Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3h1j_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 10.A N ASP 125.A OD2 no hydrogen 2.987 N/A TRP 12.A N PHE 10.A O no hydrogen 2.995 N/A TRP 12.A NE1 ASP 125.A OD2 no hydrogen 2.530 N/A HIS 14.A NE2 GLU 124.A OE2 no hydrogen 2.714 N/A GLY 15.A N TRP 12.A O no hydrogen 2.872 N/A SER 19.A N GLY 16.A O no hydrogen 2.636 N/A LEU 21.A N ASP 199.A OD1 no hydrogen 2.898 N/A HIS 23.A ND1 VAL 54.A O no hydrogen 2.831 N/A HIS 23.A NE2 ASP 199.A OD2 no hydrogen 2.961 N/A SER 24.A OG ASP 22.A OD1 no hydrogen 2.897 N/A SER 25.A OG ASP 185.A OD1 no hydrogen 2.648 N/A VAL 26.A N ASP 22.A O no hydrogen 2.964 N/A ARG 27.A N HIS 23.A O no hydrogen 2.766 N/A ARG 27.A NH1 THR 55.A O no hydrogen 2.482 N/A ARG 27.A NH1 GLU 60.A OE2 no hydrogen 3.054 N/A ARG 27.A NH2 GLU 60.A OE1 no hydrogen 2.906 N/A ARG 27.A NH2 GLU 60.A OE2 no hydrogen 3.280 N/A ARG 28.A N SER 24.A O no hydrogen 2.980 N/A ARG 28.A NE ASP 185.A OD1 no hydrogen 2.907 N/A GLY 29.A N SER 25.A O no hydrogen 2.894 N/A PHE 30.A N VAL 26.A O no hydrogen 3.112 N/A GLN 31.A N ARG 27.A O no hydrogen 3.393 N/A GLN 31.A NE2 GLU 170.A O no hydrogen 2.938 N/A VAL 32.A N ARG 28.A O no hydrogen 3.174 N/A TYR 33.A N GLY 29.A O no hydrogen 2.808 N/A TYR 33.A OH HIS 41.A O no hydrogen 2.612 N/A LYS 34.A N PHE 30.A O no hydrogen 2.625 N/A LYS 34.A NZ GLU 67.A OE1 no hydrogen 3.175 N/A GLN 35.A N GLN 31.A O no hydrogen 2.588 N/A VAL 36.A N VAL 32.A O no hydrogen 2.910 N/A CYS 37.A N VAL 32.A O no hydrogen 3.244 N/A CYS 37.A SG VAL 32.A O no hydrogen 3.425 N/A SER 38.A N TYR 33.A O no hydrogen 2.654 N/A SER 38.A OG TYR 33.A O no hydrogen 3.298 N/A SER 38.A OG LYS 34.A O no hydrogen 2.401 N/A CYS 40.A N CYS 37.A O no hydrogen 2.861 N/A CYS 40.A SG TYR 95.A OH no hydrogen 3.749 N/A HIS 41.A N CYS 37.A O no hydrogen 2.890 N/A HIS 41.A ND1 PRO 111.A O no hydrogen 2.706 N/A SER 42.A OG ASP 112.A OD2 no hydrogen 2.941 N/A ASP 44.A N ASP 112.A OD2 no hydrogen 2.706 N/A TYR 45.A N SER 114.A OG no hydrogen 3.129 N/A VAL 46.A N MET 43.A O no hydrogen 3.311 N/A PHE 48.A N ASP 89.A O no hydrogen 3.365 N/A ARG 49.A N ILE 87.A O no hydrogen 2.912 N/A ASN 50.A N ALA 47.A O no hydrogen 2.694 N/A ASN 50.A ND2 ALA 47.A O no hydrogen 3.323 N/A LEU 51.A N PHE 48.A O no hydrogen 3.093 N/A GLY 53.A N HIS 56.A O no hydrogen 2.858 N/A VAL 54.A N LEU 51.A O no