Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 197.A OD1 no hydrogen 2.796 N/A SER 1.A N ASP 197.A OD2 no hydrogen 2.786 N/A SER 1.A N GLN 199.A OE1 no hydrogen 2.989 N/A ILE 2.A N THR 173.A OG1 no hydrogen 2.992 N/A ILE 4.A N ILE 2.A O no hydrogen 2.616 N/A ASP 5.A N THR 8.A OG1 no hydrogen 3.197 N/A LYS 6.A N GLU 131.A OE1 no hydrogen 3.265 N/A ASN 7.A N ASP 5.A OD1 no hydrogen 2.469 N/A THR 8.A N ASP 5.A O no hydrogen 3.016 N/A THR 8.A N ASP 5.A OD1 no hydrogen 3.335 N/A VAL 10.A N LYS 33.A O no hydrogen 2.803 N/A ILE 11.A N ALA 67.A O no hydrogen 3.021 N/A CYS 12.A N GLY 36.A O no hydrogen 2.936 N/A CYS 12.A SG GLN 13.A O no hydrogen 3.907 N/A CYS 12.A SG SER 24.A OG no hydrogen 3.531 N/A GLN 13.A N VAL 69.A O no hydrogen 2.875 N/A GLN 13.A NE2 SER 80.A O no hydrogen 3.115 N/A GLY 14.A N VAL 38.A O no hydrogen 2.990 N/A THR 16.A OG1 THR 39.A OG1 no hydrogen 2.896 N/A GLY 17.A N GLY 14.A O no hydrogen 3.408 N/A THR 21.A N GLY 17.A O no hydrogen 2.834 N/A THR 21.A OG1 PHE 15.A O no hydrogen 3.243 N/A THR 21.A OG1 GLY 17.A O no hydrogen 2.635 N/A THR 21.A OG1 HIS 47.A NE2 no hydrogen 3.124 N/A PHE 22.A N SER 18.A O no hydrogen 2.891 N/A HIS 23.A N GLN 19.A O no hydrogen 3.105 N/A SER 24.A N GLY 20.A O no hydrogen 3.031 N/A SER 24.A OG GLY 20.A O no hydrogen 2.601 N/A GLU 25.A N THR 21.A O no hydrogen 3.073 N/A GLN 26.A N PHE 22.A O no hydrogen 3.359 N/A GLN 26.A NE2 PHE 22.A O no hydrogen 3.222 N/A ALA 27.A N HIS 23.A O no hydrogen 2.823 N/A ILE 28.A N SER 24.A O no hydrogen 2.748 N/A ALA 29.A N GLU 25.A O no hydrogen 2.706 N/A TYR 30.A N GLN 26.A O no hydrogen 3.043 N/A TYR 30.A N ALA 27.A O no hydrogen 3.134 N/A GLY 31.A N ILE 28.A O no hydrogen 2.870 N/A THR 32.A N ALA 27.A O no hydrogen 2.859 N/A THR 32.A OG1 ALA 27.A O no hydrogen 3.205 N/A THR 32.A OG1 LYS 133.A O no hydrogen 2.797 N/A MET 34.A N THR 32.A O no hydrogen 2.872 N/A VAL 35.A N VAL 10.A O no hydrogen 2.904 N/A GLY 37.A N PRO 51.A O no hydrogen 3.073 N/A VAL 38.A N CYS 12.A O no hydrogen 2.756 N/A THR 39.A N PHE 53.A O no hydrogen 2.859 N/A THR 39.A OG1 THR 16.A OG1 no hydrogen 2.896 N/A THR 39.A OG1 VAL 38.A O no hydrogen 2.924 N/A GLY 41.A N ASN 54.A OD1 no hydrogen 2.773 N/A LYS 42.A N THR 39.A O no hydrogen 2.760 N/A LYS 42.A NZ THR 16.A OG1 no hydrogen 3.420 N/A GLY 43.A N ASN 54.A OD1 no hydrogen 2.616 N/A GLY 44.A N VAL 52.A O no hydrogen 2.853 N/A THR 45.A N LYS 42.A O no hydrogen 3.299 N/A THR 45.A OG1 LYS 42.A O no hydrogen 2.725 N/A HIS 47.A N LEU 50.A O no hydrogen 2.665 N/A