Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mfu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ASP 6.A OD2 no hydrogen 3.002 N/A ASP 6.A N LEU 3.A O no hydrogen 2.836 N/A VAL 7.A N PHE 4.A O no hydrogen 3.237 N/A TYR 8.A N PHE 4.A O no hydrogen 3.049 N/A TYR 8.A OH GLU 75.A OE2 no hydrogen 2.663 N/A GLU 9.A N ILE 26.A O no hydrogen 2.758 N/A CYS 11.A N ARG 24.A O no hydrogen 2.744 N/A CYS 11.A SG GLU 9.A O no hydrogen 3.841 N/A ILE 14.A N VAL 22.A O no hydrogen 2.713 N/A GLY 15.A N VAL 22.A O no hydrogen 3.265 N/A VAL 21.A N ILE 38.A O no hydrogen 2.954 N/A VAL 22.A N GLY 15.A O no hydrogen 2.840 N/A ARG 23.A N VAL 36.A O no hydrogen 2.916 N/A ARG 23.A NE CYS 11.A O no hydrogen 2.832 N/A ARG 23.A NH1 CYS 11.A O no hydrogen 2.904 N/A ARG 24.A N GLU 12.A O no hydrogen 2.996 N/A ARG 24.A NE GLU 12.A OE1 no hydrogen 3.432 N/A ARG 24.A NE GLU 12.A OE2 no hydrogen 2.850 N/A ARG 24.A NH1 GLU 12.A OE2 no hydrogen 2.689 N/A CYS 25.A N PHE 34.A O no hydrogen 2.910 N/A CYS 25.A SG PHE 34.A O no hydrogen 3.805 N/A ILE 26.A N GLU 9.A O no hydrogen 2.801 N/A ASN 27.A N GLN 32.A O no hydrogen 2.771 N/A ARG 28.A N VAL 7.A O no hydrogen 2.949 N/A ARG 28.A NE GLU 5.A O no hydrogen 2.793 N/A ARG 28.A NH1 GLU 5.A O no hydrogen 2.923 N/A ARG 28.A NH1 TYR 8.A O no hydrogen 3.297 N/A THR 30.A N ASN 27.A OD1 no hydrogen 3.012 N/A GLY 31.A N ASN 27.A O no hydrogen 2.781 N/A GLN 32.A N THR 30.A OG1 no hydrogen 3.086 N/A PHE 34.A N CYS 25.A O no hydrogen 2.843 N/A ALA 35.A N PHE 87.A O no hydrogen 2.880 N/A VAL 36.A N ARG 23.A O no hydrogen 2.780 N/A LYS 37.A N MET 85.A O no hydrogen 2.699 N/A LYS 37.A NZ GLU 58.A OE2 no hydrogen 3.206 N/A ILE 38.A N VAL 21.A O no hydrogen 2.782 N/A VAL 39.A N LEU 83.A O no hydrogen 2.829 N/A ASP 40.A N PHE 19.A O no hydrogen 3.109 N/A VAL 41.A N GLY 81.A O no hydrogen 3.117 N/A LYS 43.A N ASP 40.A OD2 no hydrogen 3.366 N/A PHE 44.A N ASP 40.A O no hydrogen 2.985 N/A THR 45.A N VAL 41.A O no hydrogen 2.974 N/A THR 45.A OG1 VAL 41.A O no hydrogen 2.674 N/A SER 46.A N ALA 42.A O no hydrogen 3.062 N/A SER 46.A OG ALA 42.A O no hydrogen 2.905 N/A SER 47.A OG SER 46.A O no hydrogen 2.636 N/A ASP 54.A N SER 51.A O no hydrogen 3.383 N/A LYS 56.A N THR 52.A O no hydrogen 2.988 N/A ARG 57.A N GLU 53.A O no hydrogen 2.934 N/A GLU 58.A N ASP 54.A O no hydrogen 3.275 N/A ALA 59.A N LEU 55.A O no hydrogen 3.009 N/A SER 60.A N LYS 56.A O no hydrogen 2.942 N/A ILE 61.A N ARG 57.A O no hydrogen 2.990 N/A CYS 62.A N GLU 58.A O no hydrogen 3.123 N/A CYS 62.A SG GLU 58.A O no hydrogen 3.108 N/A HIS 63.A N ALA 59.A O no hydrogen 3.070 N/A MET 