Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xb1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLY 29.A O no hydrogen 3.207 N/A VAL 3.A N GLU 31.A O no hydrogen 2.784 N/A ASN 4.A N ASN 86.A OD1 no hydrogen 2.765 N/A ILE 5.A N ASN 33.A O no hydrogen 2.806 N/A SER 6.A N ILE 87.A O no hydrogen 2.982 N/A SER 6.A OG SER 36.A OG no hydrogen 2.702 N/A ILE 7.A N SER 36.A O no hydrogen 2.955 N/A PHE 8.A N VAL 89.A O no hydrogen 2.716 N/A GLY 9.A N THR 38.A O no hydrogen 2.766 N/A ARG 15.A N GLY 11.A O no hydrogen 2.932 N/A ARG 15.A NH1 PHE 10.A O no hydrogen 2.941 N/A ALA 16.A N THR 12.A O no hydrogen 3.189 N/A LEU 17.A N VAL 13.A O no hydrogen 2.849 N/A ALA 18.A N GLY 14.A O no hydrogen 2.836 N/A GLU 19.A N ARG 15.A O no hydrogen 3.191 N/A ILE 20.A N ALA 16.A O no hydrogen 3.046 N/A ILE 21.A N LEU 17.A O no hydrogen 2.795 N/A ALA 22.A N ALA 18.A O no hydrogen 2.885 N/A GLU 23.A N GLU 19.A O no hydrogen 2.990 N/A LYS 24.A N ILE 20.A O no hydrogen 2.897 N/A LYS 24.A N ILE 21.A O no hydrogen 3.146 N/A ARG 26.A NH1 GLU 31.A OE2 no hydrogen 3.445 N/A ILE 27.A N VAL 30.A O no hydrogen 3.380 N/A VAL 30.A N ILE 27.A O no hydrogen 3.040 N/A GLU 31.A N MET 1.A O no hydrogen 3.182 N/A LEU 32.A N SER 25.A O no hydrogen 2.803 N/A ASN 33.A N VAL 3.A O no hydrogen 2.972 N/A ASN 33.A ND2 ASN 4.A OD1 no hydrogen 3.093 N/A ILE 35.A N ILE 5.A O no hydrogen 2.982 N/A SER 36.A OG SER 6.A OG no hydrogen 2.702 N/A ILE 37.A N ILE 44.A O no hydrogen 3.049 N/A THR 38.A N ILE 7.A O no hydrogen 2.979 N/A THR 38.A OG1 THR 43.A OG1 no hydrogen 2.771 N/A ASP 39.A N GLY 42.A O no hydrogen 3.062 N/A SER 41.A N ASP 39.A OD1 no hydrogen 2.598 N/A SER 41.A OG ASP 39.A OD1 no hydrogen 2.739 N/A SER 41.A OG ASP 39.A OD2 no hydrogen 3.564 N/A SER 41.A OG SER 64.A OG no hydrogen 3.203 N/A GLY 42.A N ASP 39.A O no hydrogen 3.247 N/A THR 43.A N TYR 72.A O no hydrogen 2.784 N/A THR 43.A OG1 THR 38.A OG1 no hydrogen 2.771 N/A ILE 44.A N ILE 37.A O no hydrogen 2.936 N/A GLY 46.A N ILE 35.A O no hydrogen 3.075 N/A GLU 52.A N ASP 49.A OD2 no hydrogen 2.711 N/A ALA 53.A N ASP 49.A O no hydrogen 2.869 N/A LYS 54.A N LEU 50.A O no hydrogen 2.901 N/A LYS 54.A NZ GLU 19.A OE2 no hydrogen 2.731 N/A LYS 54.A NZ GLU 58.A OE1 no hydrogen 3.359 N/A LYS 54.A NZ GLU 58.A OE2 no hydrogen 3.334 N/A GLU 55.A N LEU 51.A O no hydrogen 2.666 N/A VAL 56.A N GLU 52.A O no hydrogen 2.740 N/A LYS 57.A N ALA 53.A O no hydrogen 3.120 N/A LYS 57.A NZ ASP 39.A OD2 no hydrogen 3.018 N/A LYS 57.A NZ GLY 61.A O no hydrogen 2.982 N/A GLU 58.A N LYS 54.A O no hydrogen 3.049 N/A SER 59.A N GLU 55.A O no hydrogen 2.909 N/A SER 59.A OG GLU 55.A O no hydrogen 2.867 N/A THR 60.A N VAL 56.A O no hydrogen 2.967 N/A THR 60.A OG1 VAL 56.A O no