Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n1z_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH THR 50.A OG1 no hydrogen 2.799 N/A LYS 6.A N TYR 2.A O no hydrogen 3.075 N/A LYS 6.A NZ LYS 44.A O no hydrogen 3.025 N/A PHE 9.A N GLU 5.A O no hydrogen 3.074 N/A VAL 10.A N LYS 6.A O no hydrogen 2.999 N/A GLN 11.A N GLN 7.A O no hydrogen 3.152 N/A HIS 12.A N ASP 8.A O no hydrogen 3.234 N/A HIS 12.A N PHE 9.A O no hydrogen 3.231 N/A PHE 13.A N VAL 10.A O no hydrogen 3.262 N/A ILE 16.A N HIS 12.A O no hydrogen 3.306 N/A VAL 17.A N PHE 13.A O no hydrogen 2.931 N/A ARG 18.A N SER 14.A O no hydrogen 2.922 N/A VAL 19.A N GLN 15.A O no hydrogen 2.785 N/A LEU 20.A N ILE 16.A O no hydrogen 3.020 N/A THR 21.A N ARG 18.A O no hydrogen 3.152 N/A THR 21.A OG1 VAL 17.A O no hydrogen 2.828 N/A GLY 26.A N PRO 23.A O no hydrogen 3.173 N/A ILE 29.A N ILE 25.A O no hydrogen 2.897 N/A ALA 30.A N GLY 26.A O no hydrogen 2.838 N/A ARG 31.A N ASP 27.A O no hydrogen 2.933 N/A ARG 31.A NE ASP 118.A OD1 no hydrogen 2.960 N/A ARG 31.A NH2 ASP 118.A OD1 no hydrogen 3.383 N/A ARG 31.A NH2 ASP 118.A OD2 no hydrogen 2.584 N/A LEU 32.A N ALA 28.A O no hydrogen 3.064 N/A LYS 33.A N ILE 29.A O no hydrogen 3.144 N/A GLU 34.A N ALA 30.A O no hydrogen 3.184 N/A VAL 35.A N ARG 31.A O no hydrogen 2.911 N/A LEU 36.A N LEU 32.A O no hydrogen 2.869 N/A GLU 37.A N LYS 33.A O no hydrogen 3.025 N/A TYR 38.A N GLU 34.A O no hydrogen 3.136 N/A TYR 38.A OH ILE 103.A O no hydrogen 2.567 N/A ASN 39.A N VAL 35.A O no hydrogen 2.867 N/A ASN 39.A ND2 VAL 35.A O no hydrogen 2.687 N/A ALA 40.A N LEU 36.A O no hydrogen 2.766 N/A GLY 42.A N TYR 45.A OH no hydrogen 3.068 N/A ARG 47.A NE SER 190.A OG no hydrogen 2.718 N/A ARG 47.A NH2 SER 190.A OG no hydrogen 3.249 N/A GLY 48.A N GLU 80.A OE1 no hydrogen 3.000 N/A LEU 49.A N TYR 45.A O no hydrogen 2.736 N/A THR 50.A N ASN 46.A O no hydrogen 2.894 N/A THR 50.A OG1 TYR 2.A OH no hydrogen 2.799 N/A THR 50.A OG1 ASN 46.A O no hydrogen 2.623 N/A VAL 51.A N GLY 48.A O no hydrogen 3.120 N/A VAL 53.A N LEU 49.A O no hydrogen 2.943 N/A ALA 54.A N THR 50.A O no hydrogen 2.872 N/A PHE 55.A N VAL 51.A O no hydrogen 2.923 N/A ARG 56.A N VAL 52.A O no hydrogen 2.984 N/A GLU 57.A N VAL 53.A O no hydrogen 3.130 N/A LEU 58.A N PHE 55.A O no hydrogen 2.900 N/A VAL 59.A N PHE 55.A O no hydrogen 3.071 N/A LYS 63.A N GLU 60.A O no hydrogen 2.696 N/A GLN 64.A N