Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jwy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 SER 61.A OG no hydrogen 2.871 N/A HIS 2.A NE2 ASP 63.A OD2 no hydrogen 2.451 N/A LEU 3.A N SER 61.A O no hydrogen 2.858 N/A THR 4.A N ASP 93.A OD2 no hydrogen 2.722 N/A THR 4.A OG1 ASP 63.A OD1 no hydrogen 3.344 N/A VAL 5.A N ASP 63.A O no hydrogen 2.892 N/A ALA 6.A N MET 94.A O no hydrogen 3.009 N/A THR 7.A N TYR 65.A O no hydrogen 2.766 N/A THR 7.A OG1 ILE 96.A O no hydrogen 2.690 N/A LEU 8.A N THR 7.A OG1 no hydrogen 2.796 N/A GLU 10.A N VAL 14.A O no hydrogen 2.928 N/A ARG 11.A NE GLU 9.A OE2 no hydrogen 2.915 N/A ARG 11.A NH2 GLU 9.A OE2 no hydrogen 3.162 N/A PHE 13.A N GLU 10.A O no hydrogen 2.807 N/A VAL 14.A N GLU 10.A O no hydrogen 3.018 N/A ILE 15.A N LYS 44.A O no hydrogen 2.723 N/A VAL 16.A N GLU 9.A OE2 no hydrogen 2.907 N/A GLU 17.A N CYS 42.A O no hydrogen 2.783 N/A ALA 19.A N LYS 40.A O no hydrogen 3.338 N/A ASP 20.A N THR 25.A O no hydrogen 2.919 N/A ILE 22.A N ASP 20.A OD1 no hydrogen 3.445 N/A SER 23.A N ASP 20.A OD2 no hydrogen 2.784 N/A SER 23.A OG ASP 20.A OD2 no hydrogen 2.814 N/A SER 23.A OG THR 25.A OG1 no hydrogen 2.879 N/A GLY 24.A N ASP 20.A O no hydrogen 2.688 N/A THR 25.A N SER 23.A OG no hydrogen 3.220 N/A THR 25.A OG1 SER 23.A OG no hydrogen 2.879 N/A CYS 26.A SG.A ARG 41.A O no hydrogen 3.783 N/A SER 30.A N ILE 27.A O no hydrogen 3.393 N/A SER 30.A OG.B ILE 27.A O no hydrogen 2.853 N/A VAL 31.A N CYS 43.A O no hydrogen 2.806 N/A CYS 33.A N ARG 41.A O no hydrogen 2.970 N/A ARG 34.A N LEU 64.A O no hydrogen 3.112 N/A SER 35.A N ASN 38.A OD1.B no hydrogen 2.774 N/A GLN 36.A N LEU 66.A O no hydrogen 2.772 N/A LEU 37.A N SER 35.A OG no hydrogen 3.000 N/A ASN 38.A N SER 35.A O no hydrogen 2.833 N/A CYS 42.A N GLU 17.A O no hydrogen 2.743 N/A CYS 42.A SG.B GLU 17.A O no hydrogen 3.063 N/A CYS 42.A SG.B PRO 18.A O no hydrogen 3.261 N/A CYS 43.A N VAL 31.A O no hydrogen 2.767 N/A CYS 43.A SG.B VAL 31.A O no hydrogen 3.610 N/A LYS 44.A N ILE 15.A O no hydrogen 2.939 N/A LYS 44.A NZ GLU 17.A OE1 no hydrogen 3.324 N/A LYS 44.A NZ GLU 17.A OE2 no hydrogen 3.192 N/A PHE 46.A N PRO 12.A O no hydrogen 3.204 N/A CYS 47.A N PHE 13.A O no hydrogen 2.884 N/A ASP 49.A N GLY 45.A O no hydrogen 2.899 N/A ILE 50.A N PHE 46.A O no hydrogen 3.074 N/A LEU 51.A N CYS 47.A O no hydrogen 2.885 N/A LYS 52.A N