Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pq7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N LEU 1.A O no hydrogen 3.237 N/A THR 6.A N ASP 2.A O no hydrogen 3.218 N/A THR 6.A OG1 ASP 2.A O no hydrogen 2.625 N/A ARG 7.A N ASP 3.A O no hydrogen 3.292 N/A ARG 7.A NH1 VAL 20.A O no hydrogen 3.336 N/A ARG 7.A NH2 GLU 25.A OE1 no hydrogen 3.097 N/A LEU 8.A N ILE 4.A O no hydrogen 3.006 N/A LEU 9.A N ILE 5.A O no hydrogen 3.028 N/A GLU 10.A N THR 6.A O no hydrogen 2.863 N/A VAL 11.A N ARG 7.A O no hydrogen 2.997 N/A LYS 12.A N LEU 8.A O no hydrogen 3.011 N/A LYS 12.A NZ LEU 8.A O no hydrogen 2.526 N/A GLY 13.A N LEU 9.A O no hydrogen 2.814 N/A LYS 14.A N VAL 11.A O no hydrogen 3.180 N/A LYS 14.A NZ GLU 10.A O no hydrogen 3.507 N/A THR 22.A N GLU 25.A OE1 no hydrogen 3.038 N/A GLU 25.A N THR 22.A OG1 no hydrogen 2.772 N/A ILE 26.A N THR 22.A O no hydrogen 2.982 N/A LYS 27.A N GLU 23.A O no hydrogen 2.786 N/A GLN 28.A N ALA 24.A O no hydrogen 3.069 N/A LEU 29.A N GLU 25.A O no hydrogen 2.954 N/A CYS 30.A N ILE 26.A O no hydrogen 3.068 N/A CYS 30.A SG ILE 26.A O no hydrogen 3.592 N/A LEU 31.A N LYS 27.A O no hydrogen 3.021 N/A VAL 32.A N GLN 28.A O no hydrogen 2.954 N/A ALA 33.A N LEU 29.A O no hydrogen 2.879 N/A LYS 34.A N CYS 30.A O no hydrogen 3.016 N/A GLU 35.A N LEU 31.A O no hydrogen 3.085 N/A THR 36.A N VAL 32.A O no hydrogen 3.041 N/A THR 36.A OG1 VAL 32.A O no hydrogen 3.063 N/A PHE 37.A N ALA 33.A O no hydrogen 2.861 N/A LEU 38.A N LYS 34.A O no hydrogen 3.112 N/A ARG 39.A N GLU 35.A O no hydrogen 3.082 N/A ARG 39.A N THR 36.A O no hydrogen 3.259 N/A GLN 40.A N THR 36.A O no hydrogen 3.294 N/A GLN 40.A NE2 PRO 106.A O no hydrogen 2.762 N/A GLN 40.A NE2 GLU 107.A OE2 no hydrogen 3.475 N/A ASN 42.A ND2 LEU 180.A O no hydrogen 2.988 N/A LEU 44.A N ALA 153.A O no hydrogen 2.839 N/A LEU 46.A N LEU 155.A O no hydrogen 2.844 N/A ALA 48.A N ASP 157.A OD1 no hydrogen 2.905 N/A ILE 50.A N VAL 276.A O no hydrogen 3.066 N/A LYS 51.A N ASN 77.A O no hydrogen 2.791 N/A LYS 51.A NZ SER 275.A OG no hydrogen 3.004 N/A ILE 52.A N MET 274.A O no hydrogen 2.819 N/A CYS 53.A N LEU 79.A O no hydrogen 2.931 N/A GLY 54.A N SER 259.A OG no hydrogen 2.808 N/A ILE 56.A N ASP 83.A O no hydrogen 3.063 N/A HIS 57.A N ASP 83.A O no hydrogen 2.989 N/A HIS 57.A ND1 VAL 85.A O no hydrogen 2.671 N/A GLY 58.A N TYR 84.A O no hydrogen 2.876 N/A GLN 59.A N ILE 56.A O no hydrogen 3.049 N/A TYR 60.A N GLY 58.A O no hydrogen 2.905 N/A TYR 60.A OH LYS 12.A O no hydrogen 2.557 N/A LEU 63.A N GLN 59.A O no hydrogen 3.066 N/A LEU 64.A N TYR 60.A O no hydrogen 3.029 N/A ARG 65.A N SER 61.A O no hydrogen 3.076 N/A ARG 65.A NH1 LYS 288.A O no hydrogen 