HIS 47.A NE2 THR 21.A OG1 no hydrogen 3.124 N/A VAL 52.A N THR 45.A O no hydrogen 2.845 N/A PHE 53.A N GLY 37.A O no hydrogen 2.874 N/A ASN 54.A N GLU 58.A OE1 no hydrogen 2.810 N/A THR 55.A N GLU 58.A OE1 no hydrogen 3.171 N/A VAL 56.A N GLU 83.A OE2 no hydrogen 2.863 N/A ARG 57.A NH1 ASP 86.A OD1 no hydrogen 2.831 N/A ARG 57.A NH2 ASP 86.A OD1 no hydrogen 3.340 N/A GLU 58.A N THR 55.A OG1 no hydrogen 3.074 N/A ALA 59.A N THR 55.A O no hydrogen 3.426 N/A VAL 60.A N VAL 56.A O no hydrogen 2.829 N/A ALA 61.A N ARG 57.A O no hydrogen 2.941 N/A ALA 62.A N GLU 58.A O no hydrogen 2.831 N/A THR 63.A N ALA 59.A O no hydrogen 2.706 N/A THR 63.A OG1 ALA 59.A O no hydrogen 2.896 N/A GLY 64.A N VAL 60.A O no hydrogen 2.615 N/A ALA 65.A N THR 63.A OG1 no hydrogen 3.220 N/A THR 66.A N LYS 9.A O no hydrogen 3.244 N/A ALA 67.A N LYS 9.A O no hydrogen 3.341 N/A SER 68.A N LEU 91.A O no hydrogen 2.843 N/A SER 68.A OG GLN 13.A OE1 no hydrogen 2.802 N/A VAL 69.A N ILE 11.A O no hydrogen 2.962 N/A ILE 70.A N ILE 93.A O no hydrogen 2.808 N/A TYR 71.A N GLN 13.A O no hydrogen 2.945 N/A PHE 76.A N PRO 73.A O no hydrogen 2.800 N/A CYS 77.A N ALA 74.A O no hydrogen 3.113 N/A CYS 77.A SG VAL 72.A O no hydrogen 3.234 N/A CYS 77.A SG THR 96.A OG1 no hydrogen 3.452 N/A SER 80.A N PHE 76.A O no hydrogen 3.107 N/A SER 80.A OG PHE 76.A O no hydrogen 3.399 N/A ILE 81.A N CYS 77.A O no hydrogen 2.682 N/A LEU 82.A N LYS 78.A O no hydrogen 3.028 N/A GLU 83.A N ASP 79.A O no hydrogen 3.221 N/A ALA 84.A N SER 80.A O no hydrogen 2.882 N/A ILE 85.A N ILE 81.A O no hydrogen 2.882 N/A ASP 86.A N LEU 82.A O no hydrogen 3.088 N/A ALA 87.A N GLU 83.A O no hydrogen 2.800 N/A ALA 87.A N ALA 84.A O no hydrogen 3.186 N/A GLY 88.A N ILE 85.A O no hydrogen 3.335 N/A ILE 89.A N ALA 84.A O no hydrogen 3.207 N/A LYS 90.A N THR 66.A O no hydrogen 2.845 N/A LEU 91.A N THR 66.A O no hydrogen 3.241 N/A ILE 92.A N ARG 117.A O no hydrogen 2.858 N/A ILE 93.A N SER 68.A O no hydrogen 2.867 N/A THR 94.A N ILE 119.A O no hydrogen 2.951 N/A ILE 95.A N ILE 70.A O no hydrogen 3.146 N/A THR 96.A OG1 VAL 72.A O no hydrogen 2.386 N/A ASP 103.A N PRO 100.A O no hydrogen 2.995 N/A MET 104.A N PRO 100.A O no hydrogen 3.272 N/A LEU 105.A N THR 101.A O no hydrogen 2.985 N/A THR 106.A N LEU 102.A O no hydrogen 3.354 N/A THR 106.A OG1 LEU 102.A O no hydrogen 3.429 N/A VAL 107.A N ASP 103.A O no hydrogen 2.982 N/A LYS 108.A N MET 104.A O no hydrogen 2.865 N/A LYS 108.A NZ ASP 112.A OD1 no hydrogen 3.221 N/A LYS 108.A NZ GLY 184.A O no