Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8bd3_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 7.A N GLY 3.A O no hydrogen 2.982 N/A VAL 8.A N TRP 4.A O no hydrogen 2.813 N/A ASP 9.A N PHE 5.A O no hydrogen 2.790 N/A ASP 10.A N ASP 6.A O no hydrogen 2.968 N/A TRP 11.A N VAL 7.A O no hydrogen 3.361 N/A LEU 12.A N VAL 8.A O no hydrogen 2.852 N/A ARG 13.A N ASP 9.A O no hydrogen 3.036 N/A ARG 13.A NE ASP 9.A OD1 no hydrogen 2.883 N/A ARG 13.A NH1 SER 125.A OG no hydrogen 3.239 N/A ARG 13.A NH2 ASP 9.A OD2 no hydrogen 3.501 N/A ARG 14.A N TRP 11.A O no hydrogen 3.226 N/A ARG 16.A N ARG 14.A O no hydrogen 2.956 N/A ARG 16.A NH1 TRP 11.A O no hydrogen 2.973 N/A ARG 16.A NH2 TRP 11.A O no hydrogen 3.255 N/A GLY 21.A N LEU 12.A O no hydrogen 2.788 N/A TRP 22.A N GLU 121.A OE2 no hydrogen 3.118 N/A TRP 22.A NE1 ASP 9.A OD1 no hydrogen 3.102 N/A GLY 24.A N GLY 21.A O no hydrogen 3.315 N/A LEU 25.A N TRP 22.A O no hydrogen 3.201 N/A LEU 26.A N SER 23.A O no hydrogen 3.081 N/A LEU 27.A N SER 23.A O no hydrogen 2.810 N/A PHE 28.A N GLY 24.A O no hydrogen 3.112 N/A THR 30.A OG1 LEU 26.A O no hydrogen 2.426 N/A THR 30.A OG1 LEU 27.A O no hydrogen 3.001 N/A ALA 31.A N LEU 27.A O no hydrogen 2.595 N/A TYR 32.A N PHE 28.A O no hydrogen 3.019 N/A LEU 33.A N PRO 29.A O no hydrogen 3.142 N/A ALA 34.A N THR 30.A O no hydrogen 2.935 N/A LEU 35.A N ALA 31.A O no hydrogen 2.961 N/A GLY 36.A N TYR 32.A O no hydrogen 2.729 N/A GLY 37.A N LEU 33.A O no hydrogen 2.587 N/A TRP 38.A N ALA 34.A O no hydrogen 3.150 N/A TRP 38.A NE1 PHE 163.A O no hydrogen 2.963 N/A PHE 39.A N LEU 35.A O no hydrogen 3.034 N/A THR 40.A N GLY 36.A O no hydrogen 2.830 N/A THR 40.A OG1 GLY 36.A O no hydrogen 2.556 N/A GLY 41.A N GLY 37.A O no hydrogen 2.881 N/A THR 42.A N TRP 38.A O no hydrogen 2.883 N/A THR 42.A OG1 TRP 38.A O no hydrogen 2.831 N/A THR 42.A OG1 PHE 39.A O no hydrogen 3.202 N/A THR 43.A N THR 40.A O no hydrogen 3.305 N/A THR 43.A OG1 PHE 39.A O no hydrogen 2.435 N/A PHE 44.A N THR 40.A O no hydrogen 2.989 N/A THR 46.A OG1 GLU 59.A OE1 no hydrogen 3.065 N/A THR 46.A OG1 GLU 59.A OE2 no hydrogen 2.440 N/A SER 47.A OG LEU 53.A O no hydrogen 2.989 N/A SER 47.A OG SER 55.A OG no hydrogen 2.770 N/A TRP 48.A N THR 46.A OG1 no hydrogen 2.876 N/A THR 50.A OG1 SER 47.A O no hydrogen 3.404 N/A HIS 51.A N SER 47.A O no hydrogen 2.973 N/A HIS 51.A NE2 THR 70.A O no hydrogen 2.857 