PRO 61.A O no hydrogen 3.316 N/A GLN 64.A NE2 ARG 56.A O no hydrogen 2.930 N/A GLN 64.A NE2 VAL 59.A O no hydrogen 2.623 N/A SER 68.A N ASP 65.A OD2 no hydrogen 2.657 N/A SER 68.A OG LYS 63.A O no hydrogen 3.297 N/A LEU 69.A N ASP 65.A O no hydrogen 3.155 N/A GLN 70.A N ALA 66.A O no hydrogen 2.997 N/A GLN 70.A NE2 GLN 15.A OE1 no hydrogen 2.756 N/A ARG 71.A N ASP 67.A O no hydrogen 3.172 N/A ALA 72.A N SER 68.A O no hydrogen 3.327 N/A TRP 73.A N LEU 69.A O no hydrogen 3.008 N/A THR 74.A N GLN 70.A O no hydrogen 3.021 N/A THR 74.A OG1 GLN 70.A O no hydrogen 3.253 N/A VAL 75.A N ARG 71.A O no hydrogen 2.945 N/A GLY 76.A N ALA 72.A O no hydrogen 2.912 N/A TRP 77.A N TRP 73.A O no hydrogen 2.920 N/A TRP 77.A NE1 PHE 9.A O no hydrogen 3.063 N/A CYS 78.A N THR 74.A O no hydrogen 2.804 N/A CYS 78.A SG THR 74.A O no hydrogen 3.439 N/A CYS 78.A SG ILE 126.A O no hydrogen 3.575 N/A VAL 79.A N VAL 75.A O no hydrogen 2.984 N/A GLU 80.A N GLY 76.A O no hydrogen 3.248 N/A LEU 81.A N TRP 77.A O no hydrogen 2.845 N/A LEU 82.A N CYS 78.A O no hydrogen 2.979 N/A GLN 83.A N VAL 79.A O no hydrogen 3.047 N/A ALA 84.A N GLU 80.A O no hydrogen 2.846 N/A PHE 85.A N LEU 81.A O no hydrogen 2.951 N/A PHE 86.A N LEU 82.A O no hydrogen 2.958 N/A LEU 87.A N GLN 83.A O no hydrogen 2.847 N/A VAL 88.A N ALA 84.A O no hydrogen 3.003 N/A ALA 89.A N PHE 85.A O no hydrogen 3.395 N/A ASP 90.A N PHE 86.A O no hydrogen 2.878 N/A ASP 91.A N LEU 87.A O no hydrogen 3.070 N/A MET 93.A N ALA 89.A O no hydrogen 3.146 N/A ASP 94.A N ASP 90.A O no hydrogen 2.735 N/A SER 95.A N ILE 92.A O no hydrogen 3.131 N/A SER 96.A N ASP 91.A O no hydrogen 2.945 N/A ARG 99.A N GLN 102.A O no hydrogen 2.759 N/A ARG 99.A NE ASP 91.A OD2 no hydrogen 3.103 N/A ARG 99.A NH2 ASP 91.A OD1 no hydrogen 2.664 N/A GLY 101.A N GLY 241.A O no hydrogen 2.728 N/A GLN 102.A N ARG 99.A O no hydrogen 3.077 N/A CYS 104.A N LEU 97.A O no hydrogen 2.900 N/A TRP 105.A NE1 ASP 118.A OD2 no hydrogen 3.057 N/A TYR 106.A OH SER 96.A O no hydrogen 2.847 N/A GLN 107.A N CYS 104.A O no hydrogen 3.033 N/A GLN 107.A NE2 SER 96.A O no hydrogen 3.289 N/A LYS 108.A N TRP 105.A O no hydrogen 3.127 N/A VAL 111.A N LYS 108.A O no hydrogen 3.266 N/A ASP 114.A N VAL 111.A O no hydrogen 3.211 N/A ALA 115.A N GLY 112.A O no hydrogen 2.979 N/A ILE 116.A N LEU 113.A O no hydrogen 3.150 N/A ASP 118.A N ASP 114.A O no hydrogen 3.150 N/A ALA 119.A