Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cqk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ASP 30.A OD2 no hydrogen 2.892 N/A GLY 5.A N TYR 244.A O no hydrogen 2.859 N/A ILE 6.A N PHE 31.A O no hydrogen 3.048 N/A TYR 7.A N ILE 246.A O no hydrogen 3.000 N/A GLU 8.A N GLU 33.A O no hydrogen 2.956 N/A LYS 9.A NZ ASP 37.A OD2 no hydrogen 2.504 N/A ALA 10.A N TYR 7.A O no hydrogen 3.117 N/A LEU 11.A N GLU 8.A O no hydrogen 3.001 N/A TRP 17.A NE1 GLU 15.A OE1 no hydrogen 2.918 N/A ARG 20.A N CYS 16.A O no hydrogen 3.297 N/A ARG 20.A NH1 GLY 14.A O no hydrogen 2.714 N/A ARG 20.A NH2 PRO 12.A O no hydrogen 3.147 N/A ARG 20.A NH2 GLY 14.A O no hydrogen 2.367 N/A LEU 21.A N TRP 17.A O no hydrogen 2.753 N/A GLN 22.A N LEU 18.A O no hydrogen 2.830 N/A LEU 23.A N GLU 19.A O no hydrogen 3.027 N/A ALA 24.A N ARG 20.A O no hydrogen 3.160 N/A LYS 25.A N LEU 21.A O no hydrogen 3.070 N/A LYS 25.A NZ THR 63.A O no hydrogen 2.867 N/A THR 26.A N GLN 22.A O no hydrogen 3.062 N/A THR 26.A OG1 GLN 22.A O no hydrogen 3.337 N/A LEU 27.A N LEU 23.A O no hydrogen 2.930 N/A GLY 28.A N LYS 25.A O no hydrogen 2.986 N/A PHE 29.A N ALA 24.A O no hydrogen 2.966 N/A ASP 30.A N LEU 4.A O no hydrogen 2.852 N/A VAL 32.A N ARG 66.A O no hydrogen 2.991 N/A GLU 33.A N ILE 6.A O no hydrogen 3.078 N/A MET 34.A N SER 69.A O no hydrogen 3.135 N/A SER 35.A N GLU 8.A OE1 no hydrogen 2.857 N/A SER 35.A OG TYR 7.A OH no hydrogen 3.287 N/A VAL 36.A N CYS 71.A O no hydrogen 2.840 N/A THR 39.A N ASP 37.A OD1 no hydrogen 3.282 N/A THR 39.A OG1 ASP 37.A OD1 no hydrogen 2.989 N/A ARG 42.A N THR 39.A OG1 no hydrogen 3.422 N/A ARG 42.A NE GLU 8.A OE2 no hydrogen 2.902 N/A ARG 42.A NH1 ASP 37.A OD2 no hydrogen 2.840 N/A LEU 43.A N THR 39.A O no hydrogen 2.966 N/A SER 44.A N ASP 40.A O no hydrogen 2.901 N/A SER 44.A OG GLU 41.A O no hydrogen 2.573 N/A ARG 45.A N ARG 42.A O no hydrogen 3.079 N/A ARG 45.A NE GLU 15.A OE1 no hydrogen 3.337 N/A ARG 45.A NE GLU 15.A OE2 no hydrogen 3.191 N/A ARG 45.A NH1 GLU 8.A OE1 no hydrogen 2.644 N/A ARG 45.A NH1 GLU 8.A OE2 no hydrogen 3.099 N/A ARG 45.A NH2 GLU 8.A OE2 no hydrogen 2.670 N/A ARG 45.A NH2 GLU 15.A OE1 no hydrogen 3.203 N/A LEU 46.A N LEU 43.A O no hydrogen 3.215 N/A ASP 47.A N SER 44.A O no hydrogen 2.883 N/A TRP 48.A N ARG 45.A O no hydrogen 3.163 N/A SER 49.A N GLN 52.A OE1 no hydrogen 3.062 N/A SER 49.A OG GLN 52.A OE1 no hydrogen 3.508 N/A GLN 52.A N SER 49.A OG no hydrogen 3.162 N/A ARG 53.A N SER 49.A O no hydrogen 2.998 N/A ARG 53.A NE TRP 48.A O no hydrogen 2.941 N/A ARG 53.A NH1 ASP 104.A OD2 no hydrogen 2.849 N/A ARG 53.A NH2 LEU 46.A O no