Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i96_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N LEU 43.A O no hydrogen 3.280 N/A LEU 4.A N TRP 41.A O no hydrogen 2.768 N/A ARG 5.A N THR 135.A O no hydrogen 2.842 N/A ARG 5.A NE SER 39.A OG no hydrogen 3.075 N/A ARG 5.A NH1 GLU 141.A OE1 no hydrogen 2.887 N/A ARG 5.A NH1 GLU 141.A OE2 no hydrogen 3.458 N/A ARG 5.A NH2 HIS 36.A O no hydrogen 3.086 N/A ARG 5.A NH2 GLU 141.A OE2 no hydrogen 2.826 N/A PHE 7.A N PHE 133.A O no hydrogen 2.926 N/A HIS 8.A N GLU 10.A O no hydrogen 3.088 N/A CYS 11.A N GLU 29.A O no hydrogen 2.795 N/A CYS 11.A SG GLU 29.A O no hydrogen 4.020 N/A LEU 12.A N LEU 6.A O no hydrogen 2.829 N/A THR 13.A N TYR 27.A O no hydrogen 2.950 N/A THR 13.A OG1 ILE 14.A O no hydrogen 2.980 N/A SER 15.A OG ASP 21.A OD1 no hydrogen 3.135 N/A SER 15.A OG ASP 21.A OD2 no hydrogen 2.579 N/A SER 19.A OG ALA 16.A O no hydrogen 2.466 N/A GLN 22.A N SER 19.A O no hydrogen 2.867 N/A ARG 23.A N ASP 21.A OD2 no hydrogen 2.709 N/A ARG 23.A NH1 SER 15.A O no hydrogen 2.737 N/A ARG 23.A NH1 GLU 208.A OE2 no hydrogen 3.332 N/A ARG 23.A NH2 GLU 208.A OE1 no hydrogen 2.693 N/A ARG 23.A NH2 GLU 208.A OE2 no hydrogen 3.335 N/A ARG 24.A N ASP 21.A O no hydrogen 3.294 N/A TYR 27.A N THR 13.A O no hydrogen 2.693 N/A TYR 27.A OH ASP 21.A OD1 no hydrogen 2.756 N/A TYR 28.A N LYS 118.A O no hydrogen 2.794 N/A GLU 29.A N CYS 11.A O no hydrogen 2.923 N/A CYS 34.A N GLY 31.A O no hydrogen 3.281 N/A CYS 34.A SG GLY 31.A O no hydrogen 3.674 N/A THR 35.A N ALA 32.A O no hydrogen 2.975 N/A THR 35.A OG1 ALA 32.A O no hydrogen 2.719 N/A HIS 36.A N VAL 33.A O no hydrogen 2.856 N/A ARG 38.A NE ILE 14.A O no hydrogen 2.910 N/A ARG 38.A NH2 GLU 29.A OE2 no hydrogen 2.704 N/A SER 39.A OG VAL 33.A O no hydrogen 2.733 N/A SER 39.A OG HIS 36.A O no hydrogen 3.018 N/A LEU 40.A N ALA 37.A O no hydrogen 3.165 N/A TRP 41.A N LEU 4.A O no hydrogen 2.912 N/A TRP 41.A NE1 LEU 12.A O no hydrogen 2.635 N/A ARG 42.A N ARG 55.A O no hydrogen 3.003 N/A GLU 44.A N ARG 53.A O no hydrogen 2.704 N/A GLY 49.A N PHE 88.A O no hydrogen 2.741 N/A GLN 50.A N ARG 47.A O no hydrogen 3.268 N/A LEU 52.A N PHE 86.A O no hydrogen 2.633 N/A ARG 53.A N GLU 44.A O no hydrogen 3.080 N/A ARG 53.A NH1 THR 84.A OG1 no hydrogen 2.814 N/A ARG 55.A N ARG 42.A O no hydrogen 2.894 N/A ARG 55.A NH1 TYR 62.A OH no hydrogen 3.002 N/A HIS 56.A N ARG 61.A O no hydrogen 2.523 N/A HIS 56.A ND1 THR 59.A OG1 no hydrogen 2.855 N/A HIS 56.A NE2 ARG 38.A O no hydrogen 2.599 N/A VAL 57.A N LEU 40.A O no hydrogen 3.374 N/A THR 58.A OG1 GLU 208.A OE1 no hydrogen 2.695 N/A THR 59.A N HIS 56.A ND1 no hydrogen 3.406 N/A THR 59.A OG1 HIS 56.A ND1 no hydrogen 2.855 N/A ARG 61.A N THR 