Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cqj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ASP 30.A OD2 no hydrogen 2.811 N/A GLY 5.A N TYR 244.A O no hydrogen 2.801 N/A ILE 6.A N PHE 31.A O no hydrogen 3.152 N/A TYR 7.A N ILE 246.A O no hydrogen 3.111 N/A GLU 8.A N GLU 33.A O no hydrogen 2.963 N/A LYS 9.A NZ ASP 37.A OD2 no hydrogen 2.751 N/A ALA 10.A N TYR 7.A O no hydrogen 2.940 N/A LEU 11.A N GLU 8.A O no hydrogen 3.160 N/A TRP 17.A NE1 GLU 15.A OE1 no hydrogen 2.743 N/A ARG 20.A N CYS 16.A O no hydrogen 3.084 N/A ARG 20.A NH2 PRO 12.A O no hydrogen 3.142 N/A LEU 21.A N TRP 17.A O no hydrogen 2.983 N/A GLN 22.A N LEU 18.A O no hydrogen 2.953 N/A LEU 23.A N GLU 19.A O no hydrogen 2.965 N/A ALA 24.A N ARG 20.A O no hydrogen 3.068 N/A LYS 25.A N LEU 21.A O no hydrogen 2.979 N/A LYS 25.A NZ THR 63.A O no hydrogen 2.701 N/A THR 26.A N GLN 22.A O no hydrogen 2.986 N/A THR 26.A OG1 GLN 22.A O no hydrogen 3.141 N/A LEU 27.A N LEU 23.A O no hydrogen 2.918 N/A GLY 28.A N LYS 25.A O no hydrogen 2.945 N/A PHE 29.A N ALA 24.A O no hydrogen 2.839 N/A ASP 30.A N LEU 4.A O no hydrogen 2.786 N/A VAL 32.A N ARG 66.A O no hydrogen 2.994 N/A GLU 33.A N ILE 6.A O no hydrogen 3.146 N/A MET 34.A N SER 69.A O no hydrogen 3.060 N/A SER 35.A N GLU 8.A OE1 no hydrogen 2.816 N/A VAL 36.A N CYS 71.A O no hydrogen 2.828 N/A THR 39.A N ASP 37.A OD1 no hydrogen 3.070 N/A THR 39.A OG1 ASP 37.A OD1 no hydrogen 2.776 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.901 N/A ARG 42.A N THR 39.A OG1 no hydrogen 3.230 N/A ARG 42.A NE GLU 8.A OE2 no hydrogen 3.061 N/A ARG 42.A NH1 ASP 37.A OD2 no hydrogen 2.854 N/A ARG 42.A NH2 GLU 251.A OE2 no hydrogen 3.485 N/A LEU 43.A N THR 39.A O no hydrogen 2.979 N/A SER 44.A N ASP 40.A O no hydrogen 2.978 N/A SER 44.A OG GLU 41.A O no hydrogen 2.716 N/A ARG 45.A N ARG 42.A O no hydrogen 3.092 N/A ARG 45.A NE GLU 15.A OE1 no hydrogen 3.224 N/A ARG 45.A NE GLU 15.A OE2 no hydrogen 3.091 N/A ARG 45.A NH1 GLU 8.A OE1 no hydrogen 2.703 N/A ARG 45.A NH1 GLU 8.A OE2 no hydrogen 3.070 N/A ARG 45.A NH2 GLU 8.A OE2 no hydrogen 2.647 N/A ARG 45.A NH2 GLU 15.A OE1 no hydrogen 3.030 N/A ARG 45.A NH2 GLU 15.A OE2 no hydrogen 3.560 N/A LEU 46.A N LEU 43.A O no hydrogen 3.079 N/A ASP 47.A N SER 44.A O no hydrogen 2.872 N/A TRP 48.A N ARG 45.A O no hydrogen 3.047 N/A SER 49.A N GLN 52.A OE1 no hydrogen 2.945 N/A GLN 52.A N SER 49.A OG no hydrogen 3.087 N/A ARG 53.A N SER 49.A O no hydrogen 2.928 N/A ARG 53.A NE TRP 48.A O no hydrogen 2.737 N/A ARG 53.A NH1 ASP 104.A OD2 no hydrogen 2.752 N/A ARG 53.A NH2 LEU 46.A O no hydrogen 2.961 