Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4y4l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N SER 6.A OG no hydrogen 2.920 N/A LEU 5.A N HIS 3.A ND1 no hydrogen 3.217 N/A SER 6.A N HIS 3.A O no hydrogen 3.038 N/A SER 6.A OG HIS 3.A O no hydrogen 2.988 N/A ILE 8.A N LEU 5.A O no hydrogen 3.110 N/A VAL 9.A N LEU 5.A O no hydrogen 2.914 N/A LYS 10.A N ASP 16.A OD2 no hydrogen 2.844 N/A LYS 11.A N ASP 16.A OD1 no hydrogen 3.273 N/A TRP 14.A N LYS 11.A O no hydrogen 3.059 N/A SER 15.A N ASP 13.A OD1 no hydrogen 3.134 N/A SER 15.A OG ASP 13.A OD1 no hydrogen 2.861 N/A SER 15.A OG ASP 13.A OD2 no hydrogen 3.537 N/A PHE 17.A N TRP 14.A O no hydrogen 2.974 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 2.692 N/A THR 26.A N ARG 23.A O no hydrogen 3.022 N/A THR 26.A OG1 ARG 23.A O no hydrogen 3.352 N/A SER 28.A N GLU 24.A O no hydrogen 3.180 N/A ARG 29.A N SER 25.A O no hydrogen 2.902 N/A ALA 30.A N THR 26.A O no hydrogen 2.922 N/A MET 31.A N VAL 27.A O no hydrogen 3.118 N/A THR 32.A N SER 28.A O no hydrogen 2.947 N/A THR 32.A OG1 SER 28.A O no hydrogen 3.304 N/A THR 32.A OG1 ARG 29.A O no hydrogen 3.540 N/A SER 33.A N ARG 29.A O no hydrogen 3.058 N/A SER 33.A OG ARG 29.A O no hydrogen 2.729 N/A SER 33.A OG ALA 30.A O no hydrogen 3.355 N/A ARG 34.A NH1 ALA 30.A O no hydrogen 2.985 N/A TYR 35.A N MET 31.A O no hydrogen 3.121 N/A PHE 36.A N THR 32.A O no hydrogen 2.993 N/A LYS 37.A N SER 33.A O no hydrogen 3.062 N/A ASP 38.A N ARG 34.A O no hydrogen 3.030 N/A LEU 39.A N TYR 35.A O no hydrogen 2.935 N/A ASP 40.A N PHE 36.A O no hydrogen 2.788 N/A LYS 41.A N LYS 37.A O no hydrogen 2.818 N/A LYS 41.A NZ ASN 140.A OD1 no hydrogen 2.711 N/A PHE 42.A N ASP 38.A O no hydrogen 2.893 N/A SER 45.A N GLU 190.A O no hydrogen 2.862 N/A SER 45.A OG PHE 42.A O no hydrogen 2.784 N/A ASP 46.A N LYS 71.A O no hydrogen 3.017 N/A VAL 47.A N LYS 71.A O no hydrogen 2.996 N/A ILE 48.A N VAL 208.A O no hydrogen 2.894 N/A ILE 49.A N CYS 73.A O no hydrogen 2.809 N/A VAL 50.A N LEU 210.A O no hydrogen 2.869 N/A GLY 51.A N ILE 75.A O no hydrogen 2.820 N/A ALA 52.A N GLU 76.A OE1 no hydrogen 2.799 N/A SER 54.A OG.A SER 85.A OG no hydrogen 3.300 N/A SER 54.A OG.B SER 85.A OG no hydrogen 2.300 N/A LEU 57.A N GLY 53.A O no hydrogen 2.929 N/A SER 58.A N SER 54.A O no hydrogen 2.994 N/A SER 58.A OG SER 54.A O no hydrogen 2.733 N/A ALA 59.A N SER 55.A O no hydrogen 3.020 N/A ALA 60.A N GLY 56.A O no hydrogen 2.858 N/A TYR 61.A N LEU 57.A O no hydrogen 3.043 N/A VAL 62.A N SER 58.A O no hydrogen 3.287 N/A ILE 63.A N ALA 59.A O no hydrogen 2.932 N/A ALA 64.A N ALA 60.A O no hydrogen 2.888 N/A LYS 65.A N TYR 61.A O no hydrogen 2.933 N/A LYS 65.A NZ TYR 61.A OH no hydrogen 2.823 N/A LYS 