Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k6u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N GLY 28.A O no hydrogen 3.532 N/A LEU 3.A N ASP 30.A O no hydrogen 2.883 N/A THR 4.A N ASP 53.A OD2 no hydrogen 2.755 N/A VAL 5.A N GLN 32.A O no hydrogen 3.038 N/A PHE 6.A N VAL 54.A O no hydrogen 2.864 N/A HIS 7.A N GLU 34.A O no hydrogen 3.012 N/A HIS 7.A ND1 ALA 8.A O no hydrogen 2.932 N/A ALA 8.A N ALA 56.A O no hydrogen 3.100 N/A GLY 9.A N ALA 36.A O no hydrogen 2.812 N/A SER 10.A OG TYR 254.A OH no hydrogen 2.967 N/A LEU 11.A N ALA 8.A O no hydrogen 2.848 N/A SER 12.A N GLY 9.A O no hydrogen 2.994 N/A SER 12.A OG GLY 9.A O no hydrogen 2.936 N/A PHE 15.A N LEU 11.A O no hydrogen 2.917 N/A GLU 16.A N SER 12.A O no hydrogen 2.945 N/A GLU 17.A N VAL 13.A O no hydrogen 3.279 N/A LEU 18.A N PRO 14.A O no hydrogen 2.916 N/A GLU 19.A N PHE 15.A O no hydrogen 2.793 N/A ALA 20.A N GLU 16.A O no hydrogen 3.082 N/A GLU 21.A N GLU 17.A O no hydrogen 3.088 N/A PHE 22.A N LEU 18.A O no hydrogen 2.843 N/A GLU 23.A N GLU 19.A O no hydrogen 2.913 N/A ALA 24.A N ALA 20.A O no hydrogen 2.980 N/A GLN 25.A N GLU 21.A O no hydrogen 3.162 N/A HIS 26.A N PHE 22.A O no hydrogen 2.945 N/A VAL 29.A N HIS 26.A O no hydrogen 3.264 N/A ASP 30.A N GLU 1.A O no hydrogen 2.676 N/A VAL 31.A N GLU 23.A OE2 no hydrogen 2.942 N/A GLN 32.A N LEU 3.A O no hydrogen 2.761 N/A GLN 32.A NE2 ASP 30.A OD2 no hydrogen 2.939 N/A ARG 33.A NE GLU 19.A OE1 no hydrogen 2.796 N/A ARG 33.A NH1 HIS 7.A NE2 no hydrogen 2.993 N/A GLU 34.A N VAL 5.A O no hydrogen 2.815 N/A ALA 36.A N HIS 7.A O no hydrogen 3.090 N/A SER 41.A N GLY 37.A O no hydrogen 2.917 N/A SER 41.A OG GLY 37.A O no hydrogen 2.823 N/A VAL 42.A N SER 38.A O no hydrogen 3.004 N/A ARG 43.A N ALA 39.A O no hydrogen 2.940 N/A ARG 43.A NH2 GLN 40.A OE1 no hydrogen 2.681 N/A LYS 44.A N GLN 40.A O no hydrogen 3.142 N/A LYS 44.A NZ GLU 34.A OE1 no hydrogen 3.326 N/A ILE 45.A N VAL 42.A O no hydrogen 3.028 N/A THR 46.A N VAL 42.A O no hydrogen 2.921 N/A THR 46.A OG1 VAL 42.A O no hydrogen 3.131 N/A GLU 47.A N ARG 43.A O no hydrogen 2.815 N/A LEU 48.A N ARG 43.A O no hydrogen 3.035 N/A LYS 50.A N LYS 44.A O no hydrogen 2.982 N/A ASP 53.A N THR 4.A O no hydrogen 2.732 N/A VAL 54.A N THR 4.A O no hydrogen 3.121 N/A LEU 55.A N THR 257.A O no hydrogen 2.998 N/A ALA 56.A N PHE 6.A O no hydrogen 2.998 N/A SER 57.A