Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ket_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 2.A N MET 10.A O no hydrogen 2.722 N/A PHE 4.A N ARG 8.A O no hydrogen 2.615 N/A GLY 7.A N PHE 4.A O no hydrogen 2.818 N/A ARG 8.A N ASN 6.A OD1 no hydrogen 3.391 N/A MET 10.A N VAL 2.A O no hydrogen 2.423 N/A GLY 14.A N VAL 267.A O no hydrogen 2.880 N/A LEU 15.A N HIS 39.A O no hydrogen 2.927 N/A GLY 16.A N PRO 269.A O no hydrogen 2.722 N/A THR 17.A OG1 ASP 41.A O no hydrogen 2.521 N/A SER 20.A N THR 17.A O no hydrogen 2.717 N/A GLU 24.A N PRO 21.A O no hydrogen 2.947 N/A VAL 25.A N PRO 21.A O no hydrogen 2.683 N/A ALA 28.A N GLU 24.A O no hydrogen 3.029 N/A ILE 29.A N VAL 25.A O no hydrogen 3.035 N/A ILE 29.A N THR 26.A O no hydrogen 3.213 N/A ASP 30.A N THR 26.A O no hydrogen 3.040 N/A VAL 31.A N ALA 27.A O no hydrogen 2.910 N/A ALA 32.A N ALA 28.A O no hydrogen 2.872 N/A LEU 33.A N ILE 29.A O no hydrogen 2.884 N/A GLU 34.A N ASP 30.A O no hydrogen 3.078 N/A VAL 35.A N VAL 31.A O no hydrogen 2.830 N/A GLY 36.A N ALA 32.A O no hydrogen 2.960 N/A TYR 37.A N ALA 32.A O no hydrogen 2.920 N/A TYR 37.A OH ILE 277.A O no hydrogen 2.543 N/A ARG 38.A NH1 LEU 33.A O no hydrogen 2.963 N/A ARG 38.A NH1 TYR 37.A O no hydrogen 3.094 N/A ILE 40.A N PHE 71.A O no hydrogen 2.910 N/A ASP 41.A N LEU 15.A O no hydrogen 3.164 N/A THR 42.A N VAL 73.A O no hydrogen 2.672 N/A THR 42.A OG1 ASN 48.A OD1 no hydrogen 2.603 N/A ALA 43.A N THR 42.A OG1 no hydrogen 2.729 N/A TYR 46.A N ALA 43.A O no hydrogen 3.236 N/A ASN 48.A ND2 SER 20.A O no hydrogen 3.194 N/A ILE 52.A N ASN 48.A O no hydrogen 3.077 N/A GLY 53.A N GLU 49.A O no hydrogen 2.902 N/A LYS 54.A N ALA 50.A O no hydrogen 3.059 N/A THR 55.A N ALA 51.A O no hydrogen 3.143 N/A THR 55.A OG1 THR 26.A O no hydrogen 3.446 N/A THR 55.A OG1 ALA 51.A O no hydrogen 3.363 N/A LEU 56.A N ILE 52.A O no hydrogen 2.731 N/A LYS 57.A N GLY 53.A O no hydrogen 2.675 N/A LYS 58.A N LYS 54.A O no hydrogen 3.147 N/A TRP 59.A N THR 55.A O no hydrogen 3.073 N/A PHE 60.A N LEU 56.A O no hydrogen 2.770 N/A ASP 61.A N LYS 57.A O no hydrogen 2.851 N/A SER 62.A N LYS 58.A O no hydrogen 2.805 N/A ARG 67.A NH1 ASP 103.A OD1 no hydrogen 2.751 N/A ASP 69.A N LYS 66.A O no hydrogen 3.033 N/A VAL 70.A N ARG 67.A O no hydrogen 3.298 N/A PHE 71.A N ARG 38.A O no hydrogen 2.908 N/A ILE 72.A N ASP 103.A OD1 no hydrogen 2.835 N/A VAL 73.A N ILE 40.A