Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q3x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 5.A N THR 25.A O no hydrogen 2.980 N/A GLY 6.A N ASP 4.A OD1 no hydrogen 3.000 N/A GLY 14.A N LEU 11.A O no hydrogen 2.769 N/A ARG 15.A N SER 34.A O no hydrogen 2.965 N/A ARG 15.A NE SER 34.A OG no hydrogen 2.803 N/A GLU 17.A N GLN 32.A O no hydrogen 3.030 N/A ILE 19.A N VAL 30.A O no hydrogen 3.000 N/A THR 20.A N VAL 30.A O no hydrogen 3.506 N/A VAL 24.A N GLY 21.A O no hydrogen 3.028 N/A THR 25.A OG1 ASP 4.A OD1 no hydrogen 2.580 N/A TYR 27.A N VAL 3.A O no hydrogen 3.184 N/A LYS 28.A N CYS 51.A O no hydrogen 3.141 N/A ALA 29.A N THR 26.A O no hydrogen 2.888 N/A VAL 30.A N THR 20.A OG1 no hydrogen 2.961 N/A ILE 31.A N TYR 49.A O no hydrogen 2.965 N/A GLN 32.A N GLU 17.A O no hydrogen 2.836 N/A GLN 32.A NE2 ASP 46.A O no hydrogen 2.847 N/A TYR 33.A N GLY 47.A O no hydrogen 2.885 N/A TYR 33.A OH ASP 9.A O no hydrogen 3.288 N/A SER 34.A N ARG 15.A O no hydrogen 3.202 N/A GLU 36.A N SER 13.A O no hydrogen 3.216 N/A TYR 40.A N GLU 36.A O no hydrogen 2.940 N/A TYR 40.A OH ASP 110.A OD2 no hydrogen 2.842 N/A THR 41.A N GLU 70.A O no hydrogen 2.953 N/A LYS 43.A N VAL 68.A O no hydrogen 2.777 N/A ASN 45.A ND2 GLU 63.A OE1 no hydrogen 2.566 N/A LYS 48.A N ASP 46.A OD1 no hydrogen 3.142 N/A TYR 49.A N ILE 31.A O no hydrogen 3.081 N/A TYR 49.A OH ASN 45.A OD1 no hydrogen 2.500 N/A TYR 49.A OH SER 65.A O no hydrogen 2.606 N/A VAL 50.A N THR 58.A O no hydrogen 2.962 N/A CYS 51.A N ALA 29.A O no hydrogen 3.028 N/A CYS 51.A SG THR 25.A O no hydrogen 3.556 N/A GLU 52.A N PHE 56.A O no hydrogen 2.855 N/A GLY 55.A N GLU 52.A O no hydrogen 3.114 N/A TRP 57.A NE1 GLY 6.A O no hydrogen 3.160 N/A THR 58.A N VAL 50.A O no hydrogen 2.892 N/A THR 58.A OG1 SER 59.A O no hydrogen 3.325 N/A SER 59.A N GLU 63.A O no hydrogen 3.194 N/A SER 59.A OG GLU 63.A OE1 no hydrogen 2.939 N/A LYS 61.A N SER 59.A OG no hydrogen 3.120 N/A GLY 62.A N SER 59.A O no hydrogen 2.858 N/A GLU 63.A N SER 59.A OG no hydrogen 3.244 N/A LYS 64.A NZ ASP 54.A OD1 no hydrogen 3.179 N/A LYS 64.A NZ ASP 54.A OD2 no hydrogen 3.367 N/A VAL 68.A N LYS 43.A O no hydrogen 3.389 N/A CYS 69.A SG SER 13.A O no hydrogen 3.418 N/A GLU 70.A N THR 41.A O no hydrogen 3.085 N/A VAL 72.A N PHE 39.A O no hydrogen 2.666 N/A GLY 74.A N PRO 185.A O no hydrogen 2.978 N/A SER 76.A OG ASP 90.A O no hydrogen 2.710 N/A ALA 77.A