Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6r3s_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N LYS 2.A O no hydrogen 2.975 N/A ASN 7.A N MET 4.A O no hydrogen 3.078 N/A GLN 10.A N.A ASN 7.A O no hydrogen 3.051 N/A GLN 10.A N.B ASN 7.A O no hydrogen 3.039 N/A SER 11.A N PHE 8.A O no hydrogen 3.001 N/A SER 11.A OG PHE 8.A O no hydrogen 2.601 N/A TYR 14.A N SER 11.A OG no hydrogen 3.144 N/A LEU 15.A N SER 11.A O no hydrogen 2.992 N/A GLN 16.A N SER 12.A O no hydrogen 2.863 N/A GLN 16.A NE2 ASP 150.A OD2 no hydrogen 2.864 N/A TRP 17.A N HIS 13.A O no hydrogen 2.784 N/A LEU 19.A N LEU 193.A O no hydrogen 2.786 N/A LEU 24.A N ASP 20.A O no hydrogen 3.085 N/A LEU 25.A N LYS 21.A O no hydrogen 3.026 N/A LYS 26.A N GLN 22.A O no hydrogen 2.986 N/A GLU 27.A N ASP 23.A O no hydrogen 3.283 N/A ARG 28.A N LEU 24.A O no hydrogen 3.071 N/A ARG 28.A NH1 ASP 190.A OD2 no hydrogen 3.119 N/A ARG 28.A NH2 ASP 190.A OD1 no hydrogen 3.139 N/A ARG 28.A NH2 ASP 190.A OD2 no hydrogen 3.153 N/A GLN 29.A N LEU 25.A O no hydrogen 3.211 N/A GLN 29.A N LYS 26.A O no hydrogen 3.307 N/A GLN 29.A NE2 LEU 25.A O no hydrogen 3.116 N/A LYS 30.A NZ GLU 27.A O no hydrogen 2.768 N/A LYS 30.A NZ GLU 27.A OE1 no hydrogen 2.960 N/A LYS 30.A NZ ARG 78.A O no hydrogen 3.198 N/A LEU 32.A N ARG 28.A O no hydrogen 3.073 N/A PHE 34.A N ASP 31.A O no hydrogen 3.238 N/A LEU 35.A N ASP 31.A O no hydrogen 3.153 N/A SER 36.A N GLU 39.A OE1 no hydrogen 2.958 N/A GLU 39.A N SER 36.A OG no hydrogen 3.229 N/A TYR 40.A N SER 36.A O no hydrogen 2.916 N/A TRP 41.A N GLU 37.A O no hydrogen 3.108 N/A LYS 42.A N GLU 38.A O no hydrogen 2.993 N/A LYS 42.A NZ GLU 38.A OE2 no hydrogen 3.261 N/A LYS 42.A NZ GLU 252.A OE1 no hydrogen 2.756 N/A LEU 43.A N GLU 39.A O no hydrogen 3.038 N/A GLN 44.A N TYR 40.A O no hydrogen 3.144 N/A GLN 44.A NE2 ASP 190.A OD1 no hydrogen 2.897 N/A ILE 45.A N TRP 41.A O no hydrogen 3.133 N/A PHE 46.A N LYS 42.A O no hydrogen 2.948 N/A PHE 47.A N LEU 43.A O no hydrogen 3.033 N/A THR 48.A N GLN 44.A O no hydrogen 3.015 N/A THR 48.A OG1 GLN 44.A O no hydrogen 2.849 N/A THR 48.A OG1 TYR 187.A O no hydrogen 3.076 N/A ASN 49.A N ILE 45.A O no hydrogen 3.056 N/A ASN 49.A ND2 GLU 249.A OE1 no hydrogen 3.028 N/A VAL 50.A N PHE 46.A O no hydrogen 2.932 N/A ILE 51.A N PHE 47.A O no hydrogen 2.993 N/A GLN 52.A N