Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mpd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N LEU 315.A O no hydrogen 2.735 N/A LEU 4.A N ILE 96.A O no hydrogen 3.111 N/A TYR 5.A N THR 313.A O no hydrogen 2.652 N/A LEU 6.A N VAL 98.A O no hydrogen 2.885 N/A ARG 8.A NE GLU 100.A OE1 no hydrogen 3.443 N/A ARG 8.A NH1 GLU 79.A OE1 no hydrogen 3.426 N/A ARG 8.A NH1 GLU 79.A OE2 no hydrogen 2.737 N/A ARG 8.A NH2 GLU 79.A OE1 no hydrogen 3.054 N/A ARG 8.A NH2 GLU 100.A OE2 no hydrogen 3.231 N/A ASP 10.A N ASN 7.A OD1 no hydrogen 2.820 N/A ILE 11.A N ASN 7.A O no hydrogen 2.907 N/A GLU 12.A N ARG 8.A O no hydrogen 2.834 N/A GLN 13.A N SER 9.A O no hydrogen 2.945 N/A GLN 13.A NE2 GLN 13.A O no hydrogen 3.320 N/A ALA 14.A N ASP 10.A O no hydrogen 2.844 N/A GLY 15.A N GLU 12.A O no hydrogen 3.090 N/A GLY 16.A N ILE 11.A O no hydrogen 2.736 N/A HIS 18.A ND1 GLU 146.A OE2 no hydrogen 3.071 N/A SER 19.A N GLU 146.A OE1 no hydrogen 3.044 N/A SER 19.A OG GLU 146.A OE1 no hydrogen 2.757 N/A GLN 20.A NE2 ASP 24.A OD1 no hydrogen 3.109 N/A TYR 22.A OH GLY 16.A O no hydrogen 2.648 N/A VAL 23.A N SER 19.A O no hydrogen 2.905 N/A ASP 24.A N GLN 20.A O no hydrogen 3.040 N/A ALA 25.A N VAL 21.A O no hydrogen 3.050 N/A LEU 26.A N TYR 22.A O no hydrogen 2.933 N/A THR 27.A N VAL 23.A O no hydrogen 2.971 N/A THR 27.A OG1 VAL 23.A O no hydrogen 2.529 N/A GLU 28.A N ASP 24.A O no hydrogen 3.143 N/A ALA 29.A N ALA 25.A O no hydrogen 2.785 N/A LEU 30.A N LEU 26.A O no hydrogen 2.613 N/A THR 31.A N THR 27.A O no hydrogen 3.256 N/A THR 31.A OG1 THR 27.A O no hydrogen 2.518 N/A ALA 32.A N GLU 28.A O no hydrogen 3.191 N/A HIS 33.A N ALA 29.A O no hydrogen 2.951 N/A HIS 33.A NE2 ASP 241.A OD2 no hydrogen 2.946 N/A ALA 34.A N LEU 30.A O no hydrogen 2.984 N/A HIS 35.A N THR 31.A O no hydrogen 3.354 N/A ASN 36.A N HIS 33.A O no hydrogen 3.123 N/A ASP 37.A N ALA 32.A O no hydrogen 2.892 N/A VAL 39.A N HIS 58.A O no hydrogen 3.117 N/A LYS 43.A NZ GLY 290.A O no hydrogen 3.465 N/A LEU 46.A N ILE 52.A O no hydrogen 2.605 N/A ARG 51.A N SER 68.A O no hydrogen 2.996 N/A ILE 52.A N LEU 46.A O no hydrogen 2.808 N/A ILE 53.A N ILE 66.A O no hydrogen 3.213 N/A ALA 54.A N PRO 44.A O no hydrogen 3.341 N/A MET 55.A N LYS 64.A O no hydrogen 2.837 N/A SER 57.A N GLY 62.A O no hydrogen 2.973 N/A HIS 58.A N VAL 39.A O no hydrogen 3.061 N/A HIS 58.A ND1 SER 61.A OG no hydrogen 2.652 N/A ILE 59.A N ILE 60.A O no hydrogen 2.825 N/A SER 61.A N ASN 88.A O no hydrogen 3.250 