Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jwt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLY 5.A O no hydrogen 2.691 N/A THR 1.A N ILE 69.A O no hydrogen 2.768 N/A PHE 2.A N GLY 5.A O no hydrogen 3.263 N/A SER 4.A OG ASP 158.A OD1 no hydrogen 3.113 N/A GLY 5.A N PHE 2.A O no hydrogen 2.845 N/A ALA 7.A N GLU 6.A OE1 no hydrogen 3.018 N/A GLY 10.A N PRO 153.A O no hydrogen 2.836 N/A ARG 12.A N GLU 16.A OE1 no hydrogen 2.935 N/A ARG 12.A NE GLU 16.A OE1 no hydrogen 2.925 N/A ARG 12.A NH1 ASP 22.A OD2 no hydrogen 2.766 N/A ARG 12.A NH1 MET 47.A O no hydrogen 2.756 N/A ARG 12.A NH2 GLU 16.A OE1 no hydrogen 3.505 N/A ARG 12.A NH2 GLU 16.A OE2 no hydrogen 3.262 N/A ARG 12.A NH2 ASP 22.A OD2 no hydrogen 2.822 N/A PHE 15.A N ARG 12.A O no hydrogen 3.364 N/A LYS 17.A N ARG 12.A O no hydrogen 3.160 N/A LYS 17.A NZ ASP 8.A OD2 no hydrogen 2.507 N/A LYS 18.A N PHE 15.A O no hydrogen 2.839 N/A SER 19.A N GLU 16.A O no hydrogen 3.455 N/A LEU 20.A N PHE 15.A O no hydrogen 2.848 N/A ASP 22.A N GLU 25.A OE2 no hydrogen 3.198 N/A LYS 23.A N GLU 44.A OE2 no hydrogen 2.839 N/A THR 24.A N ASP 22.A OD1 no hydrogen 3.389 N/A GLU 25.A N ASP 22.A O no hydrogen 2.977 N/A LEU 28.A N THR 24.A O no hydrogen 3.502 N/A LEU 29.A N GLU 25.A O no hydrogen 3.142 N/A GLU 30.A N ARG 26.A O no hydrogen 2.824 N/A SER 31.A N GLU 27.A O no hydrogen 3.246 N/A SER 31.A N LEU 28.A O no hydrogen 2.510 N/A SER 31.A OG LEU 28.A O no hydrogen 2.715 N/A TYR 32.A OH LYS 171.A O no hydrogen 2.635 N/A ILE 37.A N GLY 178.A O no hydrogen 2.812 N/A ALA 43.A N LEU 190.A O no hydrogen 2.764 N/A MET 47.A N GLU 44.A O no hydrogen 3.006 N/A GLN 51.A N SER 48.A O no hydrogen 3.071 N/A GLN 51.A NE2 THR 175.A O no hydrogen 3.138 N/A VAL 52.A N ALA 66.A O no hydrogen 3.066 N/A MET 53.A N ARG 98.A O no hydrogen 2.907 N/A LEU 54.A N CYS 64.A O no hydrogen 2.870 N/A PHE 55.A N LEU 96.A O no hydrogen 2.870 N/A ARG 56.A N GLU 61.A O no hydrogen 2.834 N/A ARG 56.A NH1 GLU 61.A OE2 no hydrogen 2.734 N/A LYS 57.A N ASP 94.A O no hydrogen 2.651 N/A LYS 57.A NZ LEU 299.A O no hydrogen 2.884 N/A LYS 57.A NZ LEU 299.A OXT no hydrogen 2.656 N/A GLU 61.A N PRO 59.A O no hydrogen 3.107 N/A LEU 63.A N LEU 54.A O no hydrogen 2.807 N/A CYS 64.A SG LEU 63.A O no hydrogen 2.917 N/A GLY 65.A N SER 235.A O no hydrogen 2.905 N/A SER 67.A N LEU 75.A O no hydrogen 2.823 N/A SER 67.A OG GLN 251.A OE1 no hydrogen 