THR 48.A O no hydrogen 2.951 N/A GLN 52.A NE2 GLU 56.A OE2 no hydrogen 2.858 N/A GLN 52.A NE2 GLN 62.A OE1 no hydrogen 3.413 N/A ALA 53.A N ASN 49.A O no hydrogen 2.981 N/A LEU 54.A N VAL 50.A O no hydrogen 2.969 N/A GLY 55.A N ILE 51.A O no hydrogen 2.967 N/A GLU 56.A N GLN 52.A O no hydrogen 2.890 N/A HIS 57.A N ALA 53.A O no hydrogen 2.944 N/A LEU 58.A N LEU 54.A O no hydrogen 3.059 N/A LYS 59.A N GLU 56.A O no hydrogen 3.052 N/A LEU 60.A N GLY 55.A O no hydrogen 2.959 N/A ARG 61.A NH2 GLU 101.A OE1 no hydrogen 3.317 N/A GLN 62.A NE2 GLN 52.A OE1 no hydrogen 3.134 N/A GLN 63.A N GLN 63.A OE1 no hydrogen 2.826 N/A VAL 64.A N ARG 61.A O no hydrogen 2.904 N/A ILE 65.A N ARG 61.A O no hydrogen 3.264 N/A ALA 66.A N GLN 62.A O no hydrogen 2.875 N/A THR 67.A N GLN 63.A O no hydrogen 3.019 N/A THR 67.A OG1 GLN 63.A O no hydrogen 3.062 N/A THR 67.A OG1 HIS 157.A NE2 no hydrogen 2.832 N/A ALA 68.A N VAL 64.A O no hydrogen 3.020 N/A THR 69.A N ILE 65.A O no hydrogen 2.958 N/A THR 69.A OG1 ILE 65.A O no hydrogen 2.728 N/A VAL 70.A N ALA 66.A O no hydrogen 2.927 N/A TYR 71.A N THR 67.A O no hydrogen 2.990 N/A TYR 71.A OH LEU 153.A O no hydrogen 2.645 N/A PHE 72.A N ALA 68.A O no hydrogen 3.121 N/A LYS 73.A N THR 69.A O no hydrogen 3.024 N/A LYS 73.A NZ TYR 187.A O no hydrogen 2.898 N/A LYS 73.A NZ THR 189.A O no hydrogen 2.756 N/A ARG 74.A N VAL 70.A O no hydrogen 2.884 N/A ARG 74.A NH1 CYS 152.A O no hydrogen 3.012 N/A PHE 75.A N TYR 71.A O no hydrogen 3.062 N/A TYR 76.A N PHE 72.A O no hydrogen 3.220 N/A TYR 76.A OH ILE 84.A O no hydrogen 2.652 N/A ALA 77.A N LYS 73.A O no hydrogen 2.823 N/A ARG 78.A N PHE 75.A O no hydrogen 3.214 N/A TYR 79.A N PHE 75.A O no hydrogen 2.896 N/A SER 80.A OG ASP 31.A OD1 no hydrogen 2.569 N/A LEU 81.A N ASP 31.A OD2 no hydrogen 2.893 N/A LYS 82.A N SER 80.A OG no hydrogen 3.188 N/A SER 83.A N SER 80.A O no hydrogen 3.097 N/A SER 83.A OG SER 80.A O no hydrogen 2.664 N/A VAL 87.A N ASP 85.A OD1 no hydrogen 3.144 N/A LEU 88.A N ASP 85.A O no hydrogen 2.954 N/A MET 89.A N ASP 85.A O no hydrogen 3.034 N/A ALA 90.A N PRO 86.A O no hydrogen 3.035 N/A THR 92.A N LEU 88.A O no hydrogen 3.326 N/A THR 92.A OG1 LEU 88.A O no hydrogen 2.724 N/A CYS 93.A N MET 89.A O no hydrogen 2.754 N/A CYS 93.A SG MET 89.A O no hydrogen 3.295 N/A VAL 94.A N ALA 90.A O no hydrogen 3.128 