Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2j5i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASP 49.A OD1 no hydrogen 2.361 N/A GLU 3.A N THR 1.A OG1 no hydrogen 3.129 N/A ARG 5.A N TYR 2.A O no hydrogen 2.965 N/A TRP 6.A NE1 ASP 41.A OD2 no hydrogen 2.766 N/A LYS 7.A N GLU 38.A OE2 no hydrogen 2.861 N/A THR 8.A N GLU 38.A OE1 no hydrogen 2.688 N/A THR 8.A OG1 GLU 38.A OE1 no hydrogen 2.513 N/A LYS 10.A N ILE 21.A O no hydrogen 2.932 N/A GLU 12.A N PHE 19.A O no hydrogen 2.958 N/A GLU 14.A N ILE 17.A O no hydrogen 2.790 N/A ILE 17.A N GLU 14.A O no hydrogen 3.025 N/A ALA 18.A N VAL 54.A O no hydrogen 2.811 N/A PHE 19.A N GLU 12.A O no hydrogen 2.828 N/A VAL 20.A N VAL 56.A O no hydrogen 2.761 N/A ILE 21.A N LYS 10.A O no hydrogen 2.796 N/A LEU 22.A N THR 58.A O no hydrogen 2.899 N/A ASN 23.A N THR 8.A O no hydrogen 2.672 N/A ARG 24.A N ASN 29.A OD1 no hydrogen 2.832 N/A ARG 24.A NH1 ALA 30.A O no hydrogen 2.826 N/A ARG 24.A NH1 ASP 69.A OD2 no hydrogen 2.832 N/A ARG 24.A NH2 ASP 69.A OD2 no hydrogen 3.408 N/A GLU 26.A N GLU 26.A OE2 no hydrogen 2.841 N/A LYS 27.A N ARG 24.A O no hydrogen 2.828 N/A ARG 28.A N PRO 25.A O no hydrogen 3.060 N/A ASN 29.A N ARG 24.A O no hydrogen 2.883 N/A ASN 29.A ND2 ALA 60.A O no hydrogen 2.998 N/A ASN 29.A ND2 TRP 64.A O no hydrogen 3.078 N/A ALA 30.A N LYS 27.A O no hydrogen 3.188 N/A MET 31.A N GLY 67.A O no hydrogen 2.682 N/A LEU 35.A N SER 32.A OG no hydrogen 3.057 N/A ASN 36.A N SER 32.A O no hydrogen 2.952 N/A ARG 37.A N PRO 33.A O no hydrogen 3.085 N/A ARG 37.A NH1 GLU 91.A OE1 no hydrogen 2.989 N/A GLU 38.A N THR 34.A O no hydrogen 2.919 N/A MET 39.A N LEU 35.A O no hydrogen 2.843 N/A ILE 40.A N ASN 36.A O no hydrogen 3.070 N/A ASP 41.A N ARG 37.A O no hydrogen 3.319 N/A VAL 42.A N GLU 38.A O no hydrogen 2.870 N/A LEU 43.A N MET 39.A O no hydrogen 2.903 N/A GLU 44.A N ILE 40.A O no hydrogen 2.929 N/A THR 45.A N ASP 41.A O no hydrogen 2.907 N/A THR 45.A OG1 ASP 41.A O no hydrogen 2.614 N/A THR 45.A OG1 ASP 41.A OD1 no hydrogen 3.497 N/A LEU 46.A N VAL 42.A O no hydrogen 2.911 N/A GLU 47.A N LEU 43.A O no hydrogen 2.967 N/A GLN 48.A N THR 45.A O no hydrogen 3.210 N/A ASP 49.A N LEU 46.A O no hydrogen 3.235 N/A ALA 51.A N ASP 49.A OD2 no hydrogen 2.812 N/A ALA 52.A N ASP 49.A O no hydrogen 3.031 N/A GLY 53.A N GLY 16.A O no hydrogen 2.770 N/A VAL 54.A N GLY 16.A O no hydrogen 3.036 N/A LEU 55.A N PRO 106.A O no hydrogen 2.982 N/A VAL 56.A N ALA 18.A O no hydrogen 2.843 N/A LEU 57.A N ILE 108.A O no hydrogen 2.862 N/A THR 58.A N VAL 20.A O no hydrogen 2.864 N/A THR 58.A OG1 MET 110.A O no hydrogen 2.719 N/A THR 58.A OG1 ASN 112.A OD1 no hydrogen 3.112 N/A GLY 59.A N ASN 112.A OD1 no hydrogen 3.153 N/A ALA 60.A N LEU 22.A O no hydrogen 2.741 N/A TRP 64.A N TRP 114.A O no hydrogen 2.865 N/A TRP 64.A NE1 LEU 57.A O no hydrogen 2.934 N/A THR 65.A OG1 ASN 