Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jue_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 7.A N HIS 3.A O no hydrogen 2.932 N/A VAL 8.A N VAL 4.A O no hydrogen 2.768 N/A GLN 9.A N VAL 5.A O no hydrogen 3.059 N/A GLN 9.A NE2 PRO 25.A O no hydrogen 2.559 N/A SER 10.A N GLN 7.A O no hydrogen 3.194 N/A SER 10.A OG GLN 7.A O no hydrogen 2.823 N/A VAL 11.A N VAL 8.A O no hydrogen 3.436 N/A ASN 14.A N VAL 11.A O no hydrogen 2.878 N/A ASN 14.A ND2 VAL 8.A O no hydrogen 2.835 N/A CYS 17.A N GLU 22.A O no hydrogen 2.635 N/A CYS 18.A N THR 35.A O no hydrogen 2.977 N/A CYS 18.A SG ASN 79.A OD1 no hydrogen 3.324 N/A CYS 18.A SG TYR 111.A OH no hydrogen 3.640 N/A ARG 21.A N CYS 17.A O no hydrogen 2.898 N/A ALA 24.A N ALA 15.A O no hydrogen 3.002 N/A TRP 27.A N LEU 36.A O no hydrogen 2.891 N/A ALA 28.A N ARG 55.A O no hydrogen 2.772 N/A SER 29.A N VAL 34.A O no hydrogen 2.686 N/A SER 29.A OG ASN 31.A OD1 no hydrogen 3.057 N/A SER 29.A OG SER 52.A OG no hydrogen 2.644 N/A ILE 30.A N LYS 53.A O no hydrogen 2.875 N/A ASN 31.A ND2 PHE 51.A O no hydrogen 3.097 N/A GLY 33.A N SER 29.A O no hydrogen 2.840 N/A VAL 34.A N SER 29.A O no hydrogen 3.109 N/A THR 35.A OG1 ASN 14.A O no hydrogen 2.912 N/A THR 35.A OG1 ASN 75.A OD1 no hydrogen 2.895 N/A LEU 36.A N TRP 27.A O no hydrogen 2.877 N/A SER 41.A N CYS 37.A O no hydrogen 2.897 N/A SER 41.A OG CYS 37.A O no hydrogen 2.775 N/A SER 41.A OG ILE 38.A O no hydrogen 2.862 N/A GLY 42.A N ILE 38.A O no hydrogen 3.076 N/A ILE 43.A N GLN 39.A O no hydrogen 3.196 N/A HIS 44.A N CYS 40.A O no hydrogen 2.859 N/A HIS 44.A ND1 CYS 40.A O no hydrogen 3.037 N/A ARG 45.A N SER 41.A O no hydrogen 3.039 N/A ARG 45.A N GLY 42.A O no hydrogen 3.174 N/A SER 46.A N ILE 43.A O no hydrogen 2.840 N/A LEU 47.A N HIS 44.A O no hydrogen 3.093 N/A PHE 51.A N GLY 48.A O no hydrogen 3.057 N/A SER 52.A N GLY 48.A O no hydrogen 3.080 N/A SER 52.A OG SER 29.A OG no hydrogen 2.644 N/A LYS 53.A N ASN 31.A OD1 no hydrogen 2.817 N/A LYS 53.A NZ VAL 49.A O no hydrogen 3.318 N/A LYS 53.A NZ GLN 181.A O no hydrogen 3.039 N/A ARG 55.A N ALA 28.A O no hydrogen 2.827 N/A ARG 55.A NH1 VAL 54.A O no hydrogen 2.690 N/A SER 56.A N ASP 60.A OD2 no hydrogen 2.766 N/A LEU 57.A N GLU 26.A O no hydrogen 2.894 N/A THR 58.A N SER 56.A OG no hydrogen 3.099 N/A THR 58.A OG1 SER 56.A OG no hydrogen 3.342 N/A LEU 59.A N SER 56.A OG no hydrogen 2.702 N/A TRP 62.A NE1 SER 56.A O no hydrogen 2.902 N/A LEU 66.A N GLU 63.A O no hydrogen 2.849 N/A VAL 67.A N GLU 63.A O no hydrogen 3.167 N/A LYS 68.A N PRO 64.A O no hydrogen 3.041 N/A LEU 69.A N GLU 65.A O no hydrogen 2.836 N/A MET 70.A