Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2d1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 GLU 27.A O no hydrogen 2.748 N/A VAL 6.A N GLU 27.A OE2 no hydrogen 3.099 N/A ALA 9.A N GLY 5.A O no hydrogen 2.750 N/A TYR 10.A N ILE 7.A O no hydrogen 3.267 N/A TYR 10.A OH ASP 173.A OD2 no hydrogen 2.614 N/A ARG 13.A N TYR 10.A O no hydrogen 3.034 N/A LEU 14.A N ARG 11.A O no hydrogen 2.852 N/A VAL 16.A N LEU 14.A O no hydrogen 2.888 N/A THR 24.A OG1 GLU 27.A OE1 no hydrogen 3.004 N/A THR 24.A OG1 GLU 27.A OE2 no hydrogen 2.674 N/A LEU 25.A N GLU 27.A OE1 no hydrogen 3.144 N/A LEU 26.A N THR 24.A OG1 no hydrogen 2.826 N/A GLY 28.A N ASN 54.A OD1 no hydrogen 2.754 N/A GLY 29.A N GLU 170.A OE1 no hydrogen 3.198 N/A GLY 29.A N GLU 170.A OE2 no hydrogen 2.778 N/A THR 30.A OG1 GLU 51.A OE2 no hydrogen 2.596 N/A ILE 33.A N LEU 48.A O no hydrogen 2.735 N/A ALA 35.A N ILE 46.A O no hydrogen 2.741 N/A ASN 37.A ND2 VAL 281.A O no hydrogen 2.423 N/A LEU 38.A N GLU 282.A OE2 no hydrogen 3.077 N/A SER 39.A N ALA 35.A O no hydrogen 2.662 N/A SER 39.A OG ALA 35.A O no hydrogen 2.933 N/A SER 39.A OG CYS 44.A O no hydrogen 3.496 N/A LYS 40.A N THR 36.A O no hydrogen 2.998 N/A GLN 41.A N ASN 37.A O no hydrogen 3.294 N/A THR 42.A N LEU 38.A O no hydrogen 2.921 N/A THR 42.A OG1 LEU 38.A O no hydrogen 3.117 N/A GLY 43.A N SER 39.A O no hydrogen 2.639 N/A CYS 44.A SG ALA 307.A O no hydrogen 3.493 N/A THR 45.A N SER 310.A O no hydrogen 3.189 N/A ILE 46.A N SER 39.A OG no hydrogen 3.008 N/A HIS 47.A N VAL 312.A O no hydrogen 2.934 N/A LEU 48.A N ILE 33.A O no hydrogen 2.547 N/A LYS 49.A N CYS 314.A O no hydrogen 3.135 N/A LYS 49.A NZ THR 30.A O no hydrogen 2.942 N/A LYS 49.A NZ THR 30.A OG1 no hydrogen 3.316 N/A LYS 49.A NZ GLU 170.A OE1 no hydrogen 2.621 N/A VAL 50.A N PRO 31.A O no hydrogen 3.072 N/A GLU 51.A N VAL 316.A O no hydrogen 2.887 N/A ASN 54.A N GLU 51.A O no hydrogen 3.078 N/A ASN 54.A ND2 GLU 51.A O no hydrogen 2.899 N/A ASN 54.A ND2 GLU 51.A OE2 no hydrogen 3.175 N/A THR 56.A N ASP 61.A OD2 no hydrogen 2.652 N/A THR 56.A OG1 ASP 61.A OD1 no hydrogen 2.586 N/A THR 56.A OG1 ASP 61.A OD2 no hydrogen 3.340 N/A GLY 57.A N ASN 54.A O no hydrogen 2.755 N/A PHE 59.A N THR 317.A O no hydrogen 3.125 N/A LYS 60.A N SER 58.A OG no hydrogen 3.113 N/A ARG 62.A N PHE 59.A O no hydrogen 3.036 N/A ARG 62.A NE GLU 51.A OE1 no hydrogen 2.553 N/A ARG 62.A NE GLU 51.A OE2 no hydrogen 3.443 N/A ARG 62.A NH1 THR 166.A OG1 no hydrogen 3.162 N/A ARG 62.A NH1 GLU 170.A OE2 no hydrogen 2.905 N/A ARG 62.A NH2 THR 30.A OG1 no hydrogen 3.303 N/A ARG 62.A NH2 GLU 51.A OE2 no hydrogen 3.045 N/A ARG 62.A NH2 GLU 170.A OE1 no hydrogen 2.708 N/A ARG 62.A NH2 GLU 170.A OE2 no hydrogen 3.281 N/A GLY 63.A N LYS 60.A O no hydrogen 3.022 N/A