Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u39_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N GLU 95.A OE2 no hydrogen 2.767 N/A ARG 3.A N GLU 95.A OE2 no hydrogen 2.958 N/A ARG 3.A NH1 HIS 92.A O no hydrogen 2.902 N/A ARG 3.A NH1 GLY 93.A O no hydrogen 3.432 N/A ARG 3.A NH2 GLU 33.A OE1 no hydrogen 2.721 N/A ILE 4.A N GLU 33.A O no hydrogen 3.015 N/A GLY 5.A N GLY 96.A O no hydrogen 2.699 N/A VAL 6.A N TYR 35.A O no hydrogen 3.003 N/A LEU 7.A N VAL 98.A O no hydrogen 3.115 N/A THR 8.A OG1 THR 66.A OG1 no hydrogen 2.934 N/A THR 8.A OG1 TYR 69.A O no hydrogen 2.679 N/A SER 9.A N ILE 100.A O no hydrogen 3.099 N/A SER 13.A OG ILE 137.A O no hydrogen 2.500 N/A MET 16.A N SER 13.A O no hydrogen 3.076 N/A ASN 17.A ND2 ARG 63.A O no hydrogen 3.072 N/A ALA 19.A N GLY 15.A O no hydrogen 2.892 N/A ILE 20.A N MET 16.A O no hydrogen 2.767 N/A ARG 21.A N ASN 17.A O no hydrogen 2.737 N/A SER 22.A N ALA 18.A O no hydrogen 2.962 N/A SER 22.A OG SER 265.A O no hydrogen 2.571 N/A VAL 23.A N ALA 19.A O no hydrogen 2.727 N/A VAL 24.A N ILE 20.A O no hydrogen 2.906 N/A ARG 25.A N ARG 21.A O no hydrogen 2.798 N/A LYS 26.A N SER 22.A O no hydrogen 2.937 N/A LYS 26.A NZ HIS 30.A NE2 no hydrogen 3.053 N/A LYS 26.A NZ GLU 273.A OE2 no hydrogen 3.264 N/A ALA 27.A N VAL 23.A O no hydrogen 3.223 N/A ILE 28.A N VAL 24.A O no hydrogen 3.033 N/A TYR 29.A N ARG 25.A O no hydrogen 3.244 N/A HIS 30.A N ALA 27.A O no hydrogen 2.966 N/A GLY 31.A N ILE 28.A O no hydrogen 2.812 N/A VAL 32.A N ALA 27.A O no hydrogen 2.919 N/A GLU 33.A N LYS 2.A O no hydrogen 2.674 N/A TYR 35.A N ILE 4.A O no hydrogen 2.908 N/A GLY 36.A N LYS 50.A O no hydrogen 2.824 N/A VAL 37.A N VAL 6.A O no hydrogen 2.949 N/A TYR 38.A N ASN 48.A O no hydrogen 2.945 N/A HIS 39.A N LEU 68.A O no hydrogen 2.809 N/A TYR 41.A OH SER 105.A O no hydrogen 2.835 N/A GLY 43.A N HIS 39.A O no hydrogen 2.951 N/A LEU 44.A N GLY 40.A O no hydrogen 3.061 N/A ILE 45.A N TYR 41.A O no hydrogen 2.813 N/A ALA 46.A N ALA 42.A O no hydrogen 2.998 N/A GLY 47.A N GLY 43.A O no hydrogen 2.715 N/A ASN 48.A N GLY 43.A O no hydrogen 3.186 N/A LYS 50.A N GLY 36.A O no hydrogen 3.069 N/A LYS 51.A NZ GLU 53.A OE1 no hydrogen 2.880 N/A LYS 51.A NZ GLU 53.A OE2 no hydrogen 3.334 N/A LEU 52.A N VAL 34.A O no hydrogen 2.823 N/A GLU 53.A N ASP 56.A OD2 no hydrogen 3.031 N/A ASP 56.A N GLU 53.A O no hydrogen 2.973 N/A VAL 57.A N VAL 54.A O no hydrogen 3.279 N/A ARG 63.A N ILE 60.A O no hydrogen 2.901 N/A THR 66.A