Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7ncc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N VAL 80.A O no hydrogen 2.971 N/A MET 6.A N SER 133.A OG no hydrogen 2.885 N/A LYS 7.A N SER 5.A OG no hydrogen 3.193 N/A LYS 7.A NZ ASP 170.A OD1 no hydrogen 2.816 N/A LEU 10.A N MET 6.A O no hydrogen 3.015 N/A ASN 11.A N LYS 7.A O no hydrogen 3.160 N/A HIS 12.A N ASP 8.A O no hydrogen 2.955 N/A GLY 13.A N MET 9.A O no hydrogen 3.039 N/A LYS 14.A N LEU 10.A O no hydrogen 2.700 N/A GLU 15.A N ASN 11.A O no hydrogen 2.831 N/A ASN 16.A N HIS 12.A O no hydrogen 3.192 N/A ASN 16.A N GLY 13.A O no hydrogen 3.184 N/A ASN 16.A ND2 HIS 12.A O no hydrogen 2.714 N/A TYR 18.A N GLY 13.A O no hydrogen 3.030 N/A ALA 19.A N PHE 278.A O no hydrogen 3.126 N/A VAL 20.A N ALA 227.A O no hydrogen 2.776 N/A GLN 22.A N ILE 229.A O no hydrogen 2.895 N/A GLN 22.A NE2 ASN 24.A OD1 no hydrogen 3.066 N/A PHE 23.A N ILE 46.A O no hydrogen 3.045 N/A ASN 24.A ND2 ASP 85.A OD2 no hydrogen 3.202 N/A ILE 25.A N GLY 48.A O no hydrogen 2.928 N/A ASN 27.A ND2 ASN 26.A OD1 no hydrogen 2.784 N/A GLU 29.A N.A ASN 27.A OD1 no hydrogen 3.138 N/A GLU 29.A N.B ASN 27.A OD1 no hydrogen 3.165 N/A GLY 31.A N LEU 28.A O no hydrogen 3.203 N/A GLN 32.A N GLU 29.A O.A no hydrogen 3.244 N/A GLN 32.A N GLU 29.A O.B no hydrogen 3.320 N/A ILE 34.A N PHE 30.A O no hydrogen 2.973 N/A LEU 35.A N GLY 31.A O no hydrogen 3.218 N/A GLN 36.A N.A GLN 32.A O no hydrogen 2.968 N/A GLN 36.A N.B GLN 32.A O no hydrogen 2.888 N/A GLN 36.A NE2.A GLU 40.A OE1 no hydrogen 3.349 N/A GLN 36.A NE2.B GLN 32.A O no hydrogen 3.479 N/A ALA 37.A N ALA 33.A O no hydrogen 2.966 N/A ALA 38.A N ILE 34.A O no hydrogen 3.104 N/A GLU 39.A N LEU 35.A O no hydrogen 2.873 N/A GLU 40.A N GLN 36.A O.A no hydrogen 2.804 N/A GLU 40.A N GLN 36.A O.B no hydrogen 2.838 N/A GLU 41.A N ALA 37.A O no hydrogen 2.922 N/A LYS 42.A N GLU 39.A O no hydrogen 3.243 N/A SER 43.A N ALA 38.A O no hydrogen 2.901 N/A SER 43.A OG PRO 44.A O no hydrogen 2.660 N/A SER 43.A OG SER 280.A OG no hydrogen 2.824 N/A VAL 45.A N PRO 79.A O no hydrogen 2.926 N/A ILE 46.A N GLY 21.A O no hydrogen 3.179 N/A ILE 47.A N ALA 81.A O no hydrogen 2.754 N/A GLY 48.A N PHE 23.A O no hydrogen 3.093 N/A VAL 49.A N HIS 83.A O no hydrogen 2.845 N/A ALA 53.A N SER 50.A OG no hydrogen 2.821 N/A ALA 54.A N SER 50.A O no hydrogen 3.037 N/A ASN 55.A N VAL 51.A O no hydrogen 2.884 N/A TYR 56.A N GLY 52.A O no hydrogen 3.010 N/A MET 57.A N ALA 53.A O no hydrogen 2.922 N/A MET 57.A N ALA 54.A O no