hydrogen 2.896 N/A THR 55.A N LEU 51.A O no hydrogen 2.934 N/A THR 55.A OG1 LEU 51.A O no hydrogen 3.562 N/A THR 55.A OG1 HIS 56.A ND1 no hydrogen 2.532 N/A HIS 56.A N LEU 51.A O no hydrogen 3.245 N/A HIS 56.A ND1 THR 55.A OG1 no hydrogen 2.532 N/A THR 57.A N GLU 60.A OE2 no hydrogen 2.917 N/A GLU 60.A N THR 57.A OG1 no hydrogen 3.262 N/A ALA 61.A N THR 57.A O no hydrogen 3.000 N/A LYS 62.A N GLU 58.A O no hydrogen 2.920 N/A ALA 63.A N ALA 59.A O no hydrogen 2.816 N/A LEU 64.A N GLU 60.A O no hydrogen 2.921 N/A ALA 65.A N ALA 61.A O no hydrogen 2.871 N/A GLU 66.A N LYS 62.A O no hydrogen 2.960 N/A GLU 67.A N ALA 63.A O no hydrogen 3.240 N/A VAL 68.A N ALA 65.A O no hydrogen 3.054 N/A VAL 70.A N ARG 83.A O no hydrogen 2.599 N/A ASP 72.A N PHE 81.A O no hydrogen 2.731 N/A ASN 77.A N ASP 75.A OD1 no hydrogen 2.636 N/A GLY 78.A N ASP 75.A O no hydrogen 3.111 N/A GLU 79.A N ASP 75.A OD1 no hydrogen 2.737 N/A PHE 81.A N ASP 72.A O no hydrogen 3.042 N/A ARG 83.A NH1 ASP 89.A OD2 no hydrogen 3.494 N/A ARG 83.A NH2 ASP 89.A OD1 no hydrogen 2.789 N/A ARG 83.A NH2 ASP 89.A OD2 no hydrogen 3.422 N/A LYS 86.A N ASP 89.A OD2 no hydrogen 2.578 N/A ASP 89.A N LYS 86.A O no hydrogen 2.902 N/A PHE 91.A N VAL 46.A O no hydrogen 2.852 N/A LYS 93.A NZ ASP 44.A OD1 no hydrogen 3.047 N/A LYS 93.A NZ ASP 44.A OD2 no hydrogen 3.053 N/A ALA 100.A N ASN 97.A OD1 no hydrogen 2.800 N/A ALA 101.A N ASN 97.A O no hydrogen 3.114 N/A ARG 102.A N PRO 98.A O no hydrogen 2.621 N/A ARG 102.A NH1 GLY 107.A O no hydrogen 2.469 N/A ALA 103.A N GLU 99.A O no hydrogen 2.900 N/A ALA 104.A N ALA 100.A O no hydrogen 3.000 N/A ASN 105.A N ARG 102.A O no hydrogen 2.816 N/A ASN 105.A ND2 TYR 95.A OH no hydrogen 2.885 N/A ASN 105.A ND2 ALA 101.A O no hydrogen 2.987 N/A GLY 107.A N ARG 102.A O no hydrogen 2.761 N/A ALA 108.A N ASN 105.A O no hydrogen 3.029 N/A LEU 113.A N SER 42.A O no hydrogen 2.920 N/A SER 114.A N ASP 112.A OD1 no hydrogen 2.887 N/A SER 114.A OG ASP 112.A OD1 no hydrogen 2.748 N/A SER 114.A OG ASP 112.A OD2 no hydrogen 3.318 N/A ILE 116.A N LEU 113.A O no hydrogen 3.013 N/A ASN 118.A N TYR 115.A O no hydrogen 3.238 N/A ALA 119.A N ILE 116.A O no hydrogen 2.925 N/A ARG 120.A NH1 ALA 119.A O no hydrogen 3.021 N/A GLY 123.A N ARG 120.A O no hydrogen 3.036 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.609 N/A TYR 126.A N GLY 122.A O no hydrogen 3.235 