Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qal_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N PRO 92.A O no hydrogen 3.421 N/A GLY 1.A N LEU 94.A O no hydrogen 2.837 N/A ASN 2.A ND2 ASN 90.A OD1 no hydrogen 3.288 N/A GLU 8.A N SER 5.A OG no hydrogen 3.296 N/A PHE 9.A N SER 5.A O no hydrogen 2.881 N/A LEU 10.A N VAL 6.A O no hydrogen 2.849 N/A ALA 11.A N LYS 7.A O no hydrogen 2.930 N/A LYS 12.A N GLU 8.A O no hydrogen 3.090 N/A ALA 13.A N PHE 9.A O no hydrogen 2.971 N/A LYS 14.A N LEU 10.A O no hydrogen 2.900 N/A LYS 14.A NZ SER 150.A O no hydrogen 3.035 N/A LYS 14.A NZ ASP 152.A OD1 no hydrogen 2.976 N/A GLU 15.A N ALA 11.A O no hydrogen 3.048 N/A ASP 16.A N LYS 12.A O no hydrogen 2.976 N/A PHE 17.A N ALA 13.A O no hydrogen 2.973 N/A LEU 18.A N LYS 14.A O no hydrogen 2.888 N/A LYS 19.A N GLU 15.A O no hydrogen 3.286 N/A TRP 21.A N PHE 17.A O no hydrogen 2.760 N/A GLU 22.A N LEU 18.A O no hydrogen 2.847 N/A THR 23.A N LYS 19.A O no hydrogen 3.138 N/A SER 25.A N GLN 87.A OE1 no hydrogen 3.004 N/A SER 25.A OG GLN 87.A OE1 no hydrogen 3.446 N/A GLN 26.A NE2 THR 337.A O no hydrogen 2.970 N/A GLN 26.A NE2 PHE 339.A O no hydrogen 2.773 N/A THR 28.A N SER 100.A O no hydrogen 2.949 N/A THR 28.A OG1 SER 100.A O no hydrogen 3.460 N/A GLN 30.A N GLN 33.A OE1 no hydrogen 2.951 N/A GLN 33.A N GLN 30.A O no hydrogen 3.152 N/A PHE 34.A N LEU 31.A O no hydrogen 3.194 N/A ASP 35.A N LYS 52.A O no hydrogen 2.913 N/A ILE 37.A N LEU 50.A O no hydrogen 2.856 N/A LYS 38.A NZ ASP 319.A OD2 no hydrogen 2.684 N/A THR 39.A N GLU 322.A OE1 no hydrogen 2.882 N/A THR 39.A OG1 GLU 322.A OE2 no hydrogen 2.649 N/A LEU 40.A N VAL 48.A O no hydrogen 2.704 N/A GLY 41.A N VAL 48.A O no hydrogen 3.293 N/A GLY 43.A N GLY 46.A O no hydrogen 3.038 N/A ARG 47.A N ILE 64.A O no hydrogen 3.169 N/A ARG 47.A NH1 THR 39.A OG1 no hydrogen 2.925 N/A ARG 47.A NH1 GLU 321.A O no hydrogen 3.089 N/A VAL 48.A N GLY 41.A O no hydrogen 2.820 N/A MET 49.A N MET 62.A O no hydrogen 2.855 N/A LEU 50.A N LYS 38.A O no hydrogen 2.681 N/A VAL 51.A N TYR 60.A O no hydrogen 2.925 N/A LYS 52.A N ASP 35.A O no hydrogen 2.928 N/A LYS 52.A NZ GLY 57.A O no hydrogen 2.989 N/A HIS 53.A N ASN 58.A O no hydrogen 2.756 N/A LYS 54.A N GLN 33.A O no hydrogen 2.986 N/A LYS 54.A NZ ASP 32.A O no hydrogen 2.763 N/A GLY 57.A N HIS 53.A O no hydrogen 2.642 N/A ASN 58.A N SER 56.A OG no hydrogen 3.155 N/A ASN 58.A ND2 TYR 60.A OH no hydrogen 3.464 N/A TYR 60.A N VAL 51.A O no hydrogen 2.864 N/A ALA 61.A N MET 111.A O no hydrogen 2.871 N/A MET 62.A N MET 49.A O no hydrogen 2.767 N/A LYS 63.A N MET 109.A O no hydrogen 2.820 N/A LYS 63.A NZ GLU 82.A OE1 no hydrogen 2.658 N/A ILE 64.A