hydrogen 3.180 N/A GLY 59.A N ALA 54.A O no hydrogen 2.735 N/A LYS 61.A NZ ASP 65.A OD2 no hydrogen 3.511 N/A ILE 63.A N GLY 59.A O no hydrogen 3.415 N/A VAL 64.A N PHE 60.A O no hydrogen 3.064 N/A ASP 65.A N LYS 61.A O no hydrogen 2.933 N/A MET 66.A N LEU 62.A O no hydrogen 3.059 N/A VAL 67.A N ILE 63.A O no hydrogen 2.909 N/A LYS 68.A N VAL 64.A O no hydrogen 2.805 N/A SER 69.A N ASP 65.A O no hydrogen 2.713 N/A SER 69.A OG ASP 65.A O no hydrogen 3.131 N/A SER 70.A N MET 66.A O no hydrogen 2.851 N/A SER 70.A OG GLN 32.A OE1 no hydrogen 3.187 N/A SER 70.A OG MET 66.A O no hydrogen 2.768 N/A MET 71.A N VAL 67.A O no hydrogen 2.851 N/A ASP 72.A N LYS 68.A O no hydrogen 3.126 N/A SER 73.A N SER 69.A O no hydrogen 3.042 N/A TYR 74.A N SER 70.A O no hydrogen 2.924 N/A ASN 75.A N ASP 72.A O no hydrogen 3.324 N/A VAL 76.A N MET 71.A O no hydrogen 2.988 N/A THR 77.A N GLU 39.A OE1 no hydrogen 2.641 N/A THR 77.A OG1 GLU 39.A OE1 no hydrogen 3.097 N/A THR 77.A OG1 GLU 39.A OE2 no hydrogen 2.709 N/A VAL 78.A N GLU 39.A OE1 no hydrogen 3.369 N/A ALA 81.A N VAL 45.A O no hydrogen 3.096 N/A ILE 82.A N THR 102.A OG1 no hydrogen 3.093 N/A HIS 83.A N ILE 47.A O no hydrogen 2.915 N/A HIS 83.A ND1 SER 103.A OG no hydrogen 2.674 N/A LEU 84.A N SER 103.A O no hydrogen 2.930 N/A ASP 85.A N VAL 49.A O no hydrogen 2.786 N/A GLY 87.A N MET 105.A O no hydrogen 2.665 N/A LYS 92.A N SER 89.A OG no hydrogen 3.089 N/A CYS 93.A N SER 89.A O no hydrogen 3.143 N/A CYS 93.A SG SER 89.A O no hydrogen 3.370 N/A VAL 94.A N LEU 90.A O no hydrogen 2.891 N/A GLN 95.A N GLU 91.A O no hydrogen 2.966 N/A ALA 96.A N LYS 92.A O no hydrogen 2.868 N/A ILE 97.A N CYS 93.A O no hydrogen 2.850 N/A HIS 98.A N VAL 94.A O no hydrogen 2.788 N/A ALA 99.A N GLN 95.A O no hydrogen 3.045 N/A GLY 100.A N ILE 97.A O no hydrogen 2.938 N/A PHE 101.A N ALA 96.A O no hydrogen 3.052 N/A THR 102.A N ILE 82.A O no hydrogen 2.929 N/A THR 102.A OG1 VAL 4.A O no hydrogen 2.637 N/A THR 102.A OG1 ILE 82.A O no hydrogen 3.449 N/A SER 103.A N ILE 82.A O no hydrogen 3.023 N/A SER 103.A OG HIS 83.A ND1 no hydrogen 2.674 N/A SER 103.A OG SER 133.A O no hydrogen 3.315 N/A SER 103.A OG SER 133.A OG no hydrogen 2.741 N/A VAL 104.A N SER 133.A O no hydrogen 2.798 N/A MET 105.A N LEU 84.A O no hydrogen 2.921 N/A ILE 106.A N GLU 135.A O no hydrogen 2.998 N/A ASP 107.A N GLY 87.A O no hydrogen 2.944 N/A SER 109.A N ASP 107.A OD1 no hydrogen 3.133 N/A SER 109.A OG ASP 107.A OD1 no hydrogen 2.606 N/A LEU 111.A N GLY 108.A O no hydrogen 3.008 N/A ASN 116.A