Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4o46_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE GLU 40.A OE2 no hydrogen 3.263 N/A ARG 3.A NH2 GLU 40.A OE1 no hydrogen 2.707 N/A GLN 5.A N ASP 2.A OD1 no hydrogen 3.023 N/A GLN 5.A NE2 ASP 2.A OD1 no hydrogen 3.008 N/A LEU 6.A N ASP 2.A O no hydrogen 3.327 N/A VAL 7.A N ARG 3.A O no hydrogen 3.048 N/A GLN 8.A N GLU 4.A O no hydrogen 2.978 N/A GLN 8.A NE2 GLN 8.A O no hydrogen 3.440 N/A LYS 9.A N GLN 5.A O no hydrogen 2.869 N/A ALA 10.A N LEU 6.A O no hydrogen 3.090 N/A ARG 11.A N VAL 7.A O no hydrogen 3.104 N/A ARG 11.A NE GLU 39.A OE1 no hydrogen 3.402 N/A ARG 11.A NE GLU 39.A OE2 no hydrogen 2.729 N/A ARG 11.A NH1 GLN 8.A OE1 no hydrogen 2.741 N/A ARG 11.A NH2 GLU 39.A OE1 no hydrogen 2.699 N/A LEU 12.A N GLN 8.A O no hydrogen 3.007 N/A ALA 13.A N LYS 9.A O no hydrogen 2.850 N/A GLU 14.A N ALA 10.A O no hydrogen 2.967 N/A GLN 15.A N ARG 11.A O no hydrogen 3.415 N/A ALA 16.A N LEU 12.A O no hydrogen 2.899 N/A GLU 17.A N GLU 14.A O no hydrogen 3.178 N/A ARG 18.A N ALA 13.A O no hydrogen 2.885 N/A ARG 18.A NE ASP 21.A OD2 no hydrogen 2.933 N/A ARG 18.A NH2 ASP 21.A OD2 no hydrogen 3.193 N/A MET 22.A N ARG 18.A O no hydrogen 3.071 N/A ALA 23.A N TYR 19.A O no hydrogen 2.883 N/A ALA 24.A N ASP 20.A O no hydrogen 2.969 N/A ALA 25.A N ASP 21.A O no hydrogen 3.120 N/A MET 26.A N MET 22.A O no hydrogen 3.032 N/A LYS 27.A N ALA 23.A O no hydrogen 2.852 N/A LYS 27.A NZ ASP 98.A OD1 no hydrogen 3.187 N/A ASN 28.A N ALA 24.A O no hydrogen 3.188 N/A VAL 29.A N ALA 25.A O no hydrogen 3.151 N/A THR 30.A N MET 26.A O no hydrogen 3.023 N/A THR 30.A OG1 MET 26.A O no hydrogen 2.869 N/A GLU 31.A N LYS 27.A O no hydrogen 2.892 N/A LEU 32.A N VAL 29.A O no hydrogen 3.129 N/A ASN 33.A N THR 30.A O no hydrogen 3.127 N/A SER 37.A N GLU 40.A OE1 no hydrogen 2.915 N/A GLU 40.A N SER 37.A OG no hydrogen 3.225 N/A ARG 41.A N SER 37.A O no hydrogen 2.782 N/A ARG 41.A NH1 ASN 38.A OD1 no hydrogen 2.819 N/A ASN 42.A N ASN 38.A O no hydrogen 3.133 N/A ASN 42.A ND2 ASN 38.A O no hydrogen 2.801 N/A LEU 43.A N GLU 39.A O no hydrogen 2.934 N/A LEU 44.A N GLU 40.A O no hydrogen 3.064 N/A SER 45.A N ARG 41.A O no hydrogen 3.184 N/A VAL 46.A N ASN 42.A O no hydrogen 2.877 N/A ALA 47.A N LEU 43.A O no hydrogen 3.051 N/A TYR 48.A N LEU 44.A O no hydrogen 3.119 N/A TYR 48.A OH ASP 98.A OD2 no hydrogen 2.692 N/A LYS 49.A N SER 45.A O