N/A ARG 53.A NH2 TRP 48.A O no hydrogen 3.061 N/A LEU 54.A N ARG 50.A O no hydrogen 2.813 N/A ALA 55.A N GLU 51.A O no hydrogen 2.946 N/A LEU 56.A N GLN 52.A O no hydrogen 3.170 N/A VAL 57.A N ARG 53.A O no hydrogen 3.180 N/A ASN 58.A N LEU 54.A O no hydrogen 2.903 N/A ASN 58.A ND2 LEU 54.A O no hydrogen 3.617 N/A ALA 59.A N ALA 55.A O no hydrogen 3.012 N/A ILE 60.A N LEU 56.A O no hydrogen 3.039 N/A VAL 61.A N VAL 57.A O no hydrogen 2.999 N/A GLU 62.A N ASN 58.A O no hydrogen 2.884 N/A THR 63.A N ALA 59.A O no hydrogen 3.032 N/A THR 63.A OG1 ALA 59.A O no hydrogen 2.829 N/A THR 63.A OG1 ILE 60.A O no hydrogen 3.517 N/A GLY 64.A N ILE 60.A O no hydrogen 2.874 N/A VAL 65.A N THR 63.A OG1 no hydrogen 3.144 N/A ARG 66.A N ASP 30.A O no hydrogen 3.303 N/A SER 69.A OG GLU 33.A OE2 no hydrogen 2.719 N/A MET 70.A N VAL 109.A O no hydrogen 2.987 N/A CYS 71.A N MET 34.A O no hydrogen 2.710 N/A CYS 71.A SG TYR 7.A OH no hydrogen 3.530 N/A CYS 71.A SG GLN 111.A OE1 no hydrogen 3.847 N/A LEU 72.A N GLN 111.A O no hydrogen 2.903 N/A ALA 74.A N VAL 36.A O no hydrogen 3.149 N/A HIS 75.A NE2 GLY 91.A O no hydrogen 2.693 N/A ARG 76.A N SER 73.A O no hydrogen 2.981 N/A ARG 76.A NE TYR 115.A OH no hydrogen 3.144 N/A ARG 76.A NH1 TYR 115.A OH no hydrogen 2.959 N/A ARG 76.A NH2 GLU 38.A OE2 no hydrogen 3.054 N/A ARG 77.A N ALA 74.A O no hydrogen 2.999 N/A ARG 77.A NH1 GLU 38.A O no hydrogen 2.704 N/A ARG 77.A NH1 ASP 40.A OD1 no hydrogen 2.842 N/A ARG 77.A NH2 ASP 40.A OD1 no hydrogen 3.471 N/A PHE 78.A N ALA 74.A O no hydrogen 3.018 N/A SER 82.A N PRO 79.A O no hydrogen 3.292 N/A SER 82.A OG ASP 84.A O no hydrogen 3.240 N/A ASP 84.A N SER 82.A OG no hydrogen 3.047 N/A ALA 86.A N ASP 84.A OD1 no hydrogen 3.145 N/A ARG 88.A N ASP 84.A O no hydrogen 2.936 N/A ARG 88.A NE LEU 80.A O no hydrogen 2.846 N/A ARG 88.A NE ARG 129.A O no hydrogen 3.452 N/A ARG 88.A NH2 ARG 129.A O no hydrogen 2.761 N/A ALA 89.A N ASP 85.A O no hydrogen 2.974 N/A GLN 90.A N ALA 86.A O no hydrogen 3.085 N/A GLN 90.A NE2 ALA 86.A O no hydrogen 3.598 N/A GLY 91.A N VAL 87.A O no hydrogen 3.075 N/A LEU 92.A N ARG 88.A O no hydrogen 3.033 N/A GLU 93.A N ALA 89.A O no hydrogen 3.001 N/A ILE 94.A N GLN 90.A O no hydrogen 3.065 N/A MET 95.A N GLY 91.A O no hydrogen 3.062 N/A ARG 96.A N LEU 92.A O no hydrogen 3.142 N/A ARG 96.A NE GLU 93.A OE1 no hydrogen 3.153 N/A ARG 96.A NE GLU 93.A OE2 no hydrogen 2.940 N/A ARG 96.A NH2 GLU 93.A OE2 no hydrogen 2.584 N/A LYS 97.A N GLU 93.A O no hydrogen 2.832 N/A LYS 97.A NZ ASP 47.A OD1 no hydrogen 2.755 N/A ALA 98.A N ILE 94.A O no hydrogen 2.726 N/A ILE 99.A