N/A PHE 95.A N PRO 91.A O no hydrogen 2.886 N/A LEU 96.A N THR 92.A O no hydrogen 3.003 N/A ALA 97.A N CYS 93.A O no hydrogen 2.980 N/A SER 98.A N VAL 94.A O no hydrogen 2.921 N/A SER 98.A OG VAL 94.A O no hydrogen 3.559 N/A SER 98.A OG PHE 95.A O no hydrogen 2.700 N/A LYS 99.A N PHE 95.A O no hydrogen 3.312 N/A LYS 99.A N LEU 96.A O no hydrogen 3.122 N/A LYS 99.A NZ GLU 142.A OE1 no hydrogen 3.276 N/A LYS 99.A NZ GLU 142.A OE2 no hydrogen 2.567 N/A VAL 100.A N ALA 97.A O no hydrogen 3.226 N/A GLU 101.A N SER 98.A O no hydrogen 3.299 N/A ARG 110.A N SER 107.A OG no hydrogen 3.176 N/A LEU 111.A N SER 107.A O no hydrogen 2.988 N/A ILE 112.A N ASN 108.A O no hydrogen 3.110 N/A ALA 113.A N THR 109.A O no hydrogen 2.915 N/A ALA 114.A N ARG 110.A O no hydrogen 2.991 N/A ALA 115.A N LEU 111.A O no hydrogen 3.022 N/A THR 116.A N ILE 112.A O no hydrogen 2.857 N/A THR 116.A OG1 ILE 112.A O no hydrogen 2.811 N/A SER 117.A N ALA 113.A O no hydrogen 2.903 N/A VAL 118.A N ALA 114.A O no hydrogen 2.998 N/A LEU 119.A N ALA 115.A O no hydrogen 3.247 N/A LYS 120.A N THR 116.A O no hydrogen 3.241 N/A THR 121.A N SER 117.A O no hydrogen 2.983 N/A THR 121.A OG1 SER 117.A O no hydrogen 2.962 N/A ARG 122.A N VAL 118.A O no hydrogen 2.996 N/A ARG 122.A NH1 GLU 56.A OE1 no hydrogen 2.900 N/A PHE 123.A N LEU 119.A O no hydrogen 3.187 N/A ALA 126.A N PHE 123.A O no hydrogen 3.035 N/A PHE 127.A N PHE 123.A O no hydrogen 2.982 N/A TYR 133.A OH ASP 85.A OD2 no hydrogen 2.522 N/A HIS 137.A N ARG 134.A O no hydrogen 3.116 N/A LEU 139.A N MET 135.A O no hydrogen 3.064 N/A GLU 140.A N ASN 136.A O no hydrogen 3.069 N/A CYS 141.A N HIS 137.A O no hydrogen 2.957 N/A CYS 141.A SG THR 92.A OG1 no hydrogen 3.628 N/A GLU 142.A N ILE 138.A O no hydrogen 2.824 N/A PHE 143.A N LEU 139.A O no hydrogen 3.440 N/A TYR 144.A N GLU 140.A O no hydrogen 3.428 N/A LEU 145.A N CYS 141.A O no hydrogen 2.929 N/A LEU 146.A N GLU 142.A O no hydrogen 2.974 N/A GLU 147.A N PHE 143.A O no hydrogen 3.119 N/A LEU 148.A N TYR 144.A O no hydrogen 3.002 N/A MET 149.A N LEU 145.A O no hydrogen 2.986 N/A ASP 150.A N GLU 147.A O no hydrogen 3.061 N/A CYS 151.A N LEU 146.A O no hydrogen 2.984 N/A CYS 152.A N MET 149.A O no hydrogen 3.020 N/A CYS 152.A SG SER 12.A OG no hydrogen 3.558 N/A CYS 152.A SG MET 149.A O no hydrogen 3.328 N/A CYS 152.A SG ASP 