59.A OG1 no hydrogen 3.404 N/A ARG 61.A NE ASP 75.A OD2 no hydrogen 3.104 N/A TYR 62.A N VAL 74.A O no hydrogen 2.700 N/A TYR 62.A OH GLU 44.A OE1 no hydrogen 2.646 N/A LEU 63.A N ILE 54.A O no hydrogen 2.963 N/A ALA 64.A N VAL 72.A O no hydrogen 2.728 N/A LEU 65.A N ALA 83.A O no hydrogen 3.222 N/A THR 66.A N GLY 70.A O no hydrogen 2.678 N/A GLY 70.A N THR 66.A O no hydrogen 2.781 N/A VAL 72.A N ALA 64.A O no hydrogen 2.916 N/A VAL 73.A N ARG 24.A O no hydrogen 2.897 N/A VAL 74.A N TYR 62.A O no hydrogen 2.686 N/A LYS 78.A N ASP 75.A O no hydrogen 2.869 N/A ALA 79.A N ALA 76.A O no hydrogen 3.219 N/A THR 84.A N HIS 80.A O no hydrogen 3.031 N/A THR 84.A OG1 ALA 79.A O no hydrogen 3.305 N/A THR 84.A OG1 HIS 80.A O no hydrogen 3.116 N/A SER 85.A N THR 81.A O no hydrogen 3.180 N/A PHE 86.A N LEU 52.A O no hydrogen 2.731 N/A CYS 87.A N GLN 106.A O no hydrogen 2.959 N/A ARG 89.A N PHE 104.A O no hydrogen 2.891 N/A ARG 89.A NH1 GLN 106.A OE1 no hydrogen 3.437 N/A ARG 89.A NH2 GLU 93.A O no hydrogen 2.700 N/A LYS 92.A NZ GLU 125.A O no hydrogen 2.870 N/A LYS 92.A NZ HIS 127.A O no hydrogen 2.911 N/A LYS 92.A NZ ASP 130.A OD2 no hydrogen 2.596 N/A LYS 97.A N SER 101.A OG no hydrogen 3.200 N/A GLY 99.A N LEU 134.A O no hydrogen 2.835 N/A SER 101.A N LYS 97.A O no hydrogen 3.261 N/A SER 101.A OG LYS 97.A O no hydrogen 3.353 N/A CYS 103.A N LEU 132.A O no hydrogen 2.753 N/A CYS 103.A SG SER 101.A O no hydrogen 3.779 N/A PHE 104.A N ARG 89.A O no hydrogen 3.017 N/A GLN 106.A N CYS 87.A O no hydrogen 2.950 N/A GLN 106.A NE2 GLY 111.A O no hydrogen 2.945 N/A HIS 107.A N LEU 112.A O no hydrogen 2.902 N/A VAL 108.A N SER 85.A O no hydrogen 3.024 N/A GLY 111.A N HIS 107.A O no hydrogen 2.868 N/A LEU 112.A N SER 110.A OG no hydrogen 3.387 N/A TRP 113.A N HIS 123.A O no hydrogen 2.827 N/A LEU 114.A N VAL 105.A O no hydrogen 2.831 N/A THR 115.A N ILE 121.A O no hydrogen 2.766 N/A THR 115.A OG1 ASP 130.A OD1 no hydrogen 2.865 N/A TYR 116.A N THR 115.A OG1 no hydrogen 2.634 N/A TYR 116.A OH HIS 127.A ND1 no hydrogen 3.009 N/A TYR 116.A OH ASP 129.A OD1 no hydrogen 3.112 N/A TYR 116.A OH ASP 129.A OD2 no hydrogen 2.505 N/A LYS 118.A N TYR 28.A O no hydrogen 2.984 N/A ALA 120.A N VAL 26.A O no hydrogen 2.943 N/A ILE 121.A N THR 115.A O no hydrogen 2.602 N/A HIS 123.A N TRP 113.A O no hydrogen 2.902 N/A HIS 127.A N ASP 130.A OD2 no hydrogen 2.903 N/A ASP 129.A N ASP 129.A OD2 no hydrogen 2.531 N/A LEU 132.A N CYS 103.A O no hydrogen 2.768 N/A PHE 133.A N PHE 7.A O no hydrogen 2.712 N/A THR 135.A N ARG 5.A O no hydrogen 2.847 N/A THR 135.A OG1 PHE 133.A O no hydrogen 3.437 N/A CYS 137.A SG VAL 3.A O no hydrogen 3.532 N/A CYS 137.A SG GLN 138.A O no hydrogen 3.458 N/A GLN 138.A N GLU 