Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1j1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH GLU 38.A OE2 no hydrogen 2.891 N/A VAL 3.A N GLU 18.A O no hydrogen 2.863 N/A ARG 5.A N TYR 16.A O no hydrogen 2.867 N/A VAL 7.A N THR 14.A O no hydrogen 2.926 N/A ALA 9.A N VAL 12.A O no hydrogen 2.883 N/A GLY 11.A N ASN 8.A OD1 no hydrogen 2.686 N/A VAL 12.A N ALA 9.A O no hydrogen 3.075 N/A THR 14.A N VAL 7.A O no hydrogen 2.734 N/A THR 14.A OG1 VAL 12.A O no hydrogen 2.868 N/A THR 14.A OG1 HIS 80.A NE2 no hydrogen 2.840 N/A ARG 15.A N THR 65.A OG1 no hydrogen 3.178 N/A ARG 15.A NE GLU 4.A OE2 no hydrogen 2.804 N/A ARG 15.A NH1 GLU 36.A OE1 no hydrogen 2.956 N/A ARG 15.A NH1 ASP 58.A OD2 no hydrogen 2.964 N/A ARG 15.A NH2 GLU 4.A OE2 no hydrogen 3.155 N/A TYR 16.A N ARG 5.A O no hydrogen 2.933 N/A LEU 17.A N ALA 56.A O no hydrogen 2.814 N/A GLU 18.A N VAL 3.A O no hydrogen 2.856 N/A ALA 19.A N VAL 54.A O no hydrogen 3.105 N/A VAL 25.A N ARG 53.A O no hydrogen 2.899 N/A ILE 26.A N SER 95.A O no hydrogen 2.836 N/A LEU 27.A N ILE 55.A O no hydrogen 2.802 N/A ILE 28.A N VAL 97.A O no hydrogen 2.612 N/A HIS 29.A ND1 GLY 30.A O no hydrogen 2.811 N/A GLY 30.A N ASN 40.A OD1 no hydrogen 2.935 N/A ALA 35.A N GLY 32.A O no hydrogen 3.110 N/A SER 37.A N ASP 58.A OD1 no hydrogen 2.863 N/A SER 37.A OG ASP 58.A OD1 no hydrogen 2.640 N/A GLU 38.A N GLU 36.A OE1 no hydrogen 2.881 N/A GLY 39.A N GLU 36.A OE2 no hydrogen 2.654 N/A ASN 40.A N GLU 36.A O no hydrogen 3.168 N/A TRP 41.A N SER 37.A O no hydrogen 2.934 N/A ARG 42.A N GLU 38.A O no hydrogen 2.909 N/A VAL 44.A N TRP 41.A O no hydrogen 2.871 N/A ILE 45.A N TRP 41.A O no hydrogen 2.934 N/A LEU 48.A N VAL 44.A O no hydrogen 3.111 N/A ALA 49.A N ILE 45.A O no hydrogen 2.763 N/A ARG 50.A N ILE 47.A O no hydrogen 3.268 N/A HIS 51.A N LEU 48.A O no hydrogen 2.938 N/A TYR 52.A N LEU 48.A O no hydrogen 3.005 N/A ARG 53.A N GLN 23.A O no hydrogen 2.913 N/A ARG 53.A NE GLU 18.A OE2 no hydrogen 2.623 N/A ARG 53.A NH1 ASN 89.A O no hydrogen 3.215 N/A ARG 53.A NH1 ASN 89.A OD1 no hydrogen 3.386 N/A ARG 53.A NH2 GLU 18.A OE2 no hydrogen 3.070 N/A ARG 53.A NH2 ASN 89.A OD1 no hydrogen 2.898 N/A VAL 54.A N ALA 19.A O no hydrogen 2.693 N/A ILE 55.A N VAL 25.A O no hydrogen 2.812 N/A ALA 56.A N LEU 17.A O no hydrogen 2.855 N/A MET 57.A N LEU 27.A O no hydrogen 3.087 N/A ASP 58.A N ARG 15.A O no hydrogen 3.022 N/A MET 59.A N HIS 29.A NE2 no hydrogen 2.926 N/A GLY 61.A N ALA 66.A O no hydrogen 3.183 N/A PHE 62.A N MET 59.A O no hydrogen 2.881 N/A LYS 64.A N ASP 58.A OD2 no hydrogen 2.846 N/A LYS 64.A NZ GLU 4.A OE1 no hydrogen 3.437 N/A LYS 64.A NZ GLU 4.A OE2 no hydrogen 2.696 N/A THR 65.A N PHE 62.A O no hydrogen 3.009 N/A THR 65.A OG1 ASP 58.A O no hydrogen 2.698 N/A ALA 66.A N