N.A LEU 66.A O no hydrogen 2.946 N/A MET 70.A N.B LEU 66.A O no hydrogen 2.952 N/A CYS 71.A N VAL 67.A O no hydrogen 3.015 N/A CYS 71.A SG VAL 67.A O no hydrogen 3.332 N/A GLU 72.A N LYS 68.A O no hydrogen 3.122 N/A GLU 72.A N LEU 69.A O no hydrogen 3.075 N/A LEU 73.A N MET 70.A O.A no hydrogen 3.312 N/A LEU 73.A N MET 70.A O.B no hydrogen 3.319 N/A GLY 74.A N GLY 33.A O no hydrogen 2.958 N/A ASN 75.A N ASN 14.A OD1 no hydrogen 2.885 N/A ILE 78.A N GLY 74.A O no hydrogen 2.929 N/A ASN 79.A N ASN 75.A O no hydrogen 2.826 N/A ASN 79.A ND2 CYS 18.A O no hydrogen 3.308 N/A GLN 80.A N VAL 76.A O no hydrogen 3.007 N/A ILE 81.A N ILE 78.A O no hydrogen 3.068 N/A TYR 82.A N ILE 78.A O no hydrogen 2.742 N/A GLU 83.A N ASN 79.A O no hydrogen 2.943 N/A ALA 84.A N ILE 81.A O no hydrogen 3.315 N/A ARG 85.A N PHE 116.A O no hydrogen 2.860 N/A VAL 86.A N GLU 83.A O no hydrogen 3.295 N/A MET 89.A N ARG 85.A O no hydrogen 2.695 N/A ALA 90.A N GLU 87.A O no hydrogen 3.172 N/A VAL 91.A N VAL 86.A O no hydrogen 3.369 N/A LYS 93.A NZ CYS 18.A O no hydrogen 2.839 N/A LYS 93.A NZ GLU 83.A OE1 no hydrogen 2.696 N/A LYS 93.A NZ GLU 83.A OE2 no hydrogen 3.046 N/A CYS 98.A N GLY 95.A O no hydrogen 3.133 N/A GLN 101.A N SER 99.A OG no hydrogen 3.084 N/A GLN 101.A N GLN 101.A OE1 no hydrogen 3.092 N/A LYS 103.A N SER 99.A O no hydrogen 3.063 N/A LYS 103.A NZ GLN 39.A OE1 no hydrogen 2.851 N/A LYS 103.A NZ PRO 96.A O no hydrogen 2.684 N/A GLU 104.A N ARG 100.A O no hydrogen 2.779 N/A ALA 105.A N GLN 101.A O no hydrogen 2.981 N/A TRP 106.A N GLU 102.A O no hydrogen 3.119 N/A TRP 106.A NE1 GLU 83.A OE2 no hydrogen 3.004 N/A ILE 107.A N LYS 103.A O no hydrogen 2.832 N/A HIS 108.A N GLU 104.A O no hydrogen 2.946 N/A ALA 109.A N ALA 105.A O no hydrogen 3.026 N/A LYS 110.A N TRP 106.A O no hydrogen 2.820 N/A LYS 110.A NZ ASP 19.A OD1 no hydrogen 2.784 N/A LYS 110.A NZ ASN 79.A OD1 no hydrogen 2.823 N/A LYS 110.A NZ GLU 83.A OE2 no hydrogen 2.743 N/A LYS 110.A NZ TYR 111.A OH no hydrogen 3.422 N/A TYR 111.A N ILE 107.A O no hydrogen 2.952 N/A TYR 111.A OH ASP 19.A OD1 no hydrogen 2.576 N/A VAL 112.A N HIS 108.A O no hydrogen 3.111 N/A GLU 113.A N HIS 108.A O no hydrogen 2.905 N/A LYS 114.A NZ TYR 111.A O no hydrogen 2.611 N/A LYS 115.A N ALA 109.A O no hydrogen 2.821 N/A LEU 117.A N LYS 114.A O no hydrogen 3.516 N/A THR 118.A OG1 LEU 120.A O no hydrogen 2.705 N/A LEU 127.A N HIS 123.A O no hydrogen 2.933 N/A LEU 128.A N PRO 124.A O no hydrogen 2.902 N/A PHE 129.A N GLY 125.A O no hydrogen 2.885 N/A ARG 130.A N ALA 126.A O no hydrogen 2.887 N/A ALA 131.A N LEU 127.A O no hydrogen 2.858 N/A SER 132.A N