OG1 THR 8.A OG1 no hydrogen 2.934 N/A THR 66.A OG1 TYR 69.A O no hydrogen 3.504 N/A ILE 67.A N ASN 17.A OD1 no hydrogen 2.813 N/A LEU 68.A N THR 66.A OG1 no hydrogen 2.972 N/A TYR 69.A N THR 66.A O no hydrogen 2.963 N/A THR 70.A OG1 GLY 10.A O no hydrogen 2.658 N/A PHE 76.A N CYS 73.A O no hydrogen 3.079 N/A LYS 77.A N PRO 74.A O no hydrogen 3.003 N/A THR 78.A N GLU 75.A O no hydrogen 3.264 N/A THR 78.A OG1 GLU 75.A O no hydrogen 2.946 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.299 N/A GLY 81.A N THR 78.A O no hydrogen 2.827 N/A LYS 83.A N GLU 79.A O no hydrogen 3.137 N/A LYS 84.A N GLU 80.A O no hydrogen 3.198 N/A GLY 85.A N GLY 81.A O no hydrogen 2.783 N/A ILE 86.A N GLN 82.A O no hydrogen 2.808 N/A GLU 87.A N LYS 83.A O no hydrogen 2.927 N/A GLN 88.A N LYS 84.A O no hydrogen 3.159 N/A LEU 89.A N GLY 85.A O no hydrogen 3.032 N/A LYS 90.A N ILE 86.A O no hydrogen 2.719 N/A LYS 91.A N GLU 87.A O no hydrogen 2.685 N/A HIS 92.A N GLN 88.A O no hydrogen 3.191 N/A HIS 92.A N LEU 89.A O no hydrogen 2.977 N/A GLY 93.A N LYS 90.A O no hydrogen 2.778 N/A ILE 94.A N LEU 89.A O no hydrogen 3.179 N/A GLU 95.A N ARG 3.A O no hydrogen 2.969 N/A LEU 97.A N PRO 118.A O no hydrogen 3.111 N/A VAL 98.A N GLY 5.A O no hydrogen 2.889 N/A VAL 99.A N VAL 120.A O no hydrogen 2.745 N/A ILE 100.A N LEU 7.A O no hydrogen 2.920 N/A GLY 101.A N VAL 122.A O no hydrogen 2.780 N/A SER 105.A OG GLY 102.A O no hydrogen 2.686 N/A LYS 110.A N TYR 106.A O no hydrogen 2.879 N/A LYS 111.A N GLN 107.A O no hydrogen 3.012 N/A LYS 111.A NZ GLU 114.A OE1 no hydrogen 3.304 N/A LEU 112.A N GLY 108.A O no hydrogen 2.846 N/A THR 113.A N ALA 109.A O no hydrogen 3.108 N/A THR 113.A OG1 ALA 109.A O no hydrogen 2.949 N/A GLU 114.A N LYS 110.A O no hydrogen 3.050 N/A HIS 115.A N LYS 111.A O no hydrogen 3.062 N/A HIS 115.A ND1 LYS 111.A O no hydrogen 3.094 N/A HIS 115.A NE2 GLU 79.A OE2 no hydrogen 2.727 N/A GLY 116.A N THR 113.A O no hydrogen 2.595 N/A PHE 117.A N LEU 112.A O no hydrogen 2.984 N/A CYS 119.A SG LEU 97.A O no hydrogen 3.707 N/A VAL 120.A N LEU 97.A O no hydrogen 2.911 N/A GLY 121.A N ARG 282.A O no hydrogen 2.960 N/A VAL 122.A N VAL 99.A O no hydrogen 2.754 N/A THR 125.A N ILE 137.A O no hydrogen 2.947 N/A THR 125.A OG1 ASP 127.A OD1 no hydrogen 2.810 N/A ASN 128.A ND2 ASP 134.A O no hydrogen 3.187 N/A ASN 128.A ND2 ASP 175.A OD2 no hydrogen 2.881 N/A ASP 129.A N ASP 127.A OD1 no hydrogen 3.409 N/A THR 133.A OG1 PHE 135.A O no hydrogen 2.596 N/A THR 