hydrogen 2.860 N/A ARG 53.A NH2 TRP 48.A O no hydrogen 3.060 N/A LEU 54.A N ARG 50.A O no hydrogen 2.776 N/A ALA 55.A N GLU 51.A O no hydrogen 2.985 N/A LEU 56.A N GLN 52.A O no hydrogen 3.247 N/A VAL 57.A N ARG 53.A O no hydrogen 3.177 N/A ASN 58.A N LEU 54.A O no hydrogen 2.966 N/A ALA 59.A N ALA 55.A O no hydrogen 3.051 N/A ILE 60.A N LEU 56.A O no hydrogen 3.044 N/A VAL 61.A N VAL 57.A O no hydrogen 3.029 N/A GLU 62.A N ASN 58.A O no hydrogen 3.055 N/A THR 63.A N ALA 59.A O no hydrogen 2.966 N/A THR 63.A OG1 ALA 59.A O no hydrogen 2.791 N/A THR 63.A OG1 ILE 60.A O no hydrogen 3.531 N/A GLY 64.A N ILE 60.A O no hydrogen 2.869 N/A VAL 65.A N THR 63.A OG1 no hydrogen 3.248 N/A ARG 66.A N ASP 30.A O no hydrogen 3.216 N/A SER 69.A OG GLU 33.A OE2 no hydrogen 2.706 N/A MET 70.A N VAL 109.A O no hydrogen 2.913 N/A CYS 71.A N MET 34.A O no hydrogen 2.786 N/A CYS 71.A SG TYR 7.A OH no hydrogen 3.251 N/A CYS 71.A SG GLN 111.A OE1 no hydrogen 3.837 N/A LEU 72.A N GLN 111.A O no hydrogen 2.966 N/A ALA 74.A N VAL 36.A O no hydrogen 3.259 N/A HIS 75.A NE2 GLY 91.A O no hydrogen 2.675 N/A ARG 76.A N SER 73.A O no hydrogen 3.038 N/A ARG 76.A NE TYR 115.A OH no hydrogen 3.207 N/A ARG 76.A NH1 TYR 115.A OH no hydrogen 2.997 N/A ARG 76.A NH2 GLU 38.A OE2 no hydrogen 2.953 N/A ARG 77.A N ALA 74.A O no hydrogen 3.080 N/A ARG 77.A NH1 GLU 38.A O no hydrogen 2.784 N/A ARG 77.A NH1 ASP 40.A OD1 no hydrogen 3.033 N/A PHE 78.A N ALA 74.A O no hydrogen 2.982 N/A SER 82.A N PRO 79.A O no hydrogen 3.421 N/A SER 82.A OG ASP 84.A O no hydrogen 3.291 N/A ASP 84.A N SER 82.A OG no hydrogen 3.143 N/A ALA 86.A N ASP 84.A OD1 no hydrogen 3.113 N/A VAL 87.A N ASP 84.A O no hydrogen 2.976 N/A ARG 88.A N ASP 84.A O no hydrogen 3.033 N/A ARG 88.A NE LEU 80.A O no hydrogen 2.711 N/A ARG 88.A NE ARG 129.A O no hydrogen 3.271 N/A ARG 88.A NH2 ARG 129.A O no hydrogen 2.788 N/A ALA 89.A N ASP 85.A O no hydrogen 3.101 N/A GLN 90.A N ALA 86.A O no hydrogen 3.237 N/A GLN 90.A NE2 ALA 86.A O no hydrogen 3.563 N/A GLY 91.A N VAL 87.A O no hydrogen 3.029 N/A LEU 92.A N ARG 88.A O no hydrogen 3.094 N/A GLU 93.A N ALA 89.A O no hydrogen 3.011 N/A ILE 94.A N GLN 90.A O no hydrogen 3.059 N/A MET 95.A N GLY 91.A O no hydrogen 3.120 N/A ARG 96.A N LEU 92.A O no hydrogen 2.958 N/A ARG 96.A NE GLU 93.A OE1 no hydrogen 3.509 N/A ARG 96.A NE GLU 93.A OE2 no hydrogen 3.092 N/A ARG 96.A NH2 GLU 93.A OE2 no hydrogen 3.024 N/A LYS 97.A N GLU 93.A O no hydrogen 2.917 N/A LYS 97.A NZ ASP 47.A OD1 no hydrogen 2.435 N/A ALA 98.A N ILE 94.A O no hydrogen 2.843 N/A ILE 99.A N MET 95.A O no hydrogen 3.122 N/A GLN 100.A N ARG 96.A O