.003 N/A SER 99.A OG GLN 97.A OE1 no hydrogen 3.073 N/A GLY 100.A N TYR 113.A O no hydrogen 3.154 N/A CYS 101.A N MET 5.A O no hydrogen 3.035 N/A ASP 102.A N ARG 111.A O no hydrogen 3.015 N/A LEU 103.A N HIS 3.A O no hydrogen 2.749 N/A GLY 104.A N ARG 108.A O no hydrogen 2.839 N/A TRP 107.A N GLY 104.A O no hydrogen 2.882 N/A ARG 108.A N ASP 106.A OD1 no hydrogen 2.717 N/A LEU 110.A N ASP 102.A O no hydrogen 2.700 N/A ARG 111.A N ASP 102.A O no hydrogen 3.374 N/A TYR 113.A N GLY 100.A O no hydrogen 2.888 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 3.205 N/A GLN 115.A N MET 98.A O no hydrogen 2.940 N/A PHE 116.A N ILE 124.A O no hydrogen 2.832 N/A ALA 117.A N GLN 96.A O no hydrogen 2.914 N/A TYR 118.A N ARG 121.A O no hydrogen 2.931 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.604 N/A GLU 119.A N THR 94.A O no hydrogen 2.845 N/A ARG 121.A N TYR 118.A O no hydrogen 3.035 N/A TYR 123.A N PHE 116.A O no hydrogen 2.793 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.704 N/A ALA 125.A N THR 134.A O no hydrogen 2.958 N/A LEU 126.A N LEU 114.A O no hydrogen 2.860 N/A ASN 127.A N THR 132.A O no hydrogen 2.808 N/A ASN 127.A ND2 THR 134.A OG1 no hydrogen 2.463 N/A LEU 130.A N ASN 127.A O no hydrogen 2.803 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.841 N/A THR 132.A N ASP 129.A OD1 no hydrogen 3.132 N/A THR 132.A OG1 ASN 127.A OD1 no hydrogen 2.470 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 3.407 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.804 N/A THR 134.A N ALA 125.A O no hydrogen 2.803 N/A ALA 136.A N TYR 123.A O no hydrogen 2.800 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.821 N/A GLN 141.A N ASP 137.A O no hydrogen 3.206 N/A GLN 141.A N MET 138.A O no hydrogen 2.939 N/A ILE 142.A N ALA 139.A O no hydrogen 2.803 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.704 N/A ARG 144.A N ALA 140.A O no hydrogen 2.844 N/A ARG 144.A NE GLU 148.A OE2 no hydrogen 3.295 N/A ARG 144.A NH1 GLN 141.A OE1 no hydrogen 2.964 N/A ARG 145.A N GLN 141.A O no hydrogen 3.088 N/A LYS 146.A N ILE 142.A O no hydrogen 3.101 N/A TRP 147.A N THR 143.A O no hydrogen 2.760 N/A GLU 148.A N ARG 144.A O no hydrogen 2.863 N/A GLN 149.A N ARG 145.A O no hydrogen 2.970 N/A SER 150.A N LYS 146.A O no hydrogen 3.080 N/A SER 150.A OG LYS 146.A O no hydrogen 2.554 N/A GLY 151.A N TRP 147.A O no hydrogen 2.788 N/A ALA 152.A N TRP 147.A O no hydrogen 3.013 N/A GLU 154.A N GLY 151.A O no hydrogen 3.233 N/A TYR 156.A N ALA 152.A O no hydrogen 3.392 N/A LYS 157.A N ALA 153.A O no hydrogen 2.816 N/A LYS 157.A NZ GLU 161.A OE1 no hydrogen 2.826 N/A LYS 157.A NZ GLU 161.A OE2 no hydrogen 3.401 N/A ALA 158.A N GLU 154.A O no hydrogen 3.041 N/A TYR 159.A N HIS 155.A O no hydrogen 3.286 N/A LEU 160.A N TYR 156.A O no hydrogen 2.724 N/A GLU 161.A N LYS 157.A O no hydrogen 2.966 N/A GLY 162.A N ALA 158.A O no hydrogen 2.823 N/A CYS 164.A N TYR 159.A O no hydrogen 2.927 N/A GLU 166.A N GLY 162.A O no hydrogen 2.891 N/A TRP 167.A N GLU 163.A O no hydrogen 2.843 N/A LEU 168.A N CYS 164.A O no hydrogen 3.047 N/A HIS 169.A N VAL 165.A O no hydrogen 3.046 N/A HIS 169.A ND1 VAL 165.A O no hydrogen 3.247 N/A ARG 170.A N GLU 166.A O no hydrogen 3.164 N/A ARG 170.A NE GLU 55.A OE2 no hydrogen 2.963 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 2.926 N/A TYR 171.A N TRP 167.A O no hydrogen 2.996 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.718 N/A LEU 172.A N