133.A OG1 ILE 286.A O no hydrogen 3.293 N/A ASP 134.A N ILE 286.A O no hydrogen 2.622 N/A THR 136.A N ASN 128.A OD1 no hydrogen 2.763 N/A THR 136.A OG1 THR 125.A O no hydrogen 2.703 N/A THR 136.A OG1 ASN 128.A OD1 no hydrogen 3.320 N/A ILE 137.A N PRO 123.A O no hydrogen 2.759 N/A GLY 138.A N ASP 260.A OD1 no hydrogen 2.598 N/A PHE 139.A N THR 136.A O no hydrogen 3.337 N/A THR 141.A N ASP 260.A OD2 no hydrogen 2.931 N/A THR 141.A OG1 ASP 260.A OD2 no hydrogen 2.874 N/A ALA 142.A N GLY 138.A O no hydrogen 3.008 N/A LEU 143.A N PHE 139.A O no hydrogen 2.947 N/A ASN 144.A N ASP 140.A O no hydrogen 3.166 N/A THR 145.A N THR 141.A O no hydrogen 3.002 N/A THR 145.A OG1 THR 141.A O no hydrogen 3.071 N/A VAL 146.A N ALA 142.A O no hydrogen 2.837 N/A ILE 147.A N LEU 143.A O no hydrogen 2.883 N/A ASP 148.A N ASN 144.A O no hydrogen 3.059 N/A ALA 149.A N THR 145.A O no hydrogen 3.077 N/A ILE 150.A N VAL 146.A O no hydrogen 2.647 N/A ASP 151.A N ILE 147.A O no hydrogen 2.644 N/A LYS 152.A N ASP 148.A O no hydrogen 3.038 N/A ILE 153.A N ALA 149.A O no hydrogen 2.950 N/A ARG 154.A N ILE 150.A O no hydrogen 2.916 N/A ARG 154.A NH2 GLY 184.A O no hydrogen 2.967 N/A ASP 155.A N ASP 151.A O no hydrogen 3.147 N/A ASP 155.A N LYS 152.A O no hydrogen 2.927 N/A THR 156.A N LYS 152.A O no hydrogen 3.378 N/A ALA 157.A N ILE 153.A O no hydrogen 2.791 N/A THR 158.A N ARG 154.A O no hydrogen 2.991 N/A THR 158.A OG1 ARG 154.A O no hydrogen 2.832 N/A SER 159.A OG ASP 155.A O no hydrogen 2.971 N/A HIS 160.A N THR 156.A O no hydrogen 3.237 N/A ARG 162.A N ALA 157.A O no hydrogen 3.042 N/A THR 163.A N GLU 241.A O no hydrogen 3.358 N/A TYR 164.A N SER 216.A O no hydrogen 2.943 N/A VAL 165.A N ARG 243.A O no hydrogen 2.907 N/A ILE 166.A N ILE 218.A O no hydrogen 2.891 N/A GLU 167.A N THR 245.A O no hydrogen 2.710 N/A VAL 168.A N VAL 220.A O no hydrogen 2.753 N/A MET 169.A N GLN 251.A OE1 no hydrogen 2.985 N/A GLY 174.A N GLU 193.A OE2 no hydrogen 2.939 N/A LEU 178.A N GLY 174.A O no hydrogen 2.738 N/A TRP 179.A N ASP 175.A O no hydrogen 2.754 N/A SER 180.A N ILE 176.A O no hydrogen 2.858 N/A SER 180.A OG ILE 176.A O no hydrogen 2.737 N/A GLY 181.A N ALA 177.A O no hydrogen 3.068 N/A LEU 182.A N LEU 178.A O no hydrogen 3.127 N/A ALA 183.A N TRP 179.A O no hydrogen 3.155 N/A GLY 184.A N SER 180.A O no hydrogen 2.607 N/A GLY 185.A N LEU 182.A O no hydrogen 3.334 N/A ALA 186.A N GLY 181.A O no hydrogen 3.006 N/A GLU 187.A N ILE 217.A O no hydrogen 3.262 N/A LEU 190.A