N GLY 89.A O no hydrogen 2.891 N/A ARG 78.A N SER 76.A OG no hydrogen 3.023 N/A ARG 78.A NH1 THR 204.A OG1 no hydrogen 2.895 N/A ARG 78.A NH2 ASP 224.A OD1 no hydrogen 2.832 N/A ARG 78.A NH2 ASP 224.A OD2 no hydrogen 2.998 N/A THR 79.A N SER 76.A O no hydrogen 3.095 N/A TYR 81.A N ASP 262.A O no hydrogen 2.781 N/A GLN 84.A N TYR 222.A O no hydrogen 2.994 N/A ALA 86.A N LEU 220.A O no hydrogen 2.861 N/A LYS 87.A N ASP 90.A OD2 no hydrogen 2.758 N/A ASP 90.A N LYS 87.A O no hydrogen 3.036 N/A GLN 94.A N PHE 91.A O no hydrogen 3.008 N/A VAL 95.A N GLY 105.A O no hydrogen 3.054 N/A LEU 96.A N ARG 133.A O no hydrogen 2.800 N/A ILE 97.A N ALA 103.A O no hydrogen 3.032 N/A LEU 98.A N ASP 131.A O no hydrogen 3.010 N/A ALA 104.A N SER 268.A O no hydrogen 2.723 N/A GLY 105.A N VAL 95.A O no hydrogen 2.952 N/A ALA 106.A N LEU 114.A O no hydrogen 2.793 N/A LEU 107.A N TRP 93.A O no hydrogen 2.893 N/A LEU 108.A N TRP 112.A O no hydrogen 2.791 N/A TRP 112.A N LEU 108.A O no hydrogen 3.104 N/A VAL 113.A N ILE 171.A O no hydrogen 2.815 N/A LEU 114.A N ALA 106.A O no hydrogen 2.779 N/A THR 115.A N ALA 169.A O no hydrogen 3.106 N/A THR 115.A OG1 ALA 104.A O no hydrogen 2.832 N/A ALA 116.A N THR 115.A OG1 no hydrogen 2.586 N/A HIS 118.A N ASP 167.A OD1 no hydrogen 2.895 N/A HIS 118.A ND1 ASP 167.A OD2 no hydrogen 2.737 N/A HIS 118.A NE2 SER 268.A OG no hydrogen 2.749 N/A ALA 119.A N ALA 116.A O no hydrogen 3.201 N/A VAL 120.A N ALA 117.A O no hydrogen 3.128 N/A TYR 121.A N ALA 117.A O no hydrogen 2.838 N/A GLN 123.A NE2 LEU 98.A O no hydrogen 2.485 N/A LYS 124.A N VAL 120.A O no hydrogen 2.970 N/A LYS 124.A NZ VAL 152.A O no hydrogen 3.476 N/A HIS 125.A N TYR 121.A O no hydrogen 3.149 N/A ASP 126.A N GLN 123.A O no hydrogen 3.205 N/A ALA 127.A N LYS 124.A O no hydrogen 2.991 N/A SER 128.A N GLN 123.A O no hydrogen 3.192 N/A SER 128.A OG ASP 126.A O no hydrogen 3.557 N/A SER 128.A OG ASP 126.A OD1.A no hydrogen 2.632 N/A SER 128.A OG ASP 126.A OD2.A no hydrogen 2.786 N/A LEU 130.A N SER 149.A OG no hydrogen 3.123 N/A ILE 132.A N ALA 147.A O no hydrogen 3.154 N/A ARG 133.A N LEU 96.A O no hydrogen 2.887 N/A ARG 133.A NE ASP 131.A OD1 no hydrogen 3.067 N/A ARG 133.A NH2 ASP 131.A OD2 no hydrogen 2.952 N/A MET 134.A N THR 145.A O no hydrogen 2.953 N/A THR 136.A OG1 LYS 138.A O no hydrogen 3.092 N/A THR 136.A OG1 HIS 143.A O no hydrogen 3.468 N/A LYS 138.A N THR 136.A OG1 no