hydrogen 2.599 N/A VAL 109.A N LEU 105.A O no hydrogen 3.453 N/A LYS 110.A N THR 106.A O no hydrogen 3.027 N/A LEU 111.A N VAL 107.A O no hydrogen 2.746 N/A ASP 112.A N LYS 108.A O no hydrogen 3.096 N/A GLU 113.A N VAL 109.A O no hydrogen 2.911 N/A ALA 114.A N LYS 110.A O no hydrogen 2.786 N/A GLY 115.A N ASP 112.A O no hydrogen 2.892 N/A VAL 116.A N LEU 111.A O no hydrogen 3.013 N/A ARG 117.A N LYS 90.A O no hydrogen 3.076 N/A ARG 117.A NE SER 185.A OG no hydrogen 3.242 N/A ILE 119.A N ILE 92.A O no hydrogen 2.824 N/A ASN 122.A N THR 96.A O no hydrogen 2.596 N/A ASN 122.A ND2 ASP 180.A OD1 no hydrogen 2.945 N/A VAL 126.A N ILE 134.A O no hydrogen 2.882 N/A ILE 127.A N CYS 174.A O no hydrogen 3.044 N/A THR 128.A N CYS 132.A O no hydrogen 2.716 N/A THR 128.A OG1 ILE 4.A O no hydrogen 3.070 N/A GLY 130.A N TYR 30.A OH no hydrogen 2.884 N/A GLU 131.A N THR 128.A O no hydrogen 2.825 N/A CYS 132.A N THR 128.A O no hydrogen 3.118 N/A LYS 133.A N THR 32.A OG1 no hydrogen 2.989 N/A LYS 133.A NZ GLN 137.A O no hydrogen 2.514 N/A ILE 134.A N VAL 126.A O no hydrogen 2.940 N/A ILE 136.A N PRO 124.A O no hydrogen 2.634 N/A ILE 141.A N PRO 138.A O no hydrogen 3.488 N/A HIS 142.A ND1 PRO 138.A O no hydrogen 2.971 N/A LYS 143.A N GLN 171.A OE1 no hydrogen 2.738 N/A GLY 145.A N GLN 171.A O no hydrogen 2.872 N/A LYS 146.A N PHE 169.A O no hydrogen 3.069 N/A LYS 146.A NZ GLU 201.A OE1 no hydrogen 3.247 N/A VAL 147.A N GLY 170.A O no hydrogen 3.082 N/A GLY 148.A N ALA 202.A O no hydrogen 2.841 N/A ILE 149.A N THR 173.A O no hydrogen 3.080 N/A VAL 150.A N VAL 204.A O no hydrogen 2.954 N/A SER 151.A N VAL 175.A O no hydrogen 2.986 N/A SER 151.A OG SER 153.A O no hydrogen 2.687 N/A SER 151.A OG THR 157.A OG1 no hydrogen 2.946 N/A ARG 152.A N ILE 206.A O no hydrogen 2.852 N/A ARG 152.A NH1 ILE 209.A O no hydrogen 2.954 N/A ARG 152.A NH1 GLU 214.A OE2 no hydrogen 3.380 N/A ARG 152.A NH2 GLY 248.A O no hydrogen 3.523 N/A SER 153.A N SER 151.A OG no hydrogen 3.013 N/A THR 157.A N GLY 154.A O no hydrogen 2.912 N/A THR 157.A OG1 SER 153.A O no hydrogen 2.687 N/A THR 157.A OG1 GLY 154.A O no hydrogen 3.170 N/A GLU 159.A N THR 155.A O no hydrogen 3.380 N/A ALA 160.A N LEU 156.A O no hydrogen 3.214 N/A VAL 161.A N THR 157.A O no hydrogen 2.667 N/A LYS 162.A N TYR 158.A O no hydrogen 2.775 N/A LYS 162.A NZ ASP 166.A OD2 no hydrogen 3.011 N/A GLN 163.A N GLU 159.A O no hydrogen 3.011 N/A GLN 163.A NE2 LEU 276.A O no hydrogen 2.710 N/A THR 164.A N ALA 160.A O no hydrogen 2.991 N/A THR 164.A OG1 ALA 