Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3j4r_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N GLU 1.A O no hydrogen 3.192 N/A GLU 5.A N GLU 1.A O no hydrogen 3.411 N/A PHE 6.A N SER 2.A O no hydrogen 2.632 N/A LEU 7.A N VAL 3.A O no hydrogen 3.024 N/A ALA 8.A N LYS 4.A O no hydrogen 2.811 N/A LYS 9.A N GLU 5.A O no hydrogen 2.866 N/A ALA 10.A N PHE 6.A O no hydrogen 2.628 N/A LYS 11.A N LEU 7.A O no hydrogen 2.645 N/A GLU 12.A N ALA 8.A O no hydrogen 3.019 N/A ASP 13.A N LYS 9.A O no hydrogen 3.040 N/A PHE 14.A N ALA 10.A O no hydrogen 2.891 N/A LEU 15.A N LYS 11.A O no hydrogen 2.750 N/A LYS 16.A N GLU 12.A O no hydrogen 3.099 N/A LYS 17.A N ASP 13.A O no hydrogen 3.447 N/A LYS 17.A NZ ASP 13.A O no hydrogen 3.320 N/A TRP 18.A N PHE 14.A O no hydrogen 2.694 N/A GLU 19.A N LEU 15.A O no hydrogen 2.943 N/A THR 20.A OG1 GLU 19.A O no hydrogen 2.579 N/A SER 22.A OG SER 22.A O no hydrogen 2.603 N/A GLN 23.A NE2 PHE 325.A OXT no hydrogen 3.506 N/A ASN 24.A N PHE 325.A OXT no hydrogen 3.420 N/A ASN 24.A ND2 LYS 99.A O no hydrogen 3.138 N/A THR 25.A N SER 97.A O no hydrogen 2.498 N/A THR 25.A OG1 SER 97.A O no hydrogen 3.009 N/A GLN 30.A N GLN 27.A O no hydrogen 3.047 N/A PHE 31.A N LEU 28.A O no hydrogen 3.401 N/A ASP 32.A N LYS 49.A O no hydrogen 2.970 N/A ILE 34.A N LEU 47.A O no hydrogen 3.391 N/A VAL 45.A N GLY 38.A O no hydrogen 3.087 N/A MET 46.A N MET 59.A O no hydrogen 3.114 N/A VAL 48.A N TYR 57.A O no hydrogen 3.210 N/A HIS 50.A N ASN 55.A O no hydrogen 2.703 N/A TYR 57.A N VAL 48.A O no hydrogen 3.016 N/A ALA 58.A N MET 108.A O no hydrogen 2.708 N/A MET 59.A N MET 46.A O no hydrogen 3.312 N/A LYS 60.A N MET 106.A O no hydrogen 2.730 N/A ILE 61.A N ARG 44.A O no hydrogen 2.763 N/A LEU 62.A N LEU 104.A O no hydrogen 2.915 N/A LYS 64.A N SER 102.A O no hydrogen 3.092 N/A VAL 67.A N ASP 63.A O no hydrogen 3.405 N/A THR 76.A OG1 ILE 73.A O no hydrogen 2.977 N/A ASN 78.A N GLU 74.A O no hydrogen 2.721 N/A LYS 80.A N THR 76.A O no hydrogen 2.734 N/A LYS 80.A NZ SER 22.A O no hydrogen 3.529 N/A LYS 80.A NZ PHE 325.A O no hydrogen 2.769 N/A ARG 81.A NE TRP 18.A O no hydrogen 2.837 N/A ARG 81.A NH2 TRP 18.A O no hydrogen 2.615 N/A ILE 82.A N ASN 78.A O no hydrogen 3.130 N/A ILE 82.A N GLU 79.A O no hydrogen 3.288 N/A LEU 83.A N GLU 79.A O no hydrogen 3.097 N/A GLN 84.A N LYS 80.A O no hydrogen 3.174 N/A ALA 85.A N ILE 82.A O no hydrogen 2.858 N/A VAL 86.A N ILE 82.A O no hydrogen 2.976 N/A ASN 87.A N TYR 144.A OH no hydrogen 2.653 N/A LEU 91.A N PHE 88.A O no hydrogen 3.209 N/A VAL 92.A N VAL 170.A O no hydrogen 3.127 N/A LYS 93.A NZ ASN 87.A OD1 no hydrogen 3.169 N/A GLU 95.A N VAL 107.A O no hydrogen 2.710 N/A PHE 96.A N VAL 107.A O no hydrogen 3.088 N/A SER 97.A N THR 25.A OG1 no hydrogen 