hydrogen 3.265 N/A ARG 139.A N ARG 218.A O no hydrogen 2.912 N/A ARG 139.A NE ALA 217.A O no hydrogen 2.928 N/A ARG 139.A NH2 ALA 217.A O no hydrogen 3.294 N/A SER 141.A N LYS 138.A O no hydrogen 3.318 N/A SER 141.A OG HIS 143.A O no hydrogen 3.499 N/A HIS 143.A N SER 141.A OG no hydrogen 3.032 N/A THR 145.A N MET 134.A O no hydrogen 2.849 N/A GLN 146.A NE2 ASP 131.A OD1 no hydrogen 2.847 N/A GLN 146.A NE2 ALA 147.A O no hydrogen 3.032 N/A ALA 147.A N ILE 132.A O no hydrogen 2.779 N/A SER 149.A N LEU 130.A O no hydrogen 3.425 N/A GLU 150.A N LYS 172.A O no hydrogen 2.692 N/A ALA 151.A N LYS 172.A O no hydrogen 3.431 N/A PHE 153.A N LEU 170.A O no hydrogen 2.734 N/A HIS 155.A N ILE 168.A O no hydrogen 3.103 N/A GLY 157.A N HIS 155.A ND1 no hydrogen 2.854 N/A TYR 158.A N HIS 155.A O no hydrogen 3.112 N/A TYR 158.A OH HIS 160.A ND1 no hydrogen 2.711 N/A THR 159.A OG1 ALA 162.A O no hydrogen 3.107 N/A HIS 160.A ND1 TYR 158.A OH no hydrogen 2.711 N/A ALA 162.A N THR 159.A O no hydrogen 2.991 N/A ASN 166.A ND2 GLY 157.A O no hydrogen 2.936 N/A ILE 168.A N ASN 166.A O no hydrogen 2.852 N/A ALA 169.A N THR 115.A O no hydrogen 2.997 N/A LEU 170.A N PHE 153.A O no hydrogen 2.851 N/A ILE 171.A N VAL 113.A O no hydrogen 2.887 N/A LYS 172.A N ALA 151.A O no hydrogen 2.866 N/A LYS 172.A NZ PHE 321.A OXT no hydrogen 2.972 N/A LEU 173.A N ASN 111.A O no hydrogen 2.849 N/A ASN 174.A N TRP 148.A O no hydrogen 2.971 N/A LYS 176.A NZ SER 13.A OG no hydrogen 2.891 N/A LYS 176.A NZ ASP 110.A OD1 no hydrogen 3.546 N/A LYS 176.A NZ ASP 110.A OD2 no hydrogen 2.503 N/A VAL 177.A N ASP 110.A O no hydrogen 2.718 N/A ASN 180.A N ILE 183.A O no hydrogen 3.005 N/A ASN 182.A N ASN 180.A OD1 no hydrogen 2.774 N/A ILE 183.A N ASN 180.A O no hydrogen 2.913 N/A ILE 183.A N ASN 180.A OD1 no hydrogen 2.982 N/A THR 184.A N PRO 92.A O no hydrogen 3.339 N/A ILE 186.A N LEU 107.A O no hydrogen 3.017 N/A CYS 187.A N TRP 282.A O no hydrogen 3.425 N/A ARG 190.A NE ASP 276.A OD2 no hydrogen 2.949 N/A ARG 190.A NH1 GLU 192.A OE2 no hydrogen 3.118 N/A ARG 190.A NH2 ASP 276.A OD1 no hydrogen 3.401 N/A ARG 190.A NH2 ASP 276.A OD2 no hydrogen 2.657 N/A GLU 192.A N GLU 192.A OE2 no hydrogen 3.046 N/A ALA 193.A N ARG 190.A O no hydrogen 2.977 N/A SER 195.A N GLU 192.A O no hydrogen 2.992 N/A SER 195.A OG GLU 192.A O no hydrogen 3.494 N/A PHE 196.A N ALA 193.A O no hydrogen 2.999 N/A MET 197.A N GLU 194.A O