N ALA 115.A O no hydrogen 2.870 N/A ASN 120.A N ILE 116.A O no hydrogen 3.425 N/A ASN 120.A ND2 ILE 116.A O no hydrogen 3.381 N/A LEU 121.A N ASN 117.A O no hydrogen 2.900 N/A LEU 122.A N ASP 118.A O no hydrogen 3.114 N/A GLU 123.A N ALA 119.A O no hydrogen 3.196 N/A ALA 124.A N ASN 120.A O no hydrogen 2.864 N/A CYS 125.A N LEU 121.A O no hydrogen 3.108 N/A CYS 125.A N LEU 122.A O no hydrogen 3.333 N/A CYS 125.A SG LEU 121.A O no hydrogen 3.517 N/A ILE 126.A N GLU 123.A O no hydrogen 3.097 N/A ARG 128.A N ALA 124.A O no hydrogen 3.212 N/A LEU 129.A N CYS 125.A O no hydrogen 2.843 N/A LEU 130.A N ILE 126.A O no hydrogen 2.877 N/A LYS 131.A N TYR 127.A O no hydrogen 3.079 N/A LEU 132.A N ARG 128.A O no hydrogen 2.976 N/A TYR 133.A N LEU 129.A O no hydrogen 3.003 N/A TYR 133.A OH GLN 15.A OE1 no hydrogen 3.346 N/A CYS 134.A N LEU 130.A O no hydrogen 2.887 N/A GLN 137.A N CYS 134.A O no hydrogen 2.878 N/A TYR 140.A N GLN 137.A O no hydrogen 3.433 N/A LEU 143.A N TYR 139.A O no hydrogen 2.937 N/A ILE 144.A N TYR 140.A O no hydrogen 2.983 N/A GLU 145.A N LEU 141.A O no hydrogen 2.919 N/A LEU 146.A N ASN 142.A O no hydrogen 2.918 N/A PHE 147.A N LEU 143.A O no hydrogen 2.931 N/A LEU 148.A N ILE 144.A O no hydrogen 3.076 N/A GLN 149.A N GLU 145.A O no hydrogen 2.767 N/A SER 150.A N LEU 146.A O no hydrogen 2.873 N/A SER 150.A OG LEU 146.A O no hydrogen 2.865 N/A SER 151.A N PHE 147.A O no hydrogen 3.099 N/A SER 151.A OG PHE 147.A O no hydrogen 2.840 N/A TYR 152.A N LEU 148.A O no hydrogen 2.932 N/A GLN 153.A N GLN 149.A O no hydrogen 2.981 N/A GLN 153.A NE2 GLN 149.A O no hydrogen 2.983 N/A THR 154.A N SER 150.A O no hydrogen 3.182 N/A GLU 155.A N SER 151.A O no hydrogen 2.815 N/A ILE 156.A N TYR 152.A O no hydrogen 2.806 N/A GLY 157.A N GLN 153.A O no hydrogen 2.935 N/A GLN 158.A N THR 154.A O no hydrogen 2.946 N/A GLN 158.A NE2 ASP 90.A OD2 no hydrogen 3.437 N/A THR 159.A N GLU 155.A O no hydrogen 3.099 N/A THR 159.A OG1 GLU 155.A O no hydrogen 3.107 N/A LEU 160.A N ILE 156.A O no hydrogen 3.215 N/A ASP 161.A N GLY 157.A O no hydrogen 2.913 N/A LEU 162.A N GLN 158.A O no hydrogen 2.803 N/A LEU 163.A N THR 159.A O no hydrogen 2.774 N/A THR 164.A N LEU 160.A O no hydrogen 3.050 N/A THR 164.A OG1 LEU 160.A O no hydrogen 2.845 N/A ALA 165.A N LEU 162.A O no hydrogen 3.163 N/A ASN 169.A N PRO 166.A O no hydrogen 3.470 N/A PHE 173.A N LEU 170.A O no