LEU 128.A O no hydrogen 2.995 N/A SER 132.A N PHE 129.A O no hydrogen 3.337 N/A SER 132.A OG LEU 128.A O no hydrogen 2.687 N/A GLY 133.A N ARG 130.A O no hydrogen 3.265 N/A SER 137.A N ALA 131.A O no hydrogen 2.896 N/A SER 137.A OG THR 140.A OG1 no hydrogen 2.874 N/A THR 140.A N SER 137.A OG no hydrogen 3.392 N/A THR 140.A OG1 SER 137.A OG no hydrogen 2.874 N/A MET 141.A N SER 137.A O no hydrogen 2.908 N/A ALA 142.A N LEU 138.A O no hydrogen 2.957 N/A ASP 143.A N PRO 139.A O no hydrogen 3.001 N/A ALA 144.A N THR 140.A O no hydrogen 2.863 N/A LEU 145.A N MET 141.A O no hydrogen 2.957 N/A ALA 146.A N ALA 142.A O no hydrogen 2.964 N/A HIS 147.A N ASP 143.A O no hydrogen 3.112 N/A GLY 148.A N LEU 145.A O no hydrogen 2.940 N/A ALA 149.A N ALA 144.A O no hydrogen 3.049 N/A ASN 152.A N ASP 150.A OD1 no hydrogen 2.751 N/A TRP 153.A N ASP 150.A O no hydrogen 3.163 N/A ASN 155.A N ALA 161.A O no hydrogen 2.782 N/A ASN 155.A ND2 ASP 159.A OD1 no hydrogen 2.802 N/A ASN 160.A N ASN 155.A O no hydrogen 3.027 N/A ALA 161.A N ASP 159.A OD1 no hydrogen 3.309 N/A ILE 165.A N THR 162.A OG1 no hydrogen 3.197 N/A GLN 166.A N THR 162.A O no hydrogen 2.991 N/A ALA 167.A N PRO 163.A O no hydrogen 2.787 N/A THR 168.A N LEU 164.A O no hydrogen 2.858 N/A THR 168.A OG1 LEU 164.A O no hydrogen 2.727 N/A ALA 169.A N ILE 165.A O no hydrogen 2.900 N/A ALA 170.A N GLN 166.A O no hydrogen 3.019 N/A ASN 171.A N THR 168.A O no hydrogen 2.964 N/A SER 172.A N ALA 167.A O no hydrogen 3.057 N/A CYS 176.A N SER 172.A O no hydrogen 2.968 N/A CYS 176.A SG SER 172.A O no hydrogen 3.378 N/A GLU 177.A N LEU 173.A O no hydrogen 2.873 N/A PHE 178.A N LEU 174.A O no hydrogen 2.797 N/A LEU 179.A N ALA 175.A O no hydrogen 2.986 N/A LEU 180.A N CYS 176.A O no hydrogen 2.940 N/A GLN 181.A N GLU 177.A O no hydrogen 2.894 N/A GLN 181.A NE2 GLU 177.A OE2 no hydrogen 2.720 N/A ASN 182.A N PHE 178.A O no hydrogen 3.153 N/A ASN 182.A N LEU 179.A O no hydrogen 3.124 N/A ASN 182.A ND2 ASN 31.A O no hydrogen 3.041 N/A ASN 182.A ND2 PHE 178.A O no hydrogen 2.955 N/A GLY 183.A N LEU 180.A O no hydrogen 3.167 N/A ALA 184.A N LEU 179.A O no hydrogen 3.008 N/A ASN 187.A N ASN 185.A OD1 no hydrogen 2.882 N/A GLN 188.A N ASN 185.A O no hydrogen 3.200 N/A GLN 188.A NE2 ASN 152.A O no hydrogen 3.279 N/A ASP 190.A N ARG 194.A O no hydrogen 3.013 N/A SER 191.A N ASP 159.A O no hydrogen 3.270 N/A SER 191.A OG ASP 159.A O no hydrogen 3.453 N/A ALA 192.A N ASP 190.A OD1 no hydrogen 2.731 N/A GLY 193.A N ASP 190.A O no hydrogen 3.137 N/A ARG 194.A N ASP 190.A OD1 no hydrogen 3.109 N/A ARG 194.A NE ASP 190.A OD2 no hydrogen 3.052 N/A ARG 194.A