29.A O no hydrogen 2.747 N/A ALA 66.A N ARG 28.A O no hydrogen 2.922 N/A GLY 67.A N THR 65.A OG1 no hydrogen 2.993 N/A ASP 69.A N MET 31.A O no hydrogen 3.075 N/A GLU 72.A N ASP 69.A OD1 no hydrogen 3.211 N/A TYR 73.A N ASP 69.A O no hydrogen 2.960 N/A TYR 73.A OH GLN 85.A OE1 no hydrogen 2.667 N/A PHE 74.A N LEU 70.A O no hydrogen 2.772 N/A ARG 75.A N LYS 71.A O no hydrogen 2.867 N/A ARG 75.A NH1 GLU 72.A OE1 no hydrogen 3.077 N/A GLU 76.A N GLU 72.A O no hydrogen 3.060 N/A VAL 77.A N TYR 73.A O no hydrogen 2.960 N/A ASP 78.A N PHE 74.A O no hydrogen 2.875 N/A ALA 79.A N ARG 75.A O no hydrogen 3.110 N/A GLY 80.A N GLU 76.A O no hydrogen 2.805 N/A LEU 84.A N PRO 81.A O no hydrogen 2.979 N/A GLN 85.A N GLU 82.A O no hydrogen 3.341 N/A LYS 87.A N ILE 83.A O no hydrogen 3.375 N/A LYS 87.A NZ GLU 91.A OE2 no hydrogen 3.044 N/A ILE 88.A N LEU 84.A O no hydrogen 2.961 N/A ARG 89.A N GLN 85.A O no hydrogen 2.962 N/A ARG 89.A NE TYR 73.A OH no hydrogen 3.519 N/A ARG 90.A N GLU 86.A O no hydrogen 2.844 N/A GLU 91.A N LYS 87.A O no hydrogen 2.872 N/A ALA 92.A N ILE 88.A O no hydrogen 2.971 N/A SER 93.A N ARG 89.A O no hydrogen 3.067 N/A SER 93.A OG ARG 89.A O no hydrogen 3.419 N/A GLN 94.A N.A ARG 90.A O no hydrogen 2.880 N/A GLN 94.A N.B ARG 90.A O no hydrogen 2.886 N/A TRP 95.A NE1 ASN 36.A OD1 no hydrogen 2.867 N/A GLN 96.A N ALA 92.A O no hydrogen 3.089 N/A TRP 97.A N SER 93.A O no hydrogen 3.075 N/A TRP 97.A NE1 ASN 150.A OD1 no hydrogen 2.913 N/A LYS 98.A N SER 93.A O no hydrogen 2.936 N/A LEU 99.A N GLN 94.A O.A no hydrogen 2.821 N/A LEU 99.A N GLN 94.A O.B no hydrogen 2.719 N/A ARG 101.A N TRP 97.A O no hydrogen 2.830 N/A ARG 101.A NH2 GLU 226.A OE2 no hydrogen 2.985 N/A TYR 103.A N LEU 100.A O no hydrogen 3.230 N/A TYR 103.A OH LEU 43.A O no hydrogen 2.624 N/A LYS 105.A NZ LEU 46.A O no hydrogen 2.855 N/A LYS 105.A NZ GLU 47.A O no hydrogen 3.197 N/A LYS 105.A NZ ALA 52.A O no hydrogen 2.647 N/A THR 107.A N ASP 127.A OD1 no hydrogen 2.985 N/A ILE 108.A N LEU 55.A O no hydrogen 2.828 N/A ALA 109.A N LEU 128.A O no hydrogen 2.806 N/A MET 110.A N LEU 57.A O no hydrogen 2.932 N/A VAL 111.A N ILE 130.A O no hydrogen 2.847 N/A ASN 112.A ND2 ALA 63.A O no hydrogen 3.004 N/A TRP 114.A NE1 GLU 62.A OE1 no hydrogen 3.254 N/A CYS 115.A N THR 136.A O no hydrogen 2.928 N/A PHE 116.A N THR 65.A O no hydrogen 3.068 N/A GLY 117.A N GLY 138.A O no hydrogen 2.992 N/A GLY 119.A N PHE 116.A O no hydrogen 3.069 N/A PHE 120.A N GLY 117.A O no hydrogen 2.963 N/A SER 121.A N GLY 118.A O no hydrogen 3.334 N/A LEU 123.A N GLY 119.A O no hydrogen 3.096 N/A VAL 124.A N PHE 120.A O no hydrogen 3.098 N/A VAL 124.A N SER 121.A O no hydrogen 3.225 N/A ALA 125.A N SER 121.A O no hydrogen 2.925 N/A CYS 126.A N PRO 122.A O no hydrogen 2.989 N/A CYS 126.A SG PRO 122.A O no hydrogen 3.345 N/A ASP 127.A N THR 107.A OG1 no hydrogen 2.870 N/A