N/A SER 61.A OG HIS 58.A ND1 no hydrogen 2.652 N/A GLY 62.A N SER 57.A O no hydrogen 3.104 N/A ILE 63.A N ILE 86.A O no hydrogen 3.005 N/A LYS 64.A N MET 55.A O no hydrogen 2.899 N/A LYS 64.A NZ SER 105.A OG no hydrogen 2.912 N/A LYS 64.A NZ ASP 295.A OD1 no hydrogen 2.657 N/A TRP 65.A N VAL 84.A O no hydrogen 2.842 N/A ILE 66.A N ILE 53.A O no hydrogen 3.382 N/A GLY 67.A N SER 82.A O no hydrogen 2.550 N/A SER 68.A N ARG 51.A O no hydrogen 2.804 N/A SER 68.A OG ALA 49.A O no hydrogen 2.904 N/A LYS 69.A NZ ASN 72.A OD1 no hydrogen 2.265 N/A HIS 70.A N ASP 50.A OD1 no hydrogen 3.230 N/A ASN 72.A N LYS 69.A O no hydrogen 3.362 N/A SER 74.A OG ASP 71.A O no hydrogen 2.849 N/A LYS 75.A N ASP 71.A O no hydrogen 2.747 N/A ARG 76.A N ASN 72.A O no hydrogen 3.180 N/A MET 78.A N ASN 72.A O no hydrogen 3.043 N/A ARG 80.A NH2 SER 68.A OG no hydrogen 2.880 N/A SER 82.A N GLY 67.A O no hydrogen 2.979 N/A VAL 84.A N TRP 65.A O no hydrogen 3.191 N/A ILE 85.A N MET 99.A O no hydrogen 2.608 N/A ILE 86.A N ILE 63.A O no hydrogen 2.915 N/A LEU 87.A N ALA 97.A O no hydrogen 3.097 N/A ASN 88.A N SER 61.A O no hydrogen 2.852 N/A ASN 88.A ND2 ASN 93.A O no hydrogen 3.103 N/A ASP 89.A N TYR 94.A O no hydrogen 3.041 N/A THR 92.A N ASP 89.A O no hydrogen 2.584 N/A THR 92.A OG1 ASP 89.A O no hydrogen 3.458 N/A THR 92.A OG1 ASP 89.A OD2 no hydrogen 3.035 N/A ASN 93.A N ASP 89.A O no hydrogen 2.223 N/A TYR 94.A OH TYR 318.A OH no hydrogen 3.100 N/A ILE 96.A N LEU 87.A O no hydrogen 2.669 N/A VAL 98.A N LEU 4.A O no hydrogen 2.985 N/A MET 99.A N ILE 85.A O no hydrogen 2.856 N/A GLU 100.A N LEU 6.A O no hydrogen 3.022 N/A ALA 101.A N GLY 83.A O no hydrogen 3.159 N/A SER 102.A N GLU 100.A OE2 no hydrogen 3.043 N/A LEU 103.A N GLU 100.A OE1 no hydrogen 3.380 N/A SER 105.A N ALA 101.A O no hydrogen 2.704 N/A SER 106.A N SER 102.A O no hydrogen 3.000 N/A SER 106.A OG SER 102.A O no hydrogen 3.112 N/A SER 106.A OG LEU 103.A O no hydrogen 2.712 N/A MET 107.A N LEU 103.A O no hydrogen 2.978 N/A ARG 108.A N ILE 104.A O no hydrogen 2.955 N/A ARG 108.A NE ASP 295.A OD1 no hydrogen 2.525 N/A ARG 108.A NH2 ASP 295.A OD2 no hydrogen 2.825 N/A THR 109.A N SER 105.A O no hydrogen 3.180 N/A THR 109.A OG1 SER 105.A O no hydrogen 2.407 N/A ALA 110.A N SER 106.A O no hydrogen 2.962 N/A ALA 111.A N MET 107.A O no hydrogen 2.868 N/A VAL 112.A N ARG 108.A O no hydrogen 2.965 N/A SER 113.A N THR 109.A O no hydrogen 3.497 N/A SER 113.A OG GLN 140.A OE1 no hydrogen 2.817 N/A SER 113.A OG