MET 64.A N LYS 60.A O no hydrogen 3.081 N/A THR 65.A N ASP 61.A O no hydrogen 3.321 N/A THR 65.A OG1 ASP 61.A O no hydrogen 2.965 N/A ALA 67.A N GLY 63.A O no hydrogen 2.703 N/A VAL 68.A N MET 64.A O no hydrogen 2.609 N/A THR 69.A N THR 65.A O no hydrogen 2.816 N/A THR 69.A OG1 THR 65.A O no hydrogen 2.233 N/A ASP 70.A N MET 66.A O no hydrogen 3.083 N/A ALA 71.A N ALA 67.A O no hydrogen 2.947 N/A LEU 72.A N VAL 68.A O no hydrogen 2.823 N/A ALA 73.A N THR 69.A O no hydrogen 2.991 N/A HIS 74.A N ASP 70.A O no hydrogen 2.955 N/A HIS 74.A ND1 ASP 70.A O no hydrogen 3.148 N/A GLY 75.A N LEU 72.A O no hydrogen 2.993 N/A GLN 76.A N ALA 71.A O no hydrogen 3.044 N/A GLN 76.A NE2 PRO 148.A O no hydrogen 2.684 N/A ARG 77.A N THR 149.A O no hydrogen 3.086 N/A ALA 78.A N THR 149.A O no hydrogen 3.434 N/A VAL 79.A N THR 101.A O no hydrogen 2.878 N/A LEU 80.A N SER 151.A O no hydrogen 3.248 N/A CYS 81.A N ALA 103.A O no hydrogen 3.075 N/A GLY 85.A N SER 83.A OG no hydrogen 3.416 N/A SER 88.A N GLY 85.A O no hydrogen 3.301 N/A SER 88.A OG GLY 85.A O no hydrogen 2.937 N/A SER 90.A N ASN 86.A O no hydrogen 3.114 N/A SER 90.A OG ASP 61.A OD1 no hydrogen 2.828 N/A ALA 91.A N THR 87.A O no hydrogen 2.774 N/A ALA 92.A N SER 88.A O no hydrogen 2.794 N/A ALA 93.A N ALA 89.A O no hydrogen 3.107 N/A TYR 94.A N SER 90.A O no hydrogen 3.338 N/A TYR 94.A OH GLU 27.A OE1 no hydrogen 2.429 N/A ALA 95.A N ALA 91.A O no hydrogen 3.008 N/A ALA 96.A N ALA 92.A O no hydrogen 3.016 N/A ARG 97.A N ALA 93.A O no hydrogen 2.991 N/A ARG 97.A NE THR 24.A O no hydrogen 2.955 N/A ALA 98.A N TYR 94.A O no hydrogen 2.920 N/A GLY 99.A N ALA 95.A O no hydrogen 2.792 N/A GLY 99.A N ALA 96.A O no hydrogen 3.228 N/A ILE 100.A N ALA 95.A O no hydrogen 2.722 N/A THR 101.A N ARG 77.A O no hydrogen 3.358 N/A CYS 102.A SG VAL 79.A O no hydrogen 3.807 N/A ALA 103.A N VAL 79.A O no hydrogen 2.852 N/A VAL 104.A N LYS 125.A O no hydrogen 2.879 N/A LEU 105.A N CYS 81.A O no hydrogen 3.034 N/A ILE 106.A N ILE 127.A O no hydrogen 3.075 N/A GLN 108.A N GLY 131.A O no hydrogen 2.842 N/A ALA 117.A N MET 113.A O no hydrogen 2.875 N/A GLN 118.A NE2 THR 56.A O no hydrogen 3.186 N/A VAL 120.A N LEU 116.A O no hydrogen 2.918 N/A MET 121.A N ALA 117.A O no hydrogen 2.890 N/A HIS 122.A N GLN 118.A O no hydrogen 3.290 N/A HIS 122.A N ALA 119.A O no hydrogen 3.078 N/A GLY 123.A N VAL 120.A O no hydrogen 3.194 N/A ALA 124.A N ALA 119.A O no hydrogen 3.065 N/A LYS 125.A N CYS 102.A O no hydrogen 2.669 N/A ILE 127.A N VAL 104.A O no hydrogen 2.892 N/A GLN 128.A NE2 PRO 107.A O no hydrogen 3.140 N/A GLN 128.A NE2 GLY 109.A O no hydrogen 3.040 N/A ILE 129.A N ILE 106.A O no hydrogen 2.998 N/A GLY 131.A N ILE 129.A O no hydrogen 2.749 N/A ASP 134.A N ASN 132.A OD1 no hydrogen 3.097 