Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9dws_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N THR 4.A OG1 no hydrogen 3.262 N/A SER 1.A OG THR 3.A OG1 no hydrogen 3.169 N/A LEU 2.A N GLU 208.A OE1 no hydrogen 2.931 N/A THR 3.A OG1 SER 1.A OG no hydrogen 3.169 N/A THR 4.A OG1 SER 1.A O no hydrogen 3.155 N/A THR 8.A OG1 LYS 10.A O no hydrogen 2.412 N/A TYR 14.A N GLU 86.A OE2 no hydrogen 2.770 N/A TYR 14.A OH GLU 208.A OE2 no hydrogen 2.473 N/A ALA 17.A N TYR 14.A O no hydrogen 2.952 N/A ASP 19.A N PRO 15.A O no hydrogen 3.067 N/A LEU 20.A N TRP 16.A O no hydrogen 2.937 N/A THR 21.A N ALA 17.A O no hydrogen 3.017 N/A THR 21.A OG1 ALA 17.A O no hydrogen 2.612 N/A VAL 22.A N VAL 18.A O no hydrogen 2.846 N/A LYS 23.A N ASP 19.A O no hydrogen 3.047 N/A HIS 24.A N LEU 20.A O no hydrogen 2.837 N/A HIS 24.A ND1 SER 93.A OG no hydrogen 2.849 N/A HIS 24.A NE2 HIS 194.A NE2 no hydrogen 2.942 N/A GLU 25.A N THR 21.A O no hydrogen 2.852 N/A LYS 26.A N VAL 22.A O no hydrogen 3.055 N/A ALA 27.A N HIS 24.A O no hydrogen 3.289 N/A HIS 28.A N GLU 25.A O no hydrogen 3.217 N/A TRP 29.A NE1 ASP 190.A OD2 no hydrogen 2.717 N/A ILE 30.A N GLU 33.A OE2 no hydrogen 3.076 N/A GLU 31.A N GLU 31.A OE1 no hydrogen 2.678 N/A GLU 33.A N ILE 30.A O no hydrogen 3.102 N/A ILE 34.A N GLU 31.A O no hydrogen 3.505 N/A SER 37.A N ASP 35.A OD1 no hydrogen 2.888 N/A SER 37.A OG ASP 35.A OD1 no hydrogen 2.786 N/A ASP 39.A N LEU 36.A O no hydrogen 2.854 N/A VAL 40.A N LEU 36.A O no hydrogen 3.090 N/A THR 41.A N SER 37.A O no hydrogen 3.282 N/A THR 41.A OG1 GLU 38.A O no hydrogen 3.113 N/A ASP 42.A N GLU 38.A O no hydrogen 2.901 N/A TRP 43.A N ASP 39.A O no hydrogen 2.997 N/A TRP 43.A N VAL 40.A O no hydrogen 3.058 N/A LYS 44.A N VAL 40.A O no hydrogen 2.920 N/A ASN 45.A N THR 41.A O no hydrogen 3.048 N/A LYS 47.A NZ ASP 42.A OD1 no hydrogen 3.195 N/A THR 49.A N GLU 52.A OE2 no hydrogen 2.934 N/A GLU 52.A N THR 49.A OG1 no hydrogen 3.130 N/A LYS 53.A N THR 49.A O no hydrogen 2.864 N/A LYS 53.A NZ TRP 43.A O no hydrogen 2.878 N/A GLU 54.A N LYS 50.A O no hydrogen 3.260 N/A TYR 55.A N VAL 51.A O no hydrogen 3.165 N/A TYR 55.A OH GLY 243.A O no hydrogen 2.667 N/A ILE 56.A N GLU 52.A O no hydrogen 3.152 N/A THR 57.A N LYS 53.A O no hydrogen 2.827 N/A THR 57.A OG1 LYS 53.A O no hydrogen 3.002 N/A ASN 58.A N GLU 54.A O no hydrogen 2.851 N/A ASN 58.A ND2 GLU 54.A O no hydrogen 2.662 N/A ILE 59.A N TYR 55.A O no hydrogen 