2.654 N/A LEU 68.A N TRP 50.A O no hydrogen 3.009 N/A ILE 69.A N TRP 73.A O no hydrogen 3.106 N/A ARG 72.A NE LEU 141.A O no hydrogen 2.629 N/A ARG 72.A NH1 GLU 289.A OE1 no hydrogen 2.761 N/A ARG 72.A NH2 LEU 141.A O no hydrogen 2.786 N/A VAL 74.A N MET 139.A O no hydrogen 2.933 N/A LEU 75.A N SER 67.A O no hydrogen 2.681 N/A THR 76.A N ALA 137.A O no hydrogen 2.884 N/A THR 76.A OG1 GLY 65.A O no hydrogen 3.290 N/A THR 76.A OG1 ALA 77.A O no hydrogen 3.378 N/A HIS 79.A N ASP 135.A OD1 no hydrogen 2.773 N/A HIS 79.A ND1 ASP 135.A OD2 no hydrogen 2.759 N/A HIS 79.A NE2 SER 235.A OG no hydrogen 3.232 N/A CYS 80.A N ALA 77.A O no hydrogen 3.168 N/A CYS 80.A SG THR 76.A OG1 no hydrogen 3.378 N/A CYS 80.A SG ALA 77.A O no hydrogen 3.718 N/A LEU 81.A N ALA 78.A O no hydrogen 3.320 N/A TYR 83.A N LYS 88.A O no hydrogen 2.653 N/A TRP 86.A N TYR 83.A O no hydrogen 3.180 N/A LYS 88.A NZ HIS 79.A O no hydrogen 2.746 N/A LYS 88.A NZ CYS 80.A O no hydrogen 2.876 N/A PHE 90.A N LEU 81.A O no hydrogen 2.877 N/A THR 91.A N ASP 94.A OD2 no hydrogen 2.868 N/A GLU 92.A N THR 91.A OG1 no hydrogen 2.773 N/A LEU 95.A N THR 91.A O no hydrogen 3.055 N/A LEU 96.A N PHE 55.A O no hydrogen 2.788 N/A VAL 97.A N SER 115.A O no hydrogen 2.632 N/A ARG 98.A N MET 53.A O no hydrogen 3.200 N/A ARG 98.A NE GLU 112.A OE1 no hydrogen 2.787 N/A ARG 98.A NH2 GLU 112.A OE1 no hydrogen 2.889 N/A ARG 98.A NH2 GLU 112.A OE2 no hydrogen 2.696 N/A ILE 99.A N LYS 113.A O no hydrogen 2.875 N/A LYS 101.A NZ ARG 106.A O no hydrogen 2.837 N/A LYS 101.A NZ GLU 108.A OE1 no hydrogen 2.556 N/A LYS 101.A NZ GLU 112.A OE1 no hydrogen 3.176 N/A LYS 101.A NZ GLU 112.A OE2 no hydrogen 2.629 N/A HIS 102.A N GLU 108.A OE1 no hydrogen 3.124 N/A SER 103.A N GLU 108.A OE2 no hydrogen 3.410 N/A ARG 104.A N SER 188.A O no hydrogen 3.020 N/A ARG 104.A NH1 PRO 187.A O no hydrogen 3.534 N/A ARG 104.A NH2 ASP 290.A OD2 no hydrogen 2.620 N/A THR 105.A OG1 ASP 290.A OD1 no hydrogen 3.235 N/A ARG 106.A NH1 SER 103.A OG no hydrogen 2.822 N/A GLU 108.A N GLU 112.A OE2 no hydrogen 2.774 N/A ILE 111.A N GLU 108.A O no hydrogen 2.839 N/A GLU 112.A N GLU 108.A O no hydrogen 3.175 N/A LYS 113.A N ILE 99.A O no hydrogen 2.713 N/A LYS 113.A NZ ALA 146.A O no hydrogen 2.650 N/A SER 115.A N VAL 97.A O no hydrogen 2.696 N/A GLU 118.A N LYS 140.A O no hydrogen 2.940 N/A LYS 119.A NZ GLU 92.A OE1 no hydrogen 2.686 N/A LYS 