N PRO 112.A O no hydrogen 3.020 N/A ASN 116.A ND2 GLU 137.A O no hydrogen 3.008 N/A ILE 117.A N LEU 113.A O no hydrogen 2.886 N/A GLU 118.A N GLU 114.A O no hydrogen 2.975 N/A LEU 119.A N GLU 115.A O no hydrogen 2.928 N/A THR 120.A N ASN 116.A O no hydrogen 2.861 N/A THR 120.A OG1 ASN 116.A O no hydrogen 2.814 N/A THR 120.A OG1 ASN 116.A OD1 no hydrogen 3.053 N/A LYS 121.A N ILE 117.A O no hydrogen 2.849 N/A ARG 122.A N GLU 118.A O no hydrogen 3.035 N/A VAL 123.A N LEU 119.A O no hydrogen 3.095 N/A VAL 124.A N THR 120.A O no hydrogen 2.909 N/A GLU 125.A N LYS 121.A O no hydrogen 3.077 N/A ILE 126.A N ARG 122.A O no hydrogen 3.251 N/A ALA 127.A N VAL 123.A O no hydrogen 2.793 N/A HIS 128.A N VAL 124.A O no hydrogen 2.902 N/A HIS 128.A NE2 ASP 170.A OD2 no hydrogen 2.670 N/A SER 129.A N ILE 126.A O no hydrogen 2.931 N/A SER 129.A OG GLU 125.A O no hydrogen 2.892 N/A SER 129.A OG ILE 126.A O no hydrogen 3.276 N/A VAL 130.A N ALA 127.A O no hydrogen 3.196 N/A VAL 132.A N ALA 127.A O no hydrogen 2.894 N/A SER 133.A N THR 102.A O no hydrogen 3.096 N/A SER 133.A OG THR 102.A O no hydrogen 3.563 N/A SER 133.A OG SER 103.A OG no hydrogen 2.741 N/A VAL 134.A N ASP 170.A OD2 no hydrogen 2.914 N/A GLU 135.A N VAL 104.A O no hydrogen 2.870 N/A ALA 136.A N CYS 171.A O no hydrogen 3.338 N/A LEU 138.A N ALA 173.A O no hydrogen 3.366 N/A ARG 140.A N PHE 153.A O no hydrogen 2.713 N/A GLY 142.A N SER 178.A O no hydrogen 2.872 N/A ASP 146.A N GLY 143.A O no hydrogen 3.242 N/A PHE 153.A N ALA 150.A O no hydrogen 2.993 N/A TYR 154.A N GLU 151.A O no hydrogen 3.239 N/A TYR 154.A OH LYS 188.A O no hydrogen 2.719 N/A ALA 155.A N ALA 175.A O no hydrogen 2.927 N/A CYS 160.A N ILE 156.A O no hydrogen 3.050 N/A CYS 160.A SG ILE 156.A O no hydrogen 3.343 N/A GLU 161.A N PRO 157.A O no hydrogen 2.982 N/A GLN 162.A N SER 158.A O no hydrogen 3.160 N/A GLN 162.A NE2 GLU 166.A OE1 no hydrogen 3.380 N/A LEU 163.A N GLU 159.A O no hydrogen 2.869 N/A VAL 164.A N CYS 160.A O no hydrogen 3.047 N/A ARG 165.A N GLU 161.A O no hydrogen 3.191 N/A ARG 165.A NE GLU 161.A OE2 no hydrogen 2.779 N/A ARG 165.A NH2 GLU 161.A OE1 no hydrogen 2.922 N/A ARG 165.A NH2 GLU 161.A OE2 no hydrogen 3.507 N/A GLU 166.A N GLN 162.A O no hydrogen 2.748 N/A THR 167.A N LEU 163.A O no hydrogen 2.942 N/A THR 167.A OG1 LEU 163.A O no hydrogen 2.730 N/A GLY 168.A N VAL 164.A O no hydrogen 3.201 N/A VAL 169.A N THR 167.A OG1 no hydrogen 3.328 N/A ASP 170.A N VAL 134.A O no hydrogen 3.091 N/A CYS 171.A N VAL 134.A O no hydrogen 3.223 N/A