no hydrogen 2.875 N/A ASN 50.A N VAL 46.A O no hydrogen 3.067 N/A VAL 51.A N ALA 47.A O no hydrogen 3.106 N/A VAL 52.A N TYR 48.A O no hydrogen 2.929 N/A GLY 53.A N LYS 49.A O no hydrogen 2.815 N/A ALA 54.A N ASN 50.A O no hydrogen 3.122 N/A ARG 55.A NE GLU 91.A OE1 no hydrogen 3.174 N/A ARG 55.A NH1 VAL 51.A O no hydrogen 3.158 N/A ARG 55.A NH2 GLU 91.A OE1 no hydrogen 3.543 N/A ARG 56.A N VAL 52.A O no hydrogen 2.863 N/A ARG 56.A NE GLU 135.A OE1 no hydrogen 3.082 N/A ARG 56.A NH2 GLU 135.A OE1 no hydrogen 3.325 N/A ARG 56.A NH2 GLU 135.A OE2 no hydrogen 3.261 N/A SER 57.A N GLY 53.A O no hydrogen 2.907 N/A SER 58.A N ALA 54.A O no hydrogen 3.118 N/A SER 58.A OG ALA 54.A O no hydrogen 2.930 N/A TRP 59.A N ARG 55.A O no hydrogen 2.805 N/A TRP 59.A NE1 GLU 89.A OE2 no hydrogen 2.888 N/A ARG 60.A N ARG 56.A O no hydrogen 3.027 N/A VAL 61.A N SER 57.A O no hydrogen 3.156 N/A ILE 62.A N SER 58.A O no hydrogen 2.931 N/A SER 63.A N TRP 59.A O no hydrogen 2.820 N/A SER 63.A OG TRP 59.A O no hydrogen 2.999 N/A SER 64.A N ARG 60.A O no hydrogen 3.019 N/A ILE 65.A N VAL 61.A O no hydrogen 3.110 N/A GLU 66.A N ILE 62.A O no hydrogen 2.787 N/A GLN 67.A N SER 63.A O no hydrogen 3.017 N/A LYS 68.A N SER 64.A O no hydrogen 3.314 N/A THR 69.A N ILE 65.A O no hydrogen 2.739 N/A SER 70.A N GLU 66.A O no hydrogen 3.029 N/A LYS 77.A N ASN 74.A OD1 no hydrogen 3.308 N/A ILE 78.A N ASN 74.A O no hydrogen 2.924 N/A GLU 79.A N GLU 75.A O no hydrogen 3.440 N/A MET 80.A N LYS 76.A O no hydrogen 3.396 N/A VAL 81.A N LYS 77.A O no hydrogen 2.940 N/A ARG 82.A N ILE 78.A O no hydrogen 2.844 N/A ARG 82.A NE GLU 86.A OE1 no hydrogen 2.902 N/A ARG 82.A NE GLU 86.A OE2 no hydrogen 3.131 N/A ARG 82.A NH1 GLU 86.A OE1 no hydrogen 2.916 N/A ALA 83.A N GLU 79.A O no hydrogen 2.772 N/A TYR 84.A N MET 80.A O no hydrogen 3.043 N/A ARG 85.A N VAL 81.A O no hydrogen 2.892 N/A ARG 85.A NE GLU 66.A OE1 no hydrogen 2.889 N/A ARG 85.A NH1 GLU 89.A OE2 no hydrogen 3.189 N/A ARG 85.A NH2 GLU 66.A OE1 no hydrogen 3.395 N/A ARG 85.A NH2 GLU 66.A OE2 no hydrogen 2.835 N/A GLU 86.A N ARG 82.A O no hydrogen 3.001 N/A LYS 87.A N ALA 83.A O no hydrogen 2.916 N/A ILE 88.A N TYR 84.A O no hydrogen 3.089 N/A GLU 89.A N ARG 85.A O no hydrogen 2.845 N/A LYS 90.A N GLU 86.A O no hydrogen 2.985 N/A GLU 91.A N LYS 87.A O no hydrogen 3.207 N/A LEU 92.A N ILE 88.A O no hydrogen 2.891 N/A GLU 93.A N GLU 89.A O no hydrogen 