N GLY 255.A O no hydrogen 2.767 N/A SER 57.A OG ASP 59.A O no hydrogen 2.687 N/A ALA 58.A N SER 38.A OG no hydrogen 2.665 N/A ASP 59.A N SER 57.A OG no hydrogen 3.051 N/A TYR 60.A N VAL 253.A O no hydrogen 2.928 N/A ALA 61.A N ASP 59.A OD1 no hydrogen 3.123 N/A LEU 62.A N ASP 59.A O no hydrogen 3.114 N/A ILE 63.A N TYR 60.A O no hydrogen 3.029 N/A SER 65.A N ALA 61.A O no hydrogen 3.106 N/A LEU 66.A N LEU 62.A O no hydrogen 2.733 N/A MET 67.A N ILE 63.A O no hydrogen 2.876 N/A VAL 68.A N ILE 63.A O no hydrogen 3.286 N/A TYR 71.A N MET 67.A O no hydrogen 2.637 N/A ALA 72.A N MET 67.A O no hydrogen 3.123 N/A TYR 75.A N GLU 298.A O no hydrogen 2.996 N/A ALA 76.A N VAL 256.A O no hydrogen 3.022 N/A ALA 77.A N ILE 296.A O no hydrogen 2.813 N/A PHE 78.A N TYR 254.A O no hydrogen 3.026 N/A ARG 80.A N PRO 290.A O no hydrogen 3.026 N/A ASN 81.A N ILE 252.A O no hydrogen 3.050 N/A ASN 81.A ND2 TYR 254.A OH no hydrogen 2.609 N/A MET 83.A N ASP 224.A O no hydrogen 3.059 N/A ILE 84.A N ILE 204.A O no hydrogen 2.960 N/A LEU 85.A N VAL 217.A O no hydrogen 3.226 N/A ALA 86.A N LEU 202.A O no hydrogen 2.849 N/A TYR 87.A N GLU 215.A O no hydrogen 2.861 N/A THR 88.A N SER 91.A OG no hydrogen 3.004 N/A GLU 90.A N THR 88.A OG1 no hydrogen 3.019 N/A SER 91.A N THR 88.A O no hydrogen 3.009 N/A SER 91.A OG THR 88.A O no hydrogen 3.301 N/A SER 91.A OG ASP 200.A O no hydrogen 2.566 N/A LYS 92.A N ASP 200.A OD1 no hydrogen 2.942 N/A LYS 92.A NZ ASP 110.A O no hydrogen 2.944 N/A TYR 93.A OH ASP 110.A OD2 no hydrogen 2.395 N/A GLY 94.A N SER 91.A O no hydrogen 3.131 N/A GLU 96.A N TYR 93.A O no hydrogen 3.011 N/A ASN 98.A N ASN 101.A OD1 no hydrogen 2.892 N/A THR 99.A OG1 ALA 218.A O no hydrogen 2.785 N/A ASN 101.A N ASN 98.A O no hydrogen 3.229 N/A ASN 101.A N ASN 98.A OD1 no hydrogen 2.985 N/A ASN 101.A ND2 GLU 96.A O no hydrogen 3.028 N/A TRP 102.A NE1 TYR 138.A OH no hydrogen 2.906 N/A GLU 104.A N ASN 101.A O no hydrogen 2.915 N/A ILE 105.A N ASN 101.A O no hydrogen 3.115 N/A LEU 106.A N TRP 102.A O no hydrogen 3.032 N/A ARG 107.A N TYR 103.A O no hydrogen 3.070 N/A ARG 107.A N GLU 104.A O no hydrogen 3.162 N/A ARG 107.A NE ASP 146.A OD2 no hydrogen 2.893 N/A ARG 107.A NH1 GLU 104.A OE1.B no hydrogen 2.965 N/A ARG 107.A NH1 ASP 140.A OD2 no hydrogen 2.841 N/A ARG 107.A NH2 ASP 140.A OD1 no hydrogen 3.033 N/A ARG 107.A NH2 ASP 140.A OD2 no hydrogen 