hydrogen 3.231 N/A THR 174.A N ARG 172.A O no hydrogen 2.967 N/A ARG 177.A N THR 174.A OG1 no hydrogen 3.230 N/A ARG 177.A NH1 THR 164.A OG1 no hydrogen 2.469 N/A TYR 178.A N THR 174.A O no hydrogen 3.122 N/A TYR 178.A OH ASP 229.A OD2 no hydrogen 2.412 N/A LYS 179.A N GLU 175.A O no hydrogen 3.086 N/A LYS 179.A NZ GLU 175.A OE2 no hydrogen 3.462 N/A SER 180.A N LYS 176.A O no hydrogen 3.275 N/A ILE 181.A N ARG 177.A O no hydrogen 3.003 N/A VAL 182.A N TYR 178.A O no hydrogen 3.083 N/A LYS 183.A N LYS 179.A O no hydrogen 3.172 N/A TYR 184.A N SER 180.A O no hydrogen 3.480 N/A LYS 185.A N ILE 181.A O no hydrogen 2.919 N/A LYS 185.A NZ ASP 161.A OD1 no hydrogen 2.919 N/A THR 186.A N VAL 182.A O no hydrogen 3.135 N/A THR 186.A OG1 GLN 225.A OE1 no hydrogen 2.703 N/A ALA 187.A N VAL 182.A O no hydrogen 3.033 N/A PHE 188.A N LYS 183.A O no hydrogen 3.350 N/A TYR 189.A OH GLN 83.A OE1 no hydrogen 2.556 N/A SER 190.A N THR 186.A O no hydrogen 3.038 N/A TYR 192.A N ALA 187.A O no hydrogen 3.459 N/A TYR 192.A OH HIS 210.A ND1 no hydrogen 2.747 N/A LEU 193.A N PHE 188.A O no hydrogen 2.852 N/A ALA 196.A N TYR 192.A O no hydrogen 2.867 N/A ALA 197.A N LEU 193.A O no hydrogen 2.955 N/A ALA 198.A N PRO 194.A O no hydrogen 3.165 N/A MET 199.A N ILE 195.A O no hydrogen 2.784 N/A TYR 200.A N ALA 196.A O no hydrogen 2.915 N/A MET 201.A N ALA 197.A O no hydrogen 3.109 N/A ALA 202.A N ALA 198.A O no hydrogen 3.020 N/A ALA 202.A N MET 199.A O no hydrogen 3.111 N/A GLY 203.A N TYR 200.A O no hydrogen 3.320 N/A ILE 204.A N MET 199.A O no hydrogen 2.849 N/A HIS 210.A N GLY 206.A O no hydrogen 3.222 N/A HIS 210.A ND1 TYR 192.A OH no hydrogen 2.747 N/A HIS 210.A NE2 ILE 204.A O no hydrogen 3.128 N/A ALA 211.A N GLU 207.A O no hydrogen 2.924 N/A ASN 212.A N LYS 208.A O no hydrogen 2.897 N/A ALA 213.A N GLU 209.A O no hydrogen 3.059 N/A LYS 214.A N HIS 210.A O no hydrogen 2.730 N/A LYS 215.A N ALA 211.A O no hydrogen 2.875 N/A ILE 216.A N ASN 212.A O no hydrogen 3.434 N/A LEU 217.A N ALA 213.A O no hydrogen 2.907 N/A LEU 218.A N LYS 214.A O no hydrogen 2.859 N/A MET 220.A N ILE 216.A O no hydrogen 3.226 N/A GLY 221.A N LEU 217.A O no hydrogen 2.950 N/A GLU 222.A N LEU 218.A O no hydrogen 2.982 N/A PHE 223.A N GLU 219.A O no hydrogen 3.153 N/A PHE 224.A N MET 220.A O no hydrogen 2.965 N/A GLN 225.A N GLY 221.A O no hydrogen 3.026 N/A GLN 225.A NE2 ASP 228.A OD2 no hydrogen 