Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4m4k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 ASP 66.A OD2 no hydrogen 2.473 N/A LYS 3.A N ASP 66.A OD1 no hydrogen 2.976 N/A MET 4.A N ALA 34.A O no hydrogen 2.976 N/A ALA 5.A N TYR 67.A O no hydrogen 2.830 N/A LEU 6.A N HIS 36.A O no hydrogen 2.847 N/A LEU 7.A N ALA 69.A O no hydrogen 2.821 N/A VAL 8.A N PHE 38.A O no hydrogen 2.912 N/A PHE 10.A N LEU 40.A O no hydrogen 2.865 N/A ARG 11.A NE GLN 42.A O no hydrogen 3.210 N/A ARG 11.A NH1 PHE 46.A O no hydrogen 3.061 N/A ARG 11.A NH2 GLN 42.A O no hydrogen 3.401 N/A ARG 11.A NH2 PHE 46.A O no hydrogen 2.877 N/A ARG 13.A NH1 ASP 12.A O no hydrogen 2.760 N/A GLU 16.A N GLU 16.A OE1 no hydrogen 2.675 N/A LEU 17.A N ARG 13.A O no hydrogen 2.930 N/A LEU 18.A N PHE 14.A O no hydrogen 2.991 N/A GLN 19.A N GLU 15.A O no hydrogen 3.185 N/A PHE 20.A N GLU 16.A O no hydrogen 2.772 N/A VAL 21.A N LEU 17.A O no hydrogen 3.081 N/A HIS 23.A N GLN 19.A O no hydrogen 3.360 N/A MET 24.A N PHE 20.A O no hydrogen 2.874 N/A THR 25.A N VAL 21.A O no hydrogen 3.072 N/A THR 25.A OG1 VAL 21.A O no hydrogen 2.648 N/A ALA 26.A N PRO 22.A O no hydrogen 3.114 N/A PHE 27.A N HIS 23.A O no hydrogen 2.968 N/A LEU 28.A N MET 24.A O no hydrogen 2.883 N/A LYS 29.A N THR 25.A O no hydrogen 2.941 N/A ARG 30.A N ALA 26.A O no hydrogen 3.038 N/A ARG 30.A NE ASP 80.A OD1 no hydrogen 3.323 N/A ARG 30.A NE ASP 80.A OD2 no hydrogen 2.961 N/A ARG 30.A NH2 ASP 80.A OD1 no hydrogen 2.881 N/A GLN 31.A N LEU 28.A O no hydrogen 3.298 N/A GLN 31.A NE2 LEU 82.A O no hydrogen 3.020 N/A GLY 32.A N LYS 29.A O no hydrogen 3.094 N/A VAL 33.A N LEU 28.A O no hydrogen 2.940 N/A HIS 35.A ND1 VAL 33.A O no hydrogen 2.865 N/A HIS 36.A N MET 4.A O no hydrogen 3.123 N/A HIS 36.A NE2 THR 219.A OG1 no hydrogen 2.710 N/A PHE 38.A N LEU 6.A O no hydrogen 2.853 N/A VAL 39.A N THR 219.A O no hydrogen 2.700 N/A LEU 40.A N VAL 8.A O no hydrogen 2.859 N/A ASN 41.A N LEU 221.A O no hydrogen 2.876 N/A ASN 41.A ND2 ASN 222.A OD1 no hydrogen 2.988 N/A GLN 42.A N PHE 10.A O no hydrogen 3.016 N/A GLN 42.A NE2 ASP 44.A OD1 no hydrogen 2.846 N/A GLN 42.A NE2 ASP 44.A OD2 no hydrogen 3.488 N/A GLN 42.A NE2 ARG 47.A O no hydrogen 2.869 N/A VAL 43.A N ILE 223.A O no hydrogen 2.712 N/A PHE 46.A N ASP 44.A OD1 no hydrogen 2.862 N/A ARG 47.A N CYS 235.A O no hydrogen 2.862 N/A ARG 47.A NE ASP 178.A OD2 no hydrogen 2.739 N/A ARG 47.A NH1 ASP 178.A O no hydrogen 3.236 N/A ARG 47.A NH1 ASP 178.A OD1 no hydrogen 2.763 N/A ARG 47.A NH1 GLN 180.A O no hydrogen 2.805 N/A ARG 47.A NH2 GLN 180.A O no hydrogen 3.420 N/A ARG 47.A NH2 GLN 185.A OE1 no hydrogen 2.889 N/A ARG 47.A NH2 TRP 234.A O no hydrogen 2.993 N/A ASN 49.A N GLN 42.A OE1 no hydrogen 2.844 N/A ASN 49.A ND2 ASN 129.A