O no hydrogen 2.960 N/A THR 74.A N LEU 104.A O no hydrogen 3.228 N/A THR 74.A OG1 GLU 49.A OE2 no hydrogen 2.942 N/A LYS 75.A N THR 74.A OG1 no hydrogen 2.885 N/A LYS 75.A NZ ASP 41.A OD1 no hydrogen 3.538 N/A LYS 75.A NZ ASP 41.A OD2 no hydrogen 2.805 N/A LEU 76.A N LEU 106.A O no hydrogen 2.793 N/A GLY 80.A N PRO 77.A O no hydrogen 2.546 N/A ARG 82.A N GLY 80.A O no hydrogen 2.677 N/A ARG 82.A NH1 ASP 133.A OD1 no hydrogen 2.361 N/A GLU 84.A N GLU 84.A OE1 no hydrogen 2.604 N/A SER 85.A N ARG 82.A O no hydrogen 3.039 N/A VAL 86.A N ALA 83.A O no hydrogen 3.436 N/A PHE 89.A N SER 85.A O no hydrogen 3.295 N/A LEU 90.A N VAL 86.A O no hydrogen 3.122 N/A THR 91.A N GLU 87.A O no hydrogen 2.887 N/A THR 91.A OG1 GLU 87.A O no hydrogen 2.575 N/A LYS 92.A N LYS 88.A O no hydrogen 2.959 N/A SER 93.A N PHE 89.A O no hydrogen 2.653 N/A SER 93.A OG GLU 49.A OE2 no hydrogen 3.210 N/A SER 93.A OG PHE 89.A O no hydrogen 3.099 N/A LEU 94.A N LEU 90.A O no hydrogen 2.798 N/A GLU 95.A N THR 91.A O no hydrogen 3.130 N/A ALA 96.A N LYS 92.A O no hydrogen 3.305 N/A LEU 97.A N SER 93.A O no hydrogen 2.939 N/A LEU 99.A N LEU 94.A O no hydrogen 3.086 N/A VAL 102.A N ARG 153.A O no hydrogen 3.057 N/A ASP 103.A N ILE 72.A O no hydrogen 2.843 N/A LEU 104.A N ILE 72.A O no hydrogen 3.193 N/A TYR 105.A N SER 156.A O no hydrogen 3.003 N/A LEU 106.A N THR 74.A O no hydrogen 3.190 N/A ILE 107.A N GLY 158.A O no hydrogen 3.098 N/A HIS 108.A N LEU 76.A O no hydrogen 3.365 N/A GLY 112.A N THR 136.A OG1 no hydrogen 3.172 N/A PHE 113.A N PRO 78.A O no hydrogen 2.649 N/A GLN 114.A NE2 ILE 132.A O no hydrogen 2.807 N/A GLY 125.A N GLU 129.A O no hydrogen 3.074 N/A LEU 131.A N PRO 123.A O no hydrogen 2.979 N/A ASP 133.A N GLY 112.A O no hydrogen 2.944 N/A SER 135.A N ASP 133.A OD2 no hydrogen 2.735 N/A SER 135.A OG ASP 133.A OD1 no hydrogen 3.280 N/A SER 135.A OG ASP 133.A OD2 no hydrogen 2.256 N/A THR 136.A OG1 ASP 133.A O no hydrogen 3.000 N/A SER 140.A N ASP 137.A OD2 no hydrogen 2.992 N/A SER 140.A OG ASP 137.A OD2 no hydrogen 2.105 N/A LEU 141.A N ASP 137.A O no hydrogen 3.050 N/A TRP 142.A N LEU 138.A O no hydrogen 2.675 N/A LYS 143.A N ILE 139.A O no hydrogen 3.261 N/A LYS 143.A NZ SER 173.A O no hydrogen 3.470 N/A ALA 144.A N SER 140.A O no hydrogen 3.428 N/A MET 145.A N LEU 141.A O no hydrogen 3.154 N/A GLU 146.A N TRP 142.A O no hydrogen 2.857 N/A ALA 147.A N LYS 143.A O no