2.872 N/A SER 97.A OG SER 22.A O no hydrogen 3.409 N/A PHE 98.A N TYR 105.A O no hydrogen 3.350 N/A SER 102.A N ASP 100.A O no hydrogen 2.208 N/A LEU 104.A N PHE 98.A O no hydrogen 3.270 N/A TYR 105.A N PHE 98.A O no hydrogen 2.956 N/A MET 106.A N LYS 60.A O no hydrogen 3.065 N/A VAL 107.A N PHE 96.A O no hydrogen 2.643 N/A MET 108.A N ALA 58.A O no hydrogen 2.756 N/A GLU 109.A N LYS 93.A O no hydrogen 2.886 N/A GLY 113.A N VAL 111.A O no hydrogen 2.680 N/A GLY 114.A N ILE 162.A O no hydrogen 3.051 N/A MET 116.A N LEU 160.A O no hydrogen 2.915 N/A PHE 117.A N GLU 115.A OE1 no hydrogen 3.289 N/A HIS 119.A N GLU 115.A O no hydrogen 3.284 N/A LEU 120.A N MET 116.A O no hydrogen 2.982 N/A ARG 121.A N PHE 117.A O no hydrogen 3.089 N/A ARG 121.A NH1 GLU 218.A OE2 no hydrogen 3.002 N/A ARG 121.A NH2 GLU 218.A OE2 no hydrogen 2.889 N/A ARG 122.A N SER 118.A O no hydrogen 3.102 N/A ILE 123.A N HIS 119.A O no hydrogen 3.260 N/A GLY 124.A N ARG 121.A O no hydrogen 3.349 N/A ARG 125.A N ILE 123.A O no hydrogen 2.958 N/A PHE 126.A N MET 219.A O no hydrogen 2.862 N/A HIS 130.A N SER 127.A OG no hydrogen 3.280 N/A ALA 131.A N SER 127.A O no hydrogen 2.829 N/A ARG 132.A N GLU 128.A O no hydrogen 2.789 N/A ARG 132.A NH1 TRP 284.A O no hydrogen 2.928 N/A PHE 133.A N PRO 129.A O no hydrogen 3.025 N/A TYR 134.A N HIS 130.A O no hydrogen 3.323 N/A ALA 135.A N ALA 131.A O no hydrogen 2.890 N/A ALA 136.A N ARG 132.A O no hydrogen 2.981 N/A GLN 137.A NE2 PHE 133.A O no hydrogen 2.930 N/A ILE 138.A N TYR 134.A O no hydrogen 3.233 N/A VAL 139.A N ALA 135.A O no hydrogen 2.871 N/A LEU 140.A N ALA 136.A O no hydrogen 3.025 N/A THR 141.A N GLN 137.A O no hydrogen 3.119 N/A THR 141.A OG1 GLN 137.A O no hydrogen 2.787 N/A PHE 142.A N ILE 138.A O no hydrogen 2.954 N/A GLU 143.A N VAL 139.A O no hydrogen 2.946 N/A TYR 144.A N LEU 140.A O no hydrogen 3.115 N/A LEU 145.A N THR 141.A O no hydrogen 3.006 N/A HIS 146.A N PHE 142.A O no hydrogen 2.826 N/A HIS 146.A NE2 ASP 208.A OD2 no hydrogen 2.883 N/A SER 147.A N GLU 143.A O no hydrogen 3.001 N/A LEU 148.A N LEU 145.A O no hydrogen 2.935 N/A ASP 149.A N HIS 146.A O no hydrogen 2.968 N/A LEU 150.A N LEU 145.A O no hydrogen 2.949 N/A ILE 151.A N LYS 177.A O no hydrogen 2.998 N/A TYR 152.A N ASP 208.A OD2 no hydrogen 3.021 N/A TYR 152.A OH THR 171.A O no hydrogen 2.500 N/A TYR 152.A OH ASP 172.A O no hydrogen 3.161 N/A ARG 153.A N ASP 208.A OD1 no hydrogen 2.910 N/A ARG 153.A NE PHE 175.A O no hydrogen 2.673 N/A ARG 153.A NH1 THR 185.A OG1 no hydrogen 2.592 N/A ARG 153.A NH1 TYR 203.A OH no hydrogen 2.908 N/A ARG 153.A NH2 PHE 175.A O no hydrogen 2.884 N/A LYS 156.A NZ THR 189.A OG1 no hydrogen 2.826 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.486 N/A ASN 159.A N LYS 156.A O