Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1smq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 6.A N ASN 2.A O no hydrogen 2.749 N/A THR 7.A N LYS 3.A O no hydrogen 2.896 N/A THR 7.A OG1 LYS 3.A O no hydrogen 3.204 N/A LEU 8.A N GLU 4.A O no hydrogen 2.732 N/A ARG 9.A N LEU 5.A O no hydrogen 2.803 N/A ARG 9.A NE ASP 283.A O no hydrogen 2.431 N/A ARG 9.A NH2 ALA 284.A O no hydrogen 3.050 N/A GLU 10.A N GLU 6.A O no hydrogen 2.785 N/A GLU 11.A N THR 7.A O no hydrogen 2.862 N/A ASN 12.A N ARG 9.A O no hydrogen 2.889 N/A ASN 12.A ND2 LEU 8.A O no hydrogen 3.551 N/A ARG 13.A N GLU 10.A O no hydrogen 2.911 N/A ASP 17.A N ARG 13.A O no hydrogen 3.075 N/A MET 18.A N VAL 14.A O no hydrogen 3.040 N/A LEU 19.A N LYS 15.A O no hydrogen 3.099 N/A LYS 20.A N SER 16.A O no hydrogen 2.680 N/A GLU 21.A N ASP 17.A O no hydrogen 2.669 N/A LYS 22.A N MET 18.A O no hydrogen 3.069 N/A LYS 22.A NZ GLU 275.A OE1 no hydrogen 3.425 N/A LEU 23.A N LEU 19.A O no hydrogen 2.806 N/A SER 24.A OG GLU 21.A O no hydrogen 2.798 N/A ASP 26.A N SER 24.A O no hydrogen 2.417 N/A ALA 27.A N SER 24.A O no hydrogen 2.999 N/A HIS 30.A N ASP 26.A O no hydrogen 3.240 N/A LYS 31.A NZ ALA 27.A O no hydrogen 3.519 N/A ALA 32.A N GLU 28.A O no hydrogen 2.844 N/A TYR 33.A N ASN 29.A O no hydrogen 3.182 N/A LEU 34.A N HIS 30.A O no hydrogen 2.980 N/A LYS 35.A N LYS 31.A O no hydrogen 2.898 N/A SER 36.A N ALA 32.A O no hydrogen 3.344 N/A SER 36.A N TYR 33.A O no hydrogen 3.020 N/A SER 36.A OG TYR 33.A O no hydrogen 3.211 N/A HIS 37.A N LEU 34.A O no hydrogen 2.856 N/A ARG 41.A N HIS 37.A O no hydrogen 3.009 N/A ARG 41.A NH1 GLU 200.A OE1 no hydrogen 3.302 N/A ARG 41.A NH2 GLU 200.A OE1 no hydrogen 3.311 N/A ARG 41.A NH2 GLU 200.A OE2 no hydrogen 2.722 N/A LEU 44.A N HIS 40.A O no hydrogen 3.209 N/A LYS 45.A N ARG 41.A O no hydrogen 3.011 N/A GLU 46.A N HIS 42.A O no hydrogen 2.886 N/A GLU 46.A N LYS 43.A O no hydrogen 3.189 N/A MET 47.A N LYS 43.A O no hydrogen 2.852 N/A GLU 48.A N LEU 44.A O no hydrogen 2.752 N/A GLU 50.A N MET 47.A O no hydrogen 2.632 N/A GLU 51.A N GLU 48.A O no hydrogen 3.022 N/A LEU 54.A N GLU 51.A O no hydrogen 2.705 N/A ASN 55.A N PRO 52.A O no hydrogen 3.008 N/A ASN 55.A ND2 LYS 49.A O no hydrogen 2.638 N/A ASN 55.A ND2 GLU 51.A O no hydrogen 3.356 N/A GLU 59.A N ASP 57.A OD1 no hydrogen 3.192 N/A ARG 60.A NH1 GLU 134.A OE2 no hydrogen 3.309 N/A ARG 60.A NH2 PRO 65.A O no hydrogen 3.078 N/A ARG 60.A NH2 GLU 134.A OE1 no hydrogen 2.525 N/A ARG 60.A NH2 GLU 134.A OE2 no hydrogen 3.230 N/A LYS 67.A N GLU 134.A OE1 no hydrogen 3.224 N/A TYR 68.A N GLU 134.A OE1 no hydrogen 3.282 N/A TRP 72.A N TYR 68.A O no hydrogen 2.925 N/A GLN 73.A N HIS 69.A O no hydrogen 2.700 N/A ALA 74.A N ILE 71.A O no hydrogen 2.422 N/A TYR 75.A