N/A GLY 52.A N TRP 48.A O no hydrogen 3.129 N/A LEU 53.A N SER 47.A O no hydrogen 3.296 N/A SER 55.A N GLU 59.A OE1 no hydrogen 3.015 N/A SER 55.A OG SER 47.A OG no hydrogen 2.770 N/A SER 55.A OG ALA 67.A O no hydrogen 3.333 N/A SER 56.A OG GLU 59.A OE1 no hydrogen 3.096 N/A TYR 57.A N THR 42.A O no hydrogen 2.978 N/A LEU 58.A N THR 43.A O no hydrogen 3.142 N/A GLU 59.A N SER 56.A O no hydrogen 3.145 N/A GLU 59.A N SER 56.A OG no hydrogen 3.223 N/A GLY 60.A N TYR 57.A O no hydrogen 2.886 N/A CYS 61.A N SER 56.A O no hydrogen 2.976 N/A CYS 61.A SG ALA 54.A O no hydrogen 3.074 N/A ASN 62.A N THR 65.A OG1 no hydrogen 3.261 N/A LEU 64.A N ASN 62.A OD1 no hydrogen 3.122 N/A THR 65.A N ASN 62.A O no hydrogen 3.093 N/A THR 65.A N ASN 62.A OD1 no hydrogen 3.146 N/A THR 65.A OG1 ASN 62.A OD1 no hydrogen 3.222 N/A ALA 66.A N ASN 62.A O no hydrogen 2.863 N/A ALA 67.A N SER 55.A O no hydrogen 3.011 N/A VAL 68.A N PHE 163.A O no hydrogen 2.984 N/A THR 70.A OG1 HIS 51.A NE2 no hydrogen 2.907 N/A THR 70.A OG1 PHE 158.A O no hydrogen 3.027 N/A MET 75.A N ALA 72.A O no hydrogen 3.024 N/A GLY 76.A N ASN 73.A O no hydrogen 2.950 N/A HIS 77.A NE2 PRO 151.A O no hydrogen 2.719 N/A SER 78.A N MET 75.A O no hydrogen 3.142 N/A SER 78.A OG GLU 86.A OE1 no hydrogen 3.051 N/A SER 78.A OG GLU 86.A OE2 no hydrogen 2.800 N/A LEU 80.A N SER 78.A OG no hydrogen 3.124 N/A GLY 84.A N PHE 81.A O no hydrogen 3.350 N/A GLN 88.A NE2 PRO 85.A O no hydrogen 2.959 N/A GLY 89.A N LEU 82.A O no hydrogen 2.695 N/A ARG 93.A NH1 GLN 96.A OE1 no hydrogen 2.764 N/A TRP 94.A N ASP 90.A O no hydrogen 2.798 N/A TRP 94.A NE1 LEU 80.A O no hydrogen 2.923 N/A CYS 95.A N PHE 91.A O no hydrogen 2.995 N/A CYS 95.A SG PHE 91.A O no hydrogen 3.377 N/A GLN 96.A N THR 92.A O no hydrogen 3.054 N/A LEU 97.A N ARG 93.A O no hydrogen 2.973 N/A GLY 98.A N CYS 95.A O no hydrogen 3.204 N/A GLY 99.A N TRP 94.A O no hydrogen 2.992 N/A TRP 101.A N GLY 98.A O no hydrogen 3.096 N/A TRP 101.A NE1 PRO 161.A O no hydrogen 3.234 N/A THR 102.A OG1 LEU 79.A O no hydrogen 3.172 N/A THR 102.A OG1 GLY 99.A O no hydrogen 2.882 N/A PHE 103.A N GLY 99.A O no hydrogen 3.102 N/A VAL 104.A N LEU 100.A O no hydrogen 2.923 N/A ALA 105.A N TRP 101.A O no hydrogen 2.739 N/A LEU 106.A N THR 102.A O no hydrogen 2.847 N/A HIS 107.A N PHE 103.A O no hydrogen 3.051 N/A GLY 108.A N VAL 104.A O no hydrogen 2.799 N/A SER 109.A N ALA 105.A O no