2.865 N/A ALA 94.A N LYS 90.A O no hydrogen 3.053 N/A VAL 95.A N GLU 91.A O no hydrogen 3.133 N/A CYS 96.A N LEU 92.A O no hydrogen 3.006 N/A CYS 96.A SG LEU 92.A O no hydrogen 3.468 N/A CYS 96.A SG TYR 129.A O no hydrogen 3.655 N/A GLN 97.A N GLU 93.A O no hydrogen 2.895 N/A ASP 98.A N ALA 94.A O no hydrogen 2.983 N/A VAL 99.A N VAL 95.A O no hydrogen 3.027 N/A LEU 100.A N CYS 96.A O no hydrogen 2.826 N/A SER 101.A N GLN 97.A O no hydrogen 2.990 N/A SER 101.A OG GLN 97.A O no hydrogen 3.191 N/A SER 101.A OG ASP 98.A O no hydrogen 2.785 N/A LEU 102.A N ASP 98.A O no hydrogen 3.346 N/A LEU 103.A N VAL 99.A O no hydrogen 2.949 N/A ASP 104.A N LEU 100.A O no hydrogen 2.921 N/A ASN 105.A N SER 101.A O no hydrogen 2.804 N/A TYR 106.A N LEU 102.A O no hydrogen 2.987 N/A LEU 107.A N LEU 102.A O no hydrogen 3.005 N/A ILE 108.A N LEU 103.A O no hydrogen 2.787 N/A ASN 110.A N TYR 106.A O no hydrogen 3.189 N/A ASN 110.A ND2 ASN 33.A OD1 no hydrogen 3.008 N/A CYS 111.A N ILE 108.A O no hydrogen 3.191 N/A CYS 111.A SG LEU 107.A O no hydrogen 3.398 N/A SER 112.A N GLN 115.A OE1 no hydrogen 2.713 N/A SER 112.A OG THR 114.A OG1 no hydrogen 3.200 N/A THR 114.A OG1 SER 112.A OG no hydrogen 3.200 N/A GLN 115.A N SER 112.A O no hydrogen 2.995 N/A TYR 116.A N THR 114.A O no hydrogen 2.958 N/A LYS 119.A N GLN 115.A O no hydrogen 3.169 N/A VAL 120.A N TYR 116.A O no hydrogen 2.969 N/A PHE 121.A N GLU 117.A O no hydrogen 2.919 N/A TYR 122.A N SER 118.A O no hydrogen 2.890 N/A LEU 123.A N LYS 119.A O no hydrogen 2.990 N/A LYS 124.A N VAL 120.A O no hydrogen 2.826 N/A LYS 124.A NZ ASP 128.A OD2 no hydrogen 3.271 N/A MET 125.A N PHE 121.A O no hydrogen 3.047 N/A LYS 126.A N TYR 122.A O no hydrogen 2.858 N/A LYS 126.A NZ ASP 104.A OD1 no hydrogen 2.743 N/A GLY 127.A N LEU 123.A O no hydrogen 2.909 N/A ASP 128.A N LYS 124.A O no hydrogen 2.856 N/A TYR 129.A N MET 125.A O no hydrogen 2.915 N/A TYR 130.A N LYS 126.A O no hydrogen 3.179 N/A ARG 131.A N GLY 127.A O no hydrogen 2.996 N/A ARG 131.A NE TYR 153.A OH no hydrogen 2.866 N/A ARG 131.A NH2 ASP 128.A OD1 no hydrogen 3.089 N/A TYR 132.A N ASP 128.A O no hydrogen 2.871 N/A LEU 133.A N TYR 129.A O no hydrogen 3.114 N/A ALA 134.A N TYR 130.A O no hydrogen 2.912 N/A GLU 135.A N ARG 131.A O no hydrogen 3.000 N/A VAL 136.A N LEU 133.A O no hydrogen 3.341 N/A ALA 137.A N LEU 133.A O no hydrogen 3.078 N/A ALA 137.A N ALA 134.A O no hydrogen 