SER 219.A OG no hydrogen 2.787 N/A VAL 114.A N ALA 110.A O no hydrogen 3.175 N/A ILE 115.A N ALA 111.A O no hydrogen 2.956 N/A ALA 116.A N VAL 112.A O no hydrogen 2.995 N/A ALA 117.A N SER 113.A O no hydrogen 2.783 N/A LYS 118.A N VAL 114.A O no hydrogen 2.935 N/A HIS 119.A N ALA 116.A O no hydrogen 3.007 N/A HIS 119.A ND1 ILE 115.A O no hydrogen 3.231 N/A LEU 120.A N ALA 116.A O no hydrogen 2.571 N/A ALA 121.A N ALA 117.A O no hydrogen 2.983 N/A LYS 126.A N GLU 194.A OE1 no hydrogen 2.570 N/A LYS 126.A NZ GLU 152.A OE2 no hydrogen 3.281 N/A ASP 127.A N GLU 194.A OE1 no hydrogen 2.927 N/A LEU 128.A N ARG 153.A O no hydrogen 2.895 N/A THR 129.A N VAL 195.A O no hydrogen 2.766 N/A THR 129.A OG1 ALA 189.A O no hydrogen 2.575 N/A ILE 130.A N PHE 155.A O no hydrogen 2.723 N/A ILE 131.A N ILE 197.A O no hydrogen 2.953 N/A GLY 132.A N TYR 157.A O no hydrogen 2.821 N/A CYS 133.A N ASP 158.A OD2 no hydrogen 2.693 N/A ASP 138.A N GLY 134.A O no hydrogen 3.135 N/A LYS 139.A N LEU 135.A O no hydrogen 3.215 N/A LYS 139.A NZ GLN 142.A OE1 no hydrogen 3.253 N/A GLN 140.A N ILE 136.A O no hydrogen 2.813 N/A LEU 141.A N GLY 137.A O no hydrogen 3.006 N/A GLN 142.A N ASP 138.A O no hydrogen 2.989 N/A GLN 142.A NE2 ASN 17.A O no hydrogen 2.776 N/A GLN 142.A NE2 GLU 146.A OE2 no hydrogen 3.122 N/A SER 143.A N LYS 139.A O no hydrogen 2.935 N/A SER 143.A OG LYS 139.A O no hydrogen 2.997 N/A MET 144.A N GLN 140.A O no hydrogen 3.056 N/A LEU 145.A N LEU 141.A O no hydrogen 3.113 N/A GLU 146.A N GLN 142.A O no hydrogen 3.127 N/A GLN 147.A N SER 143.A O no hydrogen 2.979 N/A GLN 147.A NE2 SER 19.A OG no hydrogen 3.041 N/A GLN 147.A NE2 GLN 20.A OE1 no hydrogen 2.846 N/A PHE 148.A N MET 144.A O no hydrogen 2.823 N/A GLU 152.A N LYS 126.A O no hydrogen 2.886 N/A ARG 153.A N LYS 126.A O no hydrogen 3.210 N/A ARG 153.A NE ASP 127.A OD1 no hydrogen 3.081 N/A ARG 153.A NH2 ASP 127.A OD1 no hydrogen 3.539 N/A ARG 153.A NH2 ASP 127.A OD2 no hydrogen 3.149 N/A VAL 154.A N ASN 179.A O no hydrogen 2.958 N/A PHE 155.A N LEU 128.A O no hydrogen 2.698 N/A VAL 156.A N ILE 181.A O no hydrogen 2.935 N/A TYR 157.A N ILE 130.A O no hydrogen 3.045 N/A PHE 160.A N ASP 158.A OD1 no hydrogen 2.751 N/A CYS 164.A N PHE 160.A O no hydrogen 3.074 N/A CYS 164.A SG VAL 156.A O no hydrogen 3.468 N/A ALA 165.A N SER 161.A O no hydrogen 2.959 N/A ARG 166.A N GLU 162.A O no hydrogen 2.804 N/A PHE 167.A N ALA 163.A O no hydrogen 3.079 N/A VAL 168.A N CYS 164.A O no hydrogen 2.844 N/A ASP 169.A