3.021 N/A ARG 65.A NH2 ASP 62.A OD1 no hydrogen 2.681 N/A LEU 66.A N ASP 62.A O no hydrogen 2.959 N/A PHE 67.A N LEU 63.A O no hydrogen 3.148 N/A GLU 68.A N LEU 64.A O no hydrogen 2.940 N/A TYR 69.A N ARG 65.A O no hydrogen 3.032 N/A GLY 70.A N LEU 66.A O no hydrogen 2.947 N/A GLY 71.A N PHE 67.A O no hydrogen 2.749 N/A GLN 75.A N LEU 72.A O no hydrogen 2.977 N/A SER 76.A OG GLY 70.A O no hydrogen 2.495 N/A ASN 77.A ND2 PRO 49.A O no hydrogen 3.009 N/A TYR 78.A N ASN 108.A O no hydrogen 3.226 N/A TYR 78.A OH GLY 71.A O no hydrogen 2.493 N/A LEU 79.A N LYS 51.A O no hydrogen 2.739 N/A PHE 80.A N PHE 110.A O no hydrogen 2.961 N/A LEU 81.A N CYS 53.A O no hydrogen 2.819 N/A ASP 83.A N GLU 117.A OE1 no hydrogen 2.742 N/A TYR 84.A N GLU 117.A OE2 no hydrogen 2.742 N/A TYR 84.A OH LEU 112.A O no hydrogen 2.600 N/A ASP 86.A N SER 91.A OG no hydrogen 3.186 N/A ARG 87.A N TYR 125.A O no hydrogen 3.105 N/A ARG 87.A NH1 TYR 125.A O no hydrogen 3.372 N/A GLY 88.A N ASP 86.A O no hydrogen 2.757 N/A GLN 90.A N GLY 58.A O no hydrogen 3.034 N/A GLN 90.A NE2 GLY 16.A O no hydrogen 2.791 N/A SER 91.A N GLU 130.A OE1 no hydrogen 3.018 N/A SER 91.A OG GLU 130.A OE1 no hydrogen 3.228 N/A LEU 92.A N GLU 130.A OE2 no hydrogen 2.829 N/A GLU 93.A N GLU 93.A OE1 no hydrogen 2.840 N/A THR 94.A N GLN 90.A O no hydrogen 3.133 N/A THR 94.A OG1 GLN 90.A O no hydrogen 2.726 N/A ILE 95.A N SER 91.A O no hydrogen 2.847 N/A CYS 96.A N LEU 92.A O no hydrogen 2.818 N/A CYS 96.A SG LEU 92.A O no hydrogen 3.249 N/A LEU 97.A N GLU 93.A O no hydrogen 3.022 N/A LEU 98.A N THR 94.A O no hydrogen 3.124 N/A LEU 99.A N ILE 95.A O no hydrogen 2.846 N/A ALA 100.A N CYS 96.A O no hydrogen 2.933 N/A TYR 101.A N LEU 97.A O no hydrogen 2.986 N/A LYS 102.A N LEU 98.A O no hydrogen 2.981 N/A LYS 102.A NZ GLN 40.A OE1 no hydrogen 2.773 N/A LYS 102.A NZ PRO 106.A O no hydrogen 2.698 N/A LYS 102.A NZ PHE 109.A O no hydrogen 2.557 N/A ILE 103.A N LEU 99.A O no hydrogen 3.103 N/A LYS 104.A N ALA 100.A O no hydrogen 2.977 N/A LYS 104.A NZ ASP 2.A OD1 no hydrogen 3.327 N/A TYR 105.A N TYR 101.A O no hydrogen 2.762 N/A ASN 108.A N TYR 105.A O no hydrogen 3.024 N/A ASN 108.A ND2 ASN 77.A OD1 no hydrogen 2.955 N/A PHE 110.A N TYR 78.A O no hydrogen 2.944 N/A LEU 112.A N PHE 80.A O no hydrogen 2.959 N/A ARG 113.A N PRO 151.A O no hydrogen 2.777 N/A ARG 113.A NE GLU 117.A O no hydrogen 2.775 N/A ARG 113.A NH1 GLU 117.A O no hydrogen 3.024 N/A ARG 113.A NH1 THR 184.A O no hydrogen 3.334 N/A ARG 113.A NH2 THR 184.A O no hydrogen 2.962 N/A GLY 114.A N GLU 117.A OE1 no hydrogen 2.674 N/A HIS 116.A N ASP 83.A OD1 no hydrogen 3.043 N/A HIS 116.A ND1 ASN 115.A OD1 no hydrogen 3.293 N/A GLU 117.A