GLU 13.A O no hydrogen 2.914 N/A LYS 67.A NZ GLY 63.A O no hydrogen 2.757 N/A LYS 67.A NZ THR 65.A O no hydrogen 2.740 N/A ILE 70.A N PRO 68.A O no hydrogen 2.950 N/A TYR 72.A OH PRO 68.A O no hydrogen 2.736 N/A GLN 74.A NE2 THR 105.A OG1 no hydrogen 3.160 N/A GLN 74.A NE2 TYR 189.A OH no hydrogen 2.961 N/A ARG 76.A N THR 73.A OG1 no hydrogen 2.986 N/A ARG 77.A N THR 73.A O no hydrogen 3.209 N/A ARG 77.A NE GLN 74.A OE1 no hydrogen 2.919 N/A ARG 77.A NH2 GLN 74.A OE1 no hydrogen 2.942 N/A ILE 78.A N GLN 74.A O no hydrogen 2.988 N/A ARG 79.A N ASP 75.A O no hydrogen 2.999 N/A HIS 80.A N ARG 76.A O no hydrogen 2.944 N/A HIS 80.A NE2 THR 14.A OG1 no hydrogen 2.840 N/A LEU 81.A N ARG 77.A O no hydrogen 3.010 N/A HIS 82.A N ILE 78.A O no hydrogen 2.966 N/A HIS 82.A ND1 ASP 83.A OD1 no hydrogen 2.813 N/A ASP 83.A N ARG 79.A O no hydrogen 2.840 N/A PHE 84.A N HIS 80.A O no hydrogen 2.812 N/A ILE 85.A N LEU 81.A O no hydrogen 2.970 N/A LYS 86.A N HIS 82.A O no hydrogen 3.083 N/A ALA 87.A N ASP 83.A O no hydrogen 2.802 N/A MET 88.A N PHE 84.A O no hydrogen 2.909 N/A MET 88.A N ILE 85.A O no hydrogen 3.215 N/A VAL 94.A N LEU 116.A O no hydrogen 2.968 N/A SER 95.A N PRO 24.A O no hydrogen 3.094 N/A ILE 96.A N ALA 119.A O no hydrogen 2.859 N/A VAL 97.A N ILE 26.A O no hydrogen 2.783 N/A GLY 98.A N VAL 121.A O no hydrogen 3.027 N/A ASN 99.A N ILE 28.A O no hydrogen 3.084 N/A ASN 99.A ND2 HIS 237.A O no hydrogen 3.128 N/A SER 100.A N MET 123.A O no hydrogen 3.124 N/A SER 100.A OG ASN 99.A OD1 no hydrogen 2.739 N/A GLY 102.A N ASN 99.A O no hydrogen 2.695 N/A GLY 103.A N ASN 99.A O no hydrogen 3.221 N/A ALA 104.A N SER 100.A O no hydrogen 2.944 N/A THR 105.A N MET 101.A O no hydrogen 3.008 N/A THR 105.A OG1 MET 101.A O no hydrogen 3.005 N/A GLY 106.A N GLY 102.A O no hydrogen 2.975 N/A LEU 107.A N GLY 103.A O no hydrogen 2.854 N/A GLY 108.A N ALA 104.A O no hydrogen 2.929 N/A VAL 109.A N THR 105.A O no hydrogen 3.106 N/A SER 110.A N GLY 106.A O no hydrogen 2.906 N/A SER 110.A OG GLY 106.A O no hydrogen 2.885 N/A VAL 111.A N GLY 108.A O no hydrogen 3.136 N/A LEU 112.A N GLY 108.A O no hydrogen 2.941 N/A HIS 113.A N VAL 109.A O no hydrogen 2.761 N/A GLU 115.A N GLU 115.A OE1 no hydrogen 2.743 N/A LEU 116.A N HIS 113.A O no hydrogen 3.079 N/A VAL 117.A N SER 114.A O no hydrogen 2.955 N/A ASN 118.A N VAL 94.A O no hydrogen 2.923 N/A LEU 120.A N PRO 200.A O no hydrogen 2.991 N/A VAL 121.A N ILE 96.A O no hydrogen 2.759 N/A LEU 122.A N LEU 202.A O no hydrogen 2.784 N/A MET 123.A N GLY 98.A O no hydrogen 2.986 N/A GLY 124.A N VAL 204.A O no hydrogen 3.028 N/A SER 125.A OG ALA 126.A O no hydrogen 2.764 N/A ALA 126.A N SER 100.A O no hydrogen 3.153 N/A TYR 132.A OH THR 135.A O no hydrogen 3.278 N/A THR 135.A OG1 ASP 133.A OD1 no hydrogen 