N ARG 47.A O no hydrogen 2.748 N/A LEU 65.A N LEU 107.A O no hydrogen 2.895 N/A LYS 67.A N SER 105.A O no hydrogen 2.983 N/A LYS 67.A NZ ASP 103.A O no hydrogen 2.746 N/A LYS 67.A NZ ASN 104.A O no hydrogen 3.395 N/A LYS 67.A NZ LYS 331.A O no hydrogen 2.884 N/A LYS 69.A N ASP 66.A OD2 no hydrogen 3.412 N/A LYS 69.A NZ SER 44.A O no hydrogen 3.278 N/A VAL 70.A N ASP 66.A O no hydrogen 2.920 N/A VAL 71.A N LYS 67.A O no hydrogen 3.015 N/A LYS 72.A N GLN 68.A O no hydrogen 2.961 N/A LEU 73.A N LYS 69.A O no hydrogen 2.904 N/A LYS 74.A N VAL 71.A O no hydrogen 2.963 N/A GLN 75.A N VAL 70.A O no hydrogen 2.827 N/A GLN 75.A NE2 LEU 73.A O no hydrogen 2.928 N/A HIS 78.A ND1 GLN 75.A OE1 no hydrogen 2.858 N/A THR 79.A N GLN 75.A O no hydrogen 2.807 N/A THR 79.A OG1 GLN 75.A O no hydrogen 2.711 N/A LEU 80.A N ILE 76.A O no hydrogen 3.091 N/A ASN 81.A N GLU 77.A O no hydrogen 2.873 N/A GLU 82.A N HIS 78.A O no hydrogen 2.820 N/A LYS 83.A N THR 79.A O no hydrogen 3.129 N/A LYS 83.A NZ SER 25.A O no hydrogen 2.716 N/A LYS 83.A NZ GLU 338.A O no hydrogen 3.519 N/A LYS 83.A NZ PHE 339.A OXT no hydrogen 2.809 N/A ARG 84.A N LEU 80.A O no hydrogen 3.007 N/A ARG 84.A NE TRP 21.A O no hydrogen 2.981 N/A ARG 84.A NH2 TRP 21.A O no hydrogen 3.021 N/A ILE 85.A N ASN 81.A O no hydrogen 2.845 N/A LEU 86.A N GLU 82.A O no hydrogen 3.027 N/A GLN 87.A N LYS 83.A O no hydrogen 3.108 N/A GLN 87.A NE2 LYS 20.A O no hydrogen 2.962 N/A GLN 87.A NE2 ARG 84.A O no hydrogen 2.762 N/A ALA 88.A N ILE 85.A O no hydrogen 2.994 N/A VAL 89.A N ILE 85.A O no hydrogen 3.135 N/A ASN 90.A N TYR 147.A OH no hydrogen 2.874 N/A LEU 94.A N PHE 91.A O no hydrogen 3.076 N/A VAL 95.A N VAL 173.A O no hydrogen 3.060 N/A GLU 98.A N VAL 110.A O no hydrogen 2.696 N/A PHE 99.A N VAL 110.A O no hydrogen 3.111 N/A SER 100.A N THR 28.A OG1 no hydrogen 3.071 N/A PHE 101.A N TYR 108.A O no hydrogen 3.154 N/A LYS 102.A NZ PHE 336.A O no hydrogen 2.731 N/A LYS 102.A NZ PHE 339.A O no hydrogen 3.060 N/A ASP 103.A N ASN 106.A O no hydrogen 3.002 N/A SER 105.A N ASP 103.A OD1 no hydrogen 2.947 N/A ASN 106.A N ASP 103.A OD1 no hydrogen 2.777 N/A ASN 106.A ND2 TYR 108.A OH no hydrogen 2.993 N/A LEU 107.A N LEU 65.A O no hydrogen 2.804 N/A TYR 108.A N PHE 101.A O no hydrogen 2.786 N/A TYR 108.A OH ASP 103.A OD2 no hydrogen 2.633 N/A MET 109.A N LYS 63.A O no hydrogen 3.012 N/A VAL 110.A N PHE 99.A O no hydrogen 2.813 N/A MET 111.A N ALA 61.A O no hydrogen 2.768 N/A GLU 112.A N LYS 96.A O no hydrogen 2.990 N/A TYR 113.A OH ASP 313.A O no hydrogen 2.684 N/A MET 119.A N LEU 163.A O no hydrogen 2.775 N/A PHE 120.A N PRO 160.A O no hydrogen 3.285 N/A SER 121.A OG GLU 118.A O no hydrogen 2.873 