no hydrogen 2.767 N/A LEU 160.A N PRO 157.A O no hydrogen 3.019 N/A LEU 161.A N GLN 169.A O no hydrogen 2.962 N/A ILE 162.A N GLY 114.A O no hydrogen 2.768 N/A ASP 163.A N TYR 167.A O no hydrogen 2.897 N/A GLN 165.A N ASP 163.A OD1 no hydrogen 2.809 N/A GLY 166.A N ASP 163.A O no hydrogen 2.718 N/A TYR 167.A N ASP 163.A OD1 no hydrogen 2.836 N/A TYR 167.A OH VAL 298.A O no hydrogen 2.471 N/A ILE 168.A N GLN 137.A OE1 no hydrogen 2.543 N/A GLN 169.A N LEU 161.A O no hydrogen 2.761 N/A VAL 170.A N PHE 90.A O no hydrogen 2.948 N/A THR 171.A N ASN 159.A O no hydrogen 3.063 N/A THR 171.A OG1 ASN 159.A O no hydrogen 3.336 N/A GLY 174.A N ASP 172.A OD1 no hydrogen 2.893 N/A ALA 176.A N PHE 173.A O no hydrogen 3.129 N/A LYS 177.A N ILE 151.A O no hydrogen 3.110 N/A LYS 177.A NZ THR 183.A OG1 no hydrogen 2.710 N/A ARG 178.A NE LEU 148.A O no hydrogen 2.819 N/A VAL 179.A N ASP 149.A O no hydrogen 2.746 N/A ARG 182.A NH1 GLY 181.A O no hydrogen 2.486 N/A THR 183.A N TYR 203.A O no hydrogen 2.831 N/A CYS 187.A SG THR 185.A O no hydrogen 3.771 N/A CYS 187.A SG THR 185.A OG1 no hydrogen 3.458 N/A THR 189.A OG1 ASP 154.A OD1 no hydrogen 3.302 N/A TYR 192.A N THR 189.A O no hydrogen 2.746 N/A TYR 192.A OH GLU 218.A OE1 no hydrogen 2.518 N/A LEU 193.A N PRO 190.A O no hydrogen 3.255 N/A GLU 196.A N GLU 196.A OE2 no hydrogen 2.863 N/A ILE 197.A N ALA 194.A O no hydrogen 2.968 N/A ILE 198.A N ALA 194.A O no hydrogen 3.157 N/A LEU 199.A N PRO 195.A O no hydrogen 3.003 N/A SER 200.A N ILE 197.A O no hydrogen 3.184 N/A LYS 201.A N GLU 196.A O no hydrogen 3.144 N/A TYR 203.A N THR 183.A O no hydrogen 3.132 N/A TYR 203.A OH THR 185.A O no hydrogen 2.594 N/A ASN 204.A ND2 VAL 179.A O no hydrogen 3.544 N/A LYS 205.A NZ HIS 146.A O no hydrogen 2.827 N/A LYS 205.A NZ ASP 149.A OD1 no hydrogen 3.134 N/A ASP 208.A N LYS 205.A O no hydrogen 3.146 N/A TRP 210.A N ALA 206.A O no hydrogen 3.197 N/A ALA 211.A N VAL 207.A O no hydrogen 2.954 N/A LEU 212.A N ASP 208.A O no hydrogen 2.997 N/A GLY 213.A N TRP 209.A O no hydrogen 3.128 N/A VAL 214.A N TRP 210.A O no hydrogen 3.053 N/A LEU 215.A N ALA 211.A O no hydrogen 2.713 N/A ILE 216.A N LEU 212.A O no hydrogen 2.686 N/A TYR 217.A N GLY 213.A O no hydrogen 3.087 N/A TYR 217.A OH ARG 244.A O no hydrogen 2.731 N/A GLU 218.A N VAL 214.A O no hydrogen 2.969 N/A MET 219.A N LEU 215.A O no hydrogen 3.198 N/A ALA 220.A N ILE 216.A O no hydrogen 3.185 N/A GLY 222.A N GLU 218.A O no hydrogen 2.618 N/A ILE 234.A N GLN 230.A O no hydrogen 3.165 N/A TYR 235.A N PRO 231.A O no hydrogen 3.099 N/A GLU 236.A N ILE 232.A O no hydrogen 3.038 N/A LYS 237.A N GLN 233.A O no hydrogen 2.950 N/A ILE 238.A N ILE 234.A O no hydrogen 2.869 N/A VAL 239.A N TYR 235.A O no hydrogen 2.804 N/A SER 240.A N GLU 236.A O