119.A NZ GLU 92.A OE2 no hydrogen 2.568 N/A ILE 120.A N GLU 92.A OE1 no hydrogen 2.733 N/A TYR 121.A N LEU 138.A O no hydrogen 2.868 N/A HIS 123.A N ILE 136.A O no hydrogen 3.381 N/A ARG 125.A N HIS 123.A ND1 no hydrogen 3.053 N/A TYR 126.A N HIS 123.A O no hydrogen 3.161 N/A TYR 126.A OH LEU 82.A O no hydrogen 2.946 N/A ASN 127.A N ASP 133.A O no hydrogen 2.626 N/A ASN 127.A ND2 GLU 130.A OE1 no hydrogen 3.019 N/A ASN 127.A ND2 ASN 131.A OD1 no hydrogen 3.004 N/A GLU 130.A N ASN 127.A OD1 no hydrogen 3.093 N/A ASN 131.A ND2 ARG 210.A O no hydrogen 2.817 N/A ASP 133.A N ASN 131.A OD1 no hydrogen 2.991 N/A ASP 135.A N LEU 132.A O no hydrogen 3.488 N/A ALA 137.A N THR 76.A O no hydrogen 2.903 N/A MET 139.A N VAL 74.A O no hydrogen 3.114 N/A LYS 140.A N LYS 119.A O no hydrogen 2.756 N/A LYS 140.A NZ GLY 288.A O no hydrogen 2.716 N/A LYS 140.A NZ GLU 289.A OE2 no hydrogen 2.706 N/A LEU 141.A N ARG 72.A O no hydrogen 3.110 N/A LYS 142.A N MET 116.A O no hydrogen 2.725 N/A VAL 145.A N ASP 71.A O no hydrogen 2.896 N/A SER 148.A N ILE 151.A O no hydrogen 3.089 N/A HIS 152.A NE2 ASP 8.A O no hydrogen 2.838 N/A VAL 154.A N LEU 68.A O no hydrogen 3.040 N/A CYS 155.A N TRP 249.A O no hydrogen 3.241 N/A THR 161.A N ASP 158.A OD2 no hydrogen 2.905 N/A THR 161.A OG1 ASP 158.A OD2 no hydrogen 2.782 N/A ALA 162.A N ASP 158.A O no hydrogen 3.146 N/A ALA 163.A N ARG 159.A O no hydrogen 2.771 N/A SER 164.A N GLU 160.A O no hydrogen 2.742 N/A LEU 165.A N ALA 162.A O no hydrogen 3.156 N/A LEU 166.A N ALA 162.A O no hydrogen 2.880 N/A GLN 167.A N LEU 165.A O no hydrogen 2.695 N/A GLY 169.A N ILE 197.A O no hydrogen 2.893 N/A TYR 170.A N GLN 167.A O no hydrogen 3.094 N/A LYS 171.A N SER 31.A OG no hydrogen 2.706 N/A LYS 171.A NZ GLU 27.A OE2 no hydrogen 2.710 N/A LYS 171.A NZ TYR 220.A OH no hydrogen 3.191 N/A GLY 172.A N LEU 195.A O no hydrogen 2.797 N/A ARG 173.A N VAL 240.A O no hydrogen 2.840 N/A ARG 173.A NH1 ASP 22.A OD1 no hydrogen 3.123 N/A ARG 173.A NH1 ASN 194.A OD1 no hydrogen 3.483 N/A ARG 173.A NH2 ASP 22.A OD1 no hydrogen 2.794 N/A ARG 173.A NH2 ASP 22.A OD2 no hydrogen 2.691 N/A VAL 174.A N VAL 193.A O no hydrogen 2.736 N/A THR 175.A OG1 GLN 51.A OE1 no hydrogen 2.410 N/A GLY 176.A N GLN 191.A O no hydrogen 2.884 N/A TRP 177.A NE1 HIS 102.A O no hydrogen 2.806 N/A ASN 179.A N GLU 232.A O no hydrogen 2.926 N/A LEU 180.A N GLY 185.A O no hydrogen 