no hydrogen 3.104 N/A PHE 101.A N LYS 97.A O no hydrogen 2.924 N/A ALA 102.A N ALA 98.A O no hydrogen 2.744 N/A GLN 103.A N ILE 99.A O no hydrogen 2.800 N/A ASP 104.A N GLN 100.A O no hydrogen 2.746 N/A VAL 105.A N PHE 101.A O no hydrogen 2.910 N/A GLY 106.A N ALA 102.A O no hydrogen 2.842 N/A ILE 107.A N ALA 102.A O no hydrogen 3.104 N/A ARG 108.A N PRO 68.A O no hydrogen 2.620 N/A VAL 109.A N PRO 68.A O no hydrogen 2.925 N/A ILE 110.A N THR 147.A O no hydrogen 2.811 N/A GLN 111.A N MET 70.A O no hydrogen 2.668 N/A LEU 112.A N ALA 149.A O no hydrogen 2.912 N/A TYR 115.A OH ASP 154.A OD1 no hydrogen 2.759 N/A VAL 117.A N ASP 116.A OD1 no hydrogen 2.919 N/A TYR 119.A OH GLU 38.A OE1 no hydrogen 2.864 N/A TYR 119.A OH GLU 38.A OE2 no hydrogen 3.233 N/A ASN 123.A N THR 126.A OG1 no hydrogen 2.874 N/A ASN 123.A ND2 GLU 83.A OE2 no hydrogen 2.769 N/A THR 126.A N ASN 123.A OD1 no hydrogen 2.907 N/A THR 126.A OG1 ASP 116.A OD2 no hydrogen 2.863 N/A THR 126.A OG1 ASN 123.A O no hydrogen 2.770 N/A ARG 127.A N ASN 123.A O no hydrogen 3.259 N/A ARG 127.A NH2 ASN 124.A OD1 no hydrogen 2.917 N/A ARG 128.A N ASN 124.A O no hydrogen 3.055 N/A ARG 129.A N GLU 125.A O no hydrogen 3.061 N/A ARG 129.A NE GLU 125.A OE2 no hydrogen 2.903 N/A ARG 129.A NH1 ASP 85.A OD2 no hydrogen 2.788 N/A ARG 129.A NH2 SER 82.A O no hydrogen 2.973 N/A ARG 129.A NH2 ASP 85.A OD2 no hydrogen 2.733 N/A PHE 130.A N THR 126.A O no hydrogen 3.018 N/A ARG 131.A N ARG 127.A O no hydrogen 3.149 N/A ASP 132.A N ARG 128.A O no hydrogen 3.104 N/A GLY 133.A N ARG 129.A O no hydrogen 3.060 N/A LEU 134.A N PHE 130.A O no hydrogen 2.967 N/A LEU 134.A N ARG 131.A O no hydrogen 3.210 N/A LYS 135.A N ARG 131.A O no hydrogen 3.076 N/A GLU 136.A N ASP 132.A O no hydrogen 3.052 N/A SER 137.A N GLY 133.A O no hydrogen 2.980 N/A SER 137.A OG GLY 133.A O no hydrogen 2.560 N/A VAL 138.A N LEU 134.A O no hydrogen 2.908 N/A GLU 139.A N LYS 135.A O no hydrogen 2.932 N/A MET 140.A N GLU 136.A O no hydrogen 3.234 N/A ALA 141.A N SER 137.A O no hydrogen 2.964 N/A SER 142.A N VAL 138.A O no hydrogen 2.891 N/A SER 142.A OG VAL 138.A O no hydrogen 2.784 N/A ARG 143.A N GLU 139.A O no hydrogen 3.190 N/A ALA 144.A N MET 140.A O no hydrogen 3.138 N/A VAL 146.A N ALA 141.A O no hydrogen 2.962 N/A LEU 148.A N TRP 175.A O no hydrogen 2.929 N/A ALA 149.A N ILE 110.A O no hydrogen 2.992 N/A MET 150.A N GLN 177.A O no hydrogen 2.874 N/A GLU 151.A N LEU 112.A O no hydrogen 3.135 N/A MET 153.A N MET 158.A O no hydrogen 2.889 N/A TYR 155.A OH ASP 116.A OD1 no hydrogen 2.689 N/A MET 158.A N TYR 155.A O no hydrogen 3.170 N/A SER 162.A N GLU 195.A