hydrogen 2.828 N/A THR 60.A OG1 ASN 65.A OD1 no hydrogen 2.555 N/A GLY 61.A N LYS 57.A O no hydrogen 2.776 N/A LYS 62.A N THR 60.A OG1 no hydrogen 3.154 N/A LEU 63.A N SER 41.A OG no hydrogen 3.043 N/A SER 64.A OG SER 41.A OG no hydrogen 3.203 N/A TYR 72.A N THR 43.A O no hydrogen 2.804 N/A GLN 77.A NE2 GLU 81.A OE2 no hydrogen 2.759 N/A GLU 78.A N SER 75.A OG no hydrogen 2.958 N/A LEU 79.A N SER 75.A O no hydrogen 2.760 N/A VAL 80.A N PRO 76.A O no hydrogen 3.144 N/A GLU 81.A N GLN 77.A O no hydrogen 2.909 N/A GLU 82.A N GLU 78.A O no hydrogen 2.831 N/A VAL 83.A N LEU 79.A O no hydrogen 2.895 N/A LYS 84.A N VAL 80.A O no hydrogen 2.972 N/A LYS 84.A NZ GLU 81.A O no hydrogen 2.823 N/A ASN 86.A N ASN 4.A O no hydrogen 2.812 N/A ILE 87.A N ASN 4.A O no hydrogen 3.123 N/A LEU 88.A N SER 110.A O no hydrogen 2.931 N/A VAL 89.A N SER 6.A O no hydrogen 2.820 N/A ASP 90.A N VAL 112.A O no hydrogen 2.729 N/A VAL 91.A N PHE 8.A O no hydrogen 2.810 N/A SER 92.A N ASP 90.A OD1 no hydrogen 2.901 N/A SER 92.A OG ASP 90.A OD1 no hydrogen 2.697 N/A TRP 94.A N SER 92.A OG no hydrogen 3.154 N/A ALA 97.A N TRP 94.A O no hydrogen 3.266 N/A GLU 99.A N GLU 96.A O no hydrogen 3.169 N/A TYR 101.A N ALA 97.A O no hydrogen 3.031 N/A TYR 101.A OH ASP 90.A OD2 no hydrogen 2.496 N/A LYS 102.A N HIS 98.A O no hydrogen 2.956 N/A LYS 102.A NZ GLU 125.A OE1 no hydrogen 2.566 N/A VAL 103.A N GLU 99.A O no hydrogen 3.456 N/A ALA 104.A N MET 100.A O no hydrogen 2.960 N/A LEU 105.A N TYR 101.A O no hydrogen 2.830 N/A GLY 106.A N LYS 102.A O no hydrogen 2.715 N/A GLU 107.A N ALA 104.A O no hydrogen 3.010 N/A GLY 108.A N LEU 105.A O no hydrogen 2.860 N/A ILE 109.A N ALA 104.A O no hydrogen 2.885 N/A SER 110.A N ASN 86.A O no hydrogen 3.312 N/A VAL 111.A N GLY 136.A O no hydrogen 3.100 N/A VAL 112.A N LEU 88.A O no hydrogen 2.978 N/A THR 113.A N PHE 138.A O no hydrogen 3.027 N/A THR 113.A OG1 ASP 90.A O no hydrogen 3.245 N/A THR 113.A OG1 TYR 101.A OH no hydrogen 2.642 N/A SER 114.A N ASP 90.A O no hydrogen 2.941 N/A ASN 115.A N THR 113.A OG1 no hydrogen 2.871 N/A ASN 115.A ND2 ASP 90.A OD2 no hydrogen 2.925 N/A ASN 115.A ND2 TRP 94.A O no hydrogen 2.805 N/A LYS 116.A NZ ASP 211.A OD1 no hydrogen 3.230 N/A ALA 120.A N LYS 116.A O no hydrogen 2.922 N/A ASN 121.A N PRO 117.A O no hydrogen 2.853 N/A TYR 122.A N PRO 118.A O no hydrogen 2.880 N/A TYR 123.A OH ARG 319.A O no hydrogen 2.816 N/A TYR 123.A OH ARG 319.A OXT no hydrogen 2.976 N/A GLU 125.A N ASP 124.A OD1 no hydrogen 2.626 N/A LEU 126.A N TYR 122.A O no hydrogen 2.925 N/A MET 127.A N TYR 123.A O no hydrogen 2.724 N/A ASN 128.A N ASP 124.A O no hydrogen 2.891 N/A LEU 129.A N GLU 125.A O no hydrogen 3.119 N/A ALA 130.A N LEU 126.A O no hydrogen 2.902 