N/A CYS 136.A N ASN 132.A O no hydrogen 3.225 N/A CYS 136.A SG ASN 132.A O no hydrogen 3.780 N/A LEU 137.A N PHE 133.A O no hydrogen 3.383 N/A GLU 138.A N ASP 134.A O no hydrogen 2.853 N/A LEU 139.A N ASP 135.A O no hydrogen 2.716 N/A ALA 140.A N CYS 136.A O no hydrogen 2.932 N/A ARG 141.A N LEU 137.A O no hydrogen 3.124 N/A LYS 142.A N GLU 138.A O no hydrogen 3.113 N/A MET 143.A N LEU 139.A O no hydrogen 3.016 N/A ALA 144.A N ALA 140.A O no hydrogen 3.186 N/A ALA 145.A N ARG 141.A O no hydrogen 3.171 N/A ASP 146.A N MET 143.A O no hydrogen 3.065 N/A PHE 147.A N MET 143.A O no hydrogen 2.739 N/A ILE 150.A N PHE 147.A O no hydrogen 2.801 N/A SER 151.A N ALA 78.A O no hydrogen 3.079 N/A VAL 153.A N LEU 80.A O no hydrogen 2.926 N/A ASN 157.A N ASN 154.A O no hydrogen 2.991 N/A ASN 157.A ND2 LEU 152.A O no hydrogen 2.989 N/A ARG 160.A N ASN 157.A OD1 no hydrogen 3.127 N/A ARG 160.A NE GLN 164.A OE1 no hydrogen 3.488 N/A ARG 160.A NH1 VAL 153.A O no hydrogen 2.836 N/A ARG 160.A NH2 GLN 164.A OE1 no hydrogen 3.354 N/A ILE 161.A N ASN 157.A O no hydrogen 3.239 N/A GLU 162.A N PRO 158.A O no hydrogen 3.168 N/A GLY 163.A N VAL 159.A O no hydrogen 3.036 N/A GLN 164.A N ARG 160.A O no hydrogen 2.901 N/A LYS 165.A N ILE 161.A O no hydrogen 3.048 N/A LYS 165.A N GLU 162.A O no hydrogen 3.314 N/A LYS 165.A NZ ARG 13.A O no hydrogen 2.795 N/A LYS 165.A NZ GLU 162.A OE1 no hydrogen 2.705 N/A LYS 165.A NZ GLU 201.A OE1 no hydrogen 2.431 N/A THR 166.A N GLY 163.A O no hydrogen 3.292 N/A THR 166.A OG1 GLY 163.A O no hydrogen 2.646 N/A ALA 168.A N LYS 165.A O no hydrogen 3.160 N/A GLU 170.A N THR 166.A O no hydrogen 2.941 N/A ILE 171.A N ALA 167.A O no hydrogen 3.245 N/A VAL 172.A N ALA 168.A O no hydrogen 3.331 N/A ASP 173.A N PHE 169.A O no hydrogen 2.807 N/A VAL 174.A N GLU 170.A O no hydrogen 2.882 N/A LEU 175.A N ILE 171.A O no hydrogen 2.969 N/A GLY 176.A N VAL 172.A O no hydrogen 2.617 N/A ASP 180.A N THR 311.A O no hydrogen 2.639 N/A VAL 181.A N THR 311.A O no hydrogen 3.190 N/A HIS 182.A N ARG 213.A O no hydrogen 2.879 N/A HIS 182.A ND1 TYR 199.A OH no hydrogen 2.851 N/A HIS 182.A NE2 THR 315.A OG1 no hydrogen 2.490 N/A ALA 183.A N VAL 313.A O no hydrogen 2.929 N/A LEU 184.A N LEU 215.A O no hydrogen 2.852 N/A VAL 186.A N THR 217.A O no hydrogen 2.922 N/A THR 193.A N ALA 189.A O no hydrogen 3.304 N/A THR 193.A OG1 ALA 189.A O no hydrogen 2.765 N/A ALA 194.A N GLY 190.A O no hydrogen 3.019 N/A TYR 195.A N ASN 191.A O no hydrogen 2.848 N/A TRP 196.A N ILE 192.A O no hydrogen 3.150 N/A TRP 196.A NE1 GLN 258.A OE1 no hydrogen 2.893 N/A LYS 197.A N THR 193.A O no hydrogen 2.900 N/A LYS 197.A NZ GLU 162.A OE2 no hydrogen 2.881 N/A GLY 198.A N ALA 194.A O no hydrogen 2.812 N/A TYR 199.A N TYR 195.A O no hydrogen 2.737 N/A