N ALA 165.A O no hydrogen 2.952 N/A ARG 170.A N ARG 166.A O no hydrogen 3.251 N/A ARG 170.A NH1 ASP 138.A OD1 no hydrogen 3.193 N/A ARG 170.A NH2 ASP 138.A OD1 no hydrogen 2.579 N/A TRP 171.A N PHE 167.A O no hydrogen 3.214 N/A TRP 171.A NE1 ASP 138.A OD1 no hydrogen 2.887 N/A GLN 172.A N VAL 168.A O no hydrogen 2.845 N/A GLN 172.A NE2 GLN 172.A O no hydrogen 3.118 N/A GLN 172.A NE2 ILE 178.A O no hydrogen 2.838 N/A GLN 173.A N ASP 169.A O no hydrogen 3.081 N/A GLN 174.A N ARG 170.A O no hydrogen 2.962 N/A ARG 175.A N TRP 171.A O no hydrogen 2.877 N/A ARG 175.A NE GLU 177.A OE2 no hydrogen 2.375 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.664 N/A ILE 178.A N ARG 175.A O no hydrogen 3.041 N/A ASN 179.A N GLU 152.A O no hydrogen 3.174 N/A PHE 180.A N GLN 172.A OE1 no hydrogen 3.123 N/A ILE 181.A N VAL 154.A O no hydrogen 2.881 N/A THR 183.A N VAL 156.A O no hydrogen 3.151 N/A THR 183.A OG1 VAL 156.A O no hydrogen 3.436 N/A THR 183.A OG1 ASN 185.A O no hydrogen 2.937 N/A GLU 188.A N ASN 185.A OD1 no hydrogen 3.051 N/A VAL 190.A N ALA 186.A O no hydrogen 2.854 N/A SER 191.A N LYS 187.A O no hydrogen 2.808 N/A SER 191.A OG LYS 187.A O no hydrogen 2.402 N/A ASN 192.A N GLU 188.A O no hydrogen 3.259 N/A ASN 192.A ND2 GLU 188.A O no hydrogen 2.536 N/A GLY 193.A N VAL 190.A O no hydrogen 3.182 N/A GLU 194.A N ASP 127.A O no hydrogen 3.011 N/A VAL 195.A N ASP 127.A O no hydrogen 3.233 N/A VAL 196.A N PHE 217.A O no hydrogen 2.833 N/A ILE 197.A N THR 129.A O no hydrogen 2.873 N/A THR 198.A N SER 219.A O no hydrogen 3.291 N/A THR 198.A OG1 ASN 220.A OD1 no hydrogen 2.777 N/A THR 198.A OG1 SER 222.A OG no hydrogen 2.981 N/A CYS 199.A N ILE 131.A O no hydrogen 2.517 N/A CYS 199.A SG ILE 197.A O no hydrogen 3.995 N/A THR 200.A N SER 222.A OG no hydrogen 3.227 N/A THR 200.A OG1 ASP 225.A OD1 no hydrogen 3.328 N/A THR 200.A OG1 ASP 225.A OD2 no hydrogen 2.494 N/A THR 202.A OG1.A GLN 204.A O no hydrogen 3.231 N/A THR 202.A OG1.B GLN 204.A O no hydrogen 3.471 N/A GLN 204.A N THR 202.A OG1.A no hydrogen 3.140 N/A GLN 204.A N THR 202.A OG1.B no hydrogen 3.350 N/A TYR 206.A N ASP 225.A O no hydrogen 2.918 N/A TYR 206.A OH ASP 225.A OD2 no hydrogen 2.573 N/A ILE 207.A N ASP 225.A O no hydrogen 3.049 N/A TYR 209.A N GLU 229.A OE1 no hydrogen 2.846 N/A TRP 211.A N GLU 208.A O no hydrogen 3.323 N/A LEU 212.A N TYR 209.A O no hydrogen 3.083 N/A GLN 213.A NE2 SER 191.A O no hydrogen 2.721 N/A ALA 216.A N GLN 213.A O no hydrogen 3.232 N/A PHE 217.A