N/A LYS 131.A N MET 127.A O no hydrogen 3.046 N/A LYS 131.A NZ ASN 317.A O no hydrogen 2.735 N/A GLU 132.A N ASN 128.A O no hydrogen 2.797 N/A ASN 133.A N LEU 129.A O no hydrogen 3.018 N/A ASN 133.A N ALA 130.A O no hydrogen 3.157 N/A ASN 134.A N LYS 131.A O no hydrogen 3.353 N/A ALA 135.A N ALA 130.A O no hydrogen 2.684 N/A GLY 136.A N SER 110.A OG no hydrogen 3.043 N/A ILE 137.A N ASN 317.A OD1 no hydrogen 3.101 N/A PHE 138.A N VAL 111.A O no hydrogen 2.816 N/A GLU 140.A N ASP 307.A OD2 no hydrogen 2.593 N/A SER 141.A OG THR 300.A O no hydrogen 2.774 N/A THR 142.A N PHE 139.A O no hydrogen 3.157 N/A THR 142.A OG1 PHE 139.A O no hydrogen 2.663 N/A VAL 143.A N GLU 140.A O no hydrogen 3.419 N/A THR 147.A N MET 144.A O no hydrogen 2.914 N/A THR 147.A OG1 PRO 293.A O no hydrogen 2.716 N/A ILE 149.A N THR 147.A O no hydrogen 2.874 N/A ILE 150.A N GLU 140.A OE1 no hydrogen 3.087 N/A GLY 151.A N GLU 140.A OE2 no hydrogen 2.911 N/A VAL 152.A N PRO 148.A O no hydrogen 3.072 N/A LEU 153.A N ILE 149.A O no hydrogen 2.992 N/A ARG 154.A N ILE 150.A O no hydrogen 2.804 N/A ARG 154.A NE TYR 123.A OH no hydrogen 3.285 N/A ARG 154.A NE ARG 319.A OXT no hydrogen 2.817 N/A ARG 154.A NH1 ILE 137.A O no hydrogen 2.847 N/A ARG 154.A NH2 TYR 123.A OH no hydrogen 3.040 N/A ARG 154.A NH2 ILE 137.A O no hydrogen 2.897 N/A GLU 155.A N GLY 151.A O no hydrogen 3.023 N/A ASN 156.A ND2 GLY 151.A O no hydrogen 2.968 N/A GLU 160.A N LEU 157.A O no hydrogen 2.934 N/A ASN 161.A N ASN 283.A OD1 no hydrogen 2.847 N/A LYS 163.A N ARG 281.A O no hydrogen 2.844 N/A ARG 164.A N ARG 281.A O no hydrogen 3.378 N/A ILE 165.A N VAL 251.A O no hydrogen 2.776 N/A ASP 166.A N VAL 279.A O no hydrogen 2.904 N/A ALA 167.A N ALA 249.A O no hydrogen 2.849 N/A VAL 168.A N ALA 277.A O no hydrogen 2.913 N/A ASN 170.A ND2 ASP 206.A OD1 no hydrogen 2.861 N/A ASN 170.A ND2 ASP 211.A OD2 no hydrogen 2.903 N/A SER 172.A OG ILE 198.A O no hydrogen 2.978 N/A THR 173.A N ASN 170.A OD1 no hydrogen 2.773 N/A THR 173.A OG1 ASN 170.A O no hydrogen 2.746 N/A THR 173.A OG1 ASN 170.A OD1 no hydrogen 2.882 N/A THR 174.A N ASN 170.A O no hydrogen 3.374 N/A PHE 175.A N ALA 171.A O no hydrogen 2.876 N/A ILE 176.A N SER 172.A O no hydrogen 3.120 N/A LEU 177.A N THR 173.A O no hydrogen 2.934 N/A THR 178.A N THR 174.A O no hydrogen 2.919 N/A THR 178.A OG1 THR 174.A O no hydrogen 2.686 N/A LYS 179.A N PHE 175.A O no hydrogen 3.044 N/A LYS 179.A NZ GLU 182.A OE1 no hydrogen 2.965 N/A MET 180.A N ILE 176.A O no hydrogen 2.956 N/A SER 181.A N LEU 177.A O no hydrogen 2.980 N/A SER 181.A OG THR 178.A O no hydrogen 2.972 N/A GLU 182.A N LYS 179.A O no hydrogen 2.717 N/A GLY 183.A N MET 180.A O no hydrogen 3.176 N/A LYS 184.A N LYS 179.A O no hydrogen 