hydrogen 2.934 N/A SER 109.A OG ALA 105.A O no hydrogen 3.384 N/A SER 109.A OG LEU 106.A O no hydrogen 2.769 N/A PHE 110.A N LEU 106.A O no hydrogen 3.086 N/A SER 111.A N HIS 107.A O no hydrogen 3.157 N/A SER 111.A OG HIS 107.A O no hydrogen 3.506 N/A SER 111.A OG GLY 108.A O no hydrogen 2.367 N/A LEU 112.A N GLY 108.A O no hydrogen 3.251 N/A ILE 113.A N SER 109.A O no hydrogen 3.389 N/A GLY 114.A N PHE 110.A O no hydrogen 2.952 N/A PHE 115.A N SER 111.A O no hydrogen 2.777 N/A MET 116.A N LEU 112.A O no hydrogen 3.020 N/A LEU 117.A N ILE 113.A O no hydrogen 2.847 N/A ARG 118.A N GLY 114.A O no hydrogen 2.880 N/A ARG 118.A NH1 PHE 19.A O no hydrogen 2.674 N/A ARG 118.A NH2 PHE 19.A O no hydrogen 2.787 N/A GLN 119.A N PHE 115.A O no hydrogen 3.078 N/A PHE 120.A N MET 116.A O no hydrogen 3.209 N/A GLU 121.A N LEU 117.A O no hydrogen 2.802 N/A ILE 122.A N ARG 118.A O no hydrogen 2.902 N/A ALA 123.A N GLN 119.A O no hydrogen 3.086 N/A ARG 124.A N PHE 120.A O no hydrogen 3.095 N/A SER 125.A N GLU 121.A O no hydrogen 3.222 N/A SER 125.A OG GLU 121.A O no hydrogen 2.845 N/A VAL 126.A N ILE 122.A O no hydrogen 2.818 N/A LYS 127.A N ARG 124.A O no hydrogen 3.323 N/A ILE 128.A N ALA 123.A O no hydrogen 3.008 N/A ALA 135.A N TYR 131.A O no hydrogen 2.971 N/A PHE 136.A N ASN 132.A O no hydrogen 3.035 N/A PHE 136.A N ALA 133.A O no hydrogen 3.056 N/A SER 137.A N ILE 134.A O no hydrogen 3.247 N/A SER 137.A OG ILE 134.A O no hydrogen 2.631 N/A ILE 140.A N PHE 136.A O no hydrogen 3.414 N/A SER 141.A N SER 137.A O no hydrogen 2.810 N/A SER 141.A OG SER 137.A O no hydrogen 3.513 N/A SER 141.A OG ALA 138.A O no hydrogen 2.545 N/A VAL 142.A N ALA 138.A O no hydrogen 3.079 N/A PHE 143.A N PRO 139.A O no hydrogen 2.949 N/A VAL 144.A N ILE 140.A O no hydrogen 2.749 N/A SER 145.A N SER 141.A O no hydrogen 3.028 N/A SER 145.A OG SER 141.A O no hydrogen 2.777 N/A SER 145.A OG VAL 142.A O no hydrogen 3.259 N/A VAL 146.A N VAL 142.A O no hydrogen 2.937 N/A PHE 147.A N PHE 143.A O no hydrogen 2.916 N/A LEU 148.A N VAL 144.A O no hydrogen 3.101 N/A ILE 149.A N VAL 144.A O no hydrogen 2.809 N/A TYR 150.A N SER 145.A O no hydrogen 2.835 N/A TYR 150.A OH HIS 179.A NE2 no hydrogen 2.803 N/A LEU 152.A N LEU 148.A O no hydrogen 3.205 N/A GLY 153.A N ILE 149.A O no hydrogen 3.096 N/A GLY 153.A N TYR 150.A O no hydrogen 3.184 N/A GLN 154.A N TYR 150.A O no hydrogen 3.245 N/A GLN 154.A N