2.915 N/A LEU 60.A N ILE 56.A O no hydrogen 2.981 N/A ARG 61.A N THR 57.A O no hydrogen 3.071 N/A ARG 61.A NH1 TYR 119.A O no hydrogen 3.223 N/A LEU 62.A N ASN 58.A O no hydrogen 3.011 N/A PHE 63.A N ILE 59.A O no hydrogen 2.894 N/A THR 64.A N LEU 60.A O no hydrogen 2.951 N/A THR 64.A OG1 LEU 60.A O no hydrogen 3.200 N/A THR 64.A OG1 ARG 61.A O no hydrogen 3.363 N/A GLN 65.A N ARG 61.A O no hydrogen 3.118 N/A GLN 65.A NE2 GLU 118.A O no hydrogen 2.874 N/A SER 66.A N PHE 63.A O no hydrogen 3.406 N/A SER 66.A OG LEU 62.A O no hydrogen 2.942 N/A GLN 72.A N ALA 69.A O no hydrogen 3.456 N/A TYR 74.A OH GLU 157.A OE2 no hydrogen 3.216 N/A TYR 75.A N GLY 71.A O no hydrogen 2.863 N/A ASP 76.A N GLN 72.A O no hydrogen 2.838 N/A GLN 77.A N ASN 73.A O no hydrogen 3.003 N/A PHE 78.A N ASN 73.A O no hydrogen 3.168 N/A ILE 79.A N TYR 74.A O no hydrogen 2.802 N/A LEU 81.A N PHE 78.A O no hydrogen 3.095 N/A PHE 82.A N PHE 78.A O no hydrogen 2.820 N/A LYS 83.A NZ PRO 80.A O no hydrogen 3.509 N/A ASN 84.A N LEU 2.A O no hydrogen 3.232 N/A ASN 85.A N SER 6.A OG no hydrogen 3.381 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.857 N/A VAL 87.A N ASN 84.A OD1 no hydrogen 2.989 N/A ARG 88.A N ASN 84.A O no hydrogen 2.753 N/A ARG 88.A NE ILE 79.A O no hydrogen 3.225 N/A ARG 88.A NE PHE 82.A O no hydrogen 3.418 N/A ARG 88.A NH2 ILE 79.A O no hydrogen 2.832 N/A ASN 89.A N.A ASN 85.A O no hydrogen 2.867 N/A ASN 89.A N.B ASN 85.A O no hydrogen 2.895 N/A MET 90.A N GLU 86.A O no hydrogen 3.122 N/A LEU 91.A N VAL 87.A O no hydrogen 2.963 N/A GLY 92.A N ARG 88.A O no hydrogen 2.804 N/A SER 93.A N ASN 89.A O.A no hydrogen 2.794 N/A SER 93.A N ASN 89.A O.B no hydrogen 2.852 N/A SER 93.A OG HIS 24.A ND1 no hydrogen 2.849 N/A SER 93.A OG GLU 25.A OE2 no hydrogen 3.109 N/A PHE 94.A N MET 90.A O no hydrogen 2.882 N/A ALA 95.A N LEU 91.A O no hydrogen 2.915 N/A ALA 96.A N GLY 92.A O no hydrogen 3.033 N/A ARG 97.A N SER 93.A O no hydrogen 3.132 N/A ARG 97.A NH1 HIS 24.A O no hydrogen 3.112 N/A ARG 97.A NH1 ASP 190.A OD1 no hydrogen 2.775 N/A ARG 97.A NH2 HIS 24.A O no hydrogen 2.881 N/A GLU 98.A N PHE 94.A O no hydrogen 3.250 N/A GLU 98.A N ALA 95.A O no hydrogen 3.217 N/A GLY 99.A N ALA 96.A O no hydrogen 3.054 N/A ILE 100.A N ARG 97.A O no hydrogen 2.991 N/A HIS 101.A N ARG 97.A O no hydrogen 3.355 N/A HIS 101.A NE2 ASP 190.A OD2 no hydrogen 2.694 N/A GLN 102.A N GLU 98.A O no hydrogen 3.200 N/A GLN 102.A NE2 VAL 