Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xiu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 7.A N PRO 4.A O no hydrogen 3.136 N/A ILE 8.A N PRO 4.A O no hydrogen 3.329 N/A LEU 9.A N VAL 5.A O no hydrogen 2.830 N/A GLU 10.A N GLU 6.A O no hydrogen 2.802 N/A ALA 11.A N GLN 7.A O no hydrogen 2.804 N/A GLU 12.A N ILE 8.A O no hydrogen 3.093 N/A LEU 13.A N LEU 9.A O no hydrogen 2.971 N/A ALA 14.A N GLU 10.A O no hydrogen 2.885 N/A VAL 15.A N GLU 12.A O no hydrogen 2.681 N/A ASP 16.A N LEU 13.A O no hydrogen 3.268 N/A THR 21.A OG1 ASP 20.A OD2 no hydrogen 2.995 N/A ILE 23.A N GLY 94.A O no hydrogen 3.186 N/A ALA 25.A N HIS 96.A O no hydrogen 3.061 N/A GLN 26.A NE2 SER 101.A OG no hydrogen 2.716 N/A THR 31.A N ASP 28.A OD2 no hydrogen 3.228 N/A THR 31.A OG1 ASP 28.A OD1 no hydrogen 2.926 N/A ASN 32.A N ASP 28.A O no hydrogen 3.197 N/A ILE 33.A N PRO 29.A O no hydrogen 2.803 N/A CYS 34.A N VAL 30.A O no hydrogen 2.845 N/A CYS 34.A SG VAL 30.A O no hydrogen 3.251 N/A GLN 35.A N THR 31.A O no hydrogen 2.725 N/A ALA 36.A N ASN 32.A O no hydrogen 3.013 N/A ALA 37.A N ILE 33.A O no hydrogen 3.096 N/A ASP 38.A N CYS 34.A O no hydrogen 2.961 N/A LYS 39.A N GLN 35.A O no hydrogen 2.968 N/A GLN 40.A N ALA 36.A O no hydrogen 2.627 N/A LEU 41.A N ALA 37.A O no hydrogen 2.827 N/A LEU 41.A N ASP 38.A O no hydrogen 2.987 N/A LEU 44.A N GLN 40.A O no hydrogen 2.722 N/A VAL 45.A N LEU 41.A O no hydrogen 3.208 N/A VAL 45.A N PHE 42.A O no hydrogen 3.204 N/A GLU 46.A N PHE 42.A O no hydrogen 3.513 N/A TRP 47.A N THR 43.A O no hydrogen 2.966 N/A ALA 48.A N LEU 44.A O no hydrogen 2.957 N/A LYS 49.A N VAL 45.A O no hydrogen 2.829 N/A ARG 50.A N TRP 47.A O no hydrogen 3.036 N/A ILE 51.A N ALA 48.A O no hydrogen 2.928 N/A HIS 53.A ND1 GLU 56.A OE1 no hydrogen 3.093 N/A HIS 53.A NE2 ASP 2.A O no hydrogen 3.032 N/A PHE 54.A N ILE 51.A O no hydrogen 2.956 N/A GLU 56.A N HIS 53.A O no hydrogen 2.944 N/A LEU 57.A N PHE 54.A O no hydrogen 3.052 N/A GLN 62.A N PRO 58.A O no hydrogen 2.934 N/A GLN 62.A NE2 THR 55.A O no hydrogen 3.204 N/A GLN 62.A NE2 LEU 57.A O no hydrogen 2.789 N/A VAL 63.A N LEU 59.A O no hydrogen 3.108 N/A ILE 64.A N GLU 60.A O no hydrogen 3.085 N/A LEU 65.A N ASP 61.A O no hydrogen 2.929 N/A ARG 67.A N VAL 63.A O no hydrogen 2.780 N/A ALA 68.A N ILE 64.A O no hydrogen 2.765 N/A TRP 70.A N LEU 66.A O no hydrogen 3.148 N/A ASN 71.A ND2 GLY 194.A O no hydrogen 2.918 N/A LEU 73.A N GLY 69.A O no hydrogen 2.880 N/A LEU 74.A N