TYR 199.A OH HIS 182.A ND1 no hydrogen 2.851 N/A THR 200.A N TRP 196.A O no hydrogen 3.195 N/A THR 200.A OG1 TRP 196.A O no hydrogen 2.679 N/A THR 200.A OG1 LYS 197.A O no hydrogen 2.799 N/A GLU 201.A N LYS 197.A O no hydrogen 2.989 N/A TYR 202.A N GLY 198.A O no hydrogen 3.277 N/A TYR 202.A N TYR 199.A O no hydrogen 3.174 N/A TYR 202.A OH ASP 173.A OD1 no hydrogen 2.650 N/A HIS 203.A N TYR 199.A O no hydrogen 3.021 N/A GLN 204.A N THR 200.A O no hydrogen 2.953 N/A LEU 205.A N GLU 201.A O no hydrogen 3.021 N/A GLY 206.A N HIS 203.A O no hydrogen 3.192 N/A LEU 207.A N TYR 202.A O no hydrogen 2.803 N/A LYS 210.A NZ PRO 179.A O no hydrogen 3.007 N/A ARG 213.A N ASP 180.A O no hydrogen 2.884 N/A ARG 213.A NH1 TRP 305.A O no hydrogen 2.745 N/A ARG 213.A NH2 TRP 305.A O no hydrogen 3.074 N/A LEU 215.A N HIS 182.A O no hydrogen 2.766 N/A GLY 216.A N ARG 262.A O no hydrogen 3.010 N/A THR 217.A N LEU 184.A O no hydrogen 2.973 N/A GLN 218.A N LEU 264.A O no hydrogen 2.834 N/A GLN 218.A NE2 VAL 186.A O no hydrogen 2.964 N/A ALA 220.A N ALA 266.A O no hydrogen 2.652 N/A ALA 222.A N ALA 219.A O no hydrogen 3.000 N/A LEU 225.A N GLN 218.A OE1 no hydrogen 2.864 N/A VAL 226.A N ALA 223.A O no hydrogen 2.962 N/A LEU 227.A N ALA 223.A O no hydrogen 3.044 N/A GLY 228.A N PRO 224.A O no hydrogen 3.130 N/A VAL 231.A N GLY 244.A O no hydrogen 2.710 N/A GLU 235.A N GLY 221.A O no hydrogen 2.909 N/A THR 236.A OG1 ASP 268.A OD1 no hydrogen 2.943 N/A ILE 237.A N ASP 268.A OD2 no hydrogen 3.177 N/A ALA 238.A N THR 236.A OG1 no hydrogen 3.052 N/A THR 239.A OG1 ILE 237.A O no hydrogen 3.267 N/A ILE 241.A N ALA 238.A O no hydrogen 3.223 N/A ARG 242.A N THR 239.A O no hydrogen 3.009 N/A ILE 243.A N ILE 241.A O no hydrogen 2.788 N/A ALA 247.A N ASN 188.A OD1 no hydrogen 3.015 N/A SER 248.A N ASN 188.A O no hydrogen 2.998 N/A ALA 252.A N SER 248.A O no hydrogen 3.209 N/A ALA 252.A N TRP 249.A O no hydrogen 3.155 N/A VAL 253.A N TRP 249.A O no hydrogen 3.248 N/A GLU 254.A N THR 250.A O no hydrogen 3.026 N/A ALA 255.A N SER 251.A O no hydrogen 3.017 N/A GLN 256.A N ALA 252.A O no hydrogen 2.857 N/A GLN 256.A NE2 GLY 261.A O no hydrogen 2.559 N/A GLN 257.A N VAL 253.A O no hydrogen 2.762 N/A GLN 257.A NE2 GLN 256.A OE1 no hydrogen 3.000 N/A GLN 258.A N GLU 254.A O no hydrogen 2.709 N/A SER 259.A N ALA 255.A O no hydrogen 2.852 N/A SER 259.A OG ALA 255.A O no hydrogen 2.481 N/A GLY 261.A N GLN 256.A O no hydrogen 2.866 N/A ARG 262.A N MET 214.A O no hydrogen 3.089 N/A ARG 262.A NH2 ASP 303.A OD2 no hydrogen 2.935 N/A LEU 264.A N GLY 216.A O no hydrogen 3.054 N/A ALA 266.A N GLN 218.A O no hydrogen 2.802 N/A SER 267.A N GLU 270.A OE1 no hydrogen 3.039 N/A SER 267.A OG GLU 270.A OE1 no hydrogen 3.062 N/A GLU 270.A N SER 267.A OG no hydrogen 