N ILE 71.A O no hydrogen 3.085 N/A LYS 76.A N TRP 72.A O no hydrogen 2.915 N/A LYS 76.A NZ GLU 79.A OE1 no hydrogen 2.985 N/A ARG 77.A N GLN 73.A O no hydrogen 3.037 N/A ALA 78.A N ALA 74.A O no hydrogen 3.230 N/A ALA 78.A N TYR 75.A O no hydrogen 2.891 N/A GLU 79.A N TYR 75.A O no hydrogen 2.683 N/A GLU 79.A N LYS 76.A O no hydrogen 3.090 N/A ALA 80.A N LYS 76.A O no hydrogen 2.934 N/A SER 81.A N ALA 78.A O no hydrogen 3.390 N/A SER 81.A OG ARG 77.A O no hydrogen 2.925 N/A TRP 83.A NE1 ASP 242.A OD2 no hydrogen 2.915 N/A THR 84.A OG1 GLU 86.A OE1 no hydrogen 3.263 N/A GLU 86.A N GLU 86.A OE1 no hydrogen 2.741 N/A ILE 88.A N ALA 85.A O no hydrogen 3.294 N/A SER 91.A OG ASP 89.A OD1 no hydrogen 2.794 N/A LYS 92.A NZ ASP 96.A OD1 no hydrogen 2.686 N/A LYS 92.A NZ ASP 96.A OD2 no hydrogen 2.517 N/A HIS 95.A ND1 ASP 96.A OD2 no hydrogen 3.202 N/A ASP 96.A N LYS 92.A O no hydrogen 2.933 N/A TRP 97.A N ASP 93.A O no hydrogen 2.891 N/A ASN 98.A N HIS 95.A O no hydrogen 3.014 N/A ASN 99.A N HIS 95.A O no hydrogen 3.037 N/A MET 101.A N ASP 96.A O no hydrogen 2.976 N/A ASN 102.A N GLU 105.A OE2 no hydrogen 2.764 N/A ASN 104.A ND2 GLU 4.A OE1 no hydrogen 3.446 N/A GLU 105.A N ASN 102.A OD1 no hydrogen 2.693 N/A ARG 106.A N ASN 102.A O no hydrogen 3.062 N/A PHE 107.A N GLU 103.A O no hydrogen 3.032 N/A PHE 108.A N ASN 104.A O no hydrogen 2.999 N/A ILE 109.A N GLU 105.A O no hydrogen 3.040 N/A SER 110.A OG ARG 106.A O no hydrogen 2.517 N/A ARG 111.A N PHE 107.A O no hydrogen 3.083 N/A VAL 112.A N PHE 108.A O no hydrogen 2.952 N/A LEU 113.A N ILE 109.A O no hydrogen 2.857 N/A LEU 113.A N SER 110.A O no hydrogen 2.986 N/A ALA 114.A N SER 110.A O no hydrogen 3.050 N/A PHE 115.A N ARG 111.A O no hydrogen 2.832 N/A PHE 116.A N VAL 112.A O no hydrogen 3.414 N/A ALA 117.A N LEU 113.A O no hydrogen 2.888 N/A GLU 124.A N GLU 120.A O no hydrogen 2.945 N/A ASN 125.A N ASN 121.A O no hydrogen 3.051 N/A SER 127.A N LEU 122.A O no hydrogen 2.740 N/A THR 128.A N VAL 123.A O no hydrogen 2.776 N/A THR 128.A OG1 VAL 123.A O no hydrogen 2.606 N/A GLN 131.A N LEU 53.A O no hydrogen 2.904 N/A GLU 134.A N GLU 134.A OE2 no hydrogen 2.586 N/A ALA 135.A N ILE 132.A O no hydrogen 3.093 N/A LYS 136.A N ILE 132.A O no hydrogen 3.109 N/A LYS 136.A NZ VAL 130.A O no hydrogen 3.163 N/A SER 137.A N PRO 133.A O no hydrogen 2.967 N/A SER 137.A OG PRO 133.A O no hydrogen 2.972 N/A PHE 138.A N GLU 134.A O no hydrogen 3.451 N/A TYR 139.A N ALA 135.A O no hydrogen 2.908 N/A GLY 140.A N LYS 136.A O no hydrogen 2.822 N/A PHE 141.A N SER 137.A O no hydrogen 3.104 N/A GLN 142.A N PHE 138.A O no hydrogen 2.875 N/A ILE 143.A N TYR 139.A O no hydrogen 2.826 N/A MET 144.A N GLY 140.A O no hydrogen 2.977 N/A ILE 145.A N PHE 141.A O no hydrogen 2.739 N/A GLU 146.A