160.A O no hydrogen 3.144 N/A THR 164.A OG1 VAL 161.A O no hydrogen 2.976 N/A THR 165.A N VAL 161.A O no hydrogen 3.191 N/A THR 165.A OG1 ILE 141.A O no hydrogen 2.822 N/A THR 165.A OG1 VAL 161.A O no hydrogen 3.055 N/A ASP 166.A N LYS 162.A O no hydrogen 2.686 N/A TYR 167.A N GLN 163.A O no hydrogen 2.920 N/A TYR 167.A OH GLU 281.A OE2 no hydrogen 2.526 N/A GLY 168.A N THR 165.A O no hydrogen 3.167 N/A PHE 169.A N THR 164.A O no hydrogen 2.799 N/A GLY 170.A N THR 164.A O no hydrogen 3.212 N/A GLN 171.A N LYS 143.A O no hydrogen 2.686 N/A GLN 171.A NE2 THR 164.A OG1 no hydrogen 2.729 N/A GLN 171.A NE2 THR 165.A OG1 no hydrogen 2.701 N/A SER 172.A N VAL 147.A O no hydrogen 2.629 N/A SER 172.A OG THR 200.A OG1 no hydrogen 2.764 N/A CYS 174.A N ILE 127.A O no hydrogen 2.814 N/A CYS 174.A SG HIS 142.A NE2 no hydrogen 3.324 N/A VAL 175.A N ILE 149.A O no hydrogen 2.743 N/A GLY 176.A N GLY 125.A O no hydrogen 3.346 N/A ILE 177.A N SER 151.A O no hydrogen 3.027 N/A GLY 184.A N GLY 120.A O no hydrogen 2.725 N/A SER 185.A OG MET 118.A O no hydrogen 2.798 N/A ASN 186.A N ASP 189.A OD2 no hydrogen 2.967 N/A ASP 189.A N ASN 186.A O no hydrogen 3.199 N/A ILE 190.A N ASN 186.A O no hydrogen 3.397 N/A LEU 191.A N PHE 187.A O no hydrogen 2.717 N/A GLU 192.A N ILE 188.A O no hydrogen 3.228 N/A MET 193.A N ILE 190.A O no hydrogen 3.027 N/A PHE 194.A N ILE 190.A O no hydrogen 3.015 N/A GLU 195.A N LEU 191.A O no hydrogen 2.904 N/A LYS 196.A N GLU 192.A O no hydrogen 3.443 N/A ASP 197.A N PHE 194.A O no hydrogen 3.258 N/A GLN 199.A NE2 GLY 145.A O no hydrogen 2.650 N/A THR 200.A N ASP 197.A O no hydrogen 3.127 N/A THR 200.A OG1 SER 172.A OG no hydrogen 2.764 N/A THR 200.A OG1 ASP 197.A OD2 no hydrogen 2.618 N/A GLU 201.A N LYS 146.A O no hydrogen 2.657 N/A ALA 202.A N LYS 146.A O no hydrogen 3.413 N/A ILE 203.A N PRO 228.A O no hydrogen 2.864 N/A VAL 204.A N GLY 148.A O no hydrogen 2.793 N/A MET 205.A N VAL 230.A O no hydrogen 2.939 N/A ILE 206.A N VAL 150.A O no hydrogen 2.752 N/A GLY 207.A N TYR 232.A O no hydrogen 3.001 N/A GLU 208.A N GLU 214.A OE2 no hydrogen 2.997 N/A GLY 210.A N GLY 256.A O no hydrogen 2.914 N/A SER 212.A OG GLU 216.A OE2 no hydrogen 2.954 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 2.707 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.786 N/A GLU 216.A N SER 212.A O no hydrogen 2.994 N/A ALA 217.A N ALA 213.A O no hydrogen 2.774 N/A ALA 218.A N GLU 214.A O no hydrogen 2.713 N/A ALA 219.A N GLU 215.A O no hydrogen 3.353 N/A TYR 220.A N GLU 216.A