ILE 48.A O no hydrogen 2.891 N/A LYS 52.A NZ ASP 29.A O no hydrogen 2.697 N/A LYS 52.A NZ ASP 49.A OD1 no hydrogen 3.083 N/A ARG 53.A N ASP 49.A O no hydrogen 3.135 N/A ARG 53.A NE GLU 255.A OE2 no hydrogen 2.610 N/A ARG 53.A NH1 ASP 49.A O no hydrogen 3.154 N/A ARG 53.A NH2 GLU 255.A OE2 no hydrogen 3.149 N/A LEU 54.A N ILE 50.A O no hydrogen 2.988 N/A ALA 55.A N LEU 51.A O no hydrogen 3.043 N/A HIS 56.A N LYS 52.A O no hydrogen 3.128 N/A THR 57.A N ARG 53.A O no hydrogen 2.830 N/A THR 57.A OG1 ARG 53.A O no hydrogen 3.144 N/A ILE 58.A N LEU 54.A O no hydrogen 2.830 N/A GLY 59.A N ALA 55.A O no hydrogen 2.819 N/A PHE 60.A N ALA 55.A O no hydrogen 3.077 N/A SER 61.A N GLN 1.A O no hydrogen 2.960 N/A SER 61.A OG GLN 1.A O no hydrogen 3.500 N/A SER 61.A OG HIS 2.A ND1 no hydrogen 2.871 N/A ASP 63.A N LEU 3.A O no hydrogen 3.180 N/A TYR 65.A N VAL 5.A O no hydrogen 2.876 N/A TYR 65.A OH GLU 86.A OE1 no hydrogen 2.655 N/A LEU 66.A N ARG 34.A O no hydrogen 2.684 N/A VAL 67.A N THR 7.A O no hydrogen 2.840 N/A THR 68.A N GLN 36.A OE1 no hydrogen 2.898 N/A ASN 69.A N GLN 36.A OE1 no hydrogen 3.114 N/A GLY 70.A N THR 68.A O no hydrogen 2.908 N/A HIS 72.A NE2 SER 98.A OG no hydrogen 2.924 N/A LYS 74.A N ASN 81.A OD1 no hydrogen 2.903 N/A ILE 76.A N VAL 79.A O no hydrogen 2.943 N/A VAL 79.A N ILE 76.A O no hydrogen 3.030 N/A TRP 80.A N TYR 89.A OH no hydrogen 2.947 N/A ASN 81.A N LYS 74.A O no hydrogen 2.970 N/A GLY 82.A N ASN 69.A O no hydrogen 2.603 N/A MET 83.A N LYS 71.A O no hydrogen 2.835 N/A ILE 84.A N HIS 72.A O no hydrogen 3.033 N/A GLY 85.A N ASN 81.A O no hydrogen 2.999 N/A GLU 86.A N GLY 82.A O no hydrogen 3.071 N/A VAL 87.A N MET 83.A O no hydrogen 3.168 N/A PHE 88.A N ILE 84.A O no hydrogen 2.788 N/A TYR 89.A N GLY 85.A O no hydrogen 2.821 N/A GLN 90.A N VAL 87.A O no hydrogen 2.909 N/A GLN 90.A NE2 HIS 234.A ND1.B no hydrogen 3.547 N/A ARG 91.A N GLU 86.A O no hydrogen 2.766 N/A ARG 91.A NE GLU 86.A OE1 no hydrogen 3.491 N/A ARG 91.A NE GLU 86.A OE2 no hydrogen 2.887 N/A ARG 91.A NH2 GLU 86.A OE2 no hydrogen 2.913 N/A ALA 92.A N GLU 86.A O no hydrogen 3.042 N/A ASP 93.A N THR 4.A O no hydrogen 2.805 N/A MET 94.A N THR 4.A O no hydrogen 3.409 N/A ALA 95.A N ALA 232.A O no hydrogen 2.881 N/A ILE 96.A N ALA 6.A O no hydrogen 3.117 N/A SER 98.A OG GLU 10.A OE1 no hydrogen 2.651 N/A SER 98.A OG HIS 72.A NE2 no hydrogen 2.924 