N GLN 142.A O no hydrogen 3.000 N/A ASN 147.A N ILE 143.A O no hydrogen 3.265 N/A ASN 147.A N MET 144.A O no hydrogen 3.273 N/A HIS 149.A N ILE 145.A O no hydrogen 3.309 N/A HIS 149.A ND1 GLU 146.A OE2 no hydrogen 3.191 N/A HIS 149.A NE2 ASP 242.A OD2 no hydrogen 2.973 N/A SER 150.A N GLU 146.A O no hydrogen 3.100 N/A GLU 151.A N ASN 147.A O no hydrogen 3.172 N/A THR 152.A N ILE 148.A O no hydrogen 2.954 N/A THR 152.A OG1 ILE 148.A O no hydrogen 2.848 N/A TYR 153.A N HIS 149.A O no hydrogen 3.050 N/A SER 154.A N SER 150.A O no hydrogen 3.398 N/A SER 154.A OG SER 150.A O no hydrogen 3.257 N/A LEU 155.A N GLU 151.A O no hydrogen 2.835 N/A LEU 156.A N THR 152.A O no hydrogen 2.819 N/A ILE 157.A N TYR 153.A O no hydrogen 2.919 N/A ASP 158.A N SER 154.A O no hydrogen 2.671 N/A THR 159.A N LEU 156.A O no hydrogen 2.881 N/A THR 159.A OG1 LEU 155.A O no hydrogen 3.202 N/A TYR 160.A N LEU 156.A O no hydrogen 3.080 N/A TYR 160.A OH ASP 93.A OD2 no hydrogen 2.437 N/A ILE 161.A N ILE 157.A O no hydrogen 3.007 N/A LYS 162.A NZ THR 159.A O no hydrogen 3.210 N/A LYS 165.A N ASP 163.A OD1 no hydrogen 3.277 N/A GLU 166.A N ASP 163.A O no hydrogen 2.513 N/A SER 167.A N ASP 163.A O no hydrogen 3.225 N/A GLU 168.A N PRO 164.A O no hydrogen 2.773 N/A PHE 169.A N LYS 165.A O no hydrogen 3.482 N/A LEU 170.A N GLU 166.A O no hydrogen 2.764 N/A PHE 171.A N SER 167.A O no hydrogen 3.214 N/A ASN 172.A N GLU 168.A O no hydrogen 3.051 N/A ASN 172.A N PHE 169.A O no hydrogen 2.751 N/A ALA 173.A N PHE 169.A O no hydrogen 2.808 N/A HIS 175.A N ASN 172.A O no hydrogen 3.422 N/A ILE 180.A N ILE 177.A O no hydrogen 3.040 N/A GLU 182.A N PRO 178.A O no hydrogen 3.025 N/A LYS 183.A N GLU 179.A O no hydrogen 2.611 N/A ALA 184.A N ILE 180.A O no hydrogen 2.780 N/A GLU 185.A N GLY 181.A O no hydrogen 2.926 N/A TRP 186.A N GLU 182.A O no hydrogen 2.916 N/A TRP 186.A NE1 ILE 269.A O no hydrogen 3.086 N/A ALA 187.A N LYS 183.A O no hydrogen 3.073 N/A ALA 187.A N ALA 184.A O no hydrogen 2.940 N/A LEU 188.A N ALA 184.A O no hydrogen 3.063 N/A ARG 189.A N GLU 185.A O no hydrogen 3.271 N/A ARG 189.A NE GLU 185.A O no hydrogen 3.365 N/A TRP 190.A N TRP 186.A O no hydrogen 3.474 N/A ILE 191.A N ALA 187.A O no hydrogen 2.720 N/A GLN 192.A N ALA 187.A O no hydrogen 3.110 N/A PHE 198.A N GLU 48.A OE2 no hydrogen 2.732 N/A GLU 200.A N LEU 197.A O no hydrogen 3.027 N/A ARG 201.A N LEU 197.A O no hydrogen 3.176 N/A ARG 201.A NE ILE 191.A O no hydrogen 2.938 N/A LEU 202.A N PHE 198.A O no hydrogen 2.936 N/A VAL 203.A N GLY 199.A O no hydrogen 3.304 N/A ALA 204.A N GLU 200.A O no hydrogen 3.006 N/A PHE 205.A N ARG 201.A O no hydrogen 2.814 N/A ALA 206.A N LEU 202.A O no hydrogen 2.867 N/A SER 207.A N VAL 203.A O no hydrogen 3.100 N/A SER 207.A OG VAL 203.A O