TRP 70.A O no hydrogen 2.723 N/A ILE 75.A N ASN 71.A O no hydrogen 2.950 N/A ALA 76.A N GLU 72.A O no hydrogen 2.922 N/A GLY 77.A N LEU 73.A O no hydrogen 3.118 N/A PHE 78.A N LEU 74.A O no hydrogen 3.017 N/A SER 79.A N ILE 75.A O no hydrogen 2.857 N/A SER 79.A OG ILE 75.A O no hydrogen 2.958 N/A HIS 80.A N ALA 76.A O no hydrogen 2.982 N/A HIS 80.A NE2 MET 127.A O no hydrogen 2.777 N/A ARG 81.A N GLY 77.A O no hydrogen 3.054 N/A ARG 81.A NE LEU 90.A O no hydrogen 3.160 N/A ARG 81.A NH2 LEU 90.A O no hydrogen 3.316 N/A SER 82.A N SER 79.A O no hydrogen 2.951 N/A SER 82.A OG PHE 78.A O no hydrogen 2.731 N/A ILE 83.A N HIS 80.A O no hydrogen 3.345 N/A ALA 85.A N SER 82.A O no hydrogen 2.988 N/A LYS 86.A NZ MET 84.A O no hydrogen 2.988 N/A ILE 89.A N VAL 97.A O no hydrogen 2.876 N/A LEU 90.A N SER 82.A OG no hydrogen 2.913 N/A LEU 91.A N LEU 95.A O no hydrogen 2.811 N/A GLY 94.A N LEU 91.A O no hydrogen 2.860 N/A HIS 96.A N ILE 23.A O no hydrogen 2.814 N/A HIS 96.A ND1 ASP 24.A OD1 no hydrogen 3.318 N/A VAL 97.A N ILE 89.A O no hydrogen 2.785 N/A HIS 98.A ND1 SER 100.A OG no hydrogen 3.159 N/A ARG 99.A N ASP 87.A O no hydrogen 2.907 N/A ARG 99.A NE ASP 112.A OD2 no hydrogen 2.504 N/A ARG 99.A NH2 ASP 112.A OD1 no hydrogen 2.810 N/A ARG 99.A NH2 ASP 112.A OD2 no hydrogen 3.106 N/A SER 100.A N HIS 98.A ND1 no hydrogen 2.852 N/A SER 100.A OG HIS 98.A ND1 no hydrogen 3.159 N/A ALA 102.A N HIS 98.A O no hydrogen 2.980 N/A HIS 103.A N ARG 99.A O no hydrogen 3.102 N/A HIS 103.A ND1 ARG 99.A O no hydrogen 3.337 N/A GLN 104.A N SER 100.A O no hydrogen 3.048 N/A ALA 105.A N SER 101.A O no hydrogen 2.831 N/A GLY 106.A N HIS 103.A O no hydrogen 2.955 N/A VAL 107.A N ALA 102.A O no hydrogen 2.984 N/A PHE 111.A N VAL 107.A O no hydrogen 3.149 N/A ASP 112.A N GLY 108.A O no hydrogen 2.902 N/A ARG 113.A N THR 109.A O no hydrogen 3.410 N/A ARG 113.A NE GLU 117.A OE2 no hydrogen 2.725 N/A ARG 113.A NH2 GLU 117.A OE1 no hydrogen 3.465 N/A ARG 113.A NH2 SER 192.A OG no hydrogen 2.850 N/A VAL 114.A N ILE 110.A O no hydrogen 2.984 N/A LEU 115.A N PHE 111.A O no hydrogen 3.118 N/A THR 116.A N ASP 112.A O no hydrogen 2.786 N/A THR 116.A OG1 ASP 112.A O no hydrogen 2.973 N/A GLU 117.A N ARG 113.A O no hydrogen 2.939 N/A LEU 118.A N VAL 114.A O no hydrogen 3.001 N/A VAL 119.A N VAL 114.A O no hydrogen 2.988 N/A ALA 120.A N LEU 115.A O no hydrogen 2.736 N/A LYS 121.A N LEU 118.A O no hydrogen 3.168 N/A MET 122.A N LEU 118.A O no hydrogen 2.831 N/A ARG 