N ILE 219.A O no hydrogen 3.031 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.845 N/A ASN 199.A N ASP 197.A OD1 no hydrogen 2.771 N/A ASP 200.A N ASP 197.A OD1 no hydrogen 3.011 N/A VAL 201.A N ASP 197.A O no hydrogen 3.036 N/A ILE 202.A N MET 198.A O no hydrogen 2.848 N/A ALA 203.A N ASN 199.A O no hydrogen 2.946 N/A ARG 204.A N ASP 200.A O no hydrogen 2.897 N/A LEU 205.A N VAL 201.A O no hydrogen 3.053 N/A LYS 206.A N ILE 202.A O no hydrogen 3.021 N/A ARG 207.A N ALA 203.A O no hydrogen 2.844 N/A GLY 208.A N ARG 204.A O no hydrogen 3.180 N/A HIS 209.A N LEU 205.A O no hydrogen 3.069 N/A GLU 210.A N LYS 206.A O no hydrogen 3.454 N/A ARG 211.A N ARG 207.A O no hydrogen 3.028 N/A GLY 212.A N GLY 208.A O no hydrogen 2.875 N/A LYS 213.A N GLY 208.A O no hydrogen 2.844 N/A ILE 218.A N TYR 164.A O no hydrogen 2.706 N/A ILE 219.A N THR 188.A O no hydrogen 2.710 N/A VAL 220.A N ILE 166.A O no hydrogen 2.965 N/A ALA 221.A N LEU 190.A O no hydrogen 3.247 N/A GLU 222.A N VAL 168.A O no hydrogen 2.968 N/A VAL 224.A N ALA 221.A O no hydrogen 2.895 N/A GLY 227.A N GLU 167.A OE1 no hydrogen 2.409 N/A ASP 229.A N GLY 227.A O no hydrogen 2.514 N/A PHE 230.A N SER 226.A O no hydrogen 3.191 N/A GLY 231.A N GLY 227.A O no hydrogen 3.074 N/A GLN 233.A N ASP 229.A O no hydrogen 2.925 N/A ILE 234.A N PHE 230.A O no hydrogen 2.974 N/A GLN 235.A N GLY 231.A O no hydrogen 3.147 N/A GLU 236.A N ARG 232.A O no hydrogen 2.743 N/A ALA 237.A N ILE 234.A O no hydrogen 3.266 N/A THR 238.A OG1 ILE 234.A O no hydrogen 2.808 N/A THR 242.A OG1 PHE 240.A O no hydrogen 2.999 N/A ARG 243.A N THR 163.A O no hydrogen 3.069 N/A THR 245.A N VAL 165.A O no hydrogen 2.756 N/A LEU 247.A N GLU 167.A O no hydrogen 3.239 N/A GLN 251.A N GLY 248.A O no hydrogen 3.038 N/A GLN 251.A NE2 GLY 248.A O no hydrogen 2.901 N/A ARG 252.A N HIS 249.A O no hydrogen 2.845 N/A ARG 252.A NE ASP 12.A O no hydrogen 3.123 N/A GLY 253.A N VAL 250.A O no hydrogen 3.300 N/A SER 255.A OG HIS 62.A O no hydrogen 2.769 N/A THR 257.A N THR 141.A OG1 no hydrogen 2.718 N/A THR 257.A OG1 ASP 140.A OD2 no hydrogen 2.587 N/A ARG 261.A N THR 257.A O no hydrogen 2.993 N/A ARG 261.A NE PRO 256.A O no hydrogen 2.838 N/A ARG 261.A NH2 SER 255.A OG no hydrogen 2.595 N/A VAL 262.A N ALA 258.A O no hydrogen 2.894 N/A LEU 263.A N PHE 259.A O no hydrogen 2.839 N/A ALA 264.A N ASP 260.A O no hydrogen 2.838 N/A SER 265.A N ARG 261.A O no hydrogen 2.980 N/A SER 265.A OG ARG 261.A O no hydrogen 2.868 N/A ARG 