N/A ILE 101.A N GLY 228.A O no hydrogen 2.935 N/A ARG 105.A N ASN 102.A OD1 no hydrogen 2.857 N/A ARG 105.A NH1 THR 100.A O no hydrogen 2.886 N/A ARG 105.A NH2 GLY 73.A O no hydrogen 3.025 N/A SER 106.A N ASN 102.A O no hydrogen 3.010 N/A SER 106.A OG ASN 102.A O no hydrogen 2.739 N/A GLU 107.A N GLU 103.A O no hydrogen 3.109 N/A ILE 108.A N ARG 105.A O no hydrogen 2.857 N/A VAL 109.A N ARG 105.A O no hydrogen 3.007 N/A ASP 110.A N LEU 233.A O no hydrogen 2.981 N/A SER 112.A N ILE 231.A O no hydrogen 2.872 N/A SER 112.A OG VAL 113.A O no hydrogen 2.703 N/A VAL 113.A N ASP 244.A OD1 no hydrogen 2.809 N/A PHE 115.A N TYR 229.A O no hydrogen 3.068 N/A THR 118.A N THR 227.A O no hydrogen 2.852 N/A THR 118.A OG1 ASP 199.A OD1 no hydrogen 2.534 N/A SER 121.A N TYR 198.A O no hydrogen 2.976 N/A VAL 122.A N ILE 218.A O no hydrogen 3.089 N/A MET 123.A N PHE 196.A O no hydrogen 2.670 N/A VAL 124.A N VAL 216.A O no hydrogen 2.885 N/A ARG 126.A N LYS 214.A O no hydrogen 2.634 N/A ARG 126.A NE CYS 213.A O no hydrogen 3.094 N/A SER 131.A OG ASP 135.A OD2 no hydrogen 3.543 N/A GLY 132.A N SER 131.A OG no hydrogen 2.613 N/A LYS 137.A N ASP 135.A OD1 no hydrogen 2.162 N/A LYS 137.A NZ THR 129.A O no hydrogen 2.828 N/A PHE 138.A N ASP 135.A O no hydrogen 3.214 N/A GLN 139.A N ASP 135.A O no hydrogen 3.136 N/A GLN 139.A NE2 LEU 133.A O no hydrogen 2.987 N/A ARG 140.A N ARG 136.A O no hydrogen 2.823 N/A GLN 144.A NE2 ARG 140.A O no hydrogen 3.226 N/A LYS 149.A N ASP 194.A OD2 no hydrogen 2.851 N/A GLY 151.A N ALA 195.A O no hydrogen 3.366 N/A THR 152.A OG1 VAL 153.A O no hydrogen 3.502 N/A THR 152.A OG1 ILE 197.A O no hydrogen 2.696 N/A ASN 155.A N GLU 159.A OE1 no hydrogen 2.705 N/A LYS 160.A N GLY 156.A O no hydrogen 3.200 N/A ASN 161.A N.A SER 157.A O no hydrogen 2.922 N/A ASN 161.A N.B SER 157.A O no hydrogen 2.925 N/A ILE 162.A N THR 158.A O no hydrogen 3.022 N/A ARG 163.A N GLU 159.A O no hydrogen 2.902 N/A SER 164.A N LYS 160.A O no hydrogen 3.062 N/A SER 164.A OG LYS 160.A O no hydrogen 2.963 N/A ASN 165.A N ASN 161.A O.A no hydrogen 2.763 N/A ASN 165.A N ASN 161.A O.B no hydrogen 2.763 N/A ASN 165.A ND2 ASN 161.A O.A no hydrogen 3.100 N/A ASN 165.A ND2 ASN 161.A O.B no hydrogen 3.095 N/A ASN 165.A ND2 ASN 161.A OD1.B no hydrogen 2.565 N/A TYR 166.A N ILE 162.A O no hydrogen 2.558 N/A TYR 166.A OH VAL 223.A O no hydrogen 2.933 N/A