no hydrogen 2.783 N/A ILE 208.A N PHE 205.A O no hydrogen 2.753 N/A GLU 209.A N PHE 205.A O no hydrogen 3.220 N/A GLU 209.A N ALA 206.A O no hydrogen 3.309 N/A GLY 210.A N ALA 206.A O no hydrogen 2.636 N/A VAL 211.A N SER 207.A O no hydrogen 3.043 N/A PHE 212.A N SER 207.A O no hydrogen 2.757 N/A SER 214.A N VAL 211.A O no hydrogen 3.385 N/A SER 214.A OG VAL 211.A O no hydrogen 3.079 N/A GLY 215.A N GLU 277.A OE2 no hydrogen 3.032 N/A PHE 217.A N PHE 213.A O no hydrogen 3.377 N/A ALA 218.A N SER 214.A O no hydrogen 3.251 N/A SER 219.A N GLY 215.A O no hydrogen 3.323 N/A SER 219.A OG SER 216.A O no hydrogen 2.921 N/A ILE 220.A N SER 216.A O no hydrogen 3.057 N/A ILE 220.A N PHE 217.A O no hydrogen 3.075 N/A PHE 221.A N PHE 217.A O no hydrogen 3.006 N/A PHE 221.A N ALA 218.A O no hydrogen 2.736 N/A TRP 222.A N ALA 218.A O no hydrogen 2.944 N/A TRP 222.A NE1 LEU 290.A O no hydrogen 2.624 N/A LEU 223.A N ILE 220.A O no hydrogen 3.291 N/A LYS 224.A N PHE 221.A O no hydrogen 3.094 N/A LYS 225.A N PHE 221.A O no hydrogen 3.355 N/A LYS 225.A NZ ASP 325.A OD1 no hydrogen 3.088 N/A MET 228.A N LEU 223.A O no hydrogen 3.148 N/A GLY 231.A N ASP 93.A OD1 no hydrogen 2.521 N/A LEU 232.A N ASP 93.A OD2 no hydrogen 2.747 N/A THR 233.A N MET 229.A O no hydrogen 2.803 N/A THR 233.A OG1 PRO 230.A O no hydrogen 2.786 N/A PHE 234.A N PRO 230.A O no hydrogen 3.099 N/A SER 235.A N GLY 231.A O no hydrogen 3.034 N/A SER 235.A OG LEU 232.A O no hydrogen 2.715 N/A ASN 236.A N LEU 232.A O no hydrogen 2.803 N/A ASN 236.A ND2 PHE 217.A O no hydrogen 3.386 N/A GLU 237.A N PHE 234.A O no hydrogen 3.131 N/A LEU 238.A N PHE 234.A O no hydrogen 3.231 N/A ILE 239.A N SER 235.A O no hydrogen 2.956 N/A ARG 241.A N GLU 237.A O no hydrogen 2.920 N/A ARG 241.A NH2 SER 81.A O no hydrogen 3.557 N/A ASP 242.A N LEU 238.A O no hydrogen 3.018 N/A GLU 243.A N ILE 239.A O no hydrogen 2.831 N/A GLY 244.A N CYS 240.A O no hydrogen 2.996 N/A GLY 244.A N ARG 241.A O no hydrogen 3.135 N/A LEU 245.A N ARG 241.A O no hydrogen 3.057 N/A HIS 246.A N ASP 242.A O no hydrogen 2.918 N/A HIS 246.A ND1 GLU 146.A OE1 no hydrogen 2.943 N/A HIS 246.A ND1 GLU 209.A OE1 no hydrogen 2.521 N/A HIS 246.A ND1 GLU 243.A OE1 no hydrogen 2.841 N/A THR 247.A N GLU 243.A O no hydrogen 3.051 N/A THR 247.A OG1 GLU 243.A O no hydrogen 2.921 N/A ASP 248.A N GLY 244.A O no hydrogen 2.854 N/A PHE 249.A N LEU 245.A O no hydrogen 3.172 N/A ALA 250.A N HIS 246.A O no hydrogen 3.391 N/A CYS 251.A N THR 247.A O no hydrogen 3.348 N/A CYS 251.A SG THR 247.A O no hydrogen 3.619 N/A LEU 252.A N ASP 248.A O no hydrogen 2.901 N/A LEU 253.A N PHE 249.A O no hydrogen 2.828 N/A PHE 254.A N ALA 250.A O no hydrogen 2.729 N/A ALA 255.A N CYS 251.A O no hydrogen 3.014 N/A HIS 256.A N LEU 253.A O no hydrogen 