150.A O no hydrogen 3.616 N/A TYR 156.A N HIS 13.A ND1 no hydrogen 3.321 N/A TYR 156.A OH MET 4.A O no hydrogen 2.620 N/A HIS 157.A ND1 TYR 187.A OH no hydrogen 2.809 N/A HIS 157.A NE2 THR 67.A OG1 no hydrogen 2.832 N/A TYR 159.A OH ASN 184.A OD1 no hydrogen 2.483 N/A LEU 162.A N PRO 158.A O no hydrogen 2.919 N/A LEU 163.A N TYR 159.A O no hydrogen 3.063 N/A GLN 164.A N ARG 160.A O no hydrogen 3.201 N/A TYR 165.A N PRO 161.A O no hydrogen 2.842 N/A VAL 166.A N LEU 162.A O no hydrogen 2.950 N/A GLN 167.A N LEU 163.A O no hydrogen 3.196 N/A ASP 168.A N GLN 164.A O no hydrogen 2.892 N/A MET 169.A N TYR 165.A O no hydrogen 2.929 N/A GLY 170.A N GLN 167.A O no hydrogen 3.262 N/A GLN 171.A N VAL 166.A O no hydrogen 3.154 N/A LEU 175.A N GLN 171.A O no hydrogen 3.038 N/A LEU 176.A N GLU 172.A O no hydrogen 3.134 N/A ALA 179.A N LEU 175.A O no hydrogen 2.923 N/A TRP 180.A N LEU 176.A O no hydrogen 2.793 N/A ARG 181.A N PRO 177.A O no hydrogen 3.168 N/A ARG 181.A NE ASP 185.A OD2 no hydrogen 2.732 N/A ARG 181.A NH2 ASP 185.A OD2 no hydrogen 3.186 N/A ILE 182.A N LEU 178.A O no hydrogen 2.917 N/A VAL 183.A N ALA 179.A O no hydrogen 2.940 N/A ASN 184.A N TRP 180.A O no hydrogen 3.005 N/A ASP 185.A N ARG 181.A O no hydrogen 3.064 N/A THR 186.A N ILE 182.A O no hydrogen 3.103 N/A THR 186.A N VAL 183.A O no hydrogen 3.149 N/A THR 186.A OG1 VAL 183.A O no hydrogen 2.514 N/A TYR 187.A N ASN 184.A O no hydrogen 3.205 N/A TYR 187.A OH HIS 157.A ND1 no hydrogen 2.809 N/A ARG 188.A N ASP 185.A O no hydrogen 2.936 N/A THR 189.A N THR 186.A O no hydrogen 3.017 N/A THR 189.A OG1 THR 186.A O no hydrogen 2.641 N/A LEU 191.A N THR 189.A OG1 no hydrogen 3.208 N/A LEU 193.A N ASP 190.A O no hydrogen 2.890 N/A LEU 194.A N LEU 191.A O no hydrogen 2.999 N/A TYR 195.A N LEU 191.A O no hydrogen 3.113 N/A TYR 195.A OH GLU 232.A OE1 no hydrogen 2.591 N/A MET 199.A N PRO 196.A O no hydrogen 3.149 N/A ILE 200.A N PRO 196.A O no hydrogen 3.409 N/A ALA 201.A N PRO 197.A O no hydrogen 2.834 N/A LEU 202.A N PHE 198.A O no hydrogen 3.011 N/A ALA 203.A N MET 199.A O no hydrogen 3.084 N/A CYS 204.A N ILE 200.A O no hydrogen 3.031 N/A CYS 204.A SG ILE 200.A O no hydrogen 3.199 N/A LEU 205.A N ALA 201.A O no hydrogen 2.972 N/A HIS 206.A N LEU 202.A O no hydrogen 2.952 N/A VAL 207.A N ALA 203.A O no hydrogen 2.975 N/A ALA 208.A