no hydrogen 2.889 N/A ARG 198.A N ASP 201.A OD2 no hydrogen 2.647 N/A ASP 200.A N ILE 227.A O no hydrogen 2.912 N/A ASP 201.A N ARG 198.A O no hydrogen 2.773 N/A GLY 203.A N ILE 225.A O no hydrogen 2.879 N/A THR 204.A N VAL 273.A O no hydrogen 2.792 N/A THR 204.A OG1 ASP 224.A OD1 no hydrogen 2.739 N/A ALA 205.A N VAL 223.A O no hydrogen 2.952 N/A GLY 207.A N MET 221.A O no hydrogen 2.890 N/A TRP 208.A NE1 LEU 137.A O no hydrogen 2.716 N/A GLY 209.A N ASP 267.A OD2 no hydrogen 2.869 N/A LEU 210.A N ARG 265.A O no hydrogen 2.889 N/A THR 211.A N PHE 215.A O no hydrogen 3.035 N/A ARG 213.A N THR 211.A OG1 no hydrogen 3.266 N/A GLY 214.A N THR 211.A O no hydrogen 3.000 N/A ALA 217.A N TRP 208.A O no hydrogen 2.959 N/A LEU 220.A N LEU 137.A O no hydrogen 2.867 N/A MET 221.A N GLY 207.A O no hydrogen 2.997 N/A TYR 222.A N GLN 84.A O no hydrogen 2.874 N/A VAL 223.A N ALA 205.A O no hydrogen 2.882 N/A ILE 225.A N GLY 203.A O no hydrogen 2.817 N/A ILE 227.A N ASP 201.A O no hydrogen 2.877 N/A VAL 228.A N CYS 253.A O no hydrogen 2.760 N/A LYS 232.A N ASP 229.A OD2 no hydrogen 2.998 N/A LYS 232.A NZ GLU 257.A OE2 no hydrogen 2.866 N/A CYS 233.A N ASP 229.A O no hydrogen 2.920 N/A THR 234.A N HIS 230.A O no hydrogen 2.791 N/A THR 234.A OG1 HIS 230.A O no hydrogen 3.032 N/A ALA 235.A N GLN 231.A O no hydrogen 2.912 N/A ALA 236.A N LYS 232.A O no hydrogen 3.289 N/A ALA 236.A N CYS 233.A O no hydrogen 3.260 N/A TYR 237.A N THR 234.A O no hydrogen 3.057 N/A TYR 237.A OH TYR 301.A O no hydrogen 2.509 N/A GLU 238.A N ALA 235.A O no hydrogen 3.212 N/A TYR 242.A N LYS 239.A O no hydrogen 2.961 N/A SER 246.A OG PRO 243.A O no hydrogen 2.611 N/A THR 248.A OG1 ASP 165.A OD1 no hydrogen 2.832 N/A ASN 250.A N THR 248.A OG1 no hydrogen 3.226 N/A ASN 250.A ND2 ASP 165.A OD1 no hydrogen 2.987 N/A MET 251.A N THR 248.A O no hydrogen 3.063 N/A LEU 252.A N TYR 304.A O no hydrogen 2.778 N/A ALA 254.A N GLY 302.A O no hydrogen 3.047 N/A GLY 255.A N PRO 226.A O no hydrogen 3.031 N/A GLY 259.A N LEU 256.A O no hydrogen 3.349 N/A GLY 260.A N SER 258.A OG no hydrogen 3.197 N/A LYS 261.A NZ ASP 224.A O no hydrogen 2.993 N/A ASP 262.A N TYR 81.A O no hydrogen 3.145 N/A SER 263.A N ASP 262.A OD1 no hydrogen 2.826 N/A SER 263.A OG TYR 304.A OH no hydrogen 2.842 N/A CYS 264.A N ASP 267.A OD1 no hydrogen 2.629 N/A CYS 264.A SG LEU 210.A O no hydrogen 2.968 N/A ASP 267.A N CYS 264.A O no hydrogen 