3.398 N/A ARG 107.A NH2 ASP 146.A OD2 no hydrogen 3.051 N/A ARG 108.A N ILE 105.A O no hydrogen 3.044 N/A ARG 108.A NE GLU 104.A OE2.A no hydrogen 2.928 N/A ARG 108.A NH1 GLU 96.A OE1 no hydrogen 2.966 N/A ARG 108.A NH2 GLU 96.A OE2 no hydrogen 2.987 N/A ARG 108.A NH2 GLU 104.A OE1.A no hydrogen 3.220 N/A ARG 108.A NH2 GLU 104.A OE2.A no hydrogen 3.263 N/A ASP 110.A N ASP 110.A OD1 no hydrogen 2.527 N/A VAL 111.A N ARG 108.A O no hydrogen 3.101 N/A ARG 112.A N ASP 200.A OD2 no hydrogen 2.955 N/A ARG 112.A NH2 ILE 181.A O no hydrogen 3.098 N/A TYR 113.A N LYS 180.A O no hydrogen 2.888 N/A TYR 113.A OH LEU 147.A O no hydrogen 2.633 N/A GLY 114.A N TYR 201.A O no hydrogen 2.863 N/A PHE 115.A N MET 182.A O no hydrogen 3.177 N/A SER 116.A OG ASP 121.A OD2 no hydrogen 3.204 N/A ASN 117.A N ARG 184.A O no hydrogen 2.992 N/A ASN 117.A ND2 SER 171.A OG no hydrogen 2.900 N/A ASN 119.A ND2 PRO 169.A O no hydrogen 3.016 N/A ASN 119.A ND2 SER 171.A OG no hydrogen 3.066 N/A ASP 120.A N ASN 117.A O no hydrogen 3.260 N/A ASP 120.A N ASN 117.A OD1 no hydrogen 2.808 N/A ASP 121.A N ASN 117.A O no hydrogen 3.028 N/A ALA 123.A N ASP 121.A OD1 no hydrogen 3.223 N/A GLY 124.A N ASP 121.A O no hydrogen 2.714 N/A TYR 125.A N ASP 121.A O no hydrogen 3.253 N/A ARG 126.A N PRO 122.A O no hydrogen 2.844 N/A ARG 126.A NH1 TYR 205.A OH no hydrogen 2.839 N/A SER 127.A N ALA 123.A O no hydrogen 2.989 N/A SER 127.A OG GLY 124.A O no hydrogen 2.716 N/A GLN 128.A NE2 SER 127.A OG no hydrogen 3.139 N/A MET 129.A N TYR 125.A O no hydrogen 3.032 N/A VAL 130.A N ARG 126.A O no hydrogen 3.011 N/A THR 131.A N SER 127.A O no hydrogen 3.258 N/A THR 131.A OG1 SER 127.A O no hydrogen 2.778 N/A THR 131.A OG1 TYR 203.A OH no hydrogen 2.925 N/A GLN 132.A N GLN 128.A O no hydrogen 3.017 N/A LEU 133.A N MET 129.A O no hydrogen 2.915 N/A ALA 134.A N VAL 130.A O no hydrogen 3.002 N/A GLU 135.A N GLN 132.A O no hydrogen 3.159 N/A TYR 137.A N LEU 133.A O no hydrogen 3.475 N/A TYR 138.A N ALA 134.A O no hydrogen 2.909 N/A TYR 138.A OH THR 99.A O no hydrogen 2.684 N/A ASP 140.A N GLU 135.A O no hydrogen 2.956 N/A MET 142.A N ASP 140.A OD1 no hydrogen 3.048 N/A TYR 144.A N GLU 135.A OE2 no hydrogen 2.717 N/A TYR 144.A OH GLN 128.A OE1 no hydrogen 2.727 N/A ASP 146.A N MET 142.A O no hydrogen 2.801 N/A LEU 147.A N ILE 143.A O no hydrogen 3.028 N/A MET 148.A N TYR 144.A O no