N GLU 194.A O no hydrogen 2.914 N/A ILE 218.A N ILE 284.A O no hydrogen 2.965 N/A SER 219.A N VAL 196.A O no hydrogen 2.685 N/A SER 219.A OG SER 113.A OG no hydrogen 2.787 N/A ASN 220.A N LEU 286.A O no hydrogen 2.895 N/A ASN 220.A ND2 ILE 223.A O no hydrogen 2.717 N/A ASN 220.A ND2 ASN 287.A OD1 no hydrogen 3.136 N/A ILE 221.A N SER 219.A O no hydrogen 2.801 N/A SER 222.A N THR 198.A O no hydrogen 3.011 N/A SER 222.A N THR 198.A OG1 no hydrogen 3.243 N/A SER 222.A OG THR 198.A OG1 no hydrogen 2.981 N/A SER 222.A OG ASP 225.A OD1 no hydrogen 2.471 N/A ILE 223.A N ASN 220.A O no hydrogen 3.235 N/A MET 224.A N SER 222.A O no hydrogen 2.593 N/A HIS 227.A N ILE 207.A O no hydrogen 3.228 N/A LYS 228.A NZ GLN 250.A OE1 no hydrogen 3.096 N/A VAL 230.A N HIS 227.A O no hydrogen 3.178 N/A PHE 231.A N LYS 228.A O no hydrogen 3.092 N/A ILE 232.A N GLU 229.A O no hydrogen 3.244 N/A LYS 233.A N GLU 229.A O no hydrogen 2.900 N/A LYS 233.A NZ GLU 229.A OE2 no hydrogen 3.292 N/A ALA 234.A N VAL 230.A O no hydrogen 2.936 N/A ASP 235.A N ILE 283.A O no hydrogen 2.909 N/A LYS 236.A N ILE 283.A O no hydrogen 3.508 N/A LYS 236.A NZ GLU 278.A OE1 no hydrogen 3.489 N/A LYS 236.A NZ GLU 282.A OE2 no hydrogen 2.485 N/A VAL 238.A N LEU 285.A O no hydrogen 2.747 N/A VAL 239.A N ALA 264.A O no hydrogen 3.305 N/A ASP 241.A N ASP 240.A OD1 no hydrogen 2.461 N/A TRP 242.A N GLU 265.A OE2 no hydrogen 2.851 N/A SER 243.A OG ASP 241.A OD1 no hydrogen 2.337 N/A GLN 244.A N ASP 241.A OD1 no hydrogen 2.634 N/A CYS 245.A N ASP 241.A O no hydrogen 3.067 N/A CYS 245.A SG ASP 241.A O no hydrogen 3.236 N/A CYS 245.A SG ASN 287.A O no hydrogen 4.026 N/A ASN 246.A N TRP 242.A O no hydrogen 3.297 N/A ASN 246.A ND2 TRP 242.A O no hydrogen 2.906 N/A VAL 252.A N ILE 248.A O no hydrogen 2.875 N/A LEU 253.A N ASN 249.A O no hydrogen 2.619 N/A GLU 254.A N GLN 250.A O no hydrogen 2.642 N/A LYS 256.A N LEU 251.A O no hydrogen 3.196 N/A LYS 256.A NZ GLU 254.A OE1 no hydrogen 2.655 N/A PHE 257.A N LEU 251.A O no hydrogen 3.000 N/A SER 258.A OG GLU 260.A OE1 no hydrogen 3.018 N/A ALA 261.A N SER 258.A O no hydrogen 3.267 N/A LEU 262.A N LYS 259.A O no hydrogen 3.033 N/A HIS 263.A N VAL 237.A O no hydrogen 3.027 N/A HIS 263.A NE2 PRO 275.A O no hydrogen 2.899 N/A GLU 265.A N GLN 268.A OE1 no hydrogen 2.879 N/A LEU 266.A N VAL 239.A O no hydrogen 2.724 N/A GLN 268.A N GLU 265.A O no hydrogen 2.829 N/A LEU 269.A N LEU 266.A O no hydrogen 3.195 N/A VAL 270.A N LEU 266.A O no hydrogen 3.365 