CYS 171.A SG VAL 134.A O no hydrogen 3.917 N/A PHE 172.A N PRO 204.A O no hydrogen 3.049 N/A ALA 173.A N ALA 136.A O no hydrogen 2.692 N/A ALA 175.A N LEU 138.A O no hydrogen 2.955 N/A SER 178.A OG HIS 208.A O no hydrogen 2.485 N/A VAL 179.A N TYR 183.A OH no hydrogen 3.220 N/A HIS 180.A N GLY 142.A O no hydrogen 2.797 N/A TYR 183.A OH GLY 209.A O no hydrogen 2.618 N/A GLY 190.A N LEU 176.A O no hydrogen 2.911 N/A PHE 191.A N LEU 189.A O no hydrogen 2.906 N/A ARG 193.A NH1 GLU 151.A OE1 no hydrogen 2.607 N/A MET 194.A N GLY 190.A O no hydrogen 2.863 N/A GLU 195.A N PHE 191.A O no hydrogen 2.906 N/A GLU 196.A N ASP 192.A O no hydrogen 3.116 N/A ILE 197.A N ARG 193.A O no hydrogen 2.820 N/A MET 198.A N MET 194.A O no hydrogen 2.744 N/A LYS 199.A N GLU 195.A O no hydrogen 2.941 N/A LEU 200.A N GLU 196.A O no hydrogen 2.719 N/A THR 201.A N ILE 197.A O no hydrogen 2.882 N/A THR 201.A OG1 ILE 197.A O no hydrogen 2.696 N/A GLY 202.A N MET 198.A O no hydrogen 3.021 N/A LEU 205.A N GLY 225.A O no hydrogen 3.003 N/A VAL 206.A N PHE 172.A O no hydrogen 2.944 N/A LEU 207.A N LYS 228.A O no hydrogen 2.858 N/A GLY 210.A N ASN 230.A O no hydrogen 2.919 N/A THR 211.A OG1 THR 233.A OG1 no hydrogen 3.283 N/A ILE 213.A N GLY 210.A O no hydrogen 3.240 N/A ILE 218.A N PRO 214.A O no hydrogen 3.114 N/A GLN 219.A N THR 215.A O no hydrogen 2.849 N/A GLN 219.A NE2 GLU 277.A O no hydrogen 2.878 N/A LYS 220.A N LYS 216.A O no hydrogen 3.081 N/A ALA 221.A N ASP 217.A O no hydrogen 2.719 N/A ILE 222.A N ILE 218.A O no hydrogen 2.784 N/A SER 223.A N GLN 219.A O no hydrogen 3.125 N/A SER 223.A OG LYS 220.A O no hydrogen 2.339 N/A LEU 224.A N LYS 220.A O no hydrogen 3.030 N/A LEU 224.A N ALA 221.A O no hydrogen 3.146 N/A GLY 225.A N ILE 222.A O no hydrogen 3.096 N/A THR 226.A N ALA 221.A O no hydrogen 2.948 N/A THR 226.A OG1 ALA 221.A O no hydrogen 3.218 N/A ALA 227.A N LEU 205.A O no hydrogen 2.855 N/A LYS 228.A NZ GLN 22.A OE1 no hydrogen 2.672 N/A LYS 228.A NZ GLU 135.A OE1 no hydrogen 2.637 N/A LYS 228.A NZ ASN 230.A OD1 no hydrogen 2.939 N/A ILE 229.A N VAL 20.A O no hydrogen 3.175 N/A ASN 230.A N LEU 207.A O no hydrogen 3.017 N/A VAL 231.A N GLN 22.A O no hydrogen 2.877 N/A THR 233.A OG1 THR 211.A OG1 no hydrogen 3.283 N/A GLU 234.A N THR 211.A OG1 no hydrogen 3.195 N/A SER 235.A N ASN 232.A O no hydrogen 3.084 N/A GLN 236.A N ASN 232.A O no hydrogen 3.499 N/A ILE 237.A N THR 233.A O no hydrogen 2.899 N/A ALA 238.A N GLU 234.A O no hydrogen 3.076 N/A ALA 239.A N SER 235.A O no hydrogen 3.065 