PRO 151.A O no hydrogen 3.076 N/A GLN 154.A NE2 ASN 282.A OD1 no hydrogen 3.137 N/A TRP 157.A N GLY 76.A O no hydrogen 3.111 N/A TRP 157.A NE1 SER 78.A O no hydrogen 2.675 N/A PHE 159.A N GLY 156.A O no hydrogen 3.406 N/A ALA 160.A N TRP 157.A O no hydrogen 2.964 N/A SER 162.A OG VAL 68.A O no hydrogen 2.998 N/A PHE 163.A N VAL 68.A O no hydrogen 3.173 N/A ALA 166.A N LEU 64.A O no hydrogen 2.852 N/A ILE 168.A N GLY 164.A O no hydrogen 3.026 N/A PHE 169.A N VAL 165.A O no hydrogen 3.136 N/A ARG 170.A N ALA 166.A O no hydrogen 2.856 N/A ARG 170.A NE ASP 323.A OD1 no hydrogen 2.845 N/A ARG 170.A NH2 ASP 323.A OD1 no hydrogen 2.963 N/A ARG 170.A NH2 ASP 323.A OD2 no hydrogen 2.974 N/A PHE 171.A N ALA 167.A O no hydrogen 3.004 N/A ILE 172.A N ILE 168.A O no hydrogen 2.766 N/A LEU 173.A N PHE 169.A O no hydrogen 2.886 N/A PHE 174.A N ARG 170.A O no hydrogen 2.769 N/A PHE 175.A N PHE 171.A O no hydrogen 3.222 N/A PHE 175.A N ILE 172.A O no hydrogen 3.082 N/A GLN 176.A N ILE 172.A O no hydrogen 3.265 N/A GLN 176.A NE2 ASN 180.A OD1 no hydrogen 3.160 N/A GLN 176.A NE2 ASN 312.A OD1 no hydrogen 2.637 N/A GLY 177.A N LEU 173.A O no hydrogen 3.145 N/A PHE 178.A N PHE 174.A O no hydrogen 2.905 N/A HIS 179.A N PHE 175.A O no hydrogen 2.932 N/A HIS 179.A NE2 TYR 150.A OH no hydrogen 2.803 N/A ASN 180.A N GLN 176.A O no hydrogen 3.078 N/A ASN 180.A ND2 TYR 286.A O no hydrogen 2.491 N/A TRP 181.A N PHE 175.A O no hydrogen 3.197 N/A THR 182.A OG1 GLN 176.A OE1 no hydrogen 2.385 N/A LEU 183.A N ASN 180.A O no hydrogen 2.967 N/A ASN 184.A N TRP 181.A O no hydrogen 3.254 N/A PHE 186.A N ASN 184.A OD1 no hydrogen 2.854 N/A MET 188.A N ASN 184.A O no hydrogen 3.237 N/A MET 189.A N PRO 185.A O no hydrogen 3.247 N/A GLY 190.A N PHE 186.A O no hydrogen 2.980 N/A VAL 191.A N HIS 187.A O no hydrogen 2.673 N/A ALA 192.A N MET 188.A O no hydrogen 3.044 N/A GLY 193.A N MET 189.A O no hydrogen 3.026 N/A VAL 194.A N GLY 190.A O no hydrogen 2.982 N/A LEU 195.A N VAL 191.A O no hydrogen 2.754 N/A GLY 196.A N ALA 192.A O no hydrogen 2.765 N/A ALA 197.A N GLY 193.A O no hydrogen 2.853 N/A ALA 198.A N VAL 194.A O no hydrogen 2.960 N/A LEU 199.A N LEU 195.A O no hydrogen 2.929 N/A LEU 200.A N GLY 196.A O no hydrogen 2.886 N/A CYS 201.A N ALA 197.A O no hydrogen 2.856 N/A ALA 202.A N ALA 198.A O no hydrogen 3.139 N/A ILE 203.A N LEU 199.A O no hydrogen 2.793 N/A HIS 204.A N LEU 200.A O no