3.220 N/A LEU 190.A N HIS 102.A O no hydrogen 3.045 N/A GLN 191.A N GLY 176.A O no hydrogen 2.793 N/A GLN 191.A NE2 GLY 40.A O no hydrogen 3.225 N/A GLN 191.A NE2 ASP 42.A OD1 no hydrogen 3.403 N/A VAL 192.A N SER 41.A O no hydrogen 3.476 N/A VAL 193.A N VAL 174.A O no hydrogen 2.886 N/A ILE 197.A N TYR 170.A O no hydrogen 2.716 N/A VAL 198.A N CYS 217.A O no hydrogen 2.990 N/A ARG 200.A NH1 THR 212.A O no hydrogen 2.737 N/A ARG 200.A NH2 THR 212.A O no hydrogen 2.686 N/A CYS 203.A N GLU 199.A O no hydrogen 3.220 N/A CYS 203.A SG VAL 198.A O no hydrogen 3.748 N/A LYS 204.A N ARG 200.A O no hydrogen 3.368 N/A LYS 204.A NZ ILE 211.A O no hydrogen 3.263 N/A ASP 205.A N PRO 201.A O no hydrogen 3.110 N/A SER 206.A N CYS 203.A O no hydrogen 2.772 N/A SER 206.A OG CYS 203.A O no hydrogen 2.629 N/A THR 207.A OG1 GLU 259.A OE1 no hydrogen 2.948 N/A THR 207.A OG1 GLU 259.A OE2 no hydrogen 2.990 N/A ILE 209.A N THR 207.A OG1 no hydrogen 3.122 N/A ARG 210.A NH1 GLU 130.A OE1 no hydrogen 2.733 N/A ARG 210.A NH2 GLU 130.A OE1 no hydrogen 3.047 N/A THR 212.A OG1 ASP 133.A OD1 no hydrogen 3.041 N/A ASN 214.A N THR 212.A OG1 no hydrogen 2.949 N/A PHE 216.A N TYR 270.A O no hydrogen 3.230 N/A ALA 218.A N GLY 268.A O no hydrogen 2.695 N/A GLY 219.A N PRO 196.A O no hydrogen 2.887 N/A TYR 220.A OH ASN 194.A O no hydrogen 3.188 N/A LYS 221.A NZ GLU 199.A OE2 no hydrogen 2.959 N/A LYS 221.A NZ GLU 224.A OE1 no hydrogen 2.648 N/A LYS 226.A NZ GLU 27.A OE1 no hydrogen 3.170 N/A LYS 226.A NZ GLU 27.A OE2 no hydrogen 2.553 N/A LYS 226.A NZ TYR 220.A OH no hydrogen 3.032 N/A ARG 227.A NH1 ASP 262.A O no hydrogen 3.428 N/A ARG 227.A NH1 ASP 262.A OD2 no hydrogen 2.728 N/A ARG 227.A NH1 ASP 264.A OD2 no hydrogen 3.507 N/A ARG 227.A NH2 ASP 264.A OD2 no hydrogen 2.985 N/A GLY 228.A N ASP 262.A OD1 no hydrogen 2.885 N/A CYS 231.A SG GLU 232.A OE1 no hydrogen 3.616 N/A ASP 234.A N CYS 231.A O no hydrogen 2.969 N/A SER 235.A OG HIS 79.A NE2 no hydrogen 3.232 N/A GLY 236.A N VAL 255.A O no hydrogen 2.910 N/A GLY 237.A N ASP 234.A O no hydrogen 2.948 N/A PHE 239.A N GLY 253.A O no hydrogen 3.057 N/A VAL 240.A N ARG 173.A O no hydrogen 2.886 N/A MET 241.A N TYR 250.A O no hydrogen 3.179 N/A LYS 242.A NZ GLU 16.A OE2 no hydrogen 2.758 N/A LYS 242.A NZ GLU 25.A OE1 no hydrogen 2.577 N/A LYS 242.A NZ ASN 247.A OD1 no hydrogen 3.022 N/A SER 243.A N ARG 248.A O no hydrogen 2.854 