3.158 N/A LYS 141.A NZ GLU 93.A OE1 no hydrogen 3.307 N/A LYS 141.A NZ GLU 93.A OE2 no hydrogen 3.076 N/A ARG 142.A N THR 138.A O no hydrogen 3.186 N/A ARG 142.A NH2 ILE 185.A O no hydrogen 2.764 N/A ALA 143.A N GLY 139.A O no hydrogen 3.258 N/A THR 144.A N GLU 140.A O no hydrogen 3.145 N/A THR 144.A OG1 GLU 140.A O no hydrogen 2.939 N/A VAL 145.A N LYS 141.A O no hydrogen 3.318 N/A VAL 146.A N ARG 142.A O no hydrogen 2.968 N/A GLU 147.A N ALA 143.A O no hydrogen 3.130 N/A SER 148.A N THR 144.A O no hydrogen 3.073 N/A SER 148.A OG THR 144.A O no hydrogen 3.313 N/A SER 149.A N VAL 145.A O no hydrogen 2.920 N/A SER 149.A OG GLY 127.A O no hydrogen 2.808 N/A GLU 150.A N VAL 146.A O no hydrogen 2.985 N/A LYS 151.A N GLU 147.A O no hydrogen 2.994 N/A ALA 152.A N SER 148.A O no hydrogen 3.084 N/A TYR 153.A N SER 149.A O no hydrogen 2.974 N/A TYR 153.A OH ASP 128.A OD1 no hydrogen 2.653 N/A SER 154.A N GLU 150.A O no hydrogen 2.797 N/A GLU 155.A N LYS 151.A O no hydrogen 3.244 N/A ALA 156.A N ALA 152.A O no hydrogen 3.113 N/A HIS 157.A N TYR 153.A O no hydrogen 2.851 N/A GLU 158.A N SER 154.A O no hydrogen 3.095 N/A ILE 159.A N GLU 155.A O no hydrogen 3.166 N/A SER 160.A N ALA 156.A O no hydrogen 2.969 N/A SER 160.A OG ALA 156.A O no hydrogen 3.289 N/A SER 160.A OG HIS 157.A O no hydrogen 3.082 N/A LYS 161.A N HIS 157.A O no hydrogen 3.048 N/A GLU 162.A N GLU 158.A O no hydrogen 3.314 N/A HIS 163.A N ILE 159.A O no hydrogen 2.877 N/A MET 164.A N SER 160.A O no hydrogen 2.878 N/A HIS 168.A N GLN 165.A O no hydrogen 2.945 N/A ILE 170.A N HIS 168.A ND1 no hydrogen 3.074 N/A ARG 171.A NH1 MET 164.A O no hydrogen 2.822 N/A LEU 172.A N HIS 168.A O no hydrogen 2.940 N/A GLY 173.A N PRO 169.A O no hydrogen 2.791 N/A LEU 174.A N ILE 170.A O no hydrogen 3.010 N/A ALA 175.A N ARG 171.A O no hydrogen 3.127 N/A LEU 176.A N LEU 172.A O no hydrogen 2.921 N/A ASN 177.A N GLY 173.A O no hydrogen 3.170 N/A ASN 177.A ND2 ASP 128.A OD1 no hydrogen 2.792 N/A ASN 177.A ND2 ASP 128.A OD2 no hydrogen 3.376 N/A TYR 178.A N LEU 174.A O no hydrogen 2.813 N/A TYR 178.A OH GLU 150.A OE2 no hydrogen 2.674 N/A SER 179.A N ALA 175.A O no hydrogen 3.053 N/A SER 179.A OG ALA 175.A O no hydrogen 2.985 N/A SER 179.A OG LEU 176.A O no hydrogen 2.736 N/A VAL 180.A N LEU 176.A O no hydrogen 3.128 N/A PHE 181.A N ASN 177.A O no hydrogen 2.902 N/A TYR 182.A N TYR 178.A O no hydrogen 3.041 N/A TYR 183.A N