2.447 N/A ARG 136.A NE ASN 159.A OD1 no hydrogen 2.718 N/A ARG 136.A NH2 ASP 155.A OD2 no hydrogen 3.357 N/A ARG 136.A NH2 ASN 159.A OD1 no hydrogen 2.879 N/A GLY 138.A N THR 135.A OG1 no hydrogen 2.804 N/A MET 139.A N THR 135.A O no hydrogen 3.047 N/A VAL 140.A N ARG 136.A O no hydrogen 3.075 N/A HIS 141.A N GLU 137.A O no hydrogen 2.999 N/A LEU 142.A N GLY 138.A O no hydrogen 3.019 N/A VAL 143.A N MET 139.A O no hydrogen 3.031 N/A LYS 144.A N VAL 140.A O no hydrogen 3.049 N/A ALA 145.A N HIS 141.A O no hydrogen 2.917 N/A LEU 146.A N LEU 142.A O no hydrogen 2.995 N/A THR 147.A N LYS 144.A O no hydrogen 3.449 N/A THR 147.A OG1 VAL 143.A O no hydrogen 2.661 N/A THR 147.A OG1 LYS 144.A O no hydrogen 3.325 N/A ASN 148.A N GLU 242.A OE1 no hydrogen 2.805 N/A ASN 148.A ND2 GLU 242.A OE1 no hydrogen 2.709 N/A GLY 150.A N ASN 148.A OD1 no hydrogen 2.616 N/A PHE 151.A N ASN 148.A O no hydrogen 2.893 N/A MET 157.A N ASP 154.A OD2 no hydrogen 3.119 N/A ILE 158.A N ASP 154.A O no hydrogen 2.970 N/A ASN 159.A N ASP 155.A O no hydrogen 2.721 N/A SER 160.A N ALA 156.A O no hydrogen 3.005 N/A ARG 161.A N MET 157.A O no hydrogen 3.111 N/A TYR 162.A N ILE 158.A O no hydrogen 2.840 N/A TYR 162.A OH PHE 134.A O no hydrogen 3.077 N/A THR 163.A N ASN 159.A O no hydrogen 2.840 N/A THR 163.A OG1 ASN 159.A O no hydrogen 2.831 N/A TYR 164.A N SER 160.A O no hydrogen 3.184 N/A ALA 165.A N ARG 161.A O no hydrogen 2.957 N/A THR 166.A N TYR 162.A O no hydrogen 2.946 N/A THR 166.A OG1 TYR 162.A O no hydrogen 3.071 N/A ASP 167.A N THR 163.A O no hydrogen 3.308 N/A THR 170.A N ASP 167.A OD2 no hydrogen 3.093 N/A THR 170.A OG1 ASP 167.A OD2 no hydrogen 2.678 N/A ARG 171.A N ASP 167.A O no hydrogen 2.780 N/A LYS 172.A N GLU 168.A O no hydrogen 2.889 N/A ALA 173.A N ALA 169.A O no hydrogen 3.136 N/A TYR 174.A N THR 170.A O no hydrogen 2.954 N/A VAL 175.A N ARG 171.A O no hydrogen 2.915 N/A ALA 176.A N LYS 172.A O no hydrogen 3.122 N/A THR 177.A N ALA 173.A O no hydrogen 2.808 N/A THR 177.A OG1 ALA 173.A O no hydrogen 2.913 N/A MET 178.A N TYR 174.A O no hydrogen 2.923 N/A GLN 179.A N VAL 175.A O no hydrogen 2.951 N/A GLN 179.A NE2 GLU 183.A OE1 no hydrogen 3.015 N/A TRP 180.A N ALA 176.A O no hydrogen 3.251 N/A ILE 181.A N THR 177.A O no hydrogen 3.360 N/A ARG 182.A N MET 178.A O no hydrogen 2.825 N/A GLU 183.A N GLN 179.A O no hydrogen 2.898 N/A GLN 184.A N ILE 181.A O no hydrogen 2.990 N/A GLN 184.A NE2 TRP 180.A O no hydrogen 3.251 N/A GLY 185.A N ARG 182.A O no hydrogen 3.199 N/A GLY 186.A N ILE 181.A O no hydrogen 2.922 N/A TYR 189.A N GLY 127.A O no hydrogen 2.664 N/A TYR 189.A OH ALA 104.A O no hydrogen 2.694 N/A GLU 192.A N ASP 190.A OD2 no hydrogen 2.882 N/A PHE 193.A N ASP 190.A O no hydrogen 2.863 N/A ILE 194.A N ASP 190.A O no hydrogen 