hydrogen 2.995 N/A GLN 148.A N MET 145.A O no hydrogen 2.869 N/A GLN 148.A NE2 ALA 144.A O no hydrogen 3.565 N/A VAL 149.A N MET 145.A O no hydrogen 3.424 N/A ASP 150.A N GLU 146.A O no hydrogen 3.370 N/A ALA 151.A N ALA 147.A O no hydrogen 3.276 N/A GLY 152.A N VAL 149.A O no hydrogen 3.118 N/A ARG 153.A N GLN 148.A O no hydrogen 3.179 N/A ARG 153.A NH1 GLN 148.A OE1 no hydrogen 2.092 N/A THR 154.A OG1 VAL 102.A O no hydrogen 3.541 N/A THR 154.A OG1 SER 156.A O no hydrogen 2.540 N/A ARG 155.A N VAL 102.A O no hydrogen 2.918 N/A SER 156.A N ASP 103.A O no hydrogen 2.961 N/A SER 156.A OG ASN 6.A OD1 no hydrogen 3.510 N/A GLY 158.A N TYR 105.A O no hydrogen 2.898 N/A LEU 159.A N ASN 180.A O no hydrogen 2.852 N/A SER 160.A N ILE 107.A O no hydrogen 3.021 N/A SER 160.A OG ASN 161.A OD1 no hydrogen 3.475 N/A SER 160.A OG GLN 182.A O no hydrogen 2.699 N/A ASN 161.A N GLN 182.A O no hydrogen 3.075 N/A ASN 161.A ND2 TYR 208.A OH no hydrogen 2.940 N/A ASN 163.A N GLN 166.A OE1 no hydrogen 3.210 N/A ASN 163.A ND2 PRO 323.A O no hydrogen 3.334 N/A SER 164.A N TYR 328.A O no hydrogen 2.882 N/A SER 164.A N TYR 328.A OXT no hydrogen 3.346 N/A SER 164.A OG TYR 328.A O no hydrogen 3.088 N/A SER 164.A OG TYR 328.A OXT no hydrogen 2.664 N/A GLN 166.A N ASN 163.A OD1 no hydrogen 2.891 N/A GLN 166.A NE2 GLU 321.A OE1 no hydrogen 2.988 N/A ILE 167.A N ASN 163.A O no hydrogen 3.049 N/A ALA 168.A N SER 164.A O no hydrogen 2.720 N/A ARG 169.A N ARG 165.A O no hydrogen 2.816 N/A ARG 169.A NH1 GLU 321.A OE2 no hydrogen 3.053 N/A ILE 170.A N GLN 166.A O no hydrogen 3.070 N/A VAL 171.A N ILE 167.A O no hydrogen 2.856 N/A LYS 172.A N ALA 168.A O no hydrogen 3.032 N/A SER 173.A N ILE 170.A O no hydrogen 3.000 N/A SER 173.A OG ILE 170.A O no hydrogen 2.707 N/A ALA 174.A N VAL 171.A O no hydrogen 3.107 N/A ARG 175.A N GLU 146.A OE2 no hydrogen 2.594 N/A ARG 175.A NH2 ASP 150.A OD2 no hydrogen 2.146 N/A ILE 176.A N GLU 146.A OE2 no hydrogen 3.064 N/A ALA 179.A N VAL 157.A O no hydrogen 2.827 N/A LEU 181.A N THR 204.A O no hydrogen 2.742 N/A GLN 182.A N LEU 159.A O no hydrogen 2.831 N/A VAL 183.A N CYS 206.A O no hydrogen 3.310 N/A LEU 185.A N TYR 208.A O no hydrogen 3.209 N/A ASN 186.A N PHE 189.A O no hydrogen 3.068 N/A ASN 186.A ND2 ALA 209.A O no hydrogen 3.015 N/A TYR 188.A N ASN 186.A OD1 no hydrogen 2.862 N/A TYR 188.A OH ASP 238.A OD2 no hydrogen 2.993 N/A PHE 189.A N ASN 186.A O