O no hydrogen 3.145 N/A ARG 50.A NH1 GLU 137.A OE2 no hydrogen 2.809 N/A SER 52.A N ASN 49.A OD1 no hydrogen 3.120 N/A SER 52.A OG ASN 129.A OD1 no hydrogen 2.643 N/A LEU 53.A N ASN 49.A O no hydrogen 3.110 N/A ILE 54.A N ARG 50.A O no hydrogen 2.980 N/A ASN 55.A N ALA 51.A O no hydrogen 2.974 N/A ASN 55.A ND2 MET 127.A O no hydrogen 2.784 N/A ASN 55.A ND2 ASN 129.A OD1 no hydrogen 3.033 N/A VAL 56.A N SER 52.A O no hydrogen 2.944 N/A GLY 57.A N LEU 53.A O no hydrogen 2.858 N/A PHE 58.A N ILE 54.A O no hydrogen 2.769 N/A GLN 59.A N ASN 55.A O no hydrogen 3.004 N/A GLN 59.A NE2 LEU 198.A O no hydrogen 2.975 N/A PHE 60.A N VAL 56.A O no hydrogen 2.914 N/A ALA 61.A N GLY 57.A O no hydrogen 2.939 N/A VAL 64.A N SER 62.A OG no hydrogen 3.173 N/A TYR 65.A N SER 62.A O no hydrogen 3.271 N/A ASP 66.A N LYS 3.A O no hydrogen 3.037 N/A TYR 67.A N LYS 3.A O no hydrogen 3.477 N/A TYR 67.A OH TYR 84.A O no hydrogen 2.553 N/A ILE 68.A N VAL 116.A O no hydrogen 2.842 N/A ALA 69.A N ALA 5.A O no hydrogen 2.811 N/A MET 70.A N LEU 114.A O no hydrogen 2.897 N/A HIS 71.A N LEU 7.A O no hydrogen 2.932 N/A HIS 71.A ND1 ASP 72.A O no hydrogen 2.883 N/A HIS 71.A NE2 TYR 84.A OH no hydrogen 2.850 N/A ASP 72.A N GLY 112.A O no hydrogen 2.949 N/A LEU 76.A N SER 167.A O no hydrogen 2.998 N/A LEU 78.A N THR 165.A O no hydrogen 2.781 N/A ASN 79.A ND2 THR 160.A OG1 no hydrogen 2.977 N/A ASN 81.A N ASN 79.A OD1 no hydrogen 2.742 N/A ASN 81.A ND2 ASN 79.A OD1 no hydrogen 2.960 N/A LEU 82.A N ASN 79.A O no hydrogen 2.997 N/A TYR 84.A N GLN 31.A OE1 no hydrogen 2.707 N/A TYR 84.A OH HIS 71.A NE2 no hydrogen 2.850 N/A LEU 90.A N SER 88.A OG no hydrogen 3.102 N/A LEU 93.A N LEU 115.A O no hydrogen 2.942 N/A HIS 94.A N THR 153.A O no hydrogen 2.768 N/A HIS 94.A NE2 GLY 111.A O no hydrogen 2.902 N/A ILE 95.A N ILE 113.A O no hydrogen 3.024 N/A LEU 100.A N GLY 97.A O no hydrogen 2.740 N/A HIS 101.A N GLY 97.A O no hydrogen 2.736 N/A LYS 103.A N HIS 101.A ND1 no hydrogen 2.950 N/A TYR 104.A N HIS 101.A ND1 no hydrogen 3.106 N/A TYR 106.A OH ASP 139.A OD1 no hydrogen 2.590 N/A PHE 109.A N TYR 106.A O no hydrogen 3.122 N/A ILE 113.A N GLY 111.A O no hydrogen 2.816 N/A LEU 114.A N MET 70.A O no hydrogen 3.148 N/A LEU 115.A N LEU 93.A O no hydrogen 2.798 N/A VAL 116.A N ILE 68.A O no hydrogen 2.812 N/A ARG 117.A NE PRO 87.A O no hydrogen 2.798 N/A ARG 117.A NH2 PRO 87.A O no hydrogen 3.026 N/A ARG 118.A N ASP 66.A O no hydrogen 2.800 N/A ARG 118.A NE TYR 65.A O no hydrogen 2.957 N/A ARG 118.A NH2 ALA 61.A O no hydrogen 3.057 N/A ARG 118.A NH2 TYR 65.A O no hydrogen 3.404 N/A PHE 121.A N ARG 117.A O no hydrogen 2.919 N/A LYS 122.A N ARG 118.A O no hydrogen 2.916 N/A GLN 123.A N GLU 119.A O no hydrogen 2.761 N/A MET 124.A N HIS 120.A O no hydrogen 