N MET 95.A O no hydrogen 2.929 N/A GLN 100.A N ARG 96.A O no hydrogen 3.009 N/A PHE 101.A N LYS 97.A O no hydrogen 2.886 N/A ALA 102.A N ALA 98.A O no hydrogen 2.884 N/A GLN 103.A N ILE 99.A O no hydrogen 2.921 N/A ASP 104.A N GLN 100.A O no hydrogen 2.924 N/A VAL 105.A N PHE 101.A O no hydrogen 2.973 N/A ILE 107.A N ALA 102.A O no hydrogen 3.012 N/A ARG 108.A N PRO 68.A O no hydrogen 2.777 N/A VAL 109.A N PRO 68.A O no hydrogen 2.884 N/A ILE 110.A N THR 147.A O no hydrogen 2.826 N/A GLN 111.A N MET 70.A O no hydrogen 2.772 N/A LEU 112.A N ALA 149.A O no hydrogen 2.973 N/A TYR 115.A OH ASP 154.A OD1 no hydrogen 2.667 N/A VAL 117.A N ASP 116.A OD1 no hydrogen 2.936 N/A TYR 119.A OH GLU 38.A OE1 no hydrogen 2.701 N/A ASN 123.A N THR 126.A OG1 no hydrogen 3.011 N/A ASN 123.A ND2 GLU 83.A OE2 no hydrogen 3.042 N/A THR 126.A N ASN 123.A OD1 no hydrogen 3.047 N/A THR 126.A OG1 ASP 116.A OD2 no hydrogen 2.669 N/A THR 126.A OG1 ASN 123.A O no hydrogen 2.913 N/A ARG 127.A N ASN 123.A O no hydrogen 3.158 N/A ARG 127.A NH2 ASN 124.A OD1 no hydrogen 2.594 N/A ARG 128.A N ASN 124.A O no hydrogen 3.101 N/A ARG 129.A N GLU 125.A O no hydrogen 3.157 N/A ARG 129.A NH1 ASP 85.A OD1 no hydrogen 2.969 N/A ARG 129.A NH1 ASP 85.A OD2 no hydrogen 2.935 N/A ARG 129.A NH2 SER 82.A O no hydrogen 2.871 N/A ARG 129.A NH2 ASP 85.A OD2 no hydrogen 2.721 N/A PHE 130.A N THR 126.A O no hydrogen 2.873 N/A ARG 131.A N ARG 127.A O no hydrogen 2.919 N/A ASP 132.A N ARG 128.A O no hydrogen 3.089 N/A GLY 133.A N ARG 129.A O no hydrogen 2.851 N/A LEU 134.A N PHE 130.A O no hydrogen 2.816 N/A LYS 135.A N ARG 131.A O no hydrogen 3.044 N/A GLU 136.A N ASP 132.A O no hydrogen 3.009 N/A SER 137.A N GLY 133.A O no hydrogen 2.879 N/A SER 137.A OG GLY 133.A O no hydrogen 2.701 N/A VAL 138.A N LEU 134.A O no hydrogen 2.968 N/A GLU 139.A N LYS 135.A O no hydrogen 3.054 N/A MET 140.A N GLU 136.A O no hydrogen 3.137 N/A ALA 141.A N SER 137.A O no hydrogen 2.911 N/A SER 142.A N VAL 138.A O no hydrogen 2.788 N/A SER 142.A OG VAL 138.A O no hydrogen 2.738 N/A ARG 143.A N GLU 139.A O no hydrogen 3.159 N/A ALA 144.A N MET 140.A O no hydrogen 3.091 N/A VAL 146.A N ALA 141.A O no hydrogen 3.108 N/A LEU 148.A N TRP 175.A O no hydrogen 2.786 N/A ALA 149.A N ILE 110.A O no hydrogen 2.944 N/A MET 150.A N GLN 177.A O no hydrogen 2.975 N/A GLU 151.A N LEU 112.A O no hydrogen 3.076 N/A MET 153.A N MET 158.A O no hydrogen 2.711 N/A TYR 155.A OH ASP 116.A OD1 no hydrogen 2.712 N/A MET 158.A N TYR 155.A O no hydrogen 3.182 N/A SER 162.A N GLU 195.A OE1 no hydrogen 2.788 N/A SER 162.A OG GLU 195.A OE1 no hydrogen 