N/A PHE 245.A N SER 243.A OG no hydrogen 3.218 N/A ASN 246.A N SER 243.A OG no hydrogen 3.165 N/A ASN 246.A ND2 TYR 250.A OH no hydrogen 2.876 N/A ASN 247.A ND2 ASN 246.A O no hydrogen 3.483 N/A ARG 248.A NH1 ALA 7.A O no hydrogen 3.502 N/A ARG 248.A NH1 CYS 9.A O no hydrogen 2.934 N/A ARG 248.A NH2 ALA 7.A O no hydrogen 3.406 N/A TRP 249.A N GLY 10.A O no hydrogen 3.127 N/A TRP 249.A NE1 GLU 16.A OE2 no hydrogen 3.156 N/A TYR 250.A N MET 241.A O no hydrogen 2.767 N/A GLN 251.A N CYS 155.A O no hydrogen 2.838 N/A GLN 251.A NE2 GLY 253.A O no hydrogen 2.932 N/A MET 252.A N PHE 239.A O no hydrogen 2.933 N/A GLY 253.A N PHE 239.A O no hydrogen 3.161 N/A ILE 254.A N THR 271.A O no hydrogen 3.358 N/A VAL 255.A N GLY 237.A O no hydrogen 2.918 N/A SER 256.A N PHE 269.A O no hydrogen 3.042 N/A SER 256.A OG ASP 135.A OD2 no hydrogen 3.089 N/A TRP 257.A N PHE 269.A O no hydrogen 2.856 N/A CYS 261.A N GLU 182.A OE1 no hydrogen 2.801 N/A CYS 261.A SG GLU 232.A OE1 no hydrogen 3.436 N/A ASP 262.A N ASP 229.A OD2 no hydrogen 2.956 N/A LYS 266.A N ARG 263.A O no hydrogen 2.957 N/A LYS 266.A NZ SER 206.A O no hydrogen 2.626 N/A LYS 266.A NZ GLU 259.A OE1 no hydrogen 3.206 N/A LYS 266.A NZ GLU 259.A OE2 no hydrogen 3.545 N/A GLY 268.A N ALA 218.A O no hydrogen 2.706 N/A PHE 269.A N TRP 257.A O no hydrogen 2.661 N/A TYR 270.A N PHE 216.A O no hydrogen 2.815 N/A THR 271.A N ILE 254.A O no hydrogen 2.993 N/A THR 271.A OG1 ASP 135.A O no hydrogen 2.774 N/A HIS 272.A N ASN 214.A O no hydrogen 3.047 N/A VAL 273.A N MET 252.A O no hydrogen 3.325 N/A ARG 275.A N HIS 272.A O no hydrogen 2.959 N/A ARG 275.A NH1 ASN 214.A OD1 no hydrogen 3.021 N/A LYS 277.A N PHE 274.A O no hydrogen 2.941 N/A LYS 277.A NZ PHE 2.A O no hydrogen 3.300 N/A LYS 277.A NZ PRO 157.A O no hydrogen 2.739 N/A LYS 278.A N ARG 275.A O no hydrogen 3.167 N/A TRP 279.A N LEU 276.A O no hydrogen 3.108 N/A ILE 280.A N LEU 276.A O no hydrogen 3.216 N/A GLN 281.A N LYS 277.A O no hydrogen 3.194 N/A LYS 282.A N LYS 278.A O no hydrogen 3.395 N/A VAL 283.A N TRP 279.A O no hydrogen 2.875 N/A ILE 284.A N ILE 280.A O no hydrogen 2.888 N/A ASP 285.A N GLN 281.A O no hydrogen 2.842 N/A GLN 286.A N LYS 282.A O no hydrogen 3.371 N/A PHE 287.A N ILE 284.A O no hydrogen 3.126 N/A GLU 292.A N THR 105.A O no hydrogen 2.796 N/A TYR 298.A N PRO 295.A O no hydrogen 3.136 N/A LEU 299.A N GLU 296.A O no hydrogen 2.916 N/A