N GLY 114.A O no hydrogen 2.961 N/A CYS 118.A SG SER 120.A OG no hydrogen 3.490 N/A CYS 118.A SG ASP 185.A OD1 no hydrogen 3.729 N/A ILE 121.A N CYS 118.A O no hydrogen 3.121 N/A ASN 122.A N CYS 118.A O no hydrogen 2.909 N/A ASN 122.A ND2 HIS 116.A O no hydrogen 3.012 N/A ARG 123.A N ALA 119.A O no hydrogen 2.779 N/A ARG 123.A NH2 ARG 123.A O no hydrogen 3.538 N/A ILE 124.A N ILE 121.A O no hydrogen 2.787 N/A TYR 125.A N ILE 121.A O no hydrogen 3.115 N/A PHE 127.A N ASP 86.A OD1 no hydrogen 3.007 N/A TYR 128.A N ASN 122.A O no hydrogen 3.290 N/A GLU 130.A N GLY 126.A O no hydrogen 2.836 N/A CYS 131.A N PHE 127.A O no hydrogen 2.820 N/A CYS 131.A SG PHE 127.A O no hydrogen 3.573 N/A LYS 132.A N TYR 128.A O no hydrogen 2.965 N/A ARG 133.A N ASP 129.A O no hydrogen 3.007 N/A ARG 134.A N GLU 130.A O no hydrogen 3.132 N/A ARG 134.A NH1 GLU 93.A OE2 no hydrogen 2.419 N/A ARG 134.A NH2 GLU 93.A OE1 no hydrogen 2.823 N/A ARG 134.A NH2 GLU 130.A OE2 no hydrogen 2.974 N/A PHE 135.A N CYS 131.A O no hydrogen 2.785 N/A ASN 136.A ND2 GLU 23.A OE1 no hydrogen 2.432 N/A ARG 138.A NH1 GLU 23.A OE2 no hydrogen 3.153 N/A LEU 139.A N ASN 136.A OD1 no hydrogen 2.910 N/A TRP 140.A NE1 ASN 122.A OD1 no hydrogen 2.721 N/A LYS 141.A N VAL 137.A O no hydrogen 3.180 N/A ILE 142.A N ARG 138.A O no hydrogen 3.107 N/A PHE 143.A N LEU 139.A O no hydrogen 3.157 N/A THR 144.A N TRP 140.A O no hydrogen 2.994 N/A THR 144.A OG1 TRP 140.A O no hydrogen 3.069 N/A ASP 145.A N LYS 141.A O no hydrogen 2.998 N/A CYS 146.A N ILE 142.A O no hydrogen 3.205 N/A CYS 146.A SG CYS 30.A O no hydrogen 3.542 N/A PHE 147.A N PHE 143.A O no hydrogen 2.687 N/A ASN 148.A N THR 144.A O no hydrogen 2.867 N/A CYS 149.A N CYS 146.A O no hydrogen 2.941 N/A CYS 149.A SG ASP 145.A O no hydrogen 3.695 N/A LEU 150.A N PHE 147.A O no hydrogen 3.073 N/A VAL 152.A N ASN 42.A O no hydrogen 3.108 N/A ALA 153.A N ASN 42.A O no hydrogen 3.343 N/A ALA 154.A N CYS 162.A O no hydrogen 2.917 N/A LEU 155.A N LEU 44.A O no hydrogen 2.755 N/A ILE 156.A N ILE 160.A O no hydrogen 2.768 N/A ASP 157.A N LEU 46.A O no hydrogen 2.930 N/A LYS 159.A N ILE 156.A O no hydrogen 2.870 N/A LYS 159.A NZ ASP 233.A OD1 no hydrogen 3.259 N/A LYS 159.A NZ ASP 233.A OD2 no hydrogen 3.057 N/A ILE 160.A N ILE 156.A O no hydrogen 3.148 N/A LEU 161.A N LEU 234.A O no hydrogen 2.985 N/A CYS 162.A N ALA 154.A O no hydrogen 2.748 N/A MET 163.A N CYS 236.A O no hydrogen 3.157 N/A HIS 164.A ND1 LEU 81.A O no hydrogen 2.792 N/A HIS 164.A NE2 ASN 115.A OD1 no hydrogen 2.919 N/A GLY 165.A N LEU 195.A O no hydrogen 2.801 N/A GLY 166.A N LEU 195.A O no hydrogen 3.310 N/A SER 168.A OG ASP 194.A OD2 no hydrogen 2.504 N/A ASP 170.A