no hydrogen 3.064 N/A GLN 190.A N ASP 300.A OD1 no hydrogen 3.283 N/A GLN 190.A NE2 ASP 297.A OD1 no hydrogen 3.222 N/A GLN 191.A NE2 GLU 184.A O no hydrogen 3.016 N/A VAL 195.A N GLN 191.A O no hydrogen 2.926 N/A ALA 196.A N ARG 192.A O no hydrogen 3.113 N/A PHE 197.A N GLU 193.A O no hydrogen 2.961 N/A CYS 198.A N LEU 194.A O no hydrogen 2.951 N/A CYS 198.A SG LEU 194.A O no hydrogen 3.359 N/A ARG 199.A N VAL 195.A O no hydrogen 2.736 N/A ALA 200.A N ALA 196.A O no hydrogen 3.150 N/A LEU 201.A N CYS 198.A O no hydrogen 2.916 N/A ASP 202.A N ARG 199.A O no hydrogen 3.129 N/A ILE 203.A N CYS 198.A O no hydrogen 2.761 N/A THR 204.A N ALA 179.A O no hydrogen 3.444 N/A THR 204.A OG1 ALA 179.A O no hydrogen 3.000 N/A THR 204.A OG1 ASN 180.A OD1 no hydrogen 3.399 N/A CYS 206.A N LEU 181.A O no hydrogen 2.768 N/A CYS 206.A SG VAL 266.A O no hydrogen 3.975 N/A ALA 207.A N VAL 266.A O no hydrogen 2.584 N/A TYR 208.A N VAL 183.A O no hydrogen 3.164 N/A GLY 212.A N ALA 209.A O no hydrogen 3.201 N/A LEU 216.A N SER 213.A O no hydrogen 3.122 N/A VAL 219.A N GLY 215.A O no hydrogen 3.164 N/A ILE 220.A N LEU 216.A O no hydrogen 2.630 N/A LYS 221.A N ALA 217.A O no hydrogen 3.028 N/A ALA 222.A N ASN 218.A O no hydrogen 3.011 N/A ARG 223.A N VAL 219.A O no hydrogen 3.022 N/A ALA 225.A N ILE 220.A O no hydrogen 3.317 N/A ALA 225.A N ARG 223.A O no hydrogen 2.776 N/A SER 230.A OG ARG 306.A O no hydrogen 2.320 N/A ALA 231.A N PRO 228.A O no hydrogen 3.229 N/A LYS 232.A N GLU 229.A O no hydrogen 2.996 N/A LEU 236.A N ASP 234.A OD1 no hydrogen 3.270 N/A THR 237.A N ASP 234.A O no hydrogen 2.891 N/A THR 237.A OG1 ASP 234.A O no hydrogen 2.845 N/A VAL 240.A N ASP 238.A OD1 no hydrogen 2.675 N/A LEU 242.A N ASP 238.A O no hydrogen 3.111 N/A LYS 243.A N PRO 239.A O no hydrogen 2.766 N/A ILE 244.A N VAL 240.A O no hydrogen 3.009 N/A ALA 245.A N VAL 241.A O no hydrogen 2.829 N/A GLU 246.A N LEU 242.A O no hydrogen 3.028 N/A HIS 247.A N LYS 243.A O no hydrogen 3.324 N/A HIS 248.A N ILE 244.A O no hydrogen 3.355 N/A HIS 248.A N ALA 245.A O no hydrogen 3.267 N/A HIS 248.A NE2 GLU 292.A OE1 no hydrogen 2.641 N/A HIS 248.A NE2 GLU 292.A OE2 no hydrogen 2.765 N/A LYS 249.A N GLU 246.A O no hydrogen 3.283 N/A LYS 250.A N ALA 245.A O no hydrogen 3.066 N/A LYS 250.A NZ GLN 282.A O no hydrogen 3.314 N/A LYS 250.A NZ ASP 285.A OD1 no hydrogen 2.842 N/A LYS 250.A NZ ASP 285.A OD2 no hydrogen 