68.A O no hydrogen 2.993 N/A ARG 103.A N GLY 99.A O no hydrogen 3.160 N/A ARG 103.A NE GLU 31.A OE2 no hydrogen 3.338 N/A ALA 104.A N ILE 100.A O no hydrogen 2.824 N/A TYR 105.A N HIS 101.A O no hydrogen 3.007 N/A TYR 105.A OH SER 187.A OG no hydrogen 3.274 N/A ALA 106.A N GLN 102.A O no hydrogen 3.121 N/A LEU 107.A N ARG 103.A O no hydrogen 2.938 N/A LEU 108.A N ALA 104.A O no hydrogen 2.944 N/A ASN 109.A N TYR 105.A O no hydrogen 2.954 N/A ASP 110.A N ALA 106.A O no hydrogen 3.032 N/A THR 111.A N LEU 107.A O no hydrogen 2.907 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.540 N/A LEU 112.A N LEU 108.A O no hydrogen 3.037 N/A GLY 113.A N ASP 110.A O no hydrogen 3.190 N/A LEU 114.A N ASN 109.A O no hydrogen 3.061 N/A SER 117.A OG TYR 119.A O no hydrogen 3.380 N/A TYR 119.A N SER 117.A OG no hydrogen 3.063 N/A ALA 121.A N ASN 58.A OD1 no hydrogen 2.695 N/A PHE 122.A N HIS 120.A ND1 no hydrogen 3.023 N/A TYR 125.A OH GLU 232.A OE2 no hydrogen 2.686 N/A LYS 126.A N PHE 122.A O no hydrogen 3.143 N/A LYS 126.A NZ GLN 65.A O no hydrogen 3.018 N/A ALA 127.A N LEU 123.A O no hydrogen 2.948 N/A MET 128.A N GLU 124.A O no hydrogen 2.806 N/A THR 129.A N TYR 125.A O no hydrogen 2.828 N/A THR 129.A OG1 TYR 125.A O no hydrogen 2.913 N/A ASP 130.A N LYS 126.A O no hydrogen 2.963 N/A LYS 131.A N ALA 127.A O no hydrogen 2.943 N/A ILE 132.A N MET 128.A O no hydrogen 2.989 N/A ASP 133.A N THR 129.A O no hydrogen 3.016 N/A PHE 134.A N ASP 130.A O no hydrogen 2.897 N/A MET 135.A N LYS 131.A O no hydrogen 2.999 N/A MET 136.A N ILE 132.A O no hydrogen 3.040 N/A THR 141.A N ASP 139.A OD1 no hydrogen 3.056 N/A THR 141.A OG1 ASP 139.A OD1 no hydrogen 2.434 N/A THR 141.A OG1 ASP 139.A OD2 no hydrogen 3.242 N/A ARG 144.A NE ASP 214.A OD2 no hydrogen 2.861 N/A ARG 144.A NH1 GLU 220.A OE2 no hydrogen 3.276 N/A ARG 144.A NH2 ASP 214.A OD1 no hydrogen 2.967 N/A ARG 144.A NH2 ASP 214.A OD2 no hydrogen 3.547 N/A ARG 144.A NH2 GLU 220.A OE2 no hydrogen 3.191 N/A GLY 145.A N THR 142.A OG1 no hydrogen 2.847 N/A LEU 146.A N THR 142.A O no hydrogen 2.867 N/A GLY 147.A N ARG 143.A O no hydrogen 3.220 N/A LEU 148.A N ARG 144.A O no hydrogen 3.159 N/A CYS 149.A N GLY 145.A O no hydrogen 2.936 N/A CYS 149.A SG GLY 145.A O no hydrogen 3.267 N/A LEU 150.A N LEU 146.A O no hydrogen 3.014 N/A ALA 151.A N GLY 147.A O no hydrogen 3.154 N/A LYS 152.A N LEU 148.A O no hydrogen 2.917 N/A LYS 152.A NZ ASP 133.A OD1 no hydrogen 2.854 