123.A N VAL 119.A O no hydrogen 2.790 N/A ARG 123.A NH1 ILE 83.A O no hydrogen 2.821 N/A ASP 124.A N ALA 120.A O no hydrogen 2.785 N/A MET 125.A N LYS 121.A O no hydrogen 3.238 N/A LYS 126.A N ARG 123.A O no hydrogen 2.876 N/A MET 127.A N MET 122.A O no hydrogen 2.980 N/A ASP 128.A N GLU 131.A OE2 no hydrogen 2.843 N/A LYS 129.A NZ ASP 16.A OD1 no hydrogen 3.224 N/A GLU 131.A N ASP 128.A OD2 no hydrogen 2.829 N/A LEU 132.A N ASP 128.A O no hydrogen 2.932 N/A GLY 133.A N LYS 129.A O no hydrogen 2.918 N/A CYS 134.A N THR 130.A O no hydrogen 2.990 N/A CYS 134.A SG THR 130.A O no hydrogen 3.384 N/A LEU 135.A N GLU 131.A O no hydrogen 2.816 N/A ARG 136.A N LEU 132.A O no hydrogen 2.782 N/A ARG 136.A NE LEU 73.A O no hydrogen 3.280 N/A ARG 136.A NH1 GLU 12.A OE2 no hydrogen 2.471 N/A ARG 136.A NH2 LEU 73.A O no hydrogen 3.153 N/A ALA 137.A N GLY 133.A O no hydrogen 2.789 N/A VAL 138.A N CYS 134.A O no hydrogen 2.791 N/A VAL 139.A N LEU 135.A O no hydrogen 3.002 N/A LEU 140.A N ARG 136.A O no hydrogen 2.753 N/A PHE 141.A N ALA 137.A O no hydrogen 2.768 N/A ASP 144.A N ASN 142.A OD1 no hydrogen 2.975 N/A ALA 145.A N ASN 142.A O no hydrogen 3.148 N/A THR 149.A N ASP 61.A OD1 no hydrogen 2.680 N/A ALA 150.A N ASP 61.A OD2 no hydrogen 2.826 N/A VAL 154.A N ALA 150.A O no hydrogen 3.054 N/A GLU 155.A N VAL 151.A O no hydrogen 2.905 N/A GLN 156.A N GLN 152.A O no hydrogen 2.914 N/A LEU 157.A N GLU 153.A O no hydrogen 2.960 N/A ARG 158.A N VAL 154.A O no hydrogen 2.824 N/A ARG 158.A NE VAL 138.A O no hydrogen 3.237 N/A ARG 158.A NE PHE 141.A O no hydrogen 2.760 N/A ARG 158.A NH2 VAL 138.A O no hydrogen 2.659 N/A GLU 159.A N GLU 155.A O no hydrogen 3.052 N/A LYS 160.A N GLN 156.A O no hydrogen 2.921 N/A VAL 161.A N LEU 157.A O no hydrogen 3.059 N/A TYR 162.A N ARG 158.A O no hydrogen 2.999 N/A ALA 163.A N GLU 159.A O no hydrogen 2.974 N/A SER 164.A N LYS 160.A O no hydrogen 2.861 N/A SER 164.A OG MET 3.A O no hydrogen 2.597 N/A SER 164.A OG LYS 160.A O no hydrogen 3.104 N/A LEU 165.A N VAL 161.A O no hydrogen 2.881 N/A GLU 166.A N TYR 162.A O no hydrogen 2.830 N/A GLU 167.A N ALA 163.A O no hydrogen 2.961 N/A TYR 168.A N SER 164.A O no hydrogen 2.760 N/A TYR 168.A OH ASP 128.A OD1 no hydrogen 2.786 N/A TYR 168.A OH ASP 128.A OD2 no hydrogen 3.428 N/A THR 169.A N LEU 165.A O no hydrogen 2.920 N/A LYS 170.A N GLU 166.A O no hydrogen 2.857 N/A LYS 170.A NZ GLU 166.A OE2 no hydrogen 3.296 N/A SER 171.A N GLU 167.A O no hydrogen 3.216 N/A SER 