N/A HIS 122.A NE2 GLY 116.A O no hydrogen 2.756 N/A LEU 123.A N MET 119.A O no hydrogen 2.909 N/A ARG 124.A N PHE 120.A O no hydrogen 2.997 N/A ARG 124.A NH1 GLU 220.A OE1 no hydrogen 3.054 N/A ARG 124.A NH2 GLU 220.A OE1 no hydrogen 2.770 N/A ARG 125.A N SER 121.A O no hydrogen 3.100 N/A ARG 125.A NH2 HIS 122.A ND1 no hydrogen 2.793 N/A ILE 126.A N HIS 122.A O no hydrogen 2.978 N/A GLY 127.A N LEU 123.A O no hydrogen 2.896 N/A PHE 129.A N MET 221.A O no hydrogen 2.813 N/A HIS 133.A N SER 130.A OG no hydrogen 3.189 N/A HIS 133.A NE2 TYR 137.A OH no hydrogen 2.950 N/A ALA 134.A N SER 130.A O no hydrogen 2.816 N/A ARG 135.A N GLU 131.A O no hydrogen 2.740 N/A ARG 135.A NH1 TRP 286.A O no hydrogen 2.928 N/A PHE 136.A N PRO 132.A O no hydrogen 2.975 N/A TYR 137.A N HIS 133.A O no hydrogen 3.364 N/A TYR 137.A OH HIS 133.A NE2 no hydrogen 2.950 N/A ALA 138.A N ALA 134.A O no hydrogen 2.877 N/A ALA 139.A N ARG 135.A O no hydrogen 2.905 N/A GLN 140.A NE2 PHE 136.A O no hydrogen 3.108 N/A ILE 141.A N TYR 137.A O no hydrogen 3.201 N/A VAL 142.A N ALA 138.A O no hydrogen 2.898 N/A LEU 143.A N ALA 139.A O no hydrogen 3.115 N/A THR 144.A N GLN 140.A O no hydrogen 2.971 N/A THR 144.A OG1 GLN 140.A O no hydrogen 2.729 N/A PHE 145.A N ILE 141.A O no hydrogen 2.849 N/A GLU 146.A N VAL 142.A O no hydrogen 3.016 N/A TYR 147.A N LEU 143.A O no hydrogen 3.051 N/A LEU 148.A N THR 144.A O no hydrogen 2.837 N/A HIS 149.A N PHE 145.A O no hydrogen 2.732 N/A HIS 149.A NE2 ASP 210.A OD2 no hydrogen 2.909 N/A SER 150.A N GLU 146.A O no hydrogen 3.168 N/A SER 150.A OG TYR 147.A O no hydrogen 2.618 N/A LEU 151.A N LEU 148.A O no hydrogen 3.015 N/A ASP 152.A N HIS 149.A O no hydrogen 2.979 N/A LEU 153.A N LEU 148.A O no hydrogen 3.081 N/A ILE 154.A N LYS 180.A O no hydrogen 2.961 N/A TYR 155.A N ASP 210.A OD2 no hydrogen 2.856 N/A TYR 155.A OH THR 174.A O no hydrogen 2.571 N/A TYR 155.A OH ASP 175.A O no hydrogen 3.168 N/A ARG 156.A N ASP 210.A OD1 no hydrogen 2.910 N/A ARG 156.A NE PHE 178.A O no hydrogen 2.774 N/A ARG 156.A NH1 TYR 205.A OH no hydrogen 2.887 N/A ARG 156.A NH2 PHE 178.A O no hydrogen 2.935 N/A LYS 159.A NZ THR 191.A OG1 no hydrogen 2.835 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.678 N/A ASN 162.A N LYS 159.A O no hydrogen 2.873 N/A ASN 162.A ND2 ASP 157.A O no hydrogen 2.818 N/A ASN 162.A ND2 ASP 157.A OD1 no hydrogen 2.961 N/A LEU 163.A N PRO 160.A O no hydrogen 3.262 N/A LEU 164.A N GLN 172.A O no hydrogen 2.904 N/A ILE 165.A N GLY 117.A O no hydrogen 2.989 N/A ASP 166.A N TYR 170.A O no hydrogen 2.807 N/A GLN 168.A N ASP 166.A OD1 no hydrogen 2.732 N/A GLY 169.A N ASP 166.A O no hydrogen 2.923 N/A TYR 170.A N ASP 