65.A NZ GLU 107.A OE2 no hydrogen 2.605 N/A ASN 66.A N VAL 62.A O no hydrogen 3.193 N/A ASN 66.A ND2 VAL 62.A O no hydrogen 2.787 N/A ARG 67.A N ILE 63.A O no hydrogen 2.832 N/A ARG 67.A NE ASP 69.A OD1 no hydrogen 2.950 N/A ARG 67.A NH1 PHE 302.A O no hydrogen 3.300 N/A ARG 67.A NH2 ASP 69.A OD2 no hydrogen 2.876 N/A LEU 70.A N ARG 67.A O no hydrogen 3.164 N/A LYS 71.A N ASP 46.A OD2 no hydrogen 2.805 N/A LYS 71.A NZ LYS 41.A O no hydrogen 3.424 N/A LYS 71.A NZ VAL 44.A O no hydrogen 2.574 N/A VAL 72.A N ASN 140.A O no hydrogen 2.948 N/A CYS 73.A N VAL 47.A O no hydrogen 2.787 N/A ILE 74.A N LYS 142.A O no hydrogen 2.763 N/A ILE 75.A N ILE 49.A O no hydrogen 2.849 N/A GLU 76.A N PHE 144.A O no hydrogen 3.047 N/A SER 78.A N GLU 76.A OE2 no hydrogen 2.867 N/A GLY 82.A N ALA 52.A O no hydrogen 2.694 N/A SER 85.A N GLY 82.A O no hydrogen 3.108 N/A SER 85.A OG SER 54.A OG.B no hydrogen 2.300 N/A TRP 86.A NE1 PRO 81.A O no hydrogen 2.818 N/A GLY 88.A N PHE 92.A O no hydrogen 2.670 N/A PHE 92.A N GLY 89.A O no hydrogen 2.884 N/A MET 95.A N VAL 121.A O no hydrogen 3.021 N/A MET 97.A N VAL 119.A O no hydrogen 2.894 N/A ARG 98.A NH1 MET 244.A O no hydrogen 3.115 N/A ARG 98.A NH1 GLU 248.A OE2 no hydrogen 2.871 N/A LYS 99.A N ASP 117.A O no hydrogen 3.138 N/A LYS 99.A NZ ASP 114.A OD1 no hydrogen 3.184 N/A LYS 99.A NZ ASP 114.A OD2 no hydrogen 3.071 N/A LYS 99.A NZ GLY 116.A O no hydrogen 2.818 N/A ALA 101.A N ARG 98.A O no hydrogen 2.943 N/A LEU 103.A N PRO 100.A O no hydrogen 3.034 N/A PHE 104.A N ALA 101.A O no hydrogen 2.997 N/A LEU 105.A N ALA 101.A O no hydrogen 3.394 N/A GLN 106.A N HIS 102.A O no hydrogen 2.936 N/A GLN 106.A NE2 TYR 112.A OH no hydrogen 2.865 N/A GLU 107.A N LEU 103.A O no hydrogen 3.087 N/A LEU 108.A N PHE 104.A O no hydrogen 3.071 N/A GLU 109.A N GLN 106.A O no hydrogen 3.044 N/A ILE 110.A N LEU 105.A O no hydrogen 2.883 N/A GLU 113.A N VAL 120.A O no hydrogen 2.795 N/A GLU 115.A N TYR 118.A O no hydrogen 2.892 N/A GLY 116.A N ASP 114.A OD1 no hydrogen 2.838 N/A VAL 119.A N MET 97.A O no hydrogen 2.856 N/A VAL 120.A N GLU 113.A O no hydrogen 2.833 N/A VAL 121.A N MET 95.A O no hydrogen 2.905 N/A ALA 124.A N SER 93.A O no hydrogen 2.898 N/A ALA 125.A N HIS 123.A ND1 no hydrogen 3.128 N/A LEU 126.A N HIS 123.A O no hydrogen 2.822 N/A ILE 128.A N ALA 124.A O no hydrogen 3.116 N/A SER 129.A N ALA 125.A O no hydrogen 2.965 N/A SER 129.A OG ALA 125.A O no hydrogen 2.696 N/A SER 129.A OG LEU 126.A O no hydrogen 3.403 N/A THR 130.A N LEU 126.A O no hydrogen 3.180 N/A THR 130.A OG1 LEU 126.A O no hydrogen 2.704 N/A VAL 131.A N.A PHE 127.A O no hydrogen 3.076 N/A VAL 131.A N.B PHE 127.A O no hydrogen 3.088 N/A LEU 132.A N ILE 128.A O no hydrogen 2.977 N/A