3.173 N/A SER 162.A OG GLU 195.A OE2 no hydrogen 2.684 N/A LYS 163.A N SER 160.A OG no hydrogen 3.290 N/A LYS 163.A NZ PRO 156.A O no hydrogen 2.525 N/A LYS 163.A NZ ASN 159.A OD1 no hydrogen 2.979 N/A ALA 164.A N SER 160.A O no hydrogen 3.292 N/A LEU 165.A N ILE 161.A O no hydrogen 2.801 N/A GLY 166.A N SER 162.A O no hydrogen 2.954 N/A TYR 167.A N LYS 163.A O no hydrogen 3.226 N/A ALA 168.A N ALA 164.A O no hydrogen 2.872 N/A HIS 169.A N LEU 165.A O no hydrogen 2.903 N/A TYR 170.A N GLY 166.A O no hydrogen 3.028 N/A LEU 171.A N TYR 167.A O no hydrogen 2.906 N/A ASN 172.A N ALA 168.A O no hydrogen 2.932 N/A ASN 173.A ND2 SER 142.A OG no hydrogen 2.719 N/A TRP 175.A N ASN 173.A OD1 no hydrogen 2.747 N/A PHE 176.A N ASN 173.A O no hydrogen 3.164 N/A GLN 177.A N LEU 148.A O no hydrogen 2.778 N/A GLN 177.A NE2 PRO 174.A O no hydrogen 2.998 N/A LEU 178.A N HIS 202.A O no hydrogen 2.861 N/A TYR 179.A N MET 150.A O no hydrogen 2.923 N/A TYR 179.A OH GLU 33.A OE2 no hydrogen 2.651 N/A ILE 182.A N HIS 207.A O no hydrogen 3.116 N/A ASN 184.A N ASP 181.A OD1 no hydrogen 2.832 N/A ASN 184.A ND2 ILE 152.A O no hydrogen 2.763 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 3.212 N/A SER 186.A N GLY 183.A O no hydrogen 3.150 N/A SER 186.A OG ILE 182.A O no hydrogen 2.847 N/A ALA 187.A N ASN 184.A O no hydrogen 3.355 N/A ASN 190.A ND2 ASN 159.A O no hydrogen 2.899 N/A ASN 190.A ND2 LEU 185.A O no hydrogen 2.812 N/A MET 194.A N ASP 191.A OD1 no hydrogen 3.352 N/A GLU 195.A N ASP 191.A O no hydrogen 2.951 N/A LEU 196.A N VAL 192.A O no hydrogen 2.912 N/A GLN 197.A N GLN 193.A O no hydrogen 3.317 N/A ALA 198.A N MET 194.A O no hydrogen 2.868 N/A GLY 199.A N GLU 195.A O no hydrogen 3.024 N/A ILE 200.A N GLN 197.A O no hydrogen 3.341 N/A HIS 202.A N GLY 199.A O no hydrogen 2.741 N/A HIS 202.A ND1 GLN 177.A OE1 no hydrogen 2.857 N/A ILE 203.A N ILE 200.A O no hydrogen 3.285 N/A VAL 204.A N LEU 178.A O no hydrogen 3.041 N/A VAL 206.A N PRO 243.A O no hydrogen 3.323 N/A HIS 207.A N PRO 180.A O no hydrogen 2.899 N/A HIS 207.A ND1 GLU 151.A OE2 no hydrogen 3.074 N/A HIS 207.A NE2 GLU 33.A OE1 no hydrogen 2.577 N/A VAL 208.A N LEU 245.A O no hydrogen 2.699 N/A LYS 209.A NZ ASP 181.A OD2 no hydrogen 3.286 N/A LYS 209.A NZ ASN 184.A OD1 no hydrogen 2.723 N/A LYS 209.A NZ PHE 216.A O no hydrogen 3.075 N/A THR 211.A N ASP 210.A OD1 no hydrogen 3.021 N/A THR 211.A OG1 GLY 183.A O no hydrogen 2.684 N/A LYS 212.A N VAL 215.A O no hydrogen 2.946 N/A VAL 215.A N LYS 212.A O no hydrogen 2.734 N/A GLY 222.A N ASP 210.A OD2 no hydrogen 2.888 N/A GLU 223.A N PRO 220.A O no