NH2 ASP 190.A OD2 no hydrogen 3.182 N/A GLY 195.A N HIS 198.A ND1 no hydrogen 3.189 N/A HIS 198.A NE2 ARG 227.A O no hydrogen 3.075 N/A HIS 199.A N GLY 195.A O no hydrogen 3.023 N/A HIS 199.A NE2 ASP 190.A OD2 no hydrogen 2.867 N/A ALA 200.A N PRO 196.A O no hydrogen 2.869 N/A THR 201.A N LEU 197.A O no hydrogen 3.016 N/A THR 201.A OG1 PRO 229.A O no hydrogen 3.558 N/A ILE 202.A N HIS 198.A O no hydrogen 2.861 N/A LEU 203.A N HIS 199.A O no hydrogen 3.013 N/A GLY 204.A N THR 201.A O no hydrogen 3.238 N/A HIS 205.A N ALA 200.A O no hydrogen 2.800 N/A ALA 209.A N HIS 205.A O no hydrogen 2.975 N/A CYS 210.A N THR 206.A O no hydrogen 2.940 N/A LEU 211.A N GLY 207.A O no hydrogen 2.903 N/A PHE 212.A N LEU 208.A O no hydrogen 2.911 N/A LEU 213.A N ALA 209.A O no hydrogen 3.016 N/A LYS 214.A N CYS 210.A O no hydrogen 3.020 N/A LYS 214.A NZ GLU 63.A OE2 no hydrogen 2.750 N/A ARG 215.A N LEU 211.A O no hydrogen 3.201 N/A ARG 215.A N PHE 212.A O no hydrogen 3.134 N/A ARG 215.A NH1 GLU 177.A OE1 no hydrogen 2.913 N/A GLY 216.A N LEU 213.A O no hydrogen 3.238 N/A ALA 217.A N PHE 212.A O no hydrogen 2.949 N/A GLY 220.A N ASP 218.A OD1 no hydrogen 2.905 N/A ARG 222.A NH1 GLY 226.A O no hydrogen 2.824 N/A ASP 223.A N ARG 227.A O no hydrogen 2.869 N/A SER 224.A N ALA 192.A O no hydrogen 2.873 N/A SER 224.A OG ALA 192.A O no hydrogen 3.075 N/A GLU 225.A N ASP 223.A OD1 no hydrogen 2.833 N/A GLY 226.A N ASP 223.A O no hydrogen 2.991 N/A ARG 227.A N ASP 223.A OD1 no hydrogen 2.897 N/A ARG 227.A NE ASP 223.A OD2 no hydrogen 2.784 N/A ARG 227.A NH2 ASP 223.A OD2 no hydrogen 2.740 N/A THR 231.A N ASP 228.A OD1 no hydrogen 2.922 N/A THR 231.A OG1 ASP 228.A OD1 no hydrogen 2.701 N/A ILE 232.A N ASP 228.A O no hydrogen 3.398 N/A ALA 233.A N PRO 229.A O no hydrogen 2.922 N/A MET 234.A N LEU 230.A O no hydrogen 2.896 N/A GLU 235.A N THR 231.A O no hydrogen 2.913 N/A THR 236.A N ILE 232.A O no hydrogen 2.884 N/A THR 236.A OG1 ILE 232.A O no hydrogen 2.981 N/A THR 236.A OG1 ALA 233.A O no hydrogen 3.280 N/A ALA 237.A N MET 234.A O no hydrogen 2.900 N/A ASN 238.A N ALA 233.A O no hydrogen 2.979 N/A ILE 241.A N ASN 238.A OD1 no hydrogen 3.236 N/A VAL 242.A N ASN 238.A O no hydrogen 3.043 N/A THR 243.A N ALA 239.A O no hydrogen 2.967 N/A THR 243.A OG1 ALA 239.A O no hydrogen 2.815 N/A LEU 244.A N ASP 240.A O no hydrogen 2.919 N/A LEU 245.A N ILE 241.A O no hydrogen 2.909 N/A ARG 246.A N VAL 242.A O no hydrogen 2.916 N/A LEU 247.A N THR 243.A O no hydrogen 2.846 N/A ALA 248.A N LEU 244.A O no hydrogen 2.744 N/A LYS 249.A N LEU 245.A O no hydrogen 3.064 N/A MET 250.A N ARG 246.A O no hydrogen 3.340 N/A