hydrogen 2.837 N/A LEU 149.A N TYR 144.A O no hydrogen 3.059 N/A ALA 150.A N ASP 145.A O no hydrogen 2.896 N/A ASN 151.A N MET 148.A O no hydrogen 3.289 N/A ASN 151.A ND2 LEU 147.A O no hydrogen 3.249 N/A THR 152.A OG1 MET 148.A O no hydrogen 2.837 N/A GLY 153.A N ILE 174.A O no hydrogen 2.814 N/A MET 154.A N THR 152.A OG1 no hydrogen 3.097 N/A THR 155.A N HIS 167.A O no hydrogen 3.094 N/A THR 157.A N LEU 165.A O no hydrogen 2.845 N/A THR 157.A OG1 HIS 167.A NE2 no hydrogen 3.028 N/A GLU 159.A N THR 163.A O no hydrogen 2.838 N/A ASN 161.A ND2 GLU 159.A O no hydrogen 3.015 N/A GLY 162.A N GLU 159.A O no hydrogen 2.558 N/A ALA 164.A N LYS 236.A O no hydrogen 2.995 N/A LEU 165.A N THR 157.A O no hydrogen 2.771 N/A ILE 166.A N GLN 238.A O no hydrogen 2.851 N/A HIS 167.A N THR 155.A O no hydrogen 2.708 N/A HIS 167.A ND1 GLU 240.A OE1 no hydrogen 2.897 N/A HIS 167.A NE2 THR 157.A OG1 no hydrogen 3.028 N/A VAL 168.A N GLU 240.A O no hydrogen 2.809 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.826 N/A GLU 173.A N ALA 170.A O no hydrogen 2.558 N/A ILE 174.A N SER 171.A O no hydrogen 3.063 N/A ASN 177.A N ASN 151.A O no hydrogen 2.829 N/A ASN 177.A ND2 ASN 151.A OD1 no hydrogen 3.264 N/A SER 179.A N ASN 177.A OD1 no hydrogen 3.076 N/A LYS 180.A N ASN 177.A O no hydrogen 2.904 N/A LYS 180.A NZ LEU 106.A O no hydrogen 2.710 N/A LYS 180.A NZ ARG 108.A O no hydrogen 2.729 N/A LYS 180.A NZ VAL 111.A O no hydrogen 2.757 N/A ILE 181.A N ASN 177.A O no hydrogen 2.951 N/A MET 182.A N TYR 113.A O no hydrogen 2.993 N/A ARG 184.A NH1 LEU 183.A O no hydrogen 2.975 N/A SER 185.A OG ASP 120.A OD2 no hydrogen 3.457 N/A GLU 189.A N MET 186.A O no hydrogen 2.944 N/A LEU 190.A N GLU 187.A O no hydrogen 2.936 N/A SER 191.A N GLU 187.A O no hydrogen 3.010 N/A SER 191.A OG VAL 188.A O no hydrogen 3.555 N/A SER 192.A N VAL 188.A O no hydrogen 3.013 N/A SER 192.A OG VAL 188.A O no hydrogen 3.063 N/A ALA 193.A N GLU 189.A O no hydrogen 3.080 N/A LEU 194.A N LEU 190.A O no hydrogen 2.916 N/A GLU 195.A N SER 191.A O no hydrogen 2.971 N/A THR 196.A N SER 192.A O no hydrogen 3.094 N/A THR 196.A OG1 SER 192.A O no hydrogen 3.509 N/A THR 196.A OG1 ALA 193.A O no hydrogen 3.464 N/A GLY 197.A N LEU 194.A O no hydrogen 3.060 N/A ILE 199.A N ALA 193.A O no hydrogen 3.231 N/A ASP 200.A N ARG 112.A O no hydrogen 2.855 N/A TYR 201.A N ARG 112.A O no hydrogen 