N/A THR 271.A N GLY 267.A O no hydrogen 3.182 N/A THR 271.A OG1 GLY 267.A O no hydrogen 3.242 N/A THR 271.A OG1 GLN 268.A O no hydrogen 3.285 N/A THR 271.A OG1 ASP 273.A OD2 no hydrogen 2.683 N/A GLY 272.A N LEU 269.A O no hydrogen 3.308 N/A ASP 273.A N GLN 268.A O no hydrogen 2.941 N/A ILE 274.A N GLN 268.A O no hydrogen 3.361 N/A ARG 277.A N HIS 119.A O no hydrogen 3.022 N/A ARG 277.A NE LEU 120.A O no hydrogen 2.618 N/A ARG 277.A NH1 ASP 279.A O no hydrogen 3.036 N/A ARG 277.A NH1 GLU 282.A O no hydrogen 2.670 N/A ARG 277.A NH2 LEU 120.A O no hydrogen 3.062 N/A ARG 277.A NH2 ALA 216.A O no hydrogen 3.305 N/A ARG 277.A NH2 GLU 282.A O no hydrogen 3.045 N/A GLU 278.A N GLU 282.A OE1 no hydrogen 3.057 N/A ASP 281.A N ASP 279.A OD1 no hydrogen 2.816 N/A GLU 282.A N ASP 279.A OD1 no hydrogen 3.258 N/A ILE 283.A N ASP 235.A OD2 no hydrogen 2.732 N/A ILE 284.A N ALA 216.A O no hydrogen 3.083 N/A LEU 285.A N LYS 236.A O no hydrogen 2.934 N/A LEU 286.A N ILE 218.A O no hydrogen 2.928 N/A ASN 287.A N VAL 238.A O no hydrogen 2.681 N/A ASN 287.A ND2 ASN 287.A O no hydrogen 3.132 N/A MET 289.A N ASP 240.A OD1 no hydrogen 3.356 N/A GLY 290.A N ASP 240.A OD2 no hydrogen 2.737 N/A MET 291.A N GLU 294.A OE1 no hydrogen 3.261 N/A ILE 293.A N GLN 40.A OE1 no hydrogen 2.969 N/A GLU 294.A N MET 291.A O no hydrogen 3.014 N/A ASP 295.A N ALA 292.A O no hydrogen 3.052 N/A ILE 296.A N ALA 292.A O no hydrogen 2.985 N/A SER 297.A N ILE 293.A O no hydrogen 3.074 N/A SER 297.A OG ILE 293.A O no hydrogen 2.686 N/A SER 297.A OG GLU 294.A O no hydrogen 3.228 N/A SER 298.A N GLU 294.A O no hydrogen 3.386 N/A SER 298.A OG GLU 294.A O no hydrogen 2.615 N/A ALA 299.A N ASP 295.A O no hydrogen 2.835 N/A TYR 300.A N ILE 296.A O no hydrogen 2.865 N/A PHE 301.A N SER 297.A O no hydrogen 3.070 N/A ILE 302.A N SER 298.A O no hydrogen 3.072 N/A TYR 303.A N ALA 299.A O no hydrogen 2.705 N/A GLN 304.A N TYR 300.A O no hydrogen 3.009 N/A GLN 305.A N PHE 301.A O no hydrogen 3.068 N/A ALA 306.A N ILE 302.A O no hydrogen 2.818 N/A GLN 307.A N TYR 303.A O no hydrogen 3.048 N/A GLN 308.A N GLN 304.A O no hydrogen 2.996 N/A GLN 309.A N GLN 305.A O no hydrogen 3.332 N/A GLN 309.A N ALA 306.A O no hydrogen 3.252 N/A ASN 310.A N GLN 307.A O no hydrogen 3.089 N/A ILE 311.A N ALA 306.A O no hydrogen 2.579 N/A THR 313.A N TYR 5.A O no hydrogen 2.918 N/A LEU 315.A N MET 3.A O no hydrogen 2.577 N/A ASN 316.A ND2 GLU 2.A OE2 no hydrogen 3.552 N/A LEU 317.A N ARG 1.A O no hydrogen 2.753 N/A