no hydrogen 3.106 N/A SER 240.A OG LYS 237.A O no hydrogen 3.033 N/A GLY 241.A N LYS 237.A O no hydrogen 3.047 N/A GLY 241.A N ILE 238.A O no hydrogen 3.142 N/A LYS 242.A N SER 240.A OG no hydrogen 3.180 N/A HIS 248.A NE2 ALA 220.A O no hydrogen 2.985 N/A PHE 249.A N PRO 246.A O no hydrogen 3.354 N/A SER 250.A N GLU 128.A OE2 no hydrogen 2.922 N/A SER 250.A OG GLU 128.A OE1 no hydrogen 2.544 N/A SER 250.A OG GLU 128.A OE2 no hydrogen 3.178 N/A LYS 254.A N SER 250.A O no hydrogen 3.084 N/A ASP 255.A N SER 251.A O no hydrogen 2.915 N/A LEU 256.A N ASP 252.A O no hydrogen 3.061 N/A LEU 257.A N LEU 253.A O no hydrogen 2.848 N/A ARG 258.A N LYS 254.A O no hydrogen 2.828 N/A ASN 259.A N ASP 255.A O no hydrogen 3.212 N/A ASN 259.A N LEU 256.A O no hydrogen 3.116 N/A ASN 259.A ND2 ASP 255.A O no hydrogen 2.717 N/A LEU 260.A N LEU 256.A O no hydrogen 3.050 N/A LEU 260.A N LEU 257.A O no hydrogen 3.273 N/A LEU 261.A N LEU 257.A O no hydrogen 2.910 N/A GLN 262.A NE2 ARG 258.A O no hydrogen 3.492 N/A ASP 264.A N GLN 262.A OE1 no hydrogen 3.317 N/A THR 266.A N ASP 264.A OD1 no hydrogen 2.887 N/A THR 266.A OG1 ASP 264.A OD1 no hydrogen 2.778 N/A THR 266.A OG1 ASP 264.A OD2 no hydrogen 3.047 N/A LYS 267.A N ASP 264.A O no hydrogen 2.856 N/A ARG 268.A NE GLN 262.A O no hydrogen 2.877 N/A ARG 268.A NH1 GLU 196.A OE1 no hydrogen 2.865 N/A ARG 268.A NH1 ALA 206.A O no hydrogen 2.927 N/A ARG 268.A NH2 GLU 196.A OE2 no hydrogen 2.918 N/A ARG 268.A NH2 GLN 262.A O no hydrogen 3.003 N/A PHE 269.A N ASN 259.A O no hydrogen 2.877 N/A ASN 271.A N ARG 268.A O no hydrogen 3.035 N/A ASN 271.A ND2 LEU 265.A O no hydrogen 2.741 N/A GLY 275.A N LEU 272.A O no hydrogen 2.824 N/A ASN 277.A N ASN 274.A O no hydrogen 3.325 N/A ASP 278.A N GLY 275.A O no hydrogen 3.305 N/A ILE 279.A N VAL 276.A O no hydrogen 3.245 N/A LYS 280.A N VAL 276.A O no hydrogen 2.947 N/A LYS 280.A NZ GLU 143.A OE1 no hydrogen 2.710 N/A LYS 280.A NZ GLU 143.A OE2 no hydrogen 3.533 N/A ASN 281.A N ASN 277.A O no hydrogen 2.810 N/A HIS 282.A N ILE 279.A O no hydrogen 3.066 N/A HIS 282.A NE2 ASP 255.A OD2 no hydrogen 2.764 N/A TRP 284.A N HIS 282.A ND1 no hydrogen 3.038 N/A TRP 284.A NE1 GLU 128.A OE1 no hydrogen 2.959 N/A PHE 285.A N HIS 282.A O no hydrogen 2.752 N/A ALA 286.A N LYS 283.A O no hydrogen 3.397 N/A THR 288.A N PHE 285.A O no hydrogen 2.933 N/A ILE 293.A N ASP 289.A O no hydrogen 2.930 N/A TYR 294.A N TRP 290.A O no hydrogen 3.094 N/A GLN 295.A N ILE 291.A O no hydrogen 2.888 N/A ARG 296.A N ILE 293.A O no hydrogen 3.111 N/A ARG 296.A NH2 ASP 163.A OD2 no hydrogen 2.448 N/A LYS 297.A N ALA 292.A O no hydrogen 2.945 N/A CYS 318.A SG LYS 64.A O no hydrogen 3.433 N/A GLY 319.A N LYS 317.A O no hydrogen 2.342 N/A PHE 322.A N CYS 318.A O no hydrogen 3.373 N/A