N/A THR 153.A N CYS 149.A O no hydrogen 3.083 N/A THR 153.A OG1 CYS 149.A O no hydrogen 3.331 N/A VAL 154.A N LEU 150.A O no hydrogen 3.242 N/A VAL 154.A N ALA 151.A O no hydrogen 3.206 N/A PHE 155.A N ALA 151.A O no hydrogen 3.422 N/A ASN 156.A N LYS 152.A O no hydrogen 2.930 N/A GLU 157.A N THR 153.A O no hydrogen 2.910 N/A GLY 158.A N VAL 154.A O no hydrogen 2.863 N/A VAL 159.A N PHE 155.A O no hydrogen 2.928 N/A ALA 160.A N PHE 155.A O no hydrogen 3.026 N/A LEU 161.A N GLU 232.A OE2 no hydrogen 3.178 N/A PHE 162.A N VAL 159.A O no hydrogen 2.976 N/A ALA 163.A N GLU 232.A OE1 no hydrogen 3.126 N/A SER 164.A OG LEU 161.A O no hydrogen 2.718 N/A PHE 165.A N LEU 161.A O no hydrogen 2.959 N/A ALA 166.A N PHE 162.A O no hydrogen 3.103 N/A MET 167.A N ALA 163.A O no hydrogen 3.335 N/A LEU 168.A N SER 164.A O no hydrogen 3.047 N/A LEU 169.A N PHE 165.A O no hydrogen 2.867 N/A ASN 170.A N ALA 166.A O no hydrogen 2.976 N/A ASN 170.A N MET 167.A O no hydrogen 3.269 N/A ASN 170.A ND2 GLU 246.A O no hydrogen 2.958 N/A PHE 171.A N LEU 168.A O no hydrogen 3.488 N/A GLN 172.A NE2 LEU 169.A O no hydrogen 2.972 N/A ARG 173.A N LEU 169.A O no hydrogen 3.069 N/A ARG 173.A NH1 ASN 170.A OD1 no hydrogen 2.699 N/A ARG 173.A NH1 GLY 247.A O no hydrogen 2.979 N/A ARG 173.A NH2 GLY 247.A O no hydrogen 3.419 N/A PHE 174.A N PHE 171.A O no hydrogen 2.993 N/A GLY 175.A N GLN 172.A O no hydrogen 3.171 N/A LYS 176.A N PHE 171.A O no hydrogen 2.873 N/A LYS 176.A NZ GLU 246.A OE2 no hydrogen 3.002 N/A MET 177.A N ASP 42.A OD2 no hydrogen 2.986 N/A LYS 178.A NZ GLU 38.A OE1 no hydrogen 2.666 N/A LYS 178.A NZ GLY 175.A O no hydrogen 3.514 N/A GLY 179.A N ASP 39.A OD1 no hydrogen 2.830 N/A MET 180.A N ASP 39.A OD2 no hydrogen 2.863 N/A GLY 181.A N MET 177.A O no hydrogen 2.997 N/A LYS 182.A N LYS 178.A O no hydrogen 2.905 N/A LYS 182.A NZ GLU 185.A OE1 no hydrogen 3.131 N/A VAL 183.A N GLY 179.A O no hydrogen 3.092 N/A VAL 184.A N MET 180.A O no hydrogen 3.045 N/A GLU 185.A N GLY 181.A O no hydrogen 2.751 N/A TRP 186.A N LYS 182.A O no hydrogen 2.875 N/A SER 187.A N VAL 183.A O no hydrogen 2.907 N/A SER 187.A OG TYR 105.A OH no hydrogen 3.274 N/A SER 187.A OG VAL 183.A O no hydrogen 2.932 N/A ILE 188.A N VAL 184.A O no hydrogen 2.841 N/A ARG 189.A N GLU 185.A O no hydrogen 2.959 N/A ASP 190.A N TRP 186.A O no hydrogen 3.076 N/A GLU 191.A N SER 187.A O no hydrogen 2.947 N/A SER 192.A N ILE 188.A O no hydrogen 2.860 N/A