2.913 N/A GLN 225.A NE2 ASP 229.A OD1 no hydrogen 3.144 N/A ILE 226.A N GLU 222.A O no hydrogen 3.080 N/A GLN 227.A N PHE 223.A O no hydrogen 2.911 N/A ASP 228.A N PHE 224.A O no hydrogen 2.951 N/A ASP 229.A N GLN 225.A O no hydrogen 2.779 N/A TYR 230.A N ILE 226.A O no hydrogen 2.946 N/A LEU 231.A N GLN 227.A O no hydrogen 2.863 N/A ASP 232.A N ASP 228.A O no hydrogen 3.078 N/A ASP 232.A N ASP 229.A O no hydrogen 3.126 N/A PHE 234.A N TYR 230.A O no hydrogen 2.859 N/A GLY 235.A N LEU 231.A O no hydrogen 3.087 N/A SER 238.A N ASP 236.A OD1 no hydrogen 3.153 N/A SER 238.A OG ASP 236.A OD2 no hydrogen 3.167 N/A VAL 239.A N ASP 236.A O no hydrogen 2.635 N/A THR 240.A N ASP 236.A O no hydrogen 2.824 N/A THR 240.A OG1 LYS 242.A O no hydrogen 3.056 N/A GLY 241.A N PRO 237.A O no hydrogen 3.230 N/A LYS 242.A NZ ASP 228.A OD1 no hydrogen 2.733 N/A ILE 243.A N THR 98.A OG1 no hydrogen 3.159 N/A THR 245.A N ASP 232.A OD2 no hydrogen 3.424 N/A ASP 246.A N ASP 232.A OD1 no hydrogen 3.130 N/A GLN 248.A N GLN 248.A OE1 no hydrogen 2.776 N/A ASP 249.A N THR 245.A O no hydrogen 2.745 N/A ASN 250.A N ILE 247.A O no hydrogen 3.060 N/A ASN 250.A ND2 PRO 166.A O no hydrogen 2.991 N/A LYS 251.A N ASP 246.A O no hydrogen 3.013 N/A LYS 251.A NZ ASP 94.A OD1 no hydrogen 3.096 N/A LYS 251.A NZ ASP 161.A OD2 no hydrogen 2.764 N/A TRP 254.A N ASP 229.A OD2 no hydrogen 3.122 N/A LEU 255.A N SER 253.A OG no hydrogen 3.300 N/A VAL 257.A N SER 253.A O no hydrogen 3.158 N/A VAL 257.A N TRP 254.A O no hydrogen 3.077 N/A GLN 258.A N TRP 254.A O no hydrogen 3.070 N/A CYS 259.A N LEU 255.A O no hydrogen 3.038 N/A LEU 260.A N VAL 256.A O no hydrogen 3.176 N/A GLN 261.A N VAL 257.A O no hydrogen 3.186 N/A ARG 262.A N CYS 259.A O no hydrogen 2.788 N/A ALA 263.A N LEU 260.A O no hydrogen 3.328 N/A THR 264.A N GLN 267.A OE1 no hydrogen 2.867 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 2.816 N/A GLN 267.A N THR 264.A OG1 no hydrogen 2.988 N/A GLN 267.A NE2 GLU 292.A OE2 no hydrogen 3.224 N/A TYR 268.A N THR 264.A O no hydrogen 2.931 N/A GLN 269.A N PRO 265.A O no hydrogen 3.275 N/A GLN 269.A N GLU 266.A O no hydrogen 2.837 N/A ILE 270.A N GLU 266.A O no hydrogen 3.242 N/A LEU 271.A N GLN 267.A O no hydrogen 3.194 N/A LYS 272.A N TYR 268.A O no hydrogen 3.004 N/A GLU 273.A N GLN 269.A O no hydrogen 2.926 N/A ASN 274.A N ILE 270.A O no hydrogen 3.158 N/A ASN 274.A N LEU 271.A