141.A OE1 no hydrogen 3.281 N/A SER 142.A N GLN 138.A O no hydrogen 3.081 N/A SER 142.A OG GLN 138.A O no hydrogen 3.353 N/A SER 142.A OG GLN 139.A O no hydrogen 3.004 N/A GLN 143.A N GLN 139.A O no hydrogen 2.727 N/A ALA 144.A N GLU 140.A O no hydrogen 2.964 N/A ALA 145.A N GLU 141.A O no hydrogen 2.802 N/A ARG 146.A N SER 142.A O no hydrogen 3.012 N/A MET 147.A N GLN 143.A O no hydrogen 2.940 N/A ILE 148.A N ALA 144.A O no hydrogen 2.770 N/A HIS 149.A N ALA 145.A O no hydrogen 2.989 N/A HIS 149.A ND1 THR 58.A O no hydrogen 3.202 N/A SER 150.A N ARG 146.A O no hydrogen 3.050 N/A THR 151.A N MET 147.A O no hydrogen 2.874 N/A THR 151.A OG1 MET 147.A O no hydrogen 3.020 N/A ALA 152.A N ILE 148.A O no hydrogen 3.024 N/A GLY 153.A N HIS 149.A O no hydrogen 2.974 N/A LEU 154.A N SER 150.A O no hydrogen 2.906 N/A TYR 155.A N THR 151.A O no hydrogen 2.815 N/A TYR 155.A OH SER 179.A OG no hydrogen 2.917 N/A ASN 156.A N ALA 152.A O no hydrogen 3.033 N/A GLN 157.A N GLY 153.A O no hydrogen 3.255 N/A PHE 158.A N LEU 154.A O no hydrogen 2.955 N/A ILE 159.A N TYR 155.A O no hydrogen 2.793 N/A LYS 160.A N ASN 156.A O no hydrogen 2.876 N/A GLY 161.A N GLN 157.A O no hydrogen 2.933 N/A LEU 162.A N PHE 158.A O no hydrogen 2.873 N/A ASP 163.A N ILE 159.A O no hydrogen 2.822 N/A SER 164.A N LYS 160.A O no hydrogen 3.137 N/A SER 164.A N GLY 161.A O no hydrogen 3.231 N/A SER 164.A OG LYS 160.A O no hydrogen 3.303 N/A SER 166.A N ASP 163.A O no hydrogen 3.264 N/A LYS 168.A N PHE 165.A O no hydrogen 2.898 N/A ILE 173.A N LEU 171.A O no hydrogen 2.905 N/A VAL 176.A N PRO 172.A O no hydrogen 2.916 N/A ILE 177.A N ILE 173.A O no hydrogen 2.871 N/A LEU 178.A N GLU 174.A O no hydrogen 2.899 N/A SER 179.A N ALA 175.A O no hydrogen 2.817 N/A SER 179.A OG TYR 155.A OH no hydrogen 2.917 N/A LEU 180.A N VAL 176.A O no hydrogen 2.868 N/A GLN 181.A N ILE 177.A O no hydrogen 3.068 N/A ASP 182.A N LEU 178.A O no hydrogen 3.020 N/A LEU 183.A N SER 179.A O no hydrogen 2.964 N/A ILE 184.A N LEU 180.A O no hydrogen 2.864 N/A GLY 185.A N GLN 181.A O no hydrogen 3.139 N/A TYR 186.A N ASP 182.A O no hydrogen 2.876 N/A PHE 187.A N LEU 183.A O no hydrogen 2.929 N/A GLU 188.A N GLY 185.A O no hydrogen 3.197 N/A LEU 195.A N LYS 191.A O no hydrogen 2.841 N/A ARG 196.A N GLN 192.A O no hydrogen 3.034 N/A SER 197.A N SER 193.A O no hydrogen 3.302 N/A SER 197.A OG GLU 140.A OE1 no hydrogen 2.776 N/A LEU 198.A N LYS 194.A O no hydrogen 3.158 N/A LEU 198.A N LEU 195.A O no hydrogen 3.227 N/A ARG 199.A N LEU 195.A O no hydrogen 3.052 N/A ASN 200.A N ARG 196.A O no hydrogen 3.006 N/A ASN 200.A ND2 GLU 140.A OE2 no hydrogen 2.743 N/A ARG 201.A N SER 197.A O no hydrogen 3.103 N/A ARG 201.A NE SER 197.A OG no hydrogen 