2.992 N/A MET 124.A N PHE 121.A O no hydrogen 3.297 N/A ASN 125.A N LYS 122.A O no hydrogen 2.833 N/A ASN 125.A ND2 ASP 199.A OD1 no hydrogen 3.097 N/A GLY 126.A N PHE 121.A O no hydrogen 2.844 N/A MET 127.A N ASN 55.A OD1 no hydrogen 2.969 N/A SER 128.A OG ASP 193.A OD2 no hydrogen 2.582 N/A ASN 129.A N THR 196.A OG1 no hydrogen 2.901 N/A ASN 129.A ND2 GLY 197.A O no hydrogen 2.932 N/A ASN 129.A ND2 ASN 200.A OD1 no hydrogen 3.371 N/A GLN 130.A N SER 128.A OG no hydrogen 3.219 N/A GLN 130.A NE2 TYR 131.A OH no hydrogen 3.280 N/A GLN 130.A NE2 MET 188.A O no hydrogen 3.542 N/A GLN 130.A NE2 LYS 191.A O no hydrogen 3.359 N/A TYR 131.A OH THR 189.A O no hydrogen 2.741 N/A TRP 132.A N GLN 130.A O no hydrogen 3.181 N/A TRP 132.A NE1 THR 232.A OG1 no hydrogen 3.096 N/A GLY 133.A N PHE 48.A O no hydrogen 2.814 N/A TRP 134.A N ASP 178.A O no hydrogen 2.859 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.918 N/A ASN 138.A N ASN 138.A OD1 no hydrogen 2.573 N/A GLU 140.A N LEU 136.A O no hydrogen 3.077 N/A PHE 141.A N GLU 137.A O no hydrogen 3.142 N/A PHE 142.A N ASN 138.A O no hydrogen 2.960 N/A VAL 143.A N GLU 140.A O no hydrogen 2.944 N/A ARG 144.A N GLU 140.A O no hydrogen 3.007 N/A ARG 144.A NE GLU 140.A OE1 no hydrogen 3.286 N/A ARG 144.A NE GLU 140.A OE2 no hydrogen 2.902 N/A ARG 144.A NH1 MET 124.A O no hydrogen 3.295 N/A ARG 144.A NH1 GLY 126.A O no hydrogen 3.043 N/A ARG 144.A NH1 THR 196.A O no hydrogen 3.511 N/A ARG 144.A NH2 THR 196.A O no hydrogen 2.781 N/A ILE 145.A N PHE 141.A O no hydrogen 2.897 N/A ARG 146.A N PHE 142.A O no hydrogen 3.115 N/A ASP 147.A N VAL 143.A O no hydrogen 2.761 N/A ALA 148.A N ARG 144.A O no hydrogen 3.049 N/A ALA 148.A N ILE 145.A O no hydrogen 3.234 N/A GLY 149.A N ARG 146.A O no hydrogen 3.097 N/A LEU 150.A N ILE 145.A O no hydrogen 3.054 N/A GLN 151.A N LEU 90.A O no hydrogen 2.711 N/A THR 153.A N PRO 92.A O no hydrogen 2.865 N/A ARG 154.A NE HIS 94.A ND1 no hydrogen 2.958 N/A ARG 154.A NH2 HIS 94.A ND1 no hydrogen 3.404 N/A ARG 154.A NH2 PHE 109.A O no hydrogen 2.955 N/A GLN 156.A NE2 ARG 154.A O no hydrogen 2.691 N/A LYS 159.A NZ ASN 157.A O no hydrogen 2.970 N/A THR 160.A OG1 THR 165.A OG1 no hydrogen 2.677 N/A GLY 161.A N ASP 164.A OD1 no hydrogen 2.704 N/A ASP 164.A N GLY 161.A O no hydrogen 3.303 N/A THR 165.A N GLY 161.A O no hydrogen 3.128 N/A THR 165.A OG1 THR 160.A OG1 no hydrogen 2.677 N/A THR 165.A OG1 GLY 161.A O no hydrogen 2.699 N/A SER 167.A N LEU 76.A O no hydrogen 2.990 N/A HIS 170.A NE2 ARG 175.A O no hydrogen 2.755 N/A ARG 172.A NE TYR 173.A OH no hydrogen 3.000 N/A ARG 172.A NH2 TYR 173.A OH no hydrogen 3.092 N/A TYR 173.A N ASN 171.A OD1 no hydrogen 2.944 N/A HIS 174.A N ASN 171.A O no hydrogen 2.948 N/A HIS 174.A N ASN 171.A OD1 no hydrogen 