O no hydrogen 3.076 N/A ASN 274.A ND2 LYS 282.A O no hydrogen 3.678 N/A TYR 275.A N LEU 271.A O no hydrogen 2.882 N/A TYR 275.A OH LYS 251.A O no hydrogen 2.651 N/A GLN 277.A NE2 GLU 279.A OE2 no hydrogen 3.450 N/A LYS 282.A N GLU 279.A O no hydrogen 2.764 N/A LYS 282.A NZ GLU 279.A OE2 no hydrogen 3.493 N/A VAL 283.A N GLU 279.A O no hydrogen 3.050 N/A ALA 284.A N ALA 280.A O no hydrogen 2.993 N/A ARG 285.A N GLU 281.A O no hydrogen 3.151 N/A VAL 286.A N LYS 282.A O no hydrogen 3.161 N/A LYS 287.A N VAL 283.A O no hydrogen 2.952 N/A ALA 288.A N ALA 284.A O no hydrogen 2.883 N/A LEU 289.A N ARG 285.A O no hydrogen 3.040 N/A TYR 290.A N VAL 286.A O no hydrogen 3.040 N/A GLU 291.A N LYS 287.A O no hydrogen 3.050 N/A GLU 292.A N ALA 288.A O no hydrogen 2.793 N/A LEU 293.A N LEU 289.A O no hydrogen 3.231 N/A ASP 294.A N GLU 291.A O no hydrogen 3.121 N/A LEU 295.A N TYR 290.A O no hydrogen 3.213 N/A ALA 297.A N ASP 294.A O no hydrogen 2.945 N/A VAL 298.A N ASP 294.A O no hydrogen 2.923 N/A PHE 299.A N LEU 295.A O no hydrogen 2.672 N/A LEU 300.A N PRO 296.A O no hydrogen 3.130 N/A GLN 301.A N ALA 297.A O no hydrogen 2.750 N/A GLN 301.A NE2 ASP 305.A OD1 no hydrogen 2.962 N/A TYR 302.A N VAL 298.A O no hydrogen 2.798 N/A GLU 303.A N PHE 299.A O no hydrogen 2.942 N/A GLU 304.A N LEU 300.A O no hydrogen 3.428 N/A ASP 305.A N GLN 301.A O no hydrogen 3.152 N/A SER 306.A N TYR 302.A O no hydrogen 2.911 N/A TYR 307.A N GLU 303.A O no hydrogen 2.985 N/A SER 308.A N GLU 304.A O no hydrogen 3.092 N/A SER 308.A OG GLU 304.A O no hydrogen 3.561 N/A HIS 309.A N ASP 305.A O no hydrogen 2.909 N/A ILE 310.A N SER 306.A O no hydrogen 2.756 N/A MET 311.A N TYR 307.A O no hydrogen 2.999 N/A ALA 312.A N SER 308.A O no hydrogen 2.794 N/A LEU 313.A N HIS 309.A O no hydrogen 2.961 N/A ILE 314.A N ILE 310.A O no hydrogen 2.836 N/A GLU 315.A N MET 311.A O no hydrogen 3.086 N/A GLN 316.A N ALA 312.A O no hydrogen 2.864 N/A TYR 317.A N LEU 313.A O no hydrogen 2.869 N/A ALA 318.A N ILE 314.A O no hydrogen 3.087 N/A LEU 321.A N ALA 318.A O no hydrogen 2.671 N/A VAL 325.A N PRO 322.A O no hydrogen 3.224 N/A LEU 327.A N PRO 323.A O no hydrogen 2.926 N/A GLY 328.A N ALA 324.A O no hydrogen 2.842 N/A ALA 330.A N PHE 326.A O no hydrogen 2.927 N/A ARG 331.A N LEU 327.A O no hydrogen 2.872 N/A LYS 332.A N GLY 328.A O no hydrogen 3.265 N/A ILE 333.A N LEU 329.A O no hydrogen 3.265 N/A