LEU 168.A O no hydrogen 3.006 N/A LYS 173.A N HIS 169.A O no hydrogen 3.188 N/A ASN 174.A N ARG 170.A O no hydrogen 3.078 N/A GLY 175.A N TYR 171.A O no hydrogen 2.939 N/A ASN 176.A N LYS 173.A O no hydrogen 3.454 N/A THR 178.A N GLY 175.A O no hydrogen 3.188 N/A LEU 179.A N GLY 175.A O no hydrogen 3.192 N/A ARG 181.A N THR 178.A O no hydrogen 3.282 N/A ARG 181.A NE ASP 183.A OD1 no hydrogen 2.567 N/A ASP 183.A N TYR 209.A O no hydrogen 2.695 N/A LYS 186.A N LEU 206.A O no hydrogen 2.824 N/A HIS 188.A N TRP 204.A O no hydrogen 3.139 N/A THR 190.A N ARG 202.A O no hydrogen 2.848 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.558 N/A HIS 191.A NE2 GLU 254.A OE2 no hydrogen 3.065 N/A HIS 192.A N THR 200.A O no hydrogen 2.848 N/A VAL 199.A N VAL 249.A O no hydrogen 2.588 N/A THR 200.A N HIS 192.A O no hydrogen 2.940 N/A LEU 201.A N VAL 247.A O no hydrogen 3.034 N/A ARG 202.A N THR 190.A O no hydrogen 3.019 N/A ARG 202.A NH2 SER 246.A OG no hydrogen 3.274 N/A CYS 203.A N ALA 245.A O no hydrogen 2.712 N/A TRP 204.A N HIS 188.A O no hydrogen 2.829 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 2.816 N/A ALA 205.A N LYS 243.A O no hydrogen 2.901 N/A LEU 206.A N LYS 186.A O no hydrogen 2.949 N/A PHE 208.A N PHE 241.A O no hydrogen 3.410 N/A TYR 209.A N ASP 183.A O no hydrogen 2.951 N/A THR 214.A N TYR 262.A O no hydrogen 3.168 N/A THR 216.A N ARG 260.A O no hydrogen 2.863 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.888 N/A GLN 218.A N THR 258.A O no hydrogen 2.701 N/A GLN 218.A NE2 GLU 223.A OE1 no hydrogen 3.282 N/A LEU 219.A N GLU 222.A O no hydrogen 3.057 N/A ASN 220.A N ASN 256.A O no hydrogen 3.114 N/A GLU 222.A N LEU 219.A O no hydrogen 2.867 N/A GLU 229.A N SER 246.A O no hydrogen 2.820 N/A ARG 234.A N GLN 242.A O no hydrogen 3.044 N/A ALA 236.A N THR 240.A O no hydrogen 2.961 N/A THR 240.A N ASP 238.A OD1 no hydrogen 2.708 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.623 N/A THR 240.A OG1 ASP 238.A OD2 no hydrogen 3.512 N/A PHE 241.A N PHE 208.A O no hydrogen 2.849 N/A GLN 242.A N ARG 234.A O no hydrogen 2.889 N/A LYS 243.A N ALA 205.A O no hydrogen 3.070 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.823 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.208 N/A ALA 245.A N CYS 203.A O no hydrogen 3.029 N/A SER 246.A N GLU 229.A O no hydrogen 2.771 N/A VAL 247.A N LEU 201.A O no hydrogen 3.028 N/A VAL 249.A N VAL 199.A O no hydrogen 2.554 N/A LEU 251.A N GLY 197.A O no hydrogen 2.893 N/A LYS 253.A N PRO 250.A O no hydrogen 2.699 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.681 N/A GLN 255.A NE2 TRP 274.A O no hydrogen 3.138 N/A ASN 256.A N LYS 253.A O no hydrogen 3.263 N/A TYR 257.A N GLU 254.A O no hydrogen 3.244 N/A THR 258.A N GLN 218.A O no hydrogen 3.003 N/A THR 258.A OG1 GLN 218.A OE1 no hydrogen 3.369 N/A CYS 259.A N LEU 272.A O no hydrogen 2.870 N/A CYS 259.A SG ARG 260.A O no hydrogen 3.990 N/A ARG 260.A N THR 216.A O no hydrogen 2.682 N/A ARG 260.A NE THR 271.A OG1 no hydrogen 3.355 N/A ARG 260.A NH2 THR 271.A OG1 no hydrogen 3.032 N/A VAL 261.A N LEU 270.A O no hydrogen 3.017 N/A TYR 262.A N THR 214.A O no hydrogen 2.887 N/A HIS 263.A ND1 ASP 212.A O no hydrogen 2.880 N/A HIS 263.A NE2 TYR 209.A O no hydrogen 3.228 N/A LEU 266.A N HIS 263.A O no hydrogen 2.939 N/A LEU 270.A N VAL 261.A O no hydrogen 2.909 N/A LEU 272.A N CYS 259.A O no hydrogen 2.896 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 2.971 N/A