HIS 170.A N TYR 166.A O no hydrogen 3.118 N/A HIS 170.A NE2 GLU 159.A OE2 no hydrogen 2.778 N/A SER 171.A N PRO 167.A O no hydrogen 3.342 N/A TYR 172.A OH LEU 148.A O no hydrogen 2.756 N/A MET 173.A N MET 169.A O no hydrogen 3.034 N/A VAL 174.A N HIS 170.A O no hydrogen 3.228 N/A TYR 176.A N MET 173.A O no hydrogen 2.577 N/A TYR 176.A OH TYR 172.A OH no hydrogen 3.369 N/A ASN 177.A N VAL 174.A O no hydrogen 3.247 N/A GLN 178.A N THR 152.A O no hydrogen 2.891 N/A GLN 178.A NE2 TYR 176.A O no hydrogen 3.110 N/A GLN 178.A NE2 GLN 187.A OE1 no hydrogen 3.200 N/A ARG 180.A NE GLU 183.A OE1 no hydrogen 2.835 N/A ARG 180.A NH2 GLU 183.A OE1 no hydrogen 3.512 N/A ARG 180.A NH2 GLU 183.A OE2 no hydrogen 2.951 N/A ALA 184.A N ARG 180.A O no hydrogen 3.138 N/A LEU 185.A N VAL 181.A O no hydrogen 2.937 N/A THR 186.A N GLU 182.A O no hydrogen 3.159 N/A THR 186.A OG1 GLU 182.A O no hydrogen 3.256 N/A GLN 187.A N GLU 183.A O no hydrogen 2.978 N/A LEU 188.A N ALA 184.A O no hydrogen 2.813 N/A LYS 189.A N LEU 185.A O no hydrogen 2.791 N/A LYS 189.A NZ ASP 210.A OD1 no hydrogen 2.764 N/A LYS 189.A NZ ASP 210.A OD2 no hydrogen 3.376 N/A ALA 190.A N GLN 187.A O no hydrogen 3.287 N/A GLY 191.A N LEU 188.A O no hydrogen 3.450 N/A LEU 193.A N GLN 187.A O no hydrogen 3.090 N/A ASP 194.A N LYS 149.A O no hydrogen 2.559 N/A ALA 195.A N LYS 149.A O no hydrogen 3.016 N/A PHE 196.A N MET 123.A O no hydrogen 2.867 N/A ILE 197.A N GLY 151.A O no hydrogen 2.933 N/A TYR 198.A N SER 121.A O no hydrogen 2.997 N/A TYR 198.A OH GLU 10.A OE2 no hydrogen 2.465 N/A ALA 200.A N GLY 119.A O no hydrogen 2.824 N/A ALA 201.A N THR 118.A OG1 no hydrogen 3.086 N/A VAL 202.A N ASP 199.A OD2 no hydrogen 2.884 N/A LEU 203.A N ASP 199.A O no hydrogen 2.941 N/A ASN 204.A N ALA 200.A O no hydrogen 2.774 N/A TYR 205.A N ALA 201.A O no hydrogen 3.272 N/A MET 206.A N VAL 202.A O no hydrogen 2.942 N/A ALA 207.A N LEU 203.A O no hydrogen 3.036 N/A ARG 208.A N ASN 204.A O no hydrogen 3.094 N/A ARG 208.A NE LEU 264.A O no hydrogen 2.957 N/A ARG 208.A NH2 LEU 264.A O no hydrogen 2.712 N/A LYS 209.A N TYR 205.A O no hydrogen 3.198 N/A LYS 209.A N MET 206.A O no hydrogen 3.345 N/A ASP 210.A N ALA 207.A O no hydrogen 3.285 N/A CYS 213.A N ASP 210.A O no hydrogen 2.711 N/A CYS 213.A SG ASP 210.A O no hydrogen 3.981 N/A LYS 214.A N ASP 210.A OD2 no hydrogen 2.698 N/A LEU 215.A N ASP 210.A