N CYS 204.A O no hydrogen 2.933 N/A CYS 209.A N LEU 205.A O no hydrogen 3.009 N/A CYS 209.A SG LEU 205.A O no hydrogen 3.274 N/A VAL 210.A N HIS 206.A O no hydrogen 2.999 N/A VAL 211.A N VAL 207.A O no hydrogen 2.870 N/A GLN 212.A N ALA 208.A O no hydrogen 3.089 N/A GLN 212.A NE2 MET 174.A O no hydrogen 3.189 N/A GLN 213.A N VAL 210.A O no hydrogen 3.263 N/A LYS 214.A N CYS 209.A O no hydrogen 2.839 N/A LYS 214.A NZ ASP 215.A O no hydrogen 3.532 N/A ARG 217.A N ASP 215.A OD1 no hydrogen 3.296 N/A ARG 217.A NE ASP 215.A OD1 no hydrogen 3.168 N/A ARG 217.A NH2 ASP 215.A OD2 no hydrogen 3.463 N/A TRP 219.A NE1 ASP 168.A OD2 no hydrogen 2.741 N/A PHE 220.A N ALA 216.A O no hydrogen 2.986 N/A ALA 221.A N ARG 217.A O no hydrogen 2.961 N/A GLU 222.A N GLN 218.A O no hydrogen 3.001 N/A LEU 223.A N PHE 220.A O no hydrogen 3.075 N/A GLU 228.A N ASP 226.A OD1 no hydrogen 3.256 N/A ILE 230.A N ASP 226.A O no hydrogen 3.356 N/A LEU 231.A N MET 227.A O no hydrogen 2.934 N/A GLU 232.A N GLU 228.A O no hydrogen 2.970 N/A ILE 233.A N LYS 229.A O no hydrogen 3.155 N/A ILE 234.A N ILE 230.A O no hydrogen 2.883 N/A ARG 235.A N LEU 231.A O no hydrogen 2.961 N/A VAL 236.A N GLU 232.A O no hydrogen 3.273 N/A ILE 237.A N ILE 233.A O no hydrogen 3.045 N/A LEU 238.A N ILE 234.A O no hydrogen 2.859 N/A LYS 239.A N ARG 235.A O no hydrogen 2.951 N/A LEU 240.A N VAL 236.A O no hydrogen 2.875 N/A TYR 241.A N ILE 237.A O no hydrogen 3.339 N/A TYR 241.A OH ASP 185.A OD2 no hydrogen 2.659 N/A GLN 243.A N LYS 239.A O no hydrogen 2.863 N/A TRP 244.A N LEU 240.A O no hydrogen 2.815 N/A LYS 245.A N TYR 241.A O no hydrogen 3.049 N/A ASN 246.A N GLU 242.A O no hydrogen 3.141 N/A PHE 247.A N TRP 244.A O no hydrogen 3.386 N/A ASP 248.A N GLU 252.A OE2 no hydrogen 3.078 N/A LYS 251.A N ASP 248.A OD1 no hydrogen 3.393 N/A LYS 251.A NZ ASP 248.A OD2 no hydrogen 2.994 N/A GLU 252.A N ASP 248.A O no hydrogen 3.057 N/A MET 253.A N GLU 249.A O no hydrogen 3.007 N/A ILE 256.A N GLU 252.A O no hydrogen 3.161 N/A LEU 257.A N MET 253.A O no hydrogen 2.807 N/A SER 258.A N ALA 254.A O no hydrogen 3.103 N/A SER 258.A OG THR 255.A O no hydrogen 2.540 N/A LYS 259.A N THR 255.A O no hydrogen 3.293 N/A LYS 259.A N ILE 256.A O no hydrogen 3.094 N/A LYS 259.A NZ GLU 39.A OE2 no hydrogen 2.784 N/A MET 260.A N LEU 257.A O no hydrogen 3.266 N/A