166.A OD1 no hydrogen 2.970 N/A TYR 170.A OH VAL 300.A O no hydrogen 2.583 N/A ILE 171.A N GLN 140.A OE1 no hydrogen 2.706 N/A GLN 172.A N LEU 164.A O no hydrogen 2.804 N/A GLN 172.A NE2 PRO 92.A O no hydrogen 2.725 N/A GLN 172.A NE2 ILE 171.A O no hydrogen 3.108 N/A VAL 173.A N PHE 93.A O no hydrogen 2.765 N/A THR 174.A N ASN 162.A O no hydrogen 2.979 N/A GLY 177.A N ASP 175.A OD1 no hydrogen 3.096 N/A ALA 179.A N PHE 176.A O no hydrogen 3.086 N/A LYS 180.A N ILE 154.A O no hydrogen 3.016 N/A ARG 181.A NE LEU 151.A O no hydrogen 2.921 N/A ARG 181.A NH2 ASP 152.A OD1 no hydrogen 3.112 N/A VAL 182.A N ASP 152.A O no hydrogen 2.893 N/A LYS 183.A NZ ASP 152.A OD1 no hydrogen 3.377 N/A THR 186.A N TYR 205.A O no hydrogen 2.886 N/A THR 191.A OG1 ASP 157.A OD2 no hydrogen 2.795 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.660 N/A TYR 194.A N THR 191.A O no hydrogen 2.891 N/A TYR 194.A OH GLU 220.A OE2 no hydrogen 2.532 N/A LEU 195.A N PRO 192.A O no hydrogen 3.244 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.704 N/A ILE 199.A N ALA 196.A O no hydrogen 3.020 N/A ILE 200.A N ALA 196.A O no hydrogen 3.306 N/A LEU 201.A N PRO 197.A O no hydrogen 2.929 N/A SER 202.A N ILE 199.A O no hydrogen 3.085 N/A LYS 203.A N GLU 198.A O no hydrogen 2.940 N/A TYR 205.A N THR 186.A O no hydrogen 2.928 N/A ALA 208.A N ASN 206.A OD1 no hydrogen 2.833 N/A VAL 209.A N ASN 206.A O no hydrogen 3.146 N/A ASP 210.A N LYS 207.A O no hydrogen 2.990 N/A TRP 212.A N ALA 208.A O no hydrogen 3.081 N/A ALA 213.A N VAL 209.A O no hydrogen 3.029 N/A LEU 214.A N ASP 210.A O no hydrogen 2.945 N/A GLY 215.A N TRP 211.A O no hydrogen 3.140 N/A VAL 216.A N TRP 212.A O no hydrogen 3.095 N/A LEU 217.A N ALA 213.A O no hydrogen 2.846 N/A ILE 218.A N LEU 214.A O no hydrogen 2.873 N/A TYR 219.A N GLY 215.A O no hydrogen 3.035 N/A TYR 219.A OH ARG 246.A O no hydrogen 2.653 N/A GLU 220.A N VAL 216.A O no hydrogen 2.876 N/A MET 221.A N LEU 217.A O no hydrogen 2.858 N/A ALA 222.A N ILE 218.A O no hydrogen 2.991 N/A ALA 223.A N TYR 219.A O no hydrogen 2.744 N/A GLY 224.A N GLU 220.A O no hydrogen 2.795 N/A GLN 232.A N GLN 235.A OE1 no hydrogen 2.914 N/A GLN 235.A N GLN 232.A O no hydrogen 2.952 N/A ILE 236.A N GLN 232.A O no hydrogen 3.201 N/A TYR 237.A N PRO 233.A O no hydrogen 2.840 N/A GLU 238.A N ILE 234.A O no hydrogen 3.191 N/A LYS 239.A N GLN 235.A O no hydrogen 3.308 N/A ILE 240.A N ILE 236.A O no hydrogen 2.923 N/A VAL 241.A N TYR 237.A O no hydrogen 2.947 N/A SER 242.A N GLU 238.A O no hydrogen 3.140 N/A SER 242.A OG LYS 239.A O no hydrogen 2.598 N/A GLY 243.A N LYS 239.A O no hydrogen 3.176 N/A LYS 244.A N SER 242.A OG no hydrogen 3.366 N/A PHE 251.A