OE1 no hydrogen 2.786 N/A SER 162.A OG GLU 195.A OE1 no hydrogen 3.240 N/A SER 162.A OG GLU 195.A OE2 no hydrogen 2.495 N/A LYS 163.A N SER 160.A O no hydrogen 3.270 N/A LYS 163.A N SER 160.A OG no hydrogen 3.380 N/A LYS 163.A NZ PRO 156.A O no hydrogen 2.922 N/A LYS 163.A NZ ASN 159.A OD1 no hydrogen 2.699 N/A ALA 164.A N SER 160.A O no hydrogen 3.280 N/A LEU 165.A N ILE 161.A O no hydrogen 2.772 N/A GLY 166.A N SER 162.A O no hydrogen 3.020 N/A TYR 167.A N LYS 163.A O no hydrogen 3.297 N/A ALA 168.A N ALA 164.A O no hydrogen 2.933 N/A HIS 169.A N LEU 165.A O no hydrogen 2.921 N/A TYR 170.A N GLY 166.A O no hydrogen 3.075 N/A LEU 171.A N TYR 167.A O no hydrogen 2.795 N/A ASN 172.A N ALA 168.A O no hydrogen 2.929 N/A ASN 173.A ND2 SER 142.A OG no hydrogen 2.676 N/A TRP 175.A N ASN 173.A OD1 no hydrogen 2.781 N/A PHE 176.A N ASN 173.A O no hydrogen 3.100 N/A GLN 177.A N LEU 148.A O no hydrogen 2.860 N/A GLN 177.A NE2 PRO 174.A O no hydrogen 2.687 N/A LEU 178.A N HIS 202.A O no hydrogen 2.793 N/A TYR 179.A N MET 150.A O no hydrogen 2.942 N/A TYR 179.A OH GLU 33.A OE2 no hydrogen 2.549 N/A ILE 182.A N HIS 207.A O no hydrogen 3.202 N/A GLY 183.A N ASP 181.A OD1 no hydrogen 2.685 N/A ASN 184.A N ASP 181.A OD1 no hydrogen 2.915 N/A ASN 184.A ND2 ILE 152.A O no hydrogen 2.826 N/A LEU 185.A N ASP 181.A O no hydrogen 2.935 N/A SER 186.A N ILE 182.A O no hydrogen 3.306 N/A SER 186.A N GLY 183.A O no hydrogen 3.173 N/A SER 186.A OG ILE 182.A O no hydrogen 2.908 N/A ALA 187.A N ASN 184.A O no hydrogen 3.384 N/A ASN 190.A ND2 ASN 159.A O no hydrogen 2.912 N/A ASN 190.A ND2 LEU 185.A O no hydrogen 2.734 N/A GLU 195.A N ASP 191.A O no hydrogen 2.929 N/A LEU 196.A N VAL 192.A O no hydrogen 2.897 N/A GLN 197.A N GLN 193.A O no hydrogen 3.199 N/A ALA 198.A N MET 194.A O no hydrogen 2.896 N/A GLY 199.A N GLU 195.A O no hydrogen 3.034 N/A GLY 199.A N LEU 196.A O no hydrogen 3.303 N/A ILE 200.A N GLN 197.A O no hydrogen 3.461 N/A HIS 202.A N GLY 199.A O no hydrogen 2.660 N/A HIS 202.A ND1 GLN 177.A OE1 no hydrogen 3.134 N/A ILE 203.A N ILE 200.A O no hydrogen 3.360 N/A VAL 204.A N LEU 178.A O no hydrogen 3.043 N/A VAL 206.A N PRO 243.A O no hydrogen 3.349 N/A HIS 207.A N PRO 180.A O no hydrogen 2.968 N/A HIS 207.A NE2 GLU 33.A OE1 no hydrogen 2.634 N/A VAL 208.A N LEU 245.A O no hydrogen 2.786 N/A LYS 209.A NZ ASP 181.A OD2 no hydrogen 3.277 N/A LYS 209.A NZ ASN 184.A OD1 no hydrogen 2.983 N/A LYS 209.A NZ PHE 216.A O no hydrogen 3.078 N/A THR 211.A N ASP 210.A OD1 no hydrogen 2.994 N/A THR 211.A OG1 GLY 183.A O no hydrogen 2.675 N/A LYS 212.A N VAL 215.A O no hydrogen 2.976 N/A