OD2 no hydrogen 2.823 N/A VAL 216.A N VAL 124.A O no hydrogen 2.986 N/A THR 217.A OG1 ASN 204.A OD1 no hydrogen 2.653 N/A ILE 218.A N VAL 122.A O no hydrogen 2.764 N/A SER 220.A OG PHE 224.A O no hydrogen 3.209 N/A LYS 222.A N SER 220.A O no hydrogen 2.878 N/A VAL 223.A N SER 220.A O no hydrogen 3.017 N/A THR 227.A N THR 118.A O no hydrogen 2.867 N/A THR 227.A OG1 ILE 101.A O no hydrogen 2.845 N/A GLY 228.A N THR 227.A OG1 no hydrogen 2.610 N/A TYR 229.A N VAL 116.A O no hydrogen 2.911 N/A TYR 229.A OH ASP 199.A OD2 no hydrogen 2.507 N/A GLY 230.A N LEU 99.A O no hydrogen 3.033 N/A ILE 231.A N SER 112.A OG no hydrogen 2.887 N/A ALA 232.A N ALA 95.A O no hydrogen 2.966 N/A LEU 233.A N ASP 110.A O no hydrogen 2.833 N/A HIS 234.A NE2.B ALA 92.A O no hydrogen 2.879 N/A LYS 235.A NZ SER 106.A O no hydrogen 2.977 N/A LYS 235.A NZ VAL 109.A O no hydrogen 3.202 N/A LYS 235.A NZ ASP 110.A OD1 no hydrogen 2.842 N/A GLY 236.A N ASP 110.A OD2 no hydrogen 2.825 N/A SER 237.A N HIS 234.A O no hydrogen 2.879 N/A TRP 239.A N SER 237.A OG no hydrogen 2.941 N/A LYS 240.A N SER 237.A O no hydrogen 3.374 N/A LYS 240.A NZ PHE 111.A O no hydrogen 2.825 N/A LYS 240.A NZ ASP 244.A OD1 no hydrogen 3.538 N/A LYS 240.A NZ ASP 244.A OD2 no hydrogen 2.508 N/A ILE 243.A N TRP 239.A O no hydrogen 3.038 N/A ASP 244.A N LYS 240.A O no hydrogen 2.802 N/A LEU 245.A N ARG 241.A O no hydrogen 2.904 N/A ALA 246.A N PRO 242.A O no hydrogen 3.103 N/A LEU 247.A N ILE 243.A O no hydrogen 2.897 N/A LEU 248.A N ASP 244.A O no hydrogen 2.801 N/A GLN 249.A N LEU 245.A O no hydrogen 2.875 N/A PHE 250.A N ALA 246.A O no hydrogen 2.751 N/A LEU 251.A N LEU 247.A O no hydrogen 2.866 N/A GLY 252.A N GLN 249.A O no hydrogen 3.376 N/A ASP 253.A N PHE 250.A O no hydrogen 3.187 N/A GLU 255.A N PHE 250.A O no hydrogen 3.001 N/A MET 258.A N ASP 254.A O no hydrogen 3.085 N/A LEU 259.A N GLU 255.A O no hydrogen 3.036 N/A GLU 260.A N ILE 256.A O no hydrogen 2.781 N/A ARG 261.A N GLU 257.A O no hydrogen 2.992 N/A LEU 262.A N MET 258.A O no hydrogen 2.805 N/A TRP 263.A N LEU 259.A O no hydrogen 2.842 N/A TRP 263.A NE1 ASP 49.A OD2 no hydrogen 2.711 N/A LEU 264.A N GLU 260.A O no hydrogen 2.804 N/A SER 265.A OG ARG 261.A O no hydrogen 2.671 N/A CYS 268.A N ARG 208.A O no hydrogen 2.840 N/A CYS 268.A SG ARG 208.A O no hydrogen 3.444 N/A CYS 268.A SG ASP 210.A O no hydrogen 3.329 N/A