N SER 168.A OG no hydrogen 3.024 N/A LEU 171.A N SER 168.A O no hydrogen 2.984 N/A ASN 172.A N GLN 176.A OE1 no hydrogen 2.738 N/A HIS 173.A N GLN 176.A OE1 no hydrogen 2.777 N/A GLN 176.A N HIS 173.A O no hydrogen 2.908 N/A GLN 176.A NE2 ASP 170.A O no hydrogen 2.991 N/A ILE 177.A N LEU 174.A O no hydrogen 3.016 N/A ARG 178.A NH1 GLU 45.A OE2 no hydrogen 3.009 N/A ARG 178.A NH2 GLU 45.A OE2 no hydrogen 2.995 N/A GLY 179.A N ASP 175.A O no hydrogen 3.045 N/A GLY 179.A N GLN 176.A O no hydrogen 3.308 N/A LEU 180.A N ILE 177.A O no hydrogen 3.085 N/A ARG 182.A NH1 PHE 37.A O no hydrogen 3.295 N/A ARG 182.A NH1 GLN 40.A O no hydrogen 2.568 N/A ARG 182.A NH2 PHE 37.A O no hydrogen 2.991 N/A ARG 182.A NH2 CYS 149.A O no hydrogen 3.010 N/A THR 184.A N ASN 148.A O no hydrogen 3.128 N/A THR 184.A OG1 GLN 181.A O no hydrogen 3.123 N/A THR 184.A OG1 ARG 182.A O no hydrogen 2.709 N/A VAL 186.A N ASP 185.A OD1 no hydrogen 2.818 N/A CYS 193.A SG ASP 188.A O no hydrogen 3.416 N/A ASP 194.A N GLY 190.A O no hydrogen 2.952 N/A LEU 195.A N LEU 191.A O no hydrogen 2.861 N/A LEU 196.A N LEU 192.A O no hydrogen 3.228 N/A LEU 196.A N CYS 193.A O no hydrogen 3.103 N/A TRP 197.A N ASP 194.A O no hydrogen 3.186 N/A SER 198.A N ASP 194.A O no hydrogen 2.977 N/A SER 198.A OG LEU 167.A O no hydrogen 2.781 N/A SER 198.A OG ASP 194.A O no hydrogen 3.303 N/A ASP 199.A N TYR 216.A O no hydrogen 3.099 N/A SER 201.A N PHE 218.A O no hydrogen 2.871 N/A GLU 203.A N SER 201.A OG no hydrogen 3.099 N/A VAL 204.A N SER 201.A OG no hydrogen 3.053 N/A GLY 206.A N ASP 221.A OD1 no hydrogen 2.779 N/A GLY 208.A N THR 217.A O no hydrogen 2.816 N/A ASN 210.A N SER 215.A O no hydrogen 3.188 N/A ASN 210.A ND2 ASP 199.A OD2 no hydrogen 2.724 N/A ASN 210.A ND2 TYR 216.A O no hydrogen 2.949 N/A ARG 212.A N ASN 210.A OD1 no hydrogen 2.886 N/A ARG 212.A NE ASP 199.A OD2 no hydrogen 2.687 N/A ARG 212.A NH1 ASP 199.A OD1 no hydrogen 3.050 N/A ARG 212.A NH1 ASP 199.A OD2 no hydrogen 3.375 N/A ARG 212.A NH1 HIS 239.A O no hydrogen 3.220 N/A GLY 213.A N ASN 210.A O no hydrogen 2.958 N/A SER 215.A OG ASP 194.A OD1 no hydrogen 2.843 N/A THR 217.A N GLY 208.A O no hydrogen 2.598 N/A PHE 218.A N ASP 199.A O no hydrogen 3.017 N/A GLY 219.A N GLY 206.A O no hydrogen 2.788 N/A LYS 222.A NZ GLU 225.A OE1 no hydrogen 3.005 N/A VAL 223.A N GLY 219.A O no hydrogen 3.323 N/A THR 224.A N ALA 220.A O no hydrogen 3.003 N/A THR 224.A OG1 ALA 220.A O no hydrogen 3.022 N/A THR 224.A OG1 GLN 253.A OE1 no hydrogen 2.879 N/A GLU 225.A N ASP 221.A O no hydrogen 2.970 N/A PHE 226.A N LYS 222.A O no hydrogen 2.832 N/A LEU 227.A N VAL 223.A O no hydrogen 2.948 N/A GLU 228.A N THR 224.A O no hydrogen 3.052 