SER 192.A OG ILE 188.A O no hydrogen 2.864 N/A MET 193.A N ARG 189.A O no hydrogen 3.377 N/A HIS 194.A N ASP 190.A O no hydrogen 2.904 N/A HIS 194.A ND1 GLU 157.A OE2 no hydrogen 2.943 N/A HIS 194.A NE2 HIS 24.A NE2 no hydrogen 2.942 N/A VAL 195.A N GLU 191.A O no hydrogen 2.783 N/A GLU 196.A N SER 192.A O no hydrogen 2.978 N/A GLY 197.A N MET 193.A O no hydrogen 2.907 N/A ASN 198.A N HIS 194.A O no hydrogen 2.827 N/A ASN 198.A ND2 TYR 74.A OH no hydrogen 2.939 N/A ALA 199.A N VAL 195.A O no hydrogen 2.830 N/A ALA 200.A N GLU 196.A O no hydrogen 3.058 N/A LEU 201.A N GLY 197.A O no hydrogen 2.865 N/A PHE 202.A N ASN 198.A O no hydrogen 2.815 N/A ARG 203.A N ALA 199.A O no hydrogen 2.903 N/A ARG 203.A NH1 GLN 267.A O no hydrogen 2.925 N/A ILE 204.A N ALA 200.A O no hydrogen 2.910 N/A TYR 205.A N LEU 201.A O no hydrogen 2.726 N/A TYR 205.A OH ARG 143.A O no hydrogen 2.890 N/A CYS 206.A N PHE 202.A O no hydrogen 2.947 N/A CYS 206.A SG PHE 202.A O no hydrogen 3.338 N/A GLN 207.A N ARG 203.A O no hydrogen 3.171 N/A GLU 208.A N ILE 204.A O no hydrogen 3.038 N/A ASN 209.A N TYR 205.A O no hydrogen 2.993 N/A ASN 209.A ND2 TYR 205.A O no hydrogen 2.914 N/A ILE 212.A N ASN 209.A O no hydrogen 3.307 N/A VAL 213.A N PRO 210.A O no hydrogen 3.309 N/A ASP 214.A N ILE 212.A O no hydrogen 2.922 N/A PHE 217.A N ASP 214.A OD1 no hydrogen 2.927 N/A LYS 218.A N ASP 214.A O no hydrogen 3.348 N/A LYS 219.A N ASN 215.A O no hydrogen 3.330 N/A GLU 220.A N GLN 216.A O no hydrogen 2.782 N/A ILE 221.A N PHE 217.A O no hydrogen 3.258 N/A ILE 221.A N LYS 218.A O no hydrogen 3.050 N/A TYR 222.A N LYS 218.A O no hydrogen 3.105 N/A LEU 223.A N LYS 219.A O no hydrogen 3.049 N/A MET 224.A N GLU 220.A O no hydrogen 3.046 N/A ALA 225.A N ILE 221.A O no hydrogen 3.020 N/A SER 226.A N TYR 222.A O no hydrogen 3.083 N/A SER 226.A OG LEU 223.A O no hydrogen 3.051 N/A LYS 227.A N LEU 223.A O no hydrogen 2.794 N/A LYS 227.A NZ GLU 230.A OE1 no hydrogen 3.160 N/A LYS 227.A NZ GLU 230.A OE2 no hydrogen 3.091 N/A ALA 228.A N MET 224.A O no hydrogen 2.912 N/A VAL 229.A N ALA 225.A O no hydrogen 3.093 N/A GLU 230.A N SER 226.A O no hydrogen 2.966 N/A LEU 231.A N LYS 227.A O no hydrogen 2.915 N/A GLU 232.A N ALA 228.A O no hydrogen 2.965 N/A ASP 233.A N VAL 229.A O no hydrogen 2.821 N/A LYS 234.A N GLU 230.A O no hydrogen 3.068 N/A LYS 234.A NZ GLU 124.A OE2 no hydrogen 3.009 N/A LYS 234.A NZ GLU 237.A OE2 no hydrogen 3.562 N/A PHE 