266.A N VAL 262.A O no hydrogen 3.137 N/A ARG 266.A N LEU 263.A O no hydrogen 3.259 N/A LEU 267.A N LEU 263.A O no hydrogen 2.948 N/A GLY 268.A N ALA 264.A O no hydrogen 3.017 N/A ALA 269.A N SER 265.A O no hydrogen 3.334 N/A ARG 270.A N ARG 266.A O no hydrogen 2.916 N/A ARG 270.A NH1 GLU 273.A OE1 no hydrogen 2.606 N/A ALA 271.A N LEU 267.A O no hydrogen 2.858 N/A VAL 272.A N GLY 268.A O no hydrogen 3.181 N/A GLU 273.A N ALA 269.A O no hydrogen 3.057 N/A LEU 274.A N ARG 270.A O no hydrogen 3.075 N/A LEU 275.A N ALA 271.A O no hydrogen 3.344 N/A LEU 276.A N VAL 272.A O no hydrogen 3.087 N/A GLU 277.A N GLU 273.A O no hydrogen 2.823 N/A GLY 278.A N LEU 275.A O no hydrogen 3.101 N/A GLY 281.A N CYS 119.A O no hydrogen 2.733 N/A ARG 282.A NE ASP 293.A OD1 no hydrogen 3.004 N/A ARG 282.A NH2 ASP 293.A OD1 no hydrogen 2.944 N/A CYS 283.A N HIS 294.A O no hydrogen 3.002 N/A CYS 283.A SG HIS 294.A O no hydrogen 3.775 N/A VAL 284.A N GLY 121.A O no hydrogen 3.116 N/A ILE 286.A N THR 133.A OG1 no hydrogen 2.939 N/A GLN 287.A N GLN 290.A O no hydrogen 2.826 N/A ASN 288.A N ASP 134.A OD2 no hydrogen 2.722 N/A GLN 290.A N GLN 287.A O no hydrogen 2.955 N/A VAL 292.A N GLY 285.A O no hydrogen 3.141 N/A HIS 294.A N CYS 283.A O no hydrogen 3.070 N/A HIS 294.A NE2 GLN 287.A OE1 no hydrogen 2.798 N/A ILE 296.A N GLY 281.A O no hydrogen 2.958 N/A ALA 299.A N ASP 295.A O no hydrogen 3.077 N/A LEU 300.A N ILE 296.A O no hydrogen 2.947 N/A ALA 301.A N GLU 298.A O no hydrogen 2.813 N/A ASN 302.A N ALA 299.A O no hydrogen 3.168 N/A HIS 304.A NE2 ASP 175.A OD1 no hydrogen 2.540 N/A GLN 308.A NE2 GLU 193.A O no hydrogen 3.010 N/A ARG 309.A N ASP 307.A OD1 no hydrogen 3.097 N/A ARG 309.A NH1 GLU 316.A OE1 no hydrogen 3.457 N/A MET 310.A N ASP 307.A O no hydrogen 2.936 N/A MET 310.A N ASP 307.A OD1 no hydrogen 3.117 N/A TYR 311.A N ASP 307.A O no hydrogen 3.212 N/A TYR 311.A OH ILE 189.A O no hydrogen 2.947 N/A ALA 312.A N GLN 308.A O no hydrogen 3.005 N/A LEU 313.A N ARG 309.A O no hydrogen 2.920 N/A SER 314.A N MET 310.A O no hydrogen 2.842 N/A SER 314.A OG TYR 311.A O no hydrogen 2.730 N/A LYS 315.A N TYR 311.A O no hydrogen 3.165 N/A LYS 315.A N ALA 312.A O no hydrogen 2.789 N/A GLU 316.A N ALA 312.A O no hydrogen 3.046 N/A LEU 317.A N LEU 313.A O no hydrogen 2.908 N/A SER 318.A N LYS 315.A O no hydrogen 2.965 N/A SER 318.A OG GLU 187.A O no hydrogen 3.563 N/A SER 318.A OG LYS 315.A O no hydrogen 2.933 N/A ILE 319.A N LYS 315.A O no hydrogen 3.332 N/A