3.223 N/A LYS 184.A NZ GLU 192.A OE1 no hydrogen 2.774 N/A ALA 189.A N THR 185.A O no hydrogen 2.905 N/A ILE 190.A N LEU 186.A O no hydrogen 2.763 N/A GLU 191.A N ASP 187.A O no hydrogen 2.972 N/A GLU 192.A N ASP 188.A O no hydrogen 2.793 N/A ALA 193.A N ALA 189.A O no hydrogen 3.128 N/A ALA 193.A N ILE 190.A O no hydrogen 3.035 N/A LYS 194.A N ILE 190.A O no hydrogen 2.987 N/A LYS 194.A NZ GLU 201.A O no hydrogen 2.899 N/A SER 195.A N GLU 191.A O no hydrogen 3.107 N/A SER 195.A OG GLU 192.A O no hydrogen 2.926 N/A LEU 196.A N ALA 193.A O no hydrogen 2.976 N/A GLY 197.A N LYS 194.A O no hydrogen 3.018 N/A ILE 198.A N ALA 193.A O no hydrogen 2.977 N/A SER 204.A N ASP 202.A OD1 no hydrogen 3.108 N/A SER 204.A OG ASP 208.A OD2 no hydrogen 2.629 N/A ILE 207.A N PRO 203.A O no hydrogen 3.141 N/A ASP 208.A N SER 204.A O no hydrogen 2.801 N/A GLY 209.A N ASP 206.A O no hydrogen 3.272 N/A ASP 211.A N LYS 205.A O no hydrogen 2.941 N/A TYR 213.A N GLY 209.A O no hydrogen 2.866 N/A TYR 213.A OH GLU 231.A OE2 no hydrogen 2.628 N/A TYR 214.A N ILE 210.A O no hydrogen 2.962 N/A LYS 215.A N ASP 211.A O no hydrogen 3.045 N/A LYS 215.A NZ VAL 169.A O no hydrogen 2.852 N/A LYS 215.A NZ ASP 211.A OD2 no hydrogen 2.814 N/A ALA 216.A N ALA 212.A O no hydrogen 2.886 N/A LYS 217.A N TYR 213.A O no hydrogen 2.873 N/A LYS 217.A NZ ALA 120.A O no hydrogen 2.878 N/A ILE 218.A N TYR 214.A O no hydrogen 3.023 N/A LEU 219.A N LYS 215.A O no hydrogen 3.061 N/A HIS 220.A N ALA 216.A O no hydrogen 2.916 N/A HIS 220.A ND1 GLU 226.A O no hydrogen 2.724 N/A TRP 221.A N LYS 217.A O no hydrogen 2.902 N/A TRP 221.A NE1 ALA 120.A O no hydrogen 2.868 N/A VAL 222.A N ILE 218.A O no hydrogen 3.053 N/A SER 223.A N LEU 219.A O no hydrogen 2.919 N/A SER 223.A OG LEU 219.A O no hydrogen 3.012 N/A TYR 224.A N HIS 220.A O no hydrogen 3.004 N/A TYR 224.A OH ILE 162.A O no hydrogen 2.555 N/A GLY 225.A N TRP 221.A O no hydrogen 2.855 N/A GLU 229.A N GLY 254.A O no hydrogen 2.787 N/A GLU 230.A N GLY 254.A O no hydrogen 3.041 N/A GLU 232.A N ILE 256.A O no hydrogen 3.004 N/A ARG 233.A NE ASP 208.A O no hydrogen 3.214 N/A LEU 234.A N VAL 258.A O no hydrogen 2.844 N/A ILE 236.A N ILE 207.A O no hydrogen 2.949 N/A ARG 237.A NH2 ASP 208.A OD2 no hydrogen 3.362 N/A VAL 239.A N ILE 236.A O no hydrogen 3.148 N/A VAL 245.A N ALA 242.A O no hydrogen 2.997 N/A ARG 246.A N ARG 261.A O no hydrogen 3.193 N/A ARG 246.A NE VAL 271.A O no hydrogen 2.706 N/A ARG 246.A NH1 VAL 271.A O no hydrogen 2.875 N/A ARG 246.A NH2 VAL 245.A O no hydrogen 2.855 N/A VAL 248.A N LYS 259.A O no hydrogen 2.947 N/A ALA 249.A N ALA 167.A O no hydrogen 2.704 N/A GLN 250.A N SER 257.A O no hydrogen 2.733 N/A VAL 251.A N ILE 165.A O no hydrogen 2.829 N/A