3.361 N/A TYR 201.A OH LYS 92.A O no hydrogen 2.631 N/A LEU 202.A N ALA 86.A O no hydrogen 2.924 N/A TYR 203.A N GLY 114.A O no hydrogen 3.077 N/A TYR 203.A OH THR 131.A OG1 no hydrogen 2.925 N/A ILE 204.A N ILE 84.A O no hydrogen 3.389 N/A ARG 206.A N GLN 82.A O no hydrogen 2.984 N/A ARG 206.A NE GLU 210.A OE2 no hydrogen 2.819 N/A ARG 206.A NH1 GLN 82.A OE1 no hydrogen 3.056 N/A ARG 206.A NH2 GLU 210.A OE2 no hydrogen 3.511 N/A SER 207.A OG ASN 81.A OD1 no hydrogen 3.453 N/A ALA 209.A N TYR 205.A O no hydrogen 3.121 N/A GLU 210.A N ARG 206.A O no hydrogen 2.854 N/A GLN 211.A N SER 207.A O no hydrogen 3.027 N/A HIS 212.A N VAL 208.A O no hydrogen 3.100 N/A HIS 212.A ND1 VAL 208.A O no hydrogen 3.020 N/A GLY 213.A N GLU 210.A O no hydrogen 3.146 N/A PHE 214.A N ALA 209.A O no hydrogen 2.940 N/A GLU 215.A N TYR 87.A O no hydrogen 2.939 N/A TYR 216.A OH GLU 210.A OE2 no hydrogen 2.720 N/A VAL 217.A N LEU 85.A O no hydrogen 2.808 N/A ILE 223.A N PRO 220.A O no hydrogen 2.956 N/A SER 226.A N ASP 224.A OD1 no hydrogen 3.058 N/A SER 226.A OG ASP 224.A OD1 no hydrogen 2.636 N/A SER 226.A OG ASP 224.A OD2 no hydrogen 3.449 N/A SER 227.A N TYR 234.A OH no hydrogen 2.984 N/A SER 227.A OG GLU 229.A OE1.A no hydrogen 3.057 N/A TYR 230.A N SER 227.A O no hydrogen 2.985 N/A ALA 231.A N LEU 228.A O no hydrogen 3.171 N/A ASN 233.A ND2.A ALA 222.A O no hydrogen 2.654 N/A TYR 234.A N TYR 230.A O no hydrogen 3.038 N/A TYR 234.A OH PRO 221.A O no hydrogen 2.468 N/A SER 235.A N ALA 231.A O no hydrogen 3.157 N/A SER 235.A OG ALA 231.A O no hydrogen 3.544 N/A SER 235.A OG ASP 232.A O no hydrogen 3.234 N/A LYS 236.A N ASN 233.A O no hydrogen 3.085 N/A VAL 237.A N TYR 234.A O no hydrogen 3.472 N/A GLN 238.A N ALA 164.A O no hydrogen 2.828 N/A GLN 238.A NE2 GLU 159.A OE1 no hydrogen 2.582 N/A VAL 239.A N VAL 247.A O no hydrogen 2.829 N/A GLU 240.A N ILE 166.A O no hydrogen 2.699 N/A MET 241.A N GLU 245.A O no hydrogen 3.019 N/A VAL 242.A N ASN 119.A OD1 no hydrogen 3.071 N/A GLY 244.A N MET 241.A O no hydrogen 3.048 N/A VAL 247.A N VAL 239.A O no hydrogen 2.930 N/A THR 248.A OG1 GLN 238.A OE1 no hydrogen 3.033 N/A GLY 249.A N VAL 237.A O no hydrogen 2.970 N/A ILE 252.A N LEU 225.A O no hydrogen 2.788 N/A TYR 254.A N ALA 79.A O no hydrogen 2.796 N/A TYR 254.A OH SER 10.A OG no hydrogen 2.967 N/A GLY 255.A N SER 57.A O no hydrogen 2.970 N/A VAL 256.A