3.277 N/A ARG 201.A NH1 TYR 186.A O no hydrogen 2.808 N/A GLN 202.A N LEU 198.A O no hydrogen 2.934 N/A GLN 202.A NE2 SER 255.A O no hydrogen 2.964 N/A GLN 202.A NE2 ARG 258.A O no hydrogen 2.840 N/A SER 203.A N ARG 199.A O no hydrogen 3.105 N/A LEU 204.A N ASN 200.A O no hydrogen 3.105 N/A PHE 205.A N ARG 201.A O no hydrogen 3.210 N/A GLN 206.A N GLN 202.A O no hydrogen 2.837 N/A GLN 206.A NE2 LEU 256.A O no hydrogen 3.091 N/A GLU 207.A N SER 203.A O no hydrogen 2.952 N/A GLU 208.A N PHE 205.A O no hydrogen 3.274 N/A GLY 209.A N GLN 206.A O no hydrogen 3.067 N/A MET 210.A N PHE 205.A O no hydrogen 3.062 N/A LEU 213.A N GLY 209.A O no hydrogen 3.241 N/A VAL 214.A N MET 210.A O no hydrogen 2.971 N/A LEU 215.A N LEU 211.A O no hydrogen 2.873 N/A ASN 216.A N SER 212.A O no hydrogen 2.726 N/A CYS 217.A N LEU 213.A O no hydrogen 3.227 N/A CYS 217.A SG LEU 213.A O no hydrogen 3.494 N/A ILE 218.A N VAL 214.A O no hydrogen 2.950 N/A ASP 219.A N LEU 215.A O no hydrogen 2.836 N/A ARG 220.A N ASN 216.A O no hydrogen 3.308 N/A ARG 220.A N CYS 217.A O no hydrogen 3.200 N/A ARG 220.A NE ASP 163.A OD1 no hydrogen 2.828 N/A ARG 220.A NH1 ASN 216.A O no hydrogen 3.188 N/A LEU 221.A N CYS 217.A O no hydrogen 3.025 N/A ASN 222.A N ILE 218.A O no hydrogen 2.868 N/A ASN 222.A ND2 TYR 250.A OH no hydrogen 3.107 N/A TYR 224.A N LEU 221.A O no hydrogen 3.294 N/A THR 225.A N HIS 229.A ND1 no hydrogen 3.308 N/A HIS 229.A N THR 226.A OG1 no hydrogen 2.911 N/A PHE 230.A N THR 226.A O no hydrogen 2.959 N/A ALA 231.A N ALA 227.A O no hydrogen 2.846 N/A GLU 232.A N HIS 229.A O no hydrogen 3.204 N/A TYR 233.A N PHE 230.A O no hydrogen 2.949 N/A ALA 234.A N PHE 230.A O no hydrogen 2.892 N/A ALA 239.A N GLY 235.A O no hydrogen 3.244 N/A SER 241.A N ALA 238.A O no hydrogen 2.851 N/A TRP 242.A N ALA 239.A O no hydrogen 3.295 N/A TRP 242.A NE1 LEU 221.A O no hydrogen 3.149 N/A ILE 245.A N SER 241.A O no hydrogen 2.952 N/A VAL 246.A N TRP 242.A O no hydrogen 3.078 N/A ASN 247.A N LYS 243.A O no hydrogen 2.964 N/A ASN 247.A ND2 LYS 243.A O no hydrogen 2.645 N/A LEU 248.A N GLU 244.A O no hydrogen 3.029 N/A LEU 249.A N ILE 245.A O no hydrogen 2.911 N/A TYR 250.A N VAL 246.A O no hydrogen 3.001 N/A GLU 251.A N ASN 247.A O no hydrogen 2.870 N/A LEU 252.A N LEU 248.A O no hydrogen 2.724 N/A LEU 253.A N LEU 249.A O no hydrogen 2.970 N/A ALA 254.A N TYR 250.A O no hydrogen 3.011 N/A SER 255.A N GLU 251.A O no hydrogen 2.829 N/A SER 255.A OG GLU 251.A O no hydrogen 3.445 N/A LEU 256.A N LEU 252.A O no hydrogen 2.847 N/A LEU 256.A N LEU 253.A O no hydrogen 2.973 N/A ILE 257.A N LEU 253.A O no hydrogen 3.239 N/A ILE 257.A N ALA 254.A O no hydrogen 3.168 N/A ARG 258.A N ALA 254.A O no hydrogen 3.016 N/A