SER 133.A N SER 129.A O no hydrogen 2.950 N/A LYS 134.A N THR 130.A O no hydrogen 3.016 N/A VAL 135.A N VAL 131.A O.A no hydrogen 2.806 N/A VAL 135.A N VAL 131.A O.B no hydrogen 2.888 N/A LEU 136.A N LEU 132.A O no hydrogen 2.914 N/A GLN 137.A N SER 133.A O no hydrogen 3.289 N/A LEU 138.A N VAL 135.A O no hydrogen 3.198 N/A ASN 140.A ND2 PRO 68.A O no hydrogen 2.731 N/A LYS 142.A N VAL 72.A O no hydrogen 2.966 N/A LYS 142.A NZ ASP 38.A OD2 no hydrogen 2.679 N/A PHE 144.A N ILE 74.A O no hydrogen 2.821 N/A ASN 145.A N ASN 145.A OD1 no hydrogen 2.705 N/A ASN 145.A ND2 VAL 79.A O no hydrogen 2.815 N/A ALA 146.A N SER 78.A O no hydrogen 3.063 N/A THR 147.A N GLU 76.A O no hydrogen 3.048 N/A THR 147.A OG1 ASN 145.A O no hydrogen 2.979 N/A CYS 148.A N.A ASN 171.A O no hydrogen 2.878 N/A CYS 148.A N.B ASN 171.A O no hydrogen 2.837 N/A CYS 148.A SG.A ASN 171.A O no hydrogen 4.015 N/A CYS 148.A SG.A THR 176.A OG1 no hydrogen 2.658 N/A CYS 148.A SG.B VAL 149.A O no hydrogen 3.554 N/A GLU 150.A N VAL 169.A O no hydrogen 2.843 N/A LEU 152.A N ASP 151.A OD1 no hydrogen 2.785 N/A VAL 153.A N GLY 167.A O no hydrogen 2.920 N/A ARG 155.A N THR 164.A O no hydrogen 2.883 N/A ARG 155.A NE GLY 198.A O no hydrogen 2.905 N/A ARG 155.A NH1 THR 154.A O no hydrogen 2.902 N/A ARG 155.A NH2 GLY 198.A O no hydrogen 3.014 N/A THR 158.A N GLY 161.A O no hydrogen 3.110 N/A LYS 160.A N THR 158.A OG1 no hydrogen 3.025 N/A GLY 161.A N THR 158.A O no hydrogen 3.143 N/A THR 164.A OG1 PRO 156.A O no hydrogen 3.298 N/A ALA 166.A N VAL 153.A O no hydrogen 2.759 N/A VAL 168.A N ILE 189.A O no hydrogen 2.822 N/A VAL 169.A N ASP 151.A O no hydrogen 2.835 N/A THR 170.A N ASN 187.A O no hydrogen 2.924 N/A ASN 171.A N CYS 148.A O.A no hydrogen 3.121 N/A ASN 171.A N CYS 148.A O.B no hydrogen 3.102 N/A ASN 171.A ND2 MET 184.A O no hydrogen 3.421 N/A ASN 171.A ND2 ASP 185.A O no hydrogen 3.044 N/A TRP 172.A N ASN 171.A OD1 no hydrogen 2.958 N/A THR 173.A N ALA 146.A O no hydrogen 3.064 N/A THR 173.A OG1 SER 77.A O no hydrogen 2.542 N/A VAL 175.A N TRP 172.A O no hydrogen 2.830 N/A THR 176.A N TRP 172.A O no hydrogen 3.109 N/A THR 176.A OG1 GLU 150.A OE2 no hydrogen 2.650 N/A THR 176.A OG1 TRP 172.A O no hydrogen 3.511 N/A GLN 177.A N THR 173.A O no hydrogen 2.884 N/A ALA 178.A N VAL 175.A O no hydrogen 2.867 N/A HIS 179.A N THR 176.A O no hydrogen 3.248 N/A HIS 179.A NE2 GLU 150.A OE1 no hydrogen 3.093 N/A HIS 179.A NE2 GLU 150.A OE2 no hydrogen 2.929 N/A THR 181.A N ALA 178.A O no hydrogen 2.931 N/A ASN 187.A N THR 170.A O no hydrogen 2.682 N/A VAL 188.A N.A ASN 187.A OD1 no hydrogen 2.874 N/A VAL 188.A N.B ASN 187.A OD1 no hydrogen 2.881 N/A ILE 189.A N VAL 168.A O no hydrogen 2.929 N/A GLU 190.A N ALA 43.A