hydrogen 2.901 N/A GLY 224.A N ASP 210.A OD2 no hydrogen 2.997 N/A VAL 225.A N THR 211.A O no hydrogen 2.960 N/A VAL 226.A N ASP 210.A OD1 no hydrogen 3.104 N/A ARG 230.A N ASP 227.A OD1 no hydrogen 3.331 N/A ARG 230.A NH1 ASP 227.A OD2 no hydrogen 3.337 N/A CYS 231.A N ASP 227.A O no hydrogen 3.053 N/A CYS 231.A SG ASP 227.A O no hydrogen 3.236 N/A PHE 232.A N PHE 228.A O no hydrogen 2.910 N/A GLU 233.A N GLU 229.A O no hydrogen 2.922 N/A THR 234.A N ARG 230.A O no hydrogen 2.838 N/A THR 234.A OG1 GLN 193.A OE1 no hydrogen 2.675 N/A THR 234.A OG1 ARG 230.A O no hydrogen 3.060 N/A LEU 235.A N CYS 231.A O no hydrogen 2.981 N/A LYS 236.A N PHE 232.A O no hydrogen 2.904 N/A GLN 237.A N GLU 233.A O no hydrogen 2.869 N/A SER 238.A N THR 234.A O no hydrogen 2.891 N/A SER 238.A OG THR 234.A O no hydrogen 2.689 N/A GLY 239.A N LYS 236.A O no hydrogen 3.207 N/A TYR 240.A N LEU 235.A O no hydrogen 2.992 N/A TYR 240.A OH PRO 243.A O no hydrogen 2.722 N/A CYS 241.A SG.A GLY 239.A O no hydrogen 3.852 N/A CYS 241.A SG.B GLY 239.A O no hydrogen 3.777 N/A TYR 244.A N PRO 3.A O no hydrogen 3.040 N/A LEU 245.A N VAL 206.A O no hydrogen 2.835 N/A ILE 246.A N GLY 5.A O no hydrogen 2.929 N/A GLU 247.A N VAL 208.A O no hydrogen 3.041 N/A SER 250.A OG ALA 10.A O no hydrogen 2.776 N/A GLU 251.A N LYS 9.A O no hydrogen 3.121 N/A ALA 253.A N SER 250.A O no hydrogen 3.059 N/A ALA 258.A N ASP 255.A OD1 no hydrogen 3.347 N/A GLU 259.A N ASP 255.A O no hydrogen 3.174 N/A VAL 260.A N PRO 256.A O no hydrogen 3.000 N/A ALA 261.A N ALA 257.A O no hydrogen 2.948 N/A LYS 262.A N ALA 258.A O no hydrogen 3.264 N/A ALA 263.A N GLU 259.A O no hydrogen 3.103 N/A ARG 264.A N VAL 260.A O no hydrogen 2.849 N/A ARG 264.A NE ASP 265.A OD1 no hydrogen 3.075 N/A ARG 264.A NH1 LEU 27.A O no hydrogen 2.786 N/A ARG 264.A NH2 ASP 265.A OD1 no hydrogen 3.294 N/A ARG 264.A NH2 ASP 265.A OD2 no hydrogen 3.304 N/A ASP 265.A N ALA 261.A O no hydrogen 3.178 N/A TRP 266.A N LYS 262.A O no hydrogen 3.046 N/A VAL 267.A N ALA 263.A O no hydrogen 2.834 N/A LYS 268.A N ARG 264.A O no hydrogen 2.909 N/A ALA 269.A N ASP 265.A O no hydrogen 3.020 N/A ARG 270.A N TRP 266.A O no hydrogen 3.434 N/A ARG 270.A NH1 TRP 266.A O no hydrogen 3.141 N/A MET 271.A N VAL 267.A O no hydrogen 3.040 N/A ALA 272.A N LYS 268.A O no hydrogen 2.937 N/A LYS 273.A N ALA 269.A O no hydrogen 3.040 N/A LYS 273.A NZ GLU 229.A OE1 no hydrogen 2.809 N/A LYS 273.A NZ GLU 229.A OE2 no hydrogen 3.157 N/A ALA 274.A N ARG 270.A O no hydrogen 3.070 N/A GLY 275.A N ALA 272.A O no hydrogen 3.113 N/A MET 276.A N MET 271.A O no hydrogen 2.864 N/A