171.A N TYR 168.A O no hydrogen 3.173 N/A SER 171.A OG GLU 167.A O no hydrogen 3.373 N/A SER 171.A OG TYR 168.A O no hydrogen 3.114 N/A ARG 172.A N TYR 168.A O no hydrogen 2.736 N/A TYR 173.A N THR 169.A O no hydrogen 3.069 N/A TYR 173.A OH ASP 128.A OD1 no hydrogen 2.619 N/A GLU 176.A N TYR 173.A O no hydrogen 2.763 N/A ARG 179.A N GLU 176.A O no hydrogen 3.067 N/A ARG 179.A NE GLU 131.A OE1 no hydrogen 2.556 N/A ARG 179.A NE GLU 131.A OE2 no hydrogen 3.357 N/A ARG 179.A NH1 MET 125.A O no hydrogen 3.083 N/A ARG 179.A NH1 GLU 176.A OE1 no hydrogen 3.084 N/A ARG 179.A NH2 MET 125.A O no hydrogen 2.790 N/A ARG 179.A NH2 GLU 131.A OE2 no hydrogen 2.966 N/A LYS 182.A N GLY 178.A O no hydrogen 3.075 N/A LEU 183.A N ARG 179.A O no hydrogen 2.900 N/A LEU 184.A N PHE 180.A O no hydrogen 3.067 N/A LEU 185.A N ALA 181.A O no hydrogen 2.630 N/A ARG 186.A N LEU 183.A O no hydrogen 3.082 N/A ARG 186.A NH1 GLU 117.A O no hydrogen 2.581 N/A LEU 187.A N LEU 184.A O no hydrogen 2.908 N/A LEU 190.A N ARG 186.A O no hydrogen 3.094 N/A ARG 191.A N LEU 187.A O no hydrogen 2.860 N/A ARG 191.A NH1 GLU 72.A OE1 no hydrogen 3.157 N/A ARG 191.A NH1 GLU 72.A OE2 no hydrogen 3.449 N/A SER 192.A N PRO 188.A O no hydrogen 2.896 N/A ILE 193.A N ALA 189.A O no hydrogen 2.812 N/A GLY 194.A N LEU 190.A O no hydrogen 2.858 N/A LEU 195.A N ARG 191.A O no hydrogen 3.072 N/A LYS 196.A N SER 192.A O no hydrogen 3.054 N/A LYS 196.A NZ GLU 199.A OE1 no hydrogen 3.058 N/A CYS 197.A N ILE 193.A O no hydrogen 2.851 N/A CYS 197.A SG ILE 193.A O no hydrogen 3.192 N/A LEU 198.A N GLY 194.A O no hydrogen 3.204 N/A GLU 199.A N LEU 195.A O no hydrogen 3.094 N/A HIS 200.A N LYS 196.A O no hydrogen 3.088 N/A HIS 200.A ND1 LYS 196.A O no hydrogen 3.073 N/A LEU 201.A N CYS 197.A O no hydrogen 2.868 N/A PHE 202.A N LEU 198.A O no hydrogen 2.893 N/A PHE 203.A N GLU 199.A O no hydrogen 3.137 N/A PHE 204.A N HIS 200.A O no hydrogen 2.935 N/A LYS 205.A N LEU 201.A O no hydrogen 2.896 N/A LEU 206.A N PHE 202.A O no hydrogen 3.120 N/A LEU 206.A N PHE 203.A O no hydrogen 3.205 N/A ILE 207.A N PHE 203.A O no hydrogen 2.940 N/A GLY 208.A N PHE 204.A O no hydrogen 3.084 N/A GLN 210.A N ILE 207.A O no hydrogen 3.326 N/A MET 217.A N ASP 213.A O no hydrogen 2.844 N/A GLU 218.A N THR 214.A O no hydrogen 3.017 N/A MET 219.A N PHE 215.A O no hydrogen 2.971 N/A MET 219.A N LEU 216.A O no hydrogen 3.097 N/A LEU 220.A N LEU 216.A O no hydrogen 3.290 N/A GLU 221.A N GLU 218.A O no hydrogen 2.934 N/A