3.235 N/A ARG 175.A N ASN 171.A O no hydrogen 2.926 N/A ARG 175.A NE GLU 16.A OE2 no hydrogen 2.864 N/A ARG 175.A NH2 GLU 16.A OE1 no hydrogen 3.150 N/A ARG 175.A NH2 GLU 16.A OE2 no hydrogen 3.459 N/A LYS 176.A NZ TYR 173.A O no hydrogen 3.136 N/A THR 179.A OG1 ARG 177.A O no hydrogen 3.545 N/A LYS 181.A NZ THR 179.A O no hydrogen 2.943 N/A ASN 184.A ND2 GLU 187.A OE2 no hydrogen 3.146 N/A GLN 185.A N CYS 182.A O no hydrogen 3.231 N/A GLN 185.A NE2 GLN 180.A O no hydrogen 3.602 N/A MET 188.A N ASN 184.A O no hydrogen 3.084 N/A THR 189.A N GLN 185.A O no hydrogen 2.882 N/A THR 189.A OG1 GLN 185.A O no hydrogen 2.868 N/A LYS 191.A N MET 188.A O no hydrogen 3.341 N/A LYS 191.A NZ GLU 187.A OE1 no hydrogen 3.551 N/A ARG 192.A NE ASP 147.A OD2 no hydrogen 2.995 N/A ARG 192.A NH1 GLU 140.A OE1 no hydrogen 3.001 N/A ARG 192.A NH2 ASP 147.A OD2 no hydrogen 3.177 N/A ASP 193.A N GLU 140.A OE1 no hydrogen 2.937 N/A LYS 195.A N ASP 193.A OD1 no hydrogen 2.940 N/A THR 196.A N ASP 193.A OD1 no hydrogen 3.032 N/A THR 196.A OG1 ASP 193.A OD2 no hydrogen 2.452 N/A GLY 197.A N ASN 200.A OD1 no hydrogen 2.940 N/A LEU 198.A N ASN 125.A O no hydrogen 2.812 N/A ASP 199.A N ASN 125.A OD1 no hydrogen 2.887 N/A ASN 200.A N GLY 197.A O no hydrogen 3.169 N/A ASN 200.A ND2 LYS 195.A O no hydrogen 3.035 N/A TYR 203.A OH GLN 59.A OE1 no hydrogen 2.518 N/A LYS 204.A N LEU 224.A O no hydrogen 3.009 N/A LEU 206.A N ASN 222.A O no hydrogen 2.959 N/A HIS 209.A N ILE 220.A O no hydrogen 2.853 N/A MET 211.A N VAL 218.A O no hydrogen 2.852 N/A ILE 213.A N VAL 216.A O no hydrogen 2.895 N/A VAL 216.A N ILE 213.A O no hydrogen 3.119 N/A VAL 218.A N MET 211.A O no hydrogen 2.736 N/A THR 219.A N ILE 37.A O no hydrogen 2.929 N/A THR 219.A OG1 HIS 36.A NE2 no hydrogen 2.710 N/A THR 219.A OG1 GLU 210.A OE1 no hydrogen 2.795 N/A ILE 220.A N HIS 209.A O no hydrogen 2.793 N/A LEU 221.A N VAL 39.A O no hydrogen 2.840 N/A ASN 222.A N LYS 207.A O no hydrogen 2.871 N/A ILE 223.A N ASN 41.A O no hydrogen 2.656 N/A LEU 224.A N LYS 204.A O no hydrogen 2.873 N/A LEU 225.A N ASP 44.A OD2 no hydrogen 2.681 N/A ASP 226.A N LYS 202.A O no hydrogen 2.976 N/A CYS 227.A SG THR 232.A O no hydrogen 3.243 N/A CYS 227.A SG THR 232.A OG1 no hydrogen 3.677 N/A ASN 230.A N ASP 228.A OD1 no hydrogen 2.895 N/A LYS 231.A N ASP 228.A O no hydrogen 2.942 N/A THR 232.A N ASP 228.A O no hydrogen 2.885 N/A TRP 234.A NE1 GLN 130.A O no hydrogen 2.883 N/A CYS 235.A N THR 232.A O no hydrogen 2.997 N/A CYS 235.A SG THR 232.A O no hydrogen 3.333 N/A CYS 235.A SG PRO 233.A O no hydrogen 3.958 N/A ASP 236.A N PRO 233.A O no hydrogen 3.201 N/A SER 238.A N ASP 236.A OD1 no hydrogen 2.946 N/A SER 238.A OG ASP 236.A OD1 no hydrogen 2.681 N/A SER 238.A OG ASP 236.A OD2 no hydrogen 2.980 N/A