235.A N LEU 231.A O no hydrogen 3.090 N/A ILE 236.A N GLU 232.A O no hydrogen 3.000 N/A GLU 237.A N ASP 233.A O no hydrogen 2.967 N/A LEU 238.A N LYS 234.A O no hydrogen 3.051 N/A ALA 239.A N PHE 235.A O no hydrogen 2.821 N/A TYR 240.A N ILE 236.A O no hydrogen 3.011 N/A TYR 240.A OH LEU 248.A O no hydrogen 2.823 N/A GLU 241.A N LEU 238.A O no hydrogen 3.294 N/A LEU 242.A N ALA 239.A O no hydrogen 3.164 N/A GLY 243.A N TYR 240.A O no hydrogen 3.319 N/A LEU 248.A N ILE 245.A O no hydrogen 3.214 N/A LYS 249.A N GLU 252.A OE2 no hydrogen 2.884 N/A GLU 252.A N LYS 249.A O no hydrogen 3.239 N/A VAL 253.A N LYS 249.A O no hydrogen 3.320 N/A LYS 254.A N ALA 250.A O no hydrogen 3.073 N/A GLN 255.A N ASP 251.A O no hydrogen 3.180 N/A TYR 256.A N GLU 252.A O no hydrogen 2.968 N/A TYR 256.A OH PHE 162.A O no hydrogen 2.884 N/A ILE 257.A N VAL 253.A O no hydrogen 2.939 N/A ARG 258.A N LYS 254.A O no hydrogen 3.168 N/A ARG 258.A NH1 ASP 233.A OD1 no hydrogen 3.053 N/A ARG 258.A NH1 ASP 233.A OD2 no hydrogen 3.488 N/A ARG 258.A NH1 LYS 254.A O no hydrogen 3.079 N/A ARG 258.A NH2 ASP 233.A OD2 no hydrogen 2.962 N/A HIS 259.A N GLN 255.A O no hydrogen 2.893 N/A HIS 259.A ND1 ILE 276.A O no hydrogen 3.062 N/A ILE 260.A N TYR 256.A O no hydrogen 2.975 N/A THR 261.A N ILE 257.A O no hydrogen 2.975 N/A THR 261.A OG1 ILE 257.A O no hydrogen 2.753 N/A ASP 262.A N ARG 258.A O no hydrogen 3.121 N/A ARG 263.A N HIS 259.A O no hydrogen 3.191 N/A ARG 264.A N ILE 260.A O no hydrogen 2.978 N/A ARG 264.A NE GLY 158.A O no hydrogen 2.964 N/A ARG 264.A NH1 GLN 267.A OE1 no hydrogen 3.059 N/A ARG 264.A NH2 GLY 158.A O no hydrogen 3.178 N/A LEU 265.A N THR 261.A O no hydrogen 3.068 N/A ASN 266.A N ASP 262.A O no hydrogen 2.988 N/A GLN 267.A N ARG 263.A O no hydrogen 2.828 N/A LEU 268.A N ARG 264.A O no hydrogen 2.995 N/A GLY 269.A N ASN 266.A O no hydrogen 2.928 N/A LEU 270.A N LEU 265.A O no hydrogen 2.866 N/A LYS 271.A N TYR 222.A OH no hydrogen 2.874 N/A ILE 273.A N ASP 262.A OD2 no hydrogen 2.813 N/A TYR 274.A N ASP 262.A OD1 no hydrogen 2.984 N/A ASN 275.A N ASP 262.A OD1 no hydrogen 2.990 N/A ASN 279.A ND2 GLU 285.A OE2 no hydrogen 2.908 N/A LEU 281.A N ASN 279.A OD1 no hydrogen 3.000 N/A LEU 284.A N LEU 281.A O no hydrogen 3.062 N/A GLU 285.A N THR 282.A O no hydrogen 3.209 N/A ILE 287.A N LEU 284.A O no hydrogen 2.738 N/A LEU 288.A N LEU 284.A O no hydrogen 3.095 N/A ASN 289.A ND2 ILE 287.A O no hydrogen 3.645 N/A