N ALA 76.A O no hydrogen 2.938 N/A THR 257.A N LEU 55.A O no hydrogen 2.958 N/A THR 257.A OG1 TRP 74.A O no hydrogen 2.701 N/A ASN 260.A N TYR 71.A O no hydrogen 2.754 N/A ASN 260.A ND2 GLU 70.A O no hydrogen 3.274 N/A ASN 260.A ND2 ASP 73.A OD1 no hydrogen 3.395 N/A ALA 262.A N PRO 259.A O no hydrogen 3.157 N/A ASN 264.A N ASP 53.A OD1 no hydrogen 2.734 N/A GLU 266.A N GLU 266.A OE1 no hydrogen 2.922 N/A LEU 267.A N ASN 264.A OD1 no hydrogen 3.234 N/A ALA 268.A N ASN 264.A O no hydrogen 2.977 N/A THR 269.A N SER 265.A O no hydrogen 2.865 N/A THR 269.A OG1 SER 265.A O no hydrogen 3.087 N/A GLU 270.A N GLU 266.A O no hydrogen 3.374 N/A PHE 271.A N LEU 267.A O no hydrogen 3.089 N/A VAL 272.A N ALA 268.A O no hydrogen 2.833 N/A ALA 273.A N THR 269.A O no hydrogen 2.824 N/A LEU 274.A N GLU 270.A O no hydrogen 3.078 N/A LEU 275.A N PHE 271.A O no hydrogen 2.955 N/A LEU 276.A N VAL 272.A O no hydrogen 2.852 N/A GLY 277.A N ALA 273.A O no hydrogen 2.857 N/A GLY 280.A N LEU 274.A O no hydrogen 3.096 N/A GLN 281.A N GLY 277.A O no hydrogen 2.941 N/A GLN 281.A NE2 LEU 276.A O no hydrogen 2.801 N/A GLN 282.A N GLU 278.A O no hydrogen 3.095 N/A ILE 283.A N THR 279.A O no hydrogen 3.166 N/A PHE 284.A N GLY 280.A O no hydrogen 2.926 N/A ILE 285.A N GLN 281.A O no hydrogen 2.995 N/A GLU 286.A N GLN 282.A O no hydrogen 2.875 N/A ASN 287.A N ILE 283.A O no hydrogen 3.191 N/A ASN 287.A N PHE 284.A O no hydrogen 3.127 N/A ASN 287.A ND2.A GLN 289.A OE1 no hydrogen 2.726 N/A ASN 287.A ND2.B GLU 17.A OE2 no hydrogen 2.996 N/A ASN 287.A ND2.B ILE 283.A O no hydrogen 2.921 N/A GLY 288.A N ILE 285.A O no hydrogen 3.056 N/A GLN 289.A N PHE 284.A O no hydrogen 3.045 N/A GLN 289.A NE2 SER 10.A O no hydrogen 3.154 N/A ILE 292.A N PHE 78.A O no hydrogen 2.835 N/A ILE 296.A N ALA 77.A O no hydrogen 3.129 N/A GLU 298.A N TYR 75.A O no hydrogen 2.930 N/A LYS 300.A NZ VAL 311.A O no hydrogen 3.524 N/A LYS 300.A NZ VAL 312.A O no hydrogen 3.102 N/A SER 302.A N GLY 299.A O no hydrogen 2.890 N/A MET 303.A N LYS 300.A O no hydrogen 2.952 N/A LEU 307.A N PRO 304.A O no hydrogen 2.989 N/A GLN 308.A N PRO 304.A O no hydrogen 3.081 N/A GLN 308.A NE2 MET 303.A O no hydrogen 2.955 N/A ALA 309.A N GLU 305.A O no hydrogen 3.318 N/A LEU 310.A N LEU 307.A O no hydrogen 2.888 N/A VAL 311.A N GLN 308.A O no hydrogen 3.399 N/A VAL 312.A N ALA 295.A O no hydrogen 2.833 N/A