SER 179.A O no hydrogen 3.025 N/A GLU 184.A N VAL 180.A O no hydrogen 2.806 N/A ILE 185.A N PHE 181.A O no hydrogen 2.947 N/A GLN 186.A N PHE 181.A O no hydrogen 3.010 N/A GLN 186.A NE2 GLU 150.A OE1 no hydrogen 3.381 N/A ALA 188.A N TYR 182.A O no hydrogen 2.783 N/A ALA 192.A N ALA 188.A O no hydrogen 3.044 N/A CYS 193.A N PRO 189.A O no hydrogen 2.875 N/A CYS 193.A SG PRO 189.A O no hydrogen 3.351 N/A HIS 194.A N GLU 190.A O no hydrogen 3.054 N/A LEU 195.A N GLN 191.A O no hydrogen 3.070 N/A ALA 196.A N ALA 192.A O no hydrogen 3.095 N/A LYS 197.A N CYS 193.A O no hydrogen 2.829 N/A THR 198.A N HIS 194.A O no hydrogen 2.934 N/A THR 198.A OG1 HIS 194.A O no hydrogen 2.629 N/A ALA 199.A N LEU 195.A O no hydrogen 3.121 N/A PHE 200.A N ALA 196.A O no hydrogen 3.144 N/A ASP 201.A N LYS 197.A O no hydrogen 2.776 N/A ASP 202.A N THR 198.A O no hydrogen 2.813 N/A ALA 203.A N ALA 199.A O no hydrogen 3.209 N/A ILE 204.A N PHE 200.A O no hydrogen 2.897 N/A ALA 205.A N ASP 201.A O no hydrogen 2.930 N/A GLU 206.A N ASP 202.A O no hydrogen 3.322 N/A THR 209.A N GLU 206.A O no hydrogen 2.894 N/A LEU 210.A N LEU 207.A O no hydrogen 3.066 N/A ASP 213.A N ASN 211.A OD1 no hydrogen 3.061 N/A SER 214.A N ASN 211.A O no hydrogen 3.037 N/A SER 218.A N SER 214.A O no hydrogen 3.185 N/A SER 218.A OG THR 167.A O no hydrogen 2.686 N/A SER 218.A OG SER 214.A O no hydrogen 3.062 N/A THR 219.A N TYR 215.A O no hydrogen 3.056 N/A THR 219.A OG1 TYR 215.A O no hydrogen 3.018 N/A THR 219.A OG1 LYS 216.A O no hydrogen 3.101 N/A LEU 220.A N LYS 216.A O no hydrogen 3.117 N/A ILE 221.A N ASP 217.A O no hydrogen 3.438 N/A MET 222.A N SER 218.A O no hydrogen 2.991 N/A GLN 223.A N THR 219.A O no hydrogen 2.953 N/A LEU 224.A N LEU 220.A O no hydrogen 3.403 N/A LEU 225.A N ILE 221.A O no hydrogen 2.840 N/A ARG 226.A N MET 222.A O no hydrogen 3.107 N/A ASP 227.A N GLN 223.A O no hydrogen 2.812 N/A ASN 228.A N LEU 224.A O no hydrogen 2.933 N/A LEU 229.A N LEU 225.A O no hydrogen 3.179 N/A THR 230.A N ARG 226.A O no hydrogen 2.801 N/A THR 230.A OG1 ARG 226.A O no hydrogen 2.706 N/A LEU 231.A N ASP 227.A O no hydrogen 3.062 N/A TRP 232.A N ASN 228.A O no hydrogen 2.835 N/A THR 233.A N LEU 229.A O no hydrogen 2.874 N/A THR 233.A OG1 LEU 229.A O no hydrogen 2.667 N/A THR 233.A OG1 THR 230.A O no hydrogen 3.502 N/A SER 234.A N LEU 231.A O no hydrogen 3.253 N/A ASP 235.A N LEU 231.A O no hydrogen 3.084 N/A