3.336 N/A ARG 195.A N PRO 191.A O no hydrogen 2.993 N/A ARG 195.A NE GLU 192.A OE2 no hydrogen 3.500 N/A LYS 196.A N PHE 193.A O no hydrogen 2.956 N/A LYS 196.A NZ GLU 192.A O no hydrogen 3.034 N/A VAL 197.A N ILE 194.A O no hydrogen 3.115 N/A THR 201.A N ASP 226.A O no hydrogen 2.892 N/A THR 201.A OG1 VAL 199.A O no hydrogen 3.017 N/A LEU 202.A N LEU 120.A O no hydrogen 2.818 N/A VAL 203.A N TRP 228.A O no hydrogen 2.873 N/A VAL 204.A N LEU 122.A O no hydrogen 2.636 N/A GLN 205.A N TYR 230.A O no hydrogen 2.984 N/A GLN 205.A NE2 GLY 206.A O no hydrogen 3.028 N/A GLN 205.A NE2 ASP 209.A OD2 no hydrogen 3.291 N/A GLN 205.A NE2 VAL 212.A O no hydrogen 2.795 N/A LYS 207.A N ILE 232.A O no hydrogen 2.803 N/A ASP 208.A N CYS 235.A O no hydrogen 2.938 N/A ASP 209.A N GLY 206.A O no hydrogen 3.312 N/A VAL 211.A N ASP 209.A OD1 no hydrogen 2.859 N/A VAL 212.A N ASP 209.A OD1 no hydrogen 2.845 N/A THR 216.A N PRO 213.A O no hydrogen 2.957 N/A THR 216.A OG1 PRO 213.A O no hydrogen 2.834 N/A ALA 217.A N VAL 214.A O no hydrogen 2.946 N/A LYS 219.A N GLU 215.A O no hydrogen 3.033 N/A PHE 220.A N THR 216.A O no hydrogen 2.931 N/A LEU 221.A N ALA 217.A O no hydrogen 2.833 N/A ASP 222.A N TYR 218.A O no hydrogen 3.127 N/A ASP 222.A N LYS 219.A O no hydrogen 3.084 N/A LEU 223.A N LYS 219.A O no hydrogen 2.966 N/A ILE 224.A N PHE 220.A O no hydrogen 2.848 N/A SER 227.A N ILE 224.A O no hydrogen 3.324 N/A SER 227.A OG ILE 224.A O no hydrogen 2.661 N/A TRP 228.A N THR 201.A O no hydrogen 2.703 N/A TYR 230.A N VAL 203.A O no hydrogen 2.876 N/A TYR 230.A OH ASP 246.A OD2 no hydrogen 2.587 N/A ILE 232.A N GLN 205.A O no hydrogen 2.877 N/A CYS 235.A N ASP 208.A OD2 no hydrogen 3.187 N/A CYS 235.A SG GLY 236.A O no hydrogen 3.796 N/A GLY 236.A N GLU 242.A OE1 no hydrogen 2.672 N/A HIS 237.A N LEU 146.A O no hydrogen 2.807 N/A HIS 237.A ND1 ASP 209.A OD2 no hydrogen 2.649 N/A TRP 238.A N GLU 242.A OE2 no hydrogen 2.968 N/A ILE 241.A N TRP 238.A O no hydrogen 2.932 N/A GLU 242.A N TRP 238.A O no hydrogen 2.860 N/A HIS 243.A N ALA 239.A O no hydrogen 2.883 N/A HIS 243.A NE2 HIS 234.A O no hydrogen 2.831 N/A PHE 247.A N HIS 243.A O no hydrogen 2.928 N/A ALA 248.A N PRO 244.A O no hydrogen 2.814 N/A ASN 249.A N GLU 245.A O no hydrogen 3.010 N/A ALA 250.A N ASP 246.A O no hydrogen 3.045 N/A THR 251.A N PHE 247.A O no hydrogen 2.973 N/A THR 251.A OG1 PHE 247.A O no hydrogen 2.926 N/A LEU 252.A N ALA 248.A O no hydrogen 2.859 N/A SER 253.A N ASN 249.A O no hydrogen 2.922 N/A PHE 254.A N ALA 250.A O no hydrogen 3.043 N/A LEU 255.A N THR 251.A O no hydrogen 2.900 N/A SER 256.A N LEU 252.A O no hydrogen 2.904 N/A SER 256.A OG SER 253.A O no hydrogen 2.586 N/A LEU 257.A N PHE 254.A O no hydrogen 3.267 N/A ARG 258.A N PHE 254.A O no hydrogen 3.393 N/A