N/A VAL 127.A N GLY 123.A O no hydrogen 2.771 N/A PHE 128.A N GLU 124.A O no hydrogen 2.729 N/A SER 129.A N ASP 125.A O no hydrogen 3.133 N/A SER 129.A OG ASP 125.A O no hydrogen 2.710 N/A LEU 130.A N TYR 126.A O no hydrogen 2.925 N/A LEU 131.A N VAL 127.A O no hydrogen 2.985 N/A THR 132.A N PHE 128.A O no hydrogen 3.132 N/A THR 132.A OG1 PHE 128.A O no hydrogen 3.393 N/A GLY 133.A N SER 129.A O no hydrogen 2.653 N/A TYR 134.A OH MET 160.A O no hydrogen 2.462 N/A CYS 135.A SG ASP 136.A O no hydrogen 3.473 N/A VAL 141.A N PRO 138.A O no hydrogen 3.079 N/A LEU 147.A N ARG 144.A O no hydrogen 2.990 N/A HIS 148.A N ILE 158.A O no hydrogen 2.805 N/A ASN 150.A N GLN 156.A O no hydrogen 2.792 N/A ASN 150.A ND2 LEU 130.A O no hydrogen 2.885 N/A TYR 152.A N ASN 150.A OD1 no hydrogen 3.159 N/A PHE 153.A N ASN 150.A O no hydrogen 3.379 N/A GLN 156.A N PHE 153.A O no hydrogen 2.584 N/A GLN 156.A NE2 LEU 3.A O no hydrogen 3.574 N/A ILE 158.A N HIS 148.A O no hydrogen 2.990 N/A GLU 167.A N ALA 177.A O no hydrogen 2.774 N/A ILE 168.A N TYR 165.A O no hydrogen 3.123 N/A GLY 174.A N TYR 171.A O no hydrogen 2.849 N/A THR 175.A N ASP 173.A OD1 no hydrogen 2.945 N/A THR 175.A OG1 ASP 173.A OD1 no hydrogen 2.767 N/A THR 175.A OG1 ASP 173.A OD2 no hydrogen 2.577 N/A THR 178.A N PRO 176.A O no hydrogen 2.659 N/A THR 178.A OG1 PRO 176.A O no hydrogen 3.389 N/A MET 179.A N ASN 166.A OD1 no hydrogen 3.059 N/A GLN 181.A NE2 ASP 185.A OD2 no hydrogen 2.761 N/A ILE 182.A N THR 178.A O no hydrogen 2.949 N/A ALA 183.A N MET 179.A O no hydrogen 2.965 N/A LYS 184.A N SER 180.A O no hydrogen 2.794 N/A LYS 184.A NZ SER 25.A OG no hydrogen 3.230 N/A ASP 185.A N GLN 181.A O no hydrogen 3.025 N/A VAL 186.A N ILE 182.A O no hydrogen 2.872 N/A CYS 187.A N ALA 183.A O no hydrogen 2.879 N/A CYS 187.A SG GLU 124.A O no hydrogen 3.931 N/A CYS 187.A SG ALA 183.A O no hydrogen 3.376 N/A THR 188.A N LYS 184.A O no hydrogen 3.142 N/A THR 188.A OG1 LYS 184.A O no hydrogen 2.861 N/A PHE 189.A N ASP 185.A O no hydrogen 2.844 N/A LEU 190.A N VAL 186.A O no hydrogen 2.754 N/A ARG 191.A N CYS 187.A O no hydrogen 3.094 N/A ARG 191.A NE GLU 124.A OE1 no hydrogen 3.336 N/A ARG 191.A NE GLU 124.A OE2 no hydrogen 3.196 N/A ARG 191.A NH1 ASN 118.A OD1 no hydrogen 3.306 N/A ARG 191.A NH2 ASN 118.A OD1 no hydrogen 3.408 N/A ARG 191.A NH2 GLU 124.A OE1 no hydrogen 2.923 N/A TRP 192.A N