64.A N ILE 61.A O no hydrogen 3.211 N/A LEU 65.A N ILE 61.A O no hydrogen 3.086 N/A LYS 66.A N TYR 127.A OH no hydrogen 3.073 N/A LYS 66.A NZ GLU 72.A OE1 no hydrogen 3.260 N/A HIS 69.A N HIS 67.A ND1 no hydrogen 2.964 N/A HIS 69.A ND1 VAL 154.A O no hydrogen 2.882 N/A ILE 70.A N HIS 67.A O no hydrogen 3.070 N/A VAL 71.A N LEU 156.A O no hydrogen 2.952 N/A GLU 72.A N GLU 88.A OE1 no hydrogen 2.933 N/A LEU 74.A N VAL 86.A O no hydrogen 2.637 N/A TYR 77.A N TYR 84.A O no hydrogen 2.847 N/A TYR 77.A OH GLU 75.A OE2 no hydrogen 2.540 N/A SER 79.A N MET 82.A O no hydrogen 3.202 N/A MET 82.A N SER 79.A O no hydrogen 3.335 N/A LEU 83.A N VAL 39.A O no hydrogen 2.889 N/A TYR 84.A N TYR 77.A O no hydrogen 2.861 N/A MET 85.A N LYS 37.A O no hydrogen 2.780 N/A VAL 86.A N GLU 75.A O no hydrogen 2.893 N/A PHE 87.A N ALA 35.A O no hydrogen 2.670 N/A GLU 88.A N GLU 72.A O no hydrogen 3.062 N/A ASP 91.A N ALA 146.A O no hydrogen 2.805 N/A ALA 93.A N GLU 98.A OE1 no hydrogen 2.754 N/A LEU 95.A N.A VAL 143.A O no hydrogen 2.859 N/A LEU 95.A N.B VAL 143.A O no hydrogen 2.897 N/A CYS 96.A N ASP 94.A OD2 no hydrogen 2.802 N/A PHE 97.A N ASP 94.A OD2 no hydrogen 3.238 N/A GLU 98.A N ASP 94.A O no hydrogen 3.146 N/A ILE 99.A N LEU 95.A O.A no hydrogen 2.918 N/A ILE 99.A N LEU 95.A O.B no hydrogen 3.008 N/A LYS 101.A N PHE 97.A O no hydrogen 3.308 N/A ARG 102.A N GLU 98.A O no hydrogen 2.878 N/A ARG 102.A NE VAL 108.A O no hydrogen 3.237 N/A ALA 103.A N ILE 99.A O no hydrogen 3.042 N/A ASP 104.A N VAL 100.A O no hydrogen 2.787 N/A ALA 105.A N LYS 101.A O no hydrogen 2.845 N/A GLY 106.A N ALA 103.A O no hydrogen 3.132 N/A PHE 107.A N ARG 102.A O no hydrogen 3.005 N/A TYR 109.A N HIS 283.A ND1 no hydrogen 2.900 N/A TYR 109.A OH LEU 208.A O no hydrogen 2.580 N/A ALA 112.A N SER 110.A OG no hydrogen 3.221 N/A ALA 112.A N TYR 280.A O no hydrogen 3.250 N/A ALA 114.A N SER 110.A O no hydrogen 3.025 N/A SER 115.A N GLU 111.A O no hydrogen 2.843 N/A SER 115.A OG TRP 271.A O no hydrogen 2.737 N/A HIS 116.A N ALA 112.A O no hydrogen 3.087 N/A TYR 117.A N VAL 113.A O no hydrogen 3.167 N/A MET 118.A N ALA 114.A O no hydrogen 2.981 N/A ARG 119.A N SER 115.A O no hydrogen 2.900 N/A GLN 120.A N HIS 116.A O no hydrogen 3.371 N/A GLN 120.A NE2 HIS 116.A O no hydrogen 2.931 N/A ILE 121.A N TYR 117.A O no hydrogen 3.246 N/A LEU 122.A N MET 118.A O no hydrogen 3.024 N/A GLU 123.A N ARG 119.A O no hydrogen 2.779 N/A ALA 124.A N GLN 120.A O no hydrogen 3.200 N/A LEU 125.A N ILE 121.A O no hydrogen 3.011 N/A ARG 126.A N LEU 122.A O no hydrogen 2.765 N/A TYR 127.A N GLU 123.A O no hydrogen 3.279 