3.376 N/A ILE 271.A N SER 267.A O no hydrogen 2.851 N/A LEU 272.A N ASP 268.A O no hydrogen 2.695 N/A ALA 273.A N GLU 269.A O no hydrogen 2.741 N/A ALA 274.A N GLU 270.A O no hydrogen 3.093 N/A TYR 275.A N ILE 271.A O no hydrogen 2.822 N/A HIS 276.A N LEU 272.A O no hydrogen 3.169 N/A HIS 276.A ND1 LEU 272.A O no hydrogen 2.931 N/A LEU 277.A N ALA 273.A O no hydrogen 2.873 N/A VAL 278.A N ALA 274.A O no hydrogen 2.984 N/A ARG 280.A N HIS 276.A O no hydrogen 2.824 N/A GLU 282.A N VAL 278.A O no hydrogen 2.760 N/A GLU 287.A N GLY 318.A O no hydrogen 3.115 N/A SER 290.A OG THR 317.A OG1 no hydrogen 2.910 N/A SER 290.A OG GLY 318.A O no hydrogen 3.461 N/A ALA 291.A N GLU 287.A O no hydrogen 2.956 N/A ALA 292.A N PRO 288.A O no hydrogen 2.911 N/A SER 293.A OG ALA 183.A O no hydrogen 3.403 N/A SER 293.A OG THR 315.A O no hydrogen 3.471 N/A ALA 295.A N ALA 291.A O no hydrogen 2.786 N/A GLY 296.A N ALA 292.A O no hydrogen 2.845 N/A LEU 297.A N SER 293.A O no hydrogen 2.886 N/A LEU 298.A N ILE 294.A O no hydrogen 2.872 N/A LYS 299.A N ALA 295.A O no hydrogen 3.150 N/A ALA 300.A N GLY 296.A O no hydrogen 2.914 N/A ILE 301.A N LEU 297.A O no hydrogen 2.961 N/A ASP 302.A N LEU 298.A O no hydrogen 3.308 N/A ASP 303.A N LYS 299.A O no hydrogen 3.310 N/A GLY 304.A N ALA 300.A O no hydrogen 3.102 N/A VAL 306.A N ALA 300.A O no hydrogen 3.401 N/A GLY 309.A N GLY 43.A O no hydrogen 3.160 N/A SER 310.A N ALA 307.A O no hydrogen 3.295 N/A SER 310.A OG ALA 307.A O no hydrogen 2.760 N/A VAL 312.A N THR 45.A O no hydrogen 2.961 N/A VAL 313.A N VAL 181.A O no hydrogen 3.264 N/A CYS 314.A N HIS 47.A O no hydrogen 3.021 N/A CYS 314.A SG SER 293.A OG no hydrogen 2.773 N/A THR 315.A N ALA 183.A O no hydrogen 2.898 N/A THR 315.A OG1 HIS 182.A NE2 no hydrogen 2.490 N/A THR 315.A OG1 TYR 195.A OH no hydrogen 2.764 N/A VAL 316.A N LYS 49.A O no hydrogen 2.831 N/A THR 317.A OG1 SER 290.A OG no hydrogen 2.910 N/A GLY 318.A N SER 290.A OG no hydrogen 2.816 N/A ASN 319.A N GLY 57.A O no hydrogen 2.815 N/A ASN 319.A ND2 GLY 52.A O no hydrogen 3.329 N/A GLY 320.A N PHE 285.A O no hydrogen 2.999 N/A LEU 321.A N ASN 319.A OD1 no hydrogen 2.767 N/A LYS 322.A N ASN 319.A O no hydrogen 2.792 N/A LYS 322.A NZ THR 56.A O no hydrogen 2.986 N/A LYS 322.A NZ ASN 86.A OD1 no hydrogen 3.427 N/A LYS 322.A NZ GLN 118.A OE1 no hydrogen 2.794 N/A ASP 323.A N GLY 320.A O no hydrogen 3.130 N/A THR 326.A OG1 ASP 323.A OD1 no hydrogen 2.717 N/A THR 326.A OG1 ASP 323.A OD2 no hydrogen 3.430 N/A LEU 328.A N PRO 324.A O no hydrogen 3.007 N/A LYS 329.A N THR 326.A O no hydrogen 3.350 N/A VAL 345.A N PRO 341.A O no hydrogen 3.431 N/A GLU 346.A N ALA 343.A O no hydrogen 3.410 N/A LYS 347.A N ALA 343.A O no hydrogen 3.428 N/A GLY 349.A N VAL 345.A O no hydrogen 3.194 N/A