LEU 128.A N THR 107.A O no hydrogen 3.193 N/A ALA 129.A N ASN 187.A OD1 no hydrogen 2.976 N/A ILE 130.A N ALA 109.A O no hydrogen 2.828 N/A CYS 131.A N GLU 188.A O no hydrogen 2.956 N/A CYS 131.A SG ALA 132.A O no hydrogen 3.861 N/A CYS 131.A SG GLY 177.A O no hydrogen 3.677 N/A CYS 131.A SG GLU 188.A O no hydrogen 3.887 N/A CYS 131.A SG SER 189.A OG no hydrogen 3.500 N/A ALA 132.A N VAL 111.A O no hydrogen 2.968 N/A ASP 133.A N VAL 190.A O no hydrogen 2.736 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.733 N/A ALA 135.A N ALA 132.A O no hydrogen 2.952 N/A PHE 137.A N PHE 175.A O no hydrogen 2.830 N/A GLY 138.A N CYS 115.A O no hydrogen 3.194 N/A ASN 143.A N SER 140.A O no hydrogen 2.971 N/A TRP 144.A N GLU 141.A O no hydrogen 2.796 N/A GLY 145.A N ILE 142.A O no hydrogen 3.107 N/A ILE 146.A N GLU 141.A O no hydrogen 3.266 N/A ASN 150.A ND2 SER 93.A OG no hydrogen 2.899 N/A LEU 151.A N ASN 150.A OD1 no hydrogen 2.848 N/A VAL 152.A N GLY 149.A O no hydrogen 3.303 N/A ALA 155.A N LEU 151.A O no hydrogen 2.924 N/A MET 156.A N VAL 152.A O no hydrogen 3.065 N/A ALA 157.A N SER 153.A O no hydrogen 2.845 N/A ASP 158.A N LYS 154.A O no hydrogen 2.865 N/A THR 159.A N MET 156.A O no hydrogen 3.024 N/A THR 159.A OG1 ALA 155.A O no hydrogen 2.951 N/A VAL 160.A N MET 156.A O no hydrogen 2.786 N/A SER 165.A N GLY 161.A O no hydrogen 2.838 N/A SER 165.A OG VAL 160.A O no hydrogen 3.147 N/A SER 165.A OG GLY 161.A O no hydrogen 3.025 N/A LEU 166.A N HIS 162.A O no hydrogen 3.052 N/A MET 167.A N ARG 163.A O no hydrogen 2.909 N/A TYR 168.A N GLN 164.A O no hydrogen 3.087 N/A ILE 169.A N SER 165.A O no hydrogen 2.862 N/A MET 170.A N LEU 166.A O no hydrogen 2.776 N/A THR 171.A N MET 167.A O no hydrogen 2.850 N/A THR 171.A OG1 MET 167.A O no hydrogen 2.751 N/A GLY 172.A N TYR 168.A O no hydrogen 3.029 N/A LYS 173.A N THR 171.A OG1 no hydrogen 3.252 N/A PHE 175.A N PHE 137.A O no hydrogen 2.966 N/A GLY 177.A N ASP 133.A O no hydrogen 3.379 N/A ALA 180.A N GLY 176.A O no hydrogen 2.929 N/A ALA 181.A N GLY 177.A O no hydrogen 3.008 N/A GLU 182.A N GLN 178.A O no hydrogen 3.013 N/A MET 183.A N LYS 179.A O no hydrogen 2.945 N/A GLY 184.A N ALA 181.A O no hydrogen 3.138 N/A LEU 185.A N ALA 180.A O no hydrogen 3.007 N/A ASN 187.A N ALA 129.A O no hydrogen 2.806 N/A SER 189.A OG ASP 133.A OD1 no hydrogen 2.708 N/A VAL 190.A N CYS 131.A O no hydrogen 2.972 N/A LEU 192.A N GLU 134.A OE1 no hydrogen 2.797 N/A GLN 194.A N PRO 191.A O no hydrogen 2.806 N/A LEU 195.A N LEU 192.A O no hydrogen 3.126 N/A ARG 196.A NH2 GLU 14.A OE2 no hydrogen 2.553 N/A VAL 198.A N GLN 194.A O no hydrogen 3.039 N/A THR 199.A N LEU 195.A O no hydrogen 3.049 N/A THR 199.A OG1 LEU 195.A O no hydrogen 2.757 N/A ILE 200.A N ARG 196.A O no hydrogen 2.890 N/A GLU 201.A N GLU 197.A O no hydrogen 2.937 N/A LEU 202.A N VAL 198.A O no hydrogen 3.103 N/A ALA 