N/A TYR 127.A OH MET 64.A O no hydrogen 3.330 N/A CYS 128.A N ALA 124.A O no hydrogen 2.966 N/A CYS 128.A SG ALA 124.A O no hydrogen 3.434 N/A HIS 129.A N LEU 125.A O no hydrogen 2.760 N/A HIS 129.A NE2 ASP 197.A OD2 no hydrogen 2.886 N/A ASP 130.A N ARG 126.A O no hydrogen 2.852 N/A ASN 131.A N TYR 127.A O no hydrogen 3.296 N/A ASN 131.A N CYS 128.A O no hydrogen 3.016 N/A ASN 131.A ND2 TYR 127.A O no hydrogen 2.782 N/A ASN 132.A N HIS 129.A O no hydrogen 2.943 N/A ILE 133.A N CYS 128.A O no hydrogen 2.925 N/A ILE 134.A N ILE 163.A O no hydrogen 2.823 N/A HIS 135.A N ASP 197.A OD2 no hydrogen 2.883 N/A HIS 135.A NE2 GLY 157.A O no hydrogen 2.815 N/A ARG 136.A N ASP 197.A OD1 no hydrogen 2.840 N/A ARG 136.A NE VAL 161.A O no hydrogen 2.750 N/A ARG 136.A NH1 VAL 161.A O no hydrogen 2.741 N/A ARG 136.A NH2 TYR 192.A OH no hydrogen 2.882 N/A ASP 137.A N HIS 135.A ND1 no hydrogen 3.059 N/A LYS 139.A NZ THR 178.A OG1 no hydrogen 2.462 N/A GLU 141.A N GLU 141.A OE1 no hydrogen 2.997 N/A ASN 142.A N LYS 139.A O no hydrogen 3.124 N/A ASN 142.A ND2 ASP 137.A O no hydrogen 2.624 N/A ASN 142.A ND2 ASP 137.A OD2 no hydrogen 3.321 N/A VAL 143.A N PRO 140.A O no hydrogen 3.019 N/A LEU 144.A N LYS 155.A O no hydrogen 3.151 N/A LEU 145.A N ALA 93.A O no hydrogen 3.304 N/A ALA 146.A N PRO 153.A O no hydrogen 2.953 N/A LYS 148.A NZ ASP 91.A O no hydrogen 3.495 N/A ALA 152.A N GLU 149.A O no hydrogen 3.317 N/A VAL 154.A N GLN 120.A OE1 no hydrogen 2.935 N/A LYS 155.A N LEU 144.A O no hydrogen 2.927 N/A LYS 155.A NZ GLU 88.A OE1 no hydrogen 3.202 N/A LYS 155.A NZ GLU 88.A OE2 no hydrogen 2.703 N/A LEU 156.A N HIS 69.A O no hydrogen 2.858 N/A GLY 157.A N ASN 142.A O no hydrogen 2.822 N/A ALA 162.A N PHE 159.A O no hydrogen 3.336 N/A ILE 163.A N ILE 134.A O no hydrogen 2.831 N/A GLN 164.A NE2 ASN 131.A O no hydrogen 3.284 N/A LEU 165.A N ASN 132.A O no hydrogen 2.896 N/A GLY 169.A N GLY 166.A O no hydrogen 2.998 N/A LEU 170.A N SER 168.A OG no hydrogen 2.931 N/A VAL 171.A N TYR 192.A O no hydrogen 2.910 N/A ARG 175.A NE VAL 187.A O no hydrogen 2.892 N/A ARG 175.A NH1 VAL 187.A O no hydrogen 3.032 N/A THR 178.A OG1 ASP 137.A OD1 no hydrogen 2.784 N/A HIS 180.A ND1 PHE 215.A O no hydrogen 3.311 N/A PHE 181.A N THR 178.A O no hydrogen 2.874 N/A MET 182.A N PRO 179.A O no hydrogen 3.390 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.861 N/A VAL 186.A N ALA 183.A O no hydrogen 2.993 N/A VAL 187.A N ALA 183.A O no hydrogen 3.018 N/A LYS 188.A N PRO 184.A O no hydrogen 2.896 N/A ARG 189.A N VAL 186.A O no hydrogen 3.146 N/A GLU 190.A N GLU 185.A O no hydrogen 2.977 