3.089 N/A HIS 256.A ND1 LEU 252.A O no hydrogen 3.177 N/A LEU 257.A N PHE 254.A O no hydrogen 2.836 N/A LYS 258.A N GLU 51.A OE1 no hydrogen 2.813 N/A LYS 258.A N GLU 51.A OE2 no hydrogen 3.143 N/A ASN 259.A N GLU 51.A OE2 no hydrogen 2.855 N/A ILE 265.A N ASP 262.A O no hydrogen 2.602 N/A VAL 266.A N ASP 262.A O no hydrogen 3.363 N/A GLU 267.A N PRO 263.A O no hydrogen 2.994 N/A LYS 268.A N ALA 264.A O no hydrogen 2.858 N/A LYS 268.A NZ ASP 26.A OD1 no hydrogen 2.765 N/A ILE 269.A N ILE 265.A O no hydrogen 2.781 N/A THR 271.A N GLU 267.A O no hydrogen 3.028 N/A THR 271.A OG1 GLU 267.A O no hydrogen 3.052 N/A GLU 272.A N LYS 268.A O no hydrogen 2.984 N/A ALA 273.A N ILE 269.A O no hydrogen 3.216 N/A VAL 274.A N VAL 270.A O no hydrogen 2.961 N/A GLU 275.A N THR 271.A O no hydrogen 3.224 N/A ILE 276.A N GLU 272.A O no hydrogen 3.244 N/A GLU 277.A N ALA 273.A O no hydrogen 2.809 N/A GLN 278.A N VAL 274.A O no hydrogen 2.721 N/A GLN 278.A NE2 ASN 298.A O no hydrogen 3.307 N/A GLN 278.A NE2 GLU 302.A OE2 no hydrogen 3.214 N/A ARG 279.A N GLU 275.A O no hydrogen 3.139 N/A TYR 280.A N ILE 276.A O no hydrogen 2.990 N/A TYR 280.A N GLU 277.A O no hydrogen 3.122 N/A PHE 281.A N GLN 278.A O no hydrogen 2.957 N/A ALA 284.A N TYR 280.A O no hydrogen 3.077 N/A LEU 285.A N TYR 280.A O no hydrogen 3.034 N/A LEU 289.A N PRO 286.A O no hydrogen 2.885 N/A LEU 290.A N VAL 287.A O no hydrogen 3.141 N/A GLY 291.A N ALA 288.A O no hydrogen 2.629 N/A MET 292.A N VAL 287.A O no hydrogen 2.769 N/A ASP 295.A N ASN 293.A OD1 no hydrogen 3.315 N/A LEU 296.A N ASN 293.A O no hydrogen 2.642 N/A MET 297.A N ASN 293.A O no hydrogen 3.069 N/A ASN 298.A N ALA 294.A O no hydrogen 2.958 N/A GLN 299.A N ASP 295.A O no hydrogen 3.100 N/A GLN 299.A NE2 GLU 321.A O no hydrogen 2.731 N/A TYR 300.A N LEU 296.A O no hydrogen 2.805 N/A TYR 300.A N MET 297.A O no hydrogen 2.677 N/A VAL 301.A N MET 297.A O no hydrogen 3.050 N/A GLU 302.A N ASN 298.A O no hydrogen 3.215 N/A PHE 303.A N GLN 299.A O no hydrogen 2.968 N/A VAL 304.A N TYR 300.A O no hydrogen 2.761 N/A ALA 305.A N VAL 301.A O no hydrogen 3.019 N/A ASP 306.A N GLU 302.A O no hydrogen 2.925 N/A ARG 307.A N PHE 303.A O no hydrogen 2.808 N/A LEU 308.A N VAL 304.A O no hydrogen 3.059 N/A LEU 309.A N ALA 305.A O no hydrogen 2.811 N/A VAL 310.A N ASP 306.A O no hydrogen 3.190 N/A ALA 311.A N ARG 307.A O no hydrogen 3.255 N/A PHE 312.A N LEU 308.A O no hydrogen 2.931 N/A PHE 312.A N LEU 309.A O no hydrogen 2.834 N/A GLY 313.A N VAL 310.A O no hydrogen 3.083 N/A TYR 318.A N ASP 306.A OD2 no hydrogen 3.019 N/A LYS 319.A N ASP 306.A OD1 no hydrogen 3.241 N/A PHE 324.A N ASN 322.A OD1 no hydrogen 3.014 N/A GLU 328.A N ASP 325.A O no hydrogen 2.954 N/A ASN 329.A ND2 MET 327.A O no hydrogen 3.218 N/A