THR 188.A O no hydrogen 3.386 N/A ALA 193.A N PHE 189.A O no hydrogen 2.856 N/A ALA 194.A N LEU 190.A O no hydrogen 3.264 N/A GLU 195.A N ARG 191.A O no hydrogen 3.041 N/A GLU 195.A N TRP 192.A O no hydrogen 2.996 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.710 N/A HIS 198.A N GLU 195.A O no hydrogen 2.684 N/A HIS 198.A ND1 ASP 199.A OD1 no hydrogen 2.753 N/A ARG 201.A N GLU 197.A O no hydrogen 2.727 N/A ARG 201.A NE GLU 195.A OE1 no hydrogen 3.292 N/A ARG 201.A NH2 GLU 195.A OE1 no hydrogen 2.681 N/A LYS 202.A N HIS 198.A O no hydrogen 3.279 N/A LYS 202.A NZ GLY 16.A O no hydrogen 2.908 N/A LYS 202.A NZ SER 19.A O no hydrogen 3.059 N/A LYS 202.A NZ HIS 198.A NE2 no hydrogen 3.185 N/A ARG 203.A N ASP 199.A O no hydrogen 2.957 N/A MET 204.A N GLN 200.A O no hydrogen 2.814 N/A GLY 205.A N ARG 201.A O no hydrogen 3.104 N/A LEU 206.A N LYS 202.A O no hydrogen 3.030 N/A LYS 207.A N ARG 203.A O no hydrogen 3.207 N/A MET 208.A N MET 204.A O no hydrogen 2.689 N/A LEU 209.A N GLY 205.A O no hydrogen 2.912 N/A LEU 210.A N LEU 206.A O no hydrogen 3.211 N/A ILE 211.A N LYS 207.A O no hydrogen 3.009 N/A SER 212.A N MET 208.A O no hydrogen 2.730 N/A ALA 213.A N LEU 209.A O no hydrogen 2.892 N/A LEU 214.A N LEU 210.A O no hydrogen 2.986 N/A LEU 215.A N ILE 211.A O no hydrogen 2.664 N/A THR 216.A N SER 212.A O no hydrogen 2.814 N/A THR 216.A OG1 SER 212.A O no hydrogen 2.656 N/A SER 217.A N ALA 213.A O no hydrogen 2.953 N/A SER 217.A OG ALA 213.A O no hydrogen 2.856 N/A LEU 218.A N LEU 214.A O no hydrogen 3.030 N/A LEU 219.A N LEU 215.A O no hydrogen 2.934 N/A TYR 220.A N THR 216.A O no hydrogen 2.896 N/A TYR 220.A N SER 217.A O no hydrogen 2.747 N/A TYR 221.A N SER 217.A O no hydrogen 2.954 N/A MET 222.A N LEU 218.A O no hydrogen 3.052 N/A LYS 223.A N LEU 219.A O no hydrogen 2.985 N/A ARG 224.A N TYR 220.A O no hydrogen 3.040 N/A HIS 225.A N TYR 221.A O no hydrogen 2.825 N/A LYS 226.A N MET 222.A O no hydrogen 3.341 N/A TRP 227.A N LYS 223.A O no hydrogen 3.102 N/A SER 228.A N ARG 224.A O no hydrogen 2.773 N/A SER 228.A N HIS 225.A O no hydrogen 3.132 N/A SER 228.A OG HIS 225.A O no hydrogen 2.561 N/A LEU 230.A N TRP 227.A O no hydrogen 2.772 N/A LYS 231.A N TRP 227.A O no hydrogen 2.918 N/A SER 232.A N SER 228.A O no hydrogen 3.095 N/A SER 232.A OG SER 228.A O no hydrogen 2.967 N/A ARG 233.A N LEU 230.A O no hydrogen 3.272 N/A