N/A TYR 192.A N VAL 171.A O no hydrogen 3.092 N/A LYS 194.A NZ HIS 129.A O no hydrogen 3.113 N/A LYS 194.A NZ ASN 132.A OD1 no hydrogen 2.983 N/A VAL 196.A N GLY 193.A O no hydrogen 3.163 N/A ASP 197.A N LYS 194.A O no hydrogen 3.112 N/A TRP 199.A N PRO 195.A O no hydrogen 3.046 N/A GLY 200.A N VAL 196.A O no hydrogen 3.045 N/A CYS 201.A N ASP 197.A O no hydrogen 3.025 N/A CYS 201.A SG ASP 197.A O no hydrogen 3.375 N/A GLY 202.A N VAL 198.A O no hydrogen 2.820 N/A VAL 203.A N TRP 199.A O no hydrogen 3.006 N/A ILE 204.A N GLY 200.A O no hydrogen 3.124 N/A LEU 205.A N CYS 201.A O no hydrogen 2.819 N/A PHE 206.A N GLY 202.A O no hydrogen 3.075 N/A ILE 207.A N VAL 203.A O no hydrogen 3.094 N/A LEU 208.A N ILE 204.A O no hydrogen 2.770 N/A LEU 209.A N LEU 205.A O no hydrogen 2.871 N/A SER 210.A N PHE 206.A O no hydrogen 3.038 N/A SER 210.A OG PHE 206.A O no hydrogen 2.985 N/A GLY 211.A N ILE 207.A O no hydrogen 2.699 N/A CYS 212.A N SER 210.A OG no hydrogen 3.112 N/A CYS 212.A SG SER 210.A O no hydrogen 3.881 N/A LEU 222.A N THR 218.A O no hydrogen 2.845 N/A PHE 223.A N LYS 219.A O no hydrogen 3.101 N/A GLU 224.A N GLU 220.A O no hydrogen 2.774 N/A GLY 225.A N ARG 221.A O no hydrogen 3.048 N/A ILE 226.A N LEU 222.A O no hydrogen 3.031 N/A ILE 227.A N PHE 223.A O no hydrogen 3.133 N/A LYS 228.A N GLU 224.A O no hydrogen 2.959 N/A GLY 229.A N GLY 225.A O no hydrogen 2.835 N/A ARG 236.A NE GLU 286.A OE2 no hydrogen 3.355 N/A GLN 237.A N ASN 234.A O no hydrogen 3.186 N/A GLN 237.A NE2 ASN 234.A OD1 no hydrogen 3.652 N/A TRP 238.A N ASN 234.A O no hydrogen 2.982 N/A SER 239.A N PRO 235.A O no hydrogen 3.037 N/A SER 239.A OG PRO 235.A O no hydrogen 2.633 N/A HIS 240.A N GLN 237.A O no hydrogen 3.434 N/A ILE 241.A N TRP 238.A O no hydrogen 3.168 N/A SER 242.A N GLU 111.A OE1 no hydrogen 2.673 N/A SER 242.A OG GLU 111.A OE1 no hydrogen 3.441 N/A SER 242.A OG GLU 111.A OE2 no hydrogen 2.729 N/A ALA 245.A N SER 242.A OG no hydrogen 3.193 N/A LYS 246.A N SER 242.A O no hydrogen 3.197 N/A LYS 246.A NZ TRP 238.A O no hydrogen 3.090 N/A LYS 246.A NZ ILE 241.A O no hydrogen 3.485 N/A ASP 247.A N GLU 243.A O no hydrogen 2.644 N/A LEU 248.A N SER 244.A O no hydrogen 3.124 N/A VAL 249.A N ALA 245.A O no hydrogen 3.014 N/A ARG 250.A N LYS 246.A O no hydrogen 3.047 N/A ARG 251.A N ASP 247.A O no hydrogen 3.078 N/A ARG 251.A NE ASP 247.A OD1 no hydrogen 2.765 N/A ARG 251.A NE ASP 247.A OD2 no hydrogen 3.337 N/A ARG 251.A NH2 ASP 247.A OD2 no hydrogen 3.494 N/A MET 252.A N LEU 248.A O no hydrogen 2.949 N/A LEU 253.A N VAL 249.A O no hydrogen 2.959 N/A ALA 258.A N ASP 256.A