N PRO 248.A O no hydrogen 3.220 N/A SER 252.A N GLU 131.A OE2 no hydrogen 2.931 N/A SER 252.A OG GLU 131.A OE1 no hydrogen 2.762 N/A SER 252.A OG GLU 131.A OE2 no hydrogen 3.531 N/A LEU 255.A N SER 252.A OG no hydrogen 3.050 N/A LYS 256.A N SER 252.A O no hydrogen 3.027 N/A ASP 257.A N SER 253.A O no hydrogen 2.989 N/A LEU 258.A N ASP 254.A O no hydrogen 3.041 N/A LEU 259.A N LEU 255.A O no hydrogen 2.960 N/A ARG 260.A N LYS 256.A O no hydrogen 2.929 N/A ASN 261.A N ASP 257.A O no hydrogen 3.203 N/A ASN 261.A N LEU 258.A O no hydrogen 3.028 N/A ASN 261.A ND2 ASP 257.A O no hydrogen 2.770 N/A LEU 262.A N LEU 258.A O no hydrogen 2.966 N/A LEU 263.A N LEU 259.A O no hydrogen 2.832 N/A GLN 264.A NE2 ASN 261.A O no hydrogen 3.682 N/A LYS 269.A N ASP 266.A O no hydrogen 2.760 N/A PHE 271.A N ASN 261.A O no hydrogen 3.241 N/A ASN 273.A N ALA 270.A O no hydrogen 3.247 N/A GLY 277.A N LEU 274.A O no hydrogen 3.059 N/A ASN 279.A N ASN 276.A O no hydrogen 3.100 N/A ASN 279.A ND2 ASN 276.A O no hydrogen 3.240 N/A ASP 280.A N GLY 277.A O no hydrogen 3.087 N/A ILE 281.A N VAL 278.A O no hydrogen 2.919 N/A LYS 282.A N VAL 278.A O no hydrogen 2.920 N/A LYS 282.A NZ GLU 146.A OE1 no hydrogen 2.695 N/A LYS 282.A NZ GLU 146.A OE2 no hydrogen 3.452 N/A ASN 283.A N ASN 279.A O no hydrogen 2.869 N/A HIS 284.A N ILE 281.A O no hydrogen 3.065 N/A HIS 284.A NE2 ASP 257.A OD2 no hydrogen 2.855 N/A TRP 286.A N HIS 284.A ND1 no hydrogen 2.939 N/A TRP 286.A NE1 GLU 131.A OE1 no hydrogen 2.849 N/A PHE 287.A N HIS 284.A O no hydrogen 2.871 N/A ALA 288.A N LYS 285.A O no hydrogen 3.005 N/A THR 290.A N PHE 287.A O no hydrogen 2.912 N/A THR 290.A OG1 PHE 287.A O no hydrogen 3.392 N/A ALA 294.A N ASP 291.A OD2 no hydrogen 3.280 N/A ILE 295.A N ASP 291.A O no hydrogen 2.960 N/A TYR 296.A N TRP 292.A O no hydrogen 3.093 N/A GLN 297.A N ILE 293.A O no hydrogen 2.945 N/A ARG 298.A N ILE 295.A O no hydrogen 2.861 N/A LYS 299.A N ALA 294.A O no hydrogen 2.833 N/A LYS 309.A N ASP 313.A OD1 no hydrogen 2.876 N/A ASP 313.A N GLY 310.A O no hydrogen 3.167 N/A SER 315.A N ASP 313.A OD2 no hydrogen 2.796 N/A SER 315.A OG ASP 313.A OD1 no hydrogen 3.242 N/A SER 315.A OG ASP 313.A OD2 no hydrogen 3.076 N/A ASN 316.A ND2 ALA 115.A O no hydrogen 3.018 N/A ASN 316.A ND2 LYS 307.A O no hydrogen 3.120 N/A PHE 317.A N THR 314.A O no hydrogen 2.957 N/A LYS 331.A N ASN 104.A O no hydrogen 2.808 N/A GLU 335.A N GLU 335.A OE2 no hydrogen 2.586 N/A PHE 336.A N CYS 332.A O no hydrogen 3.394 N/A THR 337.A N LYS 334.A O no hydrogen 3.326 N/A THR 337.A OG1 GLY 333.A O no hydrogen 3.212 N/A THR 337.A OG1 LYS 334.A O no hydrogen 2.820 N/A PHE 339.A N PHE 336.A O no hydrogen 3.028 N/A