O no hydrogen 3.159 N/A ILE 221.A N ALA 217.A O no hydrogen 2.674 N/A LYS 222.A N ALA 218.A O no hydrogen 2.973 N/A LYS 222.A NZ ALA 267.A O no hydrogen 3.185 N/A GLU 223.A N ALA 219.A O no hydrogen 3.177 N/A GLU 223.A N TYR 220.A O no hydrogen 2.967 N/A HIS 224.A N TYR 220.A O no hydrogen 2.641 N/A HIS 224.A N ILE 221.A O no hydrogen 3.274 N/A VAL 225.A N ILE 221.A O no hydrogen 2.875 N/A THR 226.A N GLU 195.A OE1 no hydrogen 3.460 N/A THR 226.A N GLU 195.A OE2 no hydrogen 2.684 N/A THR 226.A OG1 GLU 195.A OE1 no hydrogen 3.274 N/A THR 226.A OG1 GLU 195.A OE2 no hydrogen 2.996 N/A LYS 227.A N GLU 195.A OE1 no hydrogen 3.505 N/A LYS 227.A NZ PHE 194.A O no hydrogen 3.418 N/A LYS 227.A NZ THR 200.A O no hydrogen 2.520 N/A VAL 230.A N ILE 203.A O no hydrogen 2.738 N/A GLY 231.A N LYS 271.A O no hydrogen 2.727 N/A TYR 232.A N MET 205.A O no hydrogen 3.097 N/A ALA 234.A N GLY 207.A O no hydrogen 3.227 N/A GLY 245.A N ARG 243.A O no hydrogen 3.161 N/A HIS 246.A N MET 244.A O no hydrogen 2.834 N/A ALA 249.A N HIS 246.A O no hydrogen 3.174 N/A LYS 255.A N ALA 252.A O no hydrogen 2.854 N/A THR 257.A N GLU 260.A OE1 no hydrogen 3.042 N/A THR 257.A OG1 GLU 260.A OE1 no hydrogen 3.482 N/A GLU 260.A N THR 257.A OG1 no hydrogen 2.935 N/A LYS 261.A N THR 257.A O no hydrogen 3.358 N/A LYS 261.A NZ GLY 210.A O no hydrogen 3.325 N/A LYS 261.A NZ GLY 211.A O no hydrogen 2.877 N/A LYS 261.A NZ GLU 214.A OE1 no hydrogen 3.284 N/A LYS 261.A NZ GLU 215.A OE1 no hydrogen 2.767 N/A LYS 261.A NZ GLU 215.A OE2 no hydrogen 3.254 N/A PHE 262.A N ALA 258.A O no hydrogen 2.947 N/A ALA 263.A N ASP 259.A O no hydrogen 3.110 N/A ALA 264.A N GLU 260.A O no hydrogen 3.218 N/A LEU 265.A N LYS 261.A O no hydrogen 2.882 N/A GLU 266.A N PHE 262.A O no hydrogen 2.773 N/A ALA 267.A N ALA 263.A O no hydrogen 2.649 N/A ALA 268.A N LEU 265.A O no hydrogen 2.945 N/A GLY 269.A N GLU 266.A O no hydrogen 2.889 N/A VAL 270.A N LEU 265.A O no hydrogen 2.980 N/A LYS 271.A N VAL 229.A O no hydrogen 2.828 N/A THR 272.A OG1 GLU 266.A OE2 no hydrogen 3.016 N/A VAL 273.A N GLY 231.A O no hydrogen 3.028 N/A ASP 278.A N SER 275.A O no hydrogen 3.006 N/A GLY 280.A N GLN 163.A OE1 no hydrogen 2.965 N/A ALA 282.A N ASP 278.A O no hydrogen 3.068 N/A LEU 283.A N ILE 279.A O no hydrogen 3.209 N/A LYS 284.A N GLY 280.A O no hydrogen 2.913 N/A THR 285.A N GLU 281.A O no hydrogen 2.919 N/A THR 285.A OG1 GLU 281.A O no hydrogen 3.386 N/A VAL 286.A N ALA 282.A O no hydrogen 3.204 N/A LEU 287.A N LEU 283.A O no hydrogen 2.748 N/A