OD1 no hydrogen 3.002 N/A GLU 259.A N ASP 256.A O no hydrogen 2.828 N/A ARG 260.A N ASP 256.A O no hydrogen 2.987 N/A ARG 260.A NE MET 254.A O no hydrogen 2.820 N/A ARG 260.A NH1 GLU 185.A OE1 no hydrogen 3.522 N/A ARG 260.A NH1 GLU 185.A OE2 no hydrogen 2.804 N/A ARG 260.A NH1 PRO 195.A O no hydrogen 2.790 N/A ARG 260.A NH2 GLU 185.A OE1 no hydrogen 2.943 N/A ARG 260.A NH2 MET 254.A O no hydrogen 2.895 N/A ARG 260.A NH2 LEU 255.A O no hydrogen 3.239 N/A ILE 261.A N ARG 251.A O no hydrogen 3.184 N/A THR 262.A N GLU 265.A OE2 no hydrogen 3.120 N/A TYR 264.A OH ASP 130.A OD2 no hydrogen 2.499 N/A GLU 265.A N THR 262.A OG1 no hydrogen 3.078 N/A ALA 266.A N THR 262.A O no hydrogen 2.891 N/A LEU 267.A N VAL 263.A O no hydrogen 3.059 N/A ASN 268.A N GLU 265.A O no hydrogen 2.942 N/A HIS 269.A N ALA 266.A O no hydrogen 2.854 N/A HIS 269.A NE2 ASP 247.A OD1 no hydrogen 2.920 N/A TRP 271.A N HIS 269.A ND1 no hydrogen 3.192 N/A TRP 271.A NE1 GLU 111.A OE2 no hydrogen 2.980 N/A LEU 272.A N HIS 269.A O no hydrogen 2.887 N/A LYS 273.A N HIS 269.A O no hydrogen 2.761 N/A GLU 274.A N PRO 270.A O no hydrogen 2.780 N/A TYR 278.A N GLU 274.A O no hydrogen 3.029 N/A ALA 279.A N ARG 275.A O no hydrogen 3.173 N/A TYR 280.A N GLU 111.A OE2 no hydrogen 3.124 N/A LEU 284.A N TYR 109.A O no hydrogen 2.847 N/A THR 287.A OG1 LEU 209.A O no hydrogen 2.811 N/A VAL 288.A N LEU 284.A O no hydrogen 3.020 N/A GLU 289.A N PRO 285.A O no hydrogen 2.949 N/A GLN 290.A N GLU 286.A O no hydrogen 2.994 N/A LEU 291.A N THR 287.A O no hydrogen 2.841 N/A ARG 292.A N VAL 288.A O no hydrogen 2.939 N/A ARG 292.A NE GLU 289.A OE1 no hydrogen 3.186 N/A ARG 292.A NH1 ASP 104.A OD2 no hydrogen 2.729 N/A ARG 292.A NH1 GLU 289.A OE2 no hydrogen 3.354 N/A ARG 292.A NH2 ASP 104.A OD1 no hydrogen 2.815 N/A ARG 292.A NH2 ASP 104.A OD2 no hydrogen 3.449 N/A LYS 293.A N GLU 289.A O no hydrogen 3.308 N/A PHE 294.A N GLN 290.A O no hydrogen 2.778 N/A ASN 295.A N LEU 291.A O no hydrogen 2.786 N/A ASN 295.A ND2 CYS 96.A O no hydrogen 2.967 N/A ALA 296.A N ARG 292.A O no hydrogen 2.977 N/A ARG 297.A N LYS 293.A O no hydrogen 3.007 N/A ARG 298.A N PHE 294.A O no hydrogen 3.203 N/A ARG 298.A NE ASN 295.A OD1 no hydrogen 3.338 N/A ARG 298.A NH1 ASP 94.A OD1 no hydrogen 2.605 N/A ARG 298.A NH1 GLU 141.A OE2 no hydrogen 2.622 N/A ARG 298.A NH2 ASP 94.A OD1 no hydrogen 3.230 N/A ARG 298.A NH2 ASP 94.A OD2 no hydrogen 3.198 N/A ARG 298.A NH2 ASN 295.A OD1 no hydrogen 2.750 N/A LYS 299.A N ASN 295.A O no hydrogen 2.969 N/A LEU 300.A N ALA 296.A O no hydrogen 3.049 N/A LYS 301.A N ARG 297.A O no hydrogen 3.010 N/A