VAL 215.A N LYS 212.A O no hydrogen 2.764 N/A GLY 222.A N ASP 210.A OD2 no hydrogen 2.920 N/A GLU 223.A N PRO 220.A O no hydrogen 2.958 N/A GLY 224.A N ASP 210.A OD2 no hydrogen 3.022 N/A VAL 225.A N THR 211.A O no hydrogen 2.761 N/A VAL 226.A N ASP 210.A OD1 no hydrogen 3.089 N/A ARG 230.A N ASP 227.A OD1 no hydrogen 3.422 N/A CYS 231.A N ASP 227.A O no hydrogen 3.033 N/A CYS 231.A SG ASP 227.A O no hydrogen 3.344 N/A PHE 232.A N PHE 228.A O no hydrogen 2.882 N/A GLU 233.A N GLU 229.A O no hydrogen 2.995 N/A THR 234.A N ARG 230.A O no hydrogen 2.991 N/A THR 234.A OG1 GLN 193.A OE1 no hydrogen 2.570 N/A THR 234.A OG1 ARG 230.A O no hydrogen 2.981 N/A LEU 235.A N CYS 231.A O no hydrogen 3.074 N/A LYS 236.A N PHE 232.A O no hydrogen 2.853 N/A GLN 237.A N GLU 233.A O no hydrogen 2.922 N/A SER 238.A N THR 234.A O no hydrogen 2.886 N/A SER 238.A OG THR 234.A O no hydrogen 2.679 N/A GLY 239.A N LYS 236.A O no hydrogen 3.119 N/A TYR 240.A N LEU 235.A O no hydrogen 2.936 N/A TYR 240.A OH PRO 243.A O no hydrogen 2.660 N/A CYS 241.A SG GLY 239.A O no hydrogen 4.013 N/A TYR 244.A N PRO 3.A O no hydrogen 3.002 N/A LEU 245.A N VAL 206.A O no hydrogen 2.861 N/A ILE 246.A N GLY 5.A O no hydrogen 2.935 N/A GLU 247.A N VAL 208.A O no hydrogen 2.975 N/A SER 250.A OG ALA 10.A O no hydrogen 3.005 N/A GLU 251.A N LYS 9.A O no hydrogen 3.068 N/A ALA 253.A N SER 250.A O no hydrogen 3.177 N/A GLU 259.A N ASP 255.A O no hydrogen 3.318 N/A VAL 260.A N PRO 256.A O no hydrogen 3.009 N/A ALA 261.A N ALA 257.A O no hydrogen 2.923 N/A LYS 262.A N ALA 258.A O no hydrogen 3.199 N/A LYS 262.A NZ GLU 259.A OE2 no hydrogen 3.503 N/A ALA 263.A N GLU 259.A O no hydrogen 2.968 N/A ARG 264.A N VAL 260.A O no hydrogen 2.788 N/A ARG 264.A NE ASP 265.A OD1 no hydrogen 3.214 N/A ARG 264.A NH1 LEU 27.A O no hydrogen 2.724 N/A ARG 264.A NH2 ASP 265.A OD1 no hydrogen 3.414 N/A ARG 264.A NH2 ASP 265.A OD2 no hydrogen 3.512 N/A ASP 265.A N ALA 261.A O no hydrogen 3.116 N/A TRP 266.A N LYS 262.A O no hydrogen 3.103 N/A VAL 267.A N ALA 263.A O no hydrogen 2.962 N/A LYS 268.A N ARG 264.A O no hydrogen 2.910 N/A ALA 269.A N ASP 265.A O no hydrogen 3.156 N/A ARG 270.A N VAL 267.A O no hydrogen 3.102 N/A ARG 270.A NH1 TRP 266.A O no hydrogen 2.889 N/A MET 271.A N VAL 267.A O no hydrogen 3.043 N/A ALA 272.A N LYS 268.A O no hydrogen 2.865 N/A LYS 273.A N ALA 269.A O no hydrogen 3.137 N/A LYS 273.A NZ GLU 229.A OE1 no hydrogen 2.970 N/A LYS 273.A NZ GLU 229.A OE2 no hydrogen 3.194 N/A ALA 274.A N ARG 270.A O no hydrogen 3.074 N/A GLY 275.A N ALA 272.A O no hydrogen 3.352 N/A MET 276.A N MET 271.A O no hydrogen 2.871 N/A