hydrogen 2.896 N/A GLY 205.A N CYS 201.A O no hydrogen 3.080 N/A ALA 206.A N ALA 202.A O no hydrogen 3.002 N/A THR 207.A N ILE 203.A O no hydrogen 3.016 N/A THR 207.A OG1 ILE 203.A O no hydrogen 2.524 N/A VAL 208.A N HIS 204.A O no hydrogen 3.039 N/A GLU 209.A N GLY 205.A O no hydrogen 3.159 N/A ASN 210.A N ALA 206.A O no hydrogen 3.023 N/A ASN 210.A ND2 ALA 206.A O no hydrogen 2.274 N/A THR 211.A N VAL 208.A O no hydrogen 3.335 N/A THR 211.A OG1 THR 207.A O no hydrogen 2.407 N/A THR 211.A OG1 VAL 208.A O no hydrogen 3.539 N/A PHE 213.A N THR 233.A O no hydrogen 2.802 N/A PHE 222.A N ASN 220.A OD1 no hydrogen 3.244 N/A THR 228.A N ASN 226.A OD1 no hydrogen 2.922 N/A THR 228.A OG1 ASN 226.A OD1 no hydrogen 2.856 N/A GLN 229.A N ASN 226.A O no hydrogen 2.764 N/A SER 235.A N THR 211.A O no hydrogen 2.742 N/A SER 235.A OG THR 238.A OG1 no hydrogen 3.011 N/A THR 238.A N SER 235.A OG no hydrogen 3.143 N/A THR 238.A OG1 SER 235.A OG no hydrogen 3.011 N/A ALA 239.A N SER 235.A O no hydrogen 3.021 N/A ASN 240.A N MET 236.A O no hydrogen 2.636 N/A ASN 240.A ND2 PHE 251.A O no hydrogen 2.765 N/A ARG 241.A N VAL 237.A O no hydrogen 2.894 N/A ARG 241.A NE GLN 245.A OE1 no hydrogen 3.028 N/A PHE 242.A N THR 238.A O no hydrogen 2.777 N/A TRP 243.A N ALA 239.A O no hydrogen 3.141 N/A TRP 243.A NE1 THR 207.A OG1 no hydrogen 2.861 N/A SER 244.A N ASN 240.A O no hydrogen 3.010 N/A SER 244.A OG ASN 240.A O no hydrogen 2.664 N/A GLN 245.A N ARG 241.A O no hydrogen 3.177 N/A ILE 246.A N PHE 242.A O no hydrogen 3.031 N/A PHE 247.A N TRP 243.A O no hydrogen 2.859 N/A ARG 255.A N ASN 253.A OD1 no hydrogen 2.907 N/A TRP 256.A N ASN 253.A OD1 no hydrogen 3.337 N/A LEU 257.A N ASN 253.A O no hydrogen 3.136 N/A HIS 258.A N LYS 254.A O no hydrogen 3.288 N/A HIS 258.A ND1 LYS 254.A O no hydrogen 2.773 N/A PHE 259.A N ARG 255.A O no hydrogen 3.069 N/A PHE 260.A N TRP 256.A O no hydrogen 2.835 N/A MET 261.A N LEU 257.A O no hydrogen 2.886 N/A LEU 262.A N PHE 259.A O no hydrogen 2.848 N/A PHE 263.A N PHE 259.A O no hydrogen 2.697 N/A VAL 264.A N PHE 260.A O no hydrogen 3.055 N/A VAL 266.A N LEU 262.A O no hydrogen 3.430 N/A THR 267.A N PHE 263.A O no hydrogen 2.879 N/A THR 267.A OG1 PHE 263.A O no hydrogen 2.863 N/A GLY 268.A N VAL 264.A O no hydrogen 2.998 N/A LEU 269.A N PRO 265.A O no hydrogen 3.108 N/A TRP 270.A N VAL 266.A O no hydrogen 2.966 N/A TRP 270.A NE1 SER 137.A OG no