O no hydrogen 2.854 N/A LEU 191.A N ALA 166.A O no hydrogen 2.892 N/A ALA 192.A N SER 45.A O no hydrogen 2.853 N/A TYR 194.A OH HIS 206.A NE2 no hydrogen 2.764 N/A LYS 195.A N THR 199.A O no hydrogen 2.799 N/A GLY 198.A N LYS 195.A O no hydrogen 2.983 N/A THR 199.A N ASP 197.A OD1 no hydrogen 3.027 N/A THR 199.A OG1 ASP 197.A OD1 no hydrogen 2.720 N/A THR 199.A OG1 ASP 197.A OD2 no hydrogen 3.377 N/A ARG 200.A NH1 GLN 204.A O no hydrogen 2.928 N/A ARG 200.A NH2 GLY 193.A O no hydrogen 2.849 N/A ARG 200.A NH2 GLN 204.A O no hydrogen 2.919 N/A ASP 201.A N GLY 193.A O no hydrogen 2.877 N/A SER 203.A N ASP 201.A OD1 no hydrogen 3.003 N/A SER 203.A OG ASP 201.A OD1 no hydrogen 2.669 N/A SER 203.A OG ASP 201.A OD2 no hydrogen 3.232 N/A GLN 204.A N ASP 201.A O no hydrogen 2.983 N/A GLN 204.A NE2 ASP 201.A OD2 no hydrogen 2.520 N/A LYS 205.A NZ HIS 301.A O no hydrogen 3.142 N/A HIS 206.A ND1 GLY 207.A O no hydrogen 2.659 N/A HIS 206.A NE2 TYR 194.A OH no hydrogen 2.764 N/A GLY 207.A N ALA 192.A O no hydrogen 2.726 N/A VAL 208.A N ASP 46.A O no hydrogen 2.854 N/A ILE 209.A N ASN 263.A O no hydrogen 3.050 N/A LEU 210.A N ILE 48.A O no hydrogen 2.827 N/A SER 211.A N TYR 265.A O no hydrogen 2.826 N/A SER 211.A OG GLU 270.A OE1 no hydrogen 2.643 N/A SER 211.A OG GLU 270.A OE2 no hydrogen 3.367 N/A THR 212.A N VAL 50.A O no hydrogen 2.789 N/A THR 212.A OG1 VAL 50.A O no hydrogen 3.055 N/A THR 212.A OG1 GLY 51.A O no hydrogen 2.817 N/A THR 213.A N GLU 270.A OE1 no hydrogen 2.998 N/A THR 213.A OG1 GLU 270.A OE1 no hydrogen 2.727 N/A GLY 220.A N GLY 217.A O no hydrogen 3.520 N/A ALA 221.A N THR 213.A O no hydrogen 3.431 N/A PHE 222.A N THR 213.A OG1 no hydrogen 2.883 N/A CYS 223.A SG SER 211.A OG no hydrogen 3.185 N/A ALA 224.A N GLU 270.A OE2 no hydrogen 2.804 N/A LYS 225.A N ALA 221.A O no hydrogen 3.203 N/A LYS 225.A NZ GLY 220.A O no hydrogen 3.089 N/A ARG 226.A N PHE 222.A O no hydrogen 3.016 N/A ARG 226.A NE ASP 151.A OD1 no hydrogen 2.740 N/A ARG 226.A NH2 ASP 151.A OD1 no hydrogen 3.225 N/A ARG 226.A NH2 ASP 151.A OD2 no hydrogen 3.244 N/A ILE 227.A N CYS 223.A O no hydrogen 2.908 N/A VAL 228.A N ALA 224.A O no hydrogen 3.065 N/A ASP 229.A N LYS 225.A O no hydrogen 2.833 N/A ILE 230.A N ARG 226.A O no hydrogen 2.946 N/A ASP 231.A N ILE 227.A O no hydrogen 2.999 N/A ASN 233.A N ASP 231.A OD1 no hydrogen 2.924 N/A GLN 234.A N ASP 231.A O no hydrogen 3.230 N/A LYS 235.A NZ LEU 236.A O no hydrogen 3.348 N/A GLY 237.A N LEU 274.A O no hydrogen 3.058 N/A GLY 238.A N GLU 273.A O no hydrogen 2.775 N/A MET 239.A N GLU 273.A OE2 no hydrogen 2.660 N/A LYS 240.A N LEU 277.A O no hydrogen 2.848 N/A LYS 240.A NZ GLY 237.A O no hydrogen 2.892 N/A LYS 240.A NZ GLY 238.A O no hydrogen 