203.A N THR 199.A O no hydrogen 2.887 N/A ARG 204.A N ILE 200.A O no hydrogen 2.857 N/A ARG 204.A NH1 GLU 14.A O no hydrogen 3.023 N/A ARG 204.A NH2 ASP 15.A O no hydrogen 2.906 N/A ASN 205.A N GLU 201.A O no hydrogen 2.947 N/A LEU 206.A N LEU 202.A O no hydrogen 3.031 N/A LEU 207.A N ALA 203.A O no hydrogen 2.930 N/A GLU 208.A N ASN 205.A O no hydrogen 3.126 N/A LYS 209.A N LEU 206.A O no hydrogen 3.067 N/A LYS 209.A NZ ASN 205.A O no hydrogen 3.400 N/A ASN 210.A ND2 ASP 247.A OD2 no hydrogen 2.522 N/A VAL 212.A N ASN 210.A OD1 no hydrogen 3.010 N/A VAL 213.A N ASN 210.A OD1 no hydrogen 3.480 N/A LEU 214.A N ASN 210.A O no hydrogen 2.943 N/A ARG 215.A N PRO 211.A O no hydrogen 2.957 N/A ARG 215.A NE ALA 104.A O no hydrogen 3.162 N/A ALA 216.A N VAL 212.A O no hydrogen 3.020 N/A ALA 217.A N VAL 213.A O no hydrogen 3.021 N/A LYS 218.A N LEU 214.A O no hydrogen 2.989 N/A LYS 218.A NZ TYR 103.A O no hydrogen 2.871 N/A LYS 218.A NZ LYS 105.A O no hydrogen 3.005 N/A LYS 218.A NZ ASP 127.A OD1 no hydrogen 2.888 N/A LYS 218.A NZ ASP 127.A OD2 no hydrogen 3.534 N/A HIS 219.A N ARG 215.A O no hydrogen 2.999 N/A HIS 219.A NE2 TYR 103.A O no hydrogen 2.821 N/A GLY 220.A N ALA 216.A O no hydrogen 2.901 N/A PHE 221.A N ALA 217.A O no hydrogen 2.990 N/A LYS 222.A N LYS 218.A O no hydrogen 3.105 N/A LYS 222.A NZ ARG 101.A O no hydrogen 2.865 N/A LYS 222.A NZ ASP 127.A OD2 no hydrogen 3.069 N/A ARG 223.A N HIS 219.A O no hydrogen 2.921 N/A ARG 223.A NE GLU 226.A OE1 no hydrogen 3.377 N/A ARG 223.A NH1 GLU 226.A OE1 no hydrogen 3.001 N/A CYS 224.A N GLY 220.A O no hydrogen 2.935 N/A CYS 224.A SG PHE 221.A O no hydrogen 3.342 N/A ARG 225.A NH1 ASP 158.A O no hydrogen 2.898 N/A GLU 226.A N ARG 223.A O no hydrogen 2.889 N/A LEU 227.A N CYS 224.A O no hydrogen 3.080 N/A THR 228.A N GLN 231.A OE1 no hydrogen 2.940 N/A THR 228.A OG1 GLU 230.A OE1 no hydrogen 3.522 N/A GLN 231.A N THR 228.A OG1 no hydrogen 3.118 N/A ASN 232.A N THR 228.A O no hydrogen 2.942 N/A ASN 232.A ND2 CYS 224.A O no hydrogen 3.056 N/A GLU 233.A N TRP 229.A O no hydrogen 2.997 N/A TYR 235.A N GLN 231.A O no hydrogen 2.965 N/A LEU 236.A N ASN 232.A O no hydrogen 2.726 N/A TYR 237.A N GLU 233.A O no hydrogen 3.365 N/A ALA 238.A N ASP 234.A O no hydrogen 3.006 N/A LYS 239.A N TYR 235.A O no hydrogen 2.913 N/A LYS 239.A NZ GLN 242.A OE1 no hydrogen 2.893 N/A LEU 240.A N LEU 236.A O no hydrogen 3.007 N/A ASP 241.A N TYR 237.A O no hydrogen 2.927 N/A GLN 242.A N ALA 238.A O no hydrogen 2.852 N/A SER 243.A N LYS 239.A O no hydrogen 2.957 N/A ARG 244.A N LEU 240.A O no hydrogen 3.094 N/A ARG 244.A NH2 ASP 241.A OD1 no hydrogen 2.870 N/A LEU 245.A N ASP 241.A O no hydrogen 2.943 N/A LEU 246.A N GLN 242.A O no hydrogen 3.038 N/A ASP 247.A N SER 243.A O no hydrogen 2.726 N/A THR 248.A N SER 243.A O no hydrogen 2.271 N/A THR 248.A N ARG 244.A O no hydrogen 3.199 N/A