hydrogen 3.137 N/A MET 271.A N THR 267.A O no hydrogen 2.869 N/A SER 272.A N GLY 268.A O no hydrogen 2.959 N/A ALA 273.A N LEU 269.A O no hydrogen 2.847 N/A ILE 274.A N TRP 270.A O no hydrogen 3.190 N/A GLY 275.A N MET 271.A O no hydrogen 3.356 N/A VAL 276.A N SER 272.A O no hydrogen 3.242 N/A VAL 277.A N ALA 273.A O no hydrogen 3.114 N/A GLY 278.A N ILE 274.A O no hydrogen 3.135 N/A LEU 279.A N GLY 275.A O no hydrogen 2.975 N/A ALA 280.A N VAL 276.A O no hydrogen 2.945 N/A ALA 280.A N VAL 277.A O no hydrogen 3.278 N/A LEU 281.A N GLY 278.A O no hydrogen 3.245 N/A ASN 282.A N LEU 279.A O no hydrogen 2.944 N/A LEU 283.A N GLY 278.A O no hydrogen 2.820 N/A ARG 284.A NH1 HIS 179.A ND1 no hydrogen 3.052 N/A PHE 288.A N TYR 305.A OH no hydrogen 3.007 N/A GLU 292.A N PHE 288.A O no hydrogen 3.098 N/A ILE 293.A N VAL 289.A O no hydrogen 2.772 N/A ARG 294.A N SER 290.A O no hydrogen 3.026 N/A ALA 295.A N GLN 291.A O no hydrogen 2.681 N/A ALA 296.A N GLU 292.A O no hydrogen 2.985 N/A GLU 297.A N ILE 293.A O no hydrogen 3.027 N/A ASP 298.A N ARG 294.A O no hydrogen 2.747 N/A GLU 300.A N ASP 298.A OD1 no hydrogen 3.425 N/A PHE 301.A N ASP 298.A O no hydrogen 3.226 N/A THR 303.A N THR 306.A OG1 no hydrogen 3.336 N/A THR 303.A OG1 GLN 291.A OE1 no hydrogen 3.078 N/A THR 306.A OG1 THR 303.A O no hydrogen 2.900 N/A LYS 307.A N THR 303.A O no hydrogen 3.123 N/A ASN 308.A N PHE 304.A O no hydrogen 3.081 N/A ILE 309.A N TYR 305.A O no hydrogen 2.995 N/A LEU 310.A N THR 306.A O no hydrogen 3.203 N/A LEU 311.A N LYS 307.A O no hydrogen 3.130 N/A ASN 312.A N ASN 308.A O no hydrogen 2.930 N/A GLU 313.A N ILE 309.A O no hydrogen 3.204 N/A GLY 314.A N LEU 310.A O no hydrogen 3.137 N/A ILE 315.A N LEU 311.A O no hydrogen 2.968 N/A ARG 316.A N ASN 312.A O no hydrogen 2.905 N/A ARG 316.A NH1 GLY 177.A O no hydrogen 2.697 N/A ARG 316.A NH1 TYR 286.A OH no hydrogen 2.545 N/A ARG 316.A NH2 TYR 286.A OH no hydrogen 2.989 N/A ALA 317.A N GLU 313.A O no hydrogen 3.139 N/A TRP 318.A N GLY 314.A O no hydrogen 3.128 N/A TRP 318.A NE1 PRO 337.A O no hydrogen 3.069 N/A ALA 320.A N ARG 316.A O no hydrogen 3.073 N/A ASP 323.A N MET 319.A O no hydrogen 2.871 N/A GLN 324.A N ALA 320.A O no hydrogen 2.953 N/A GLU 327.A N GLN 324.A O no hydrogen 3.256 N/A LYS 328.A N PRO 325.A O no hydrogen 3.219 N/A VAL 335.A N PRO 332.A O no hydrogen 2.999 N/A LEU 336.A N GLU 333.A O no hydrogen 3.208 N/A