N/A THR 240.A N GLN 236.A O no hydrogen 3.030 N/A THR 240.A OG1 GLN 236.A O no hydrogen 3.120 N/A LYS 241.A N ILE 237.A O no hydrogen 3.055 N/A ALA 242.A N ALA 238.A O no hydrogen 3.288 N/A VAL 243.A N ALA 239.A O no hydrogen 3.122 N/A ARG 244.A N THR 240.A O no hydrogen 2.939 N/A GLU 245.A N LYS 241.A O no hydrogen 3.083 N/A VAL 246.A N ALA 242.A O no hydrogen 3.225 N/A LEU 247.A N VAL 243.A O no hydrogen 3.073 N/A ASN 248.A N ARG 244.A O no hydrogen 2.909 N/A ASN 249.A N GLU 245.A O no hydrogen 3.068 N/A ASP 250.A N LEU 247.A O no hydrogen 3.367 N/A LYS 252.A N ASP 250.A OD1 no hydrogen 3.090 N/A LEU 253.A N ASP 250.A O no hydrogen 3.410 N/A LEU 253.A N ASP 250.A OD1 no hydrogen 3.143 N/A ARG 257.A N ASP 255.A OD1 no hydrogen 3.009 N/A LYS 258.A N ASP 255.A O no hydrogen 2.787 N/A PHE 259.A N PRO 256.A O no hydrogen 2.999 N/A LEU 260.A N PRO 256.A O no hydrogen 3.009 N/A ALA 261.A N ARG 257.A O no hydrogen 3.055 N/A ALA 263.A N PHE 259.A O no hydrogen 3.307 N/A ARG 264.A N LEU 260.A O no hydrogen 3.025 N/A GLU 265.A N ALA 261.A O no hydrogen 3.140 N/A ALA 266.A N PRO 262.A O no hydrogen 3.101 N/A ILE 267.A N ALA 263.A O no hydrogen 3.077 N/A LYS 268.A N ARG 264.A O no hydrogen 2.873 N/A LYS 268.A NZ GLU 40.A OE1 no hydrogen 3.433 N/A LYS 268.A NZ GLU 40.A OE2 no hydrogen 3.422 N/A LYS 268.A NZ GLU 265.A OE1 no hydrogen 3.483 N/A GLU 269.A N GLU 265.A O no hydrogen 3.081 N/A THR 270.A N ALA 266.A O no hydrogen 2.900 N/A THR 270.A OG1 ALA 266.A O no hydrogen 3.151 N/A ILE 271.A N ILE 267.A O no hydrogen 3.083 N/A LYS 272.A N LYS 268.A O no hydrogen 2.912 N/A LYS 272.A NZ GLU 40.A OE2 no hydrogen 2.790 N/A GLY 273.A N GLU 269.A O no hydrogen 3.040 N/A LYS 274.A N THR 270.A O no hydrogen 3.226 N/A LYS 274.A NZ GLU 277.A OE1 no hydrogen 3.358 N/A MET 275.A N ILE 271.A O no hydrogen 2.895 N/A ARG 276.A N LYS 272.A O no hydrogen 2.924 N/A ARG 276.A NE GLU 41.A OE2 no hydrogen 3.298 N/A GLU 277.A N GLY 273.A O no hydrogen 2.751 N/A PHE 278.A N LYS 274.A O no hydrogen 2.750 N/A GLY 279.A N MET 275.A O no hydrogen 3.064 N/A GLY 279.A N ARG 276.A O no hydrogen 3.262 N/A SER 280.A N MET 275.A O no hydrogen 2.952 N/A SER 280.A OG SER 43.A OG no hydrogen 2.824 N/A SER 280.A OG MET 275.A O no hydrogen 3.233 N/A SER 281.A N MET 275.A O no hydrogen 3.209 N/A SER 281.A OG GLU 41.A OE1 no hydrogen 2.714 N/A GLY 282.A N GLU 41.A O no hydrogen 2.684 N/A LYS 283.A N SER 280.A O no hydrogen 2.962 N/A LYS 283.A NZ GLY 279.A O no hydrogen 3.058 N/A ALA 284.A N LYS 42.A O no hydrogen 2.779 N/A