SER 252.A N LYS 255.A O no hydrogen 2.965 N/A LYS 253.A NZ GLU 226.A OE2 no hydrogen 2.954 N/A LYS 255.A N SER 252.A O no hydrogen 2.791 N/A LYS 255.A NZ GLU 230.A OE2 no hydrogen 3.508 N/A ILE 256.A N GLU 230.A O no hydrogen 3.168 N/A SER 257.A N GLN 250.A O no hydrogen 2.976 N/A SER 257.A OG GLU 232.A OE1 no hydrogen 3.070 N/A VAL 258.A N GLU 232.A O no hydrogen 2.912 N/A LYS 259.A N VAL 248.A O no hydrogen 3.001 N/A ARG 261.A N ARG 246.A O no hydrogen 2.851 N/A LEU 263.A N ASN 244.A O no hydrogen 3.053 N/A SER 264.A OG ASP 266.A OD1 no hydrogen 2.563 N/A ASN 267.A N SER 264.A O no hydrogen 2.908 N/A LEU 269.A N ASN 267.A OD1 no hydrogen 2.883 N/A LEU 270.A N ASN 267.A O no hydrogen 3.086 N/A GLN 275.A N GLU 272.A O no hydrogen 3.079 N/A ASN 276.A N GLY 292.A O no hydrogen 2.737 N/A ALA 277.A N VAL 168.A O no hydrogen 3.123 N/A ALA 278.A N LEU 290.A O no hydrogen 2.845 N/A VAL 279.A N ASP 166.A O no hydrogen 2.696 N/A ILE 280.A N VAL 288.A O no hydrogen 2.760 N/A ARG 281.A N ARG 164.A O no hydrogen 2.817 N/A THR 282.A N GLY 286.A O no hydrogen 2.770 N/A THR 282.A OG1 GLU 160.A OE1 no hydrogen 2.521 N/A ASN 283.A N ASN 161.A O no hydrogen 3.352 N/A ASN 284.A N GLU 160.A OE1 no hydrogen 3.000 N/A ASN 284.A ND2 GLU 160.A OE2 no hydrogen 2.916 N/A LEU 285.A N THR 282.A OG1 no hydrogen 2.995 N/A GLY 286.A N THR 282.A O no hydrogen 2.947 N/A VAL 288.A N ILE 280.A O no hydrogen 2.748 N/A LEU 290.A N ALA 278.A O no hydrogen 3.006 N/A GLY 292.A N ASN 276.A O no hydrogen 3.134 N/A GLY 294.A N VAL 274.A O no hydrogen 3.087 N/A ARG 298.A NE GLU 19.A OE1 no hydrogen 3.425 N/A ARG 298.A NH2 GLU 19.A OE1 no hydrogen 3.464 N/A THR 300.A N GLY 296.A O no hydrogen 2.915 N/A THR 300.A OG1 GLY 296.A O no hydrogen 2.614 N/A ALA 301.A N GLY 297.A O no hydrogen 2.800 N/A SER 302.A N ARG 298.A O no hydrogen 2.878 N/A VAL 304.A N THR 300.A O no hydrogen 3.180 N/A PHE 305.A N ALA 301.A O no hydrogen 2.843 N/A THR 306.A N SER 302.A O no hydrogen 3.185 N/A THR 306.A OG1 SER 302.A O no hydrogen 3.534 N/A ASP 307.A N GLY 303.A O no hydrogen 3.059 N/A ILE 308.A N VAL 304.A O no hydrogen 2.909 N/A ILE 309.A N PHE 305.A O no hydrogen 3.012 N/A LYS 310.A N THR 306.A O no hydrogen 2.991 N/A LYS 310.A NZ GLU 155.A OE1 no hydrogen 3.384 N/A LYS 310.A NZ GLU 155.A OE2 no hydrogen 2.727 N/A ALA 311.A N ASP 307.A O no hydrogen 2.727 N/A THR 312.A N ILE 308.A O no hydrogen 2.962 N/A THR 312.A OG1 ILE 308.A O no hydrogen 2.816 N/A LEU 313.A N ILE 309.A O no hydrogen 3.035 N/A LYS 314.A N ALA 311.A O no hydrogen 3.190 N/A PHE 315.A N LYS 310.A O no hydrogen 2.951 N/A ARG 319.A NH1 LEU 153.A O no hydrogen 2.728 N/A ARG 319.A NH1 LEU 157.A O no hydrogen 3.363 N/A ARG 319.A NH2 LEU 157.A O no hydrogen 3.052 N/A