N/A LYS 229.A N GLU 225.A O no hydrogen 2.996 N/A HIS 230.A N PHE 226.A O no hydrogen 2.998 N/A HIS 230.A ND1 PHE 226.A O no hydrogen 2.996 N/A HIS 230.A NE2 ASN 172.A O no hydrogen 2.818 N/A LEU 232.A N LEU 227.A O no hydrogen 2.958 N/A ASP 233.A N LYS 159.A O no hydrogen 2.898 N/A LEU 234.A N LYS 159.A O no hydrogen 3.324 N/A ILE 235.A N GLN 253.A O no hydrogen 2.859 N/A CYS 236.A N LEU 161.A O no hydrogen 2.835 N/A ARG 237.A N VAL 255.A O no hydrogen 2.983 N/A ARG 237.A NE GLY 165.A O no hydrogen 2.597 N/A ARG 237.A NH1 GLY 165.A O no hydrogen 3.344 N/A ARG 237.A NH1 SER 198.A O no hydrogen 3.163 N/A ARG 237.A NH1 ASP 199.A OD1 no hydrogen 2.837 N/A ARG 237.A NH2 GLN 240.A OE1 no hydrogen 2.998 N/A ARG 237.A NH2 THR 256.A OG1 no hydrogen 2.770 N/A ALA 238.A N HIS 164.A O no hydrogen 2.932 N/A HIS 239.A N ASP 55.A OD1 no hydrogen 3.119 N/A GLY 245.A N VAL 242.A O no hydrogen 3.072 N/A GLU 247.A N THR 256.A O no hydrogen 3.096 N/A PHE 249.A N LEU 254.A O no hydrogen 2.986 N/A GLN 253.A N PHE 249.A O no hydrogen 3.094 N/A GLN 253.A N ALA 250.A O no hydrogen 3.105 N/A LEU 254.A N PHE 249.A O no hydrogen 3.164 N/A VAL 255.A N ILE 235.A O no hydrogen 2.756 N/A THR 256.A N GLU 247.A O no hydrogen 2.838 N/A VAL 257.A N ARG 237.A O no hydrogen 2.726 N/A PHE 258.A N GLY 245.A O no hydrogen 2.993 N/A SER 259.A N ASP 55.A O no hydrogen 3.010 N/A SER 259.A OG ALA 272.A O no hydrogen 2.547 N/A ASN 262.A N ASN 269.A O no hydrogen 2.816 N/A TYR 263.A N ASN 269.A OD1 no hydrogen 2.867 N/A GLY 265.A N ASN 262.A O no hydrogen 2.955 N/A GLU 266.A N TYR 263.A O no hydrogen 2.862 N/A PHE 267.A N TYR 263.A O no hydrogen 3.118 N/A ASP 268.A N ASN 262.A OD1 no hydrogen 2.807 N/A ASN 269.A ND2 ALA 260.A O no hydrogen 2.731 N/A ASN 269.A ND2 ALA 270.A O no hydrogen 3.095 N/A ALA 270.A N GLU 243.A O no hydrogen 2.707 N/A GLY 271.A N LEU 287.A O no hydrogen 2.878 N/A ALA 272.A N PHE 258.A O no hydrogen 2.902 N/A MET 273.A N GLN 285.A O no hydrogen 2.913 N/A MET 274.A N ILE 52.A O no hydrogen 2.975 N/A SER 275.A N SER 283.A O no hydrogen 2.882 N/A SER 275.A OG GLN 285.A OE1 no hydrogen 2.544 N/A VAL 276.A N ILE 50.A O no hydrogen 2.820 N/A ASP 277.A N MET 281.A O no hydrogen 2.918 N/A THR 279.A N ASP 277.A OD1 no hydrogen 3.028 N/A THR 279.A OG1 ASP 277.A OD1 no hydrogen 2.736 N/A LEU 280.A N ASP 277.A O no hydrogen 2.929 N/A MET 281.A N ASP 277.A OD1 no hydrogen 2.931 N/A CYS 282.A SG LEU 280.A O no hydrogen 3.844 N/A SER 283.A N SER 275.A O no hydrogen 3.011 N/A GLN 285.A N MET 273.A O no hydrogen 2.916 N/A GLN 285.A NE2 SER 283.A OG no hydrogen 3.379 N/A LEU 287.A N GLY 271.A O no hydrogen 2.726 N/A LYS 288.A NZ ASP 268.A O no hydrogen 3.152 N/A