2.755 N/A SER 268.A OG HIS 118.A NE2 no hydrogen 2.749 N/A GLY 269.A N VAL 288.A O no hydrogen 3.031 N/A GLY 270.A N ASP 267.A O no hydrogen 3.057 N/A LEU 272.A N GLY 286.A O no hydrogen 2.710 N/A VAL 273.A N THR 204.A O no hydrogen 2.992 N/A PHE 274.A N PHE 283.A O no hydrogen 2.910 N/A ASP 276.A N ARG 281.A O no hydrogen 3.017 N/A GLU 278.A N ASP 276.A OD1 no hydrogen 2.911 N/A THR 279.A N ASP 276.A OD1 no hydrogen 3.063 N/A GLU 280.A N ASP 276.A O no hydrogen 2.711 N/A TRP 282.A N GLY 74.A O no hydrogen 2.925 N/A PHE 283.A N PHE 274.A O no hydrogen 2.905 N/A VAL 284.A N CYS 187.A O no hydrogen 2.978 N/A GLY 285.A N LEU 272.A O no hydrogen 3.007 N/A GLY 286.A N LEU 272.A O no hydrogen 3.115 N/A ILE 287.A N THR 305.A O no hydrogen 3.224 N/A VAL 288.A N GLY 270.A O no hydrogen 2.776 N/A SER 289.A OG ASP 167.A OD2 no hydrogen 2.718 N/A TRP 290.A N VAL 303.A O no hydrogen 3.118 N/A SER 292.A OG ASN 294.A O no hydrogen 2.981 N/A SER 292.A OG GLU 297.A OE1 no hydrogen 2.745 N/A CYS 295.A SG ASP 262.A OD2 no hydrogen 3.596 N/A CYS 295.A SG SER 263.A O no hydrogen 3.307 N/A GLY 296.A N ASP 262.A OD2 no hydrogen 3.027 N/A GLN 300.A N GLU 297.A O no hydrogen 3.310 N/A TYR 301.A OH GLU 257.A OE1 no hydrogen 2.539 N/A GLY 302.A N ALA 254.A O no hydrogen 3.168 N/A VAL 303.A N TRP 290.A O no hydrogen 2.781 N/A TYR 304.A N LEU 252.A O no hydrogen 2.642 N/A TYR 304.A OH SER 263.A OG no hydrogen 2.842 N/A THR 305.A N ILE 287.A O no hydrogen 3.032 N/A THR 305.A OG1 ASP 167.A O no hydrogen 2.754 N/A LYS 306.A N ASN 250.A O no hydrogen 2.938 N/A VAL 307.A N GLY 285.A O no hydrogen 3.148 N/A ASN 309.A N LYS 306.A O no hydrogen 3.034 N/A ASN 309.A ND2 ALA 249.A O no hydrogen 3.053 N/A ASN 309.A ND2 ASN 250.A OD1 no hydrogen 2.879 N/A TYR 310.A N VAL 307.A O no hydrogen 2.837 N/A TYR 310.A OH ASN 166.A OD1 no hydrogen 2.686 N/A TRP 313.A NE1 GLU 156.A OE2 no hydrogen 2.535 N/A ILE 314.A N TYR 310.A O no hydrogen 2.776 N/A GLU 315.A N ILE 311.A O no hydrogen 2.833 N/A ASN 316.A N PRO 312.A O no hydrogen 2.819 N/A ILE 317.A N TRP 313.A O no hydrogen 3.070 N/A ILE 318.A N ILE 314.A O no hydrogen 2.934 N/A SER 319.A N GLU 315.A O no hydrogen 2.982 N/A SER 319.A OG GLU 315.A O no hydrogen 2.893 N/A SER 319.A OG ASN 316.A O no hydrogen 3.278 N/A ASP 320.A N ASN 316.A O no hydrogen 3.088 N/A ASP 320.A N ILE 317.A O no hydrogen 3.219 N/A PHE 321.A N ILE 317.A O no hydrogen 3.058 N/A