3.225 N/A ASP 243.A N ARG 279.A O no hydrogen 2.854 N/A HIS 246.A N ASP 243.A OD1 no hydrogen 3.236 N/A HIS 246.A ND1 ASP 243.A OD1 no hydrogen 3.171 N/A HIS 246.A ND1 ASP 243.A OD2 no hydrogen 2.837 N/A ALA 247.A N ASP 243.A O no hydrogen 2.728 N/A GLU 248.A N MET 244.A O no hydrogen 3.140 N/A HIS 249.A N ASN 245.A O no hydrogen 3.431 N/A ASP 250.A N HIS 246.A O no hydrogen 2.967 N/A VAL 251.A N ALA 247.A O no hydrogen 2.933 N/A VAL 252.A N GLU 248.A O no hydrogen 3.246 N/A ILE 253.A N HIS 249.A O no hydrogen 3.070 N/A HIS 254.A N ASP 250.A O no hydrogen 2.764 N/A HIS 254.A ND1 ASP 275.A OD2 no hydrogen 2.883 N/A SER 255.A N VAL 251.A O no hydrogen 3.095 N/A SER 255.A N VAL 252.A O no hydrogen 3.403 N/A SER 255.A OG VAL 251.A O no hydrogen 2.614 N/A GLY 256.A N PHE 266.A O no hydrogen 2.861 N/A ALA 257.A N GLN 297.A OE1 no hydrogen 2.678 N/A TYR 258.A N MET 264.A O no hydrogen 2.956 N/A VAL 261.A N TYR 258.A O no hydrogen 3.419 N/A TYR 265.A N ILE 209.A O no hydrogen 2.754 N/A PHE 266.A N GLY 256.A O no hydrogen 3.007 N/A ALA 267.A N SER 211.A O no hydrogen 3.286 N/A GLY 268.A N SER 290.A OG no hydrogen 3.069 N/A VAL 271.A N GLY 268.A O no hydrogen 3.085 N/A GLU 273.A N MET 269.A O no hydrogen 3.189 N/A LEU 274.A N GLU 270.A O no hydrogen 3.004 N/A ASP 275.A N VAL 271.A O no hydrogen 2.902 N/A LEU 277.A N ALA 272.A O no hydrogen 2.922 N/A ASN 278.A ND2 GLY 241.A O no hydrogen 2.953 N/A ARG 279.A N GLY 241.A O no hydrogen 3.099 N/A THR 283.A N GLY 281.A O no hydrogen 2.818 N/A THR 283.A OG1 VAL 96.A O no hydrogen 2.979 N/A PHE 284.A N VAL 96.A O no hydrogen 2.986 N/A ALA 286.A N GLU 248.A OE1 no hydrogen 2.832 N/A MET 287.A N PHE 284.A O no hydrogen 3.245 N/A ALA 288.A N PHE 284.A O no hydrogen 3.420 N/A LEU 289.A N GLY 285.A O no hydrogen 3.021 N/A SER 290.A N ALA 286.A O no hydrogen 2.777 N/A SER 290.A OG ALA 286.A O no hydrogen 2.859 N/A SER 290.A OG MET 287.A O no hydrogen 3.153 N/A GLY 291.A N MET 287.A O no hydrogen 3.254 N/A VAL 292.A N ALA 288.A O no hydrogen 3.045 N/A HIS 293.A N LEU 289.A O no hydrogen 2.942 N/A HIS 293.A ND1 VAL 252.A O no hydrogen 2.701 N/A ALA 294.A N SER 290.A O no hydrogen 2.978 N/A ALA 295.A N GLY 291.A O no hydrogen 2.879 N/A GLU 296.A N VAL 292.A O no hydrogen 2.915 N/A GLN 297.A N HIS 293.A O no hydrogen 3.238 N/A GLN 297.A NE2 HIS 293.A NE2 no hydrogen 3.165 N/A ILE 298.A N ALA 294.A O no hydrogen 2.965 N/A LEU 299.A N ALA 295.A O no hydrogen 2.829 N/A LYS 300.A N GLU 296.A O no hydrogen 2.989 N/A LYS 300.A NZ GLU 296.A OE2 no hydrogen 3.228 N/A HIS 301.A N GLN 297.A O no hydrogen 3.047 N/A HIS 301.A NE2 HIS 206.A O no hydrogen 2.875 N/A PHE 302.A N ILE 298.A O no hydrogen 3.193 N/A ALA 303.A N LYS 300.A O no hydrogen 3.254 N/A