2.308 N/A THR 251.A N GLN 254.A OE1 no hydrogen 2.278 N/A THR 251.A OG1 GLN 254.A OE1 no hydrogen 2.736 N/A THR 251.A OG1 GLU 279.A OE1 no hydrogen 2.460 N/A GLN 254.A NE2 GLU 279.A O no hydrogen 3.320 N/A GLN 254.A NE2 GLN 282.A O no hydrogen 3.078 N/A VAL 255.A N THR 251.A O no hydrogen 3.005 N/A LEU 256.A N PRO 252.A O no hydrogen 2.889 N/A LEU 257.A N ALA 253.A O no hydrogen 2.937 N/A ARG 258.A N GLN 254.A O no hydrogen 2.902 N/A HIS 259.A N VAL 255.A O no hydrogen 3.046 N/A CYS 260.A SG LEU 256.A O no hydrogen 3.512 N/A MET 261.A N LEU 257.A O no hydrogen 2.947 N/A GLN 262.A N ARG 258.A O no hydrogen 2.915 N/A ARG 263.A N CYS 260.A O no hydrogen 2.910 N/A ASP 264.A N MET 261.A O no hydrogen 2.846 N/A VAL 266.A N VAL 205.A O no hydrogen 3.132 N/A VAL 267.A N VAL 12.A O no hydrogen 2.811 N/A ILE 268.A N ALA 207.A O no hydrogen 3.260 N/A LYS 270.A NZ GLN 19.A O no hydrogen 3.372 N/A SER 271.A OG ASN 273.A O no hydrogen 3.347 N/A THR 272.A OG1 GLU 24.A OE1 no hydrogen 3.297 N/A ASN 273.A N SER 271.A OG no hydrogen 3.091 N/A ARG 276.A N ASN 273.A OD1 no hydrogen 2.474 N/A ILE 277.A N ASN 273.A O no hydrogen 2.763 N/A LYS 278.A N ALA 274.A O no hydrogen 3.450 N/A GLU 279.A N GLY 275.A O no hydrogen 2.773 N/A ASN 280.A N ARG 276.A O no hydrogen 2.997 N/A PHE 281.A N LYS 278.A O no hydrogen 3.203 N/A GLN 282.A N LYS 278.A O no hydrogen 3.363 N/A SER 289.A N GLU 292.A OE2 no hydrogen 2.711 N/A SER 289.A OG GLU 292.A OE2 no hydrogen 2.724 N/A GLU 292.A N SER 289.A OG no hydrogen 2.957 N/A VAL 293.A N SER 289.A O no hydrogen 3.209 N/A ASP 294.A N ALA 291.A O no hydrogen 3.133 N/A GLU 295.A N ALA 291.A O no hydrogen 3.259 N/A LEU 296.A N GLU 292.A O no hydrogen 3.002 N/A ASP 297.A N VAL 293.A O no hydrogen 2.643 N/A SER 298.A N ASP 294.A O no hydrogen 3.017 N/A SER 298.A OG ASP 294.A O no hydrogen 3.255 N/A LEU 299.A N LEU 296.A O no hydrogen 3.199 N/A ASP 300.A N ASP 297.A O no hydrogen 3.255 N/A LYS 301.A N TYR 188.A O no hydrogen 2.874 N/A ARG 302.A N ASP 300.A OD1 no hydrogen 2.683 N/A ARG 307.A N GLU 184.A OE2 no hydrogen 2.880 N/A PHE 308.A N GLU 184.A OE1 no hydrogen 3.005 N/A ARG 309.A NH1 ARG 306.A O no hydrogen 2.744 N/A LEU 316.A N TYR 313.A O no hydrogen 3.242 N/A ARG 317.A N TYR 313.A O no hydrogen 3.252 N/A GLU 318.A N LYS 314.A O no hydrogen 2.937 N/A HIS 319.A N LEU 316.A O no hydrogen 3.272 N/A HIS 322.A NE2 MET 310.A O no hydrogen 2.496 N/A