Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3nib_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N LYS 61.A O no hydrogen 3.237 N/A ILE 5.A N ALA 82.A O no hydrogen 2.874 N/A ARG 6.A N VAL 63.A O no hydrogen 2.640 N/A ARG 6.A NE LEU 172.A O no hydrogen 2.883 N/A ARG 6.A NH1 MET 2.A O no hydrogen 2.726 N/A ARG 6.A NH1 GLY 4.A O no hydrogen 3.084 N/A ARG 6.A NH2 MET 2.A O no hydrogen 2.740 N/A ARG 6.A NH2 LEU 172.A O no hydrogen 3.139 N/A ARG 6.A NH2 ASP 173.A O no hydrogen 2.763 N/A TRP 7.A N LYS 85.A O no hydrogen 3.154 N/A TRP 7.A NE1 THR 83.A OG1 no hydrogen 2.923 N/A ILE 8.A N VAL 65.A O no hydrogen 2.723 N/A ALA 9.A N LEU 87.A O no hydrogen 2.866 N/A SER 10.A N THR 67.A O no hydrogen 3.350 N/A SER 10.A OG TYR 11.A O no hydrogen 2.737 N/A TYR 11.A OH GLY 127.A O no hydrogen 2.601 N/A ALA 14.A N TYR 11.A O no hydrogen 3.244 N/A ASN 16.A ND2 ILE 8.A O no hydrogen 3.384 N/A TRP 18.A NE1 CYS 190.A O no hydrogen 3.028 N/A LEU 19.A N GLY 15.A O no hydrogen 3.082 N/A ARG 20.A N ASN 16.A O no hydrogen 2.978 N/A ARG 20.A NE SER 42.A OG no hydrogen 2.658 N/A ARG 20.A NH2 SER 42.A O no hydrogen 2.919 N/A CYS 21.A N THR 17.A O no hydrogen 2.892 N/A MET 22.A N TRP 18.A O no hydrogen 3.136 N/A LEU 23.A N LEU 19.A O no hydrogen 2.811 N/A ALA 24.A N ARG 20.A O no hydrogen 2.989 N/A ALA 25.A N CYS 21.A O no hydrogen 2.901 N/A TYR 26.A N MET 22.A O no hydrogen 2.809 N/A ILE 27.A N LEU 23.A O no hydrogen 3.039 N/A THR 28.A N ALA 24.A O no hydrogen 2.839 N/A THR 28.A OG1 ALA 24.A O no hydrogen 2.944 N/A GLY 29.A N ALA 25.A O no hydrogen 3.004 N/A LYS 30.A N THR 28.A OG1 no hydrogen 3.017 N/A GLN 33.A N ASP 37.A OD2 no hydrogen 2.577 N/A GLN 33.A NE2 ALA 31.A O no hydrogen 3.206 N/A THR 34.A N ASP 37.A OD2 no hydrogen 2.856 N/A GLU 39.A N TRP 35.A O no hydrogen 3.156 N/A THR 40.A N LYS 36.A O no hydrogen 3.320 N/A THR 40.A N ASP 37.A O no hydrogen 3.023 N/A THR 40.A OG1 ASP 37.A O no hydrogen 2.952 N/A VAL 41.A N MET 38.A O no hydrogen 2.888 N/A SER 42.A N MET 38.A O no hydrogen 2.839 N/A LEU 43.A N LEU 64.A O no hydrogen 2.801 N/A LEU 45.A N LYS 66.A O no hydrogen 2.900 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.804 N/A MET 48.A N GLU 44.A O no hydrogen 2.905 N/A LEU 49.A N LEU 45.A O no hydrogen 2.901 N/A HIS 50.A N GLU 46.A O no hydrogen 2.891 N/A LEU 51.A N MET 48.A O no hydrogen 2.723 N/A GLY 52.A N LEU 49.A O no hydrogen 2.908 N/A ASP 53.A N MET 48.A O no hydrogen 2.830 N/A MET 54.A N ASP 53.A OD1 no hydrogen 2.786 N/A VAL 63.A N GLY 4.A O no hydrogen 2.966 N/A VAL 65.A N ARG 6.A O no hydrogen 2.861 N/A LYS 66.A N LEU 43.A O no hydrogen 2.632 N/A LYS 66.A NZ GLU 46.A OE1 no hydrogen 3.067 N/A THR 67.A N ILE 8.A O no hydrogen 3.239 N/A THR 67.A OG1 GLU 46.A OE2 no hydrogen 2.672 N/A HIS 68.A N GLU 46.A OE2 no hydrogen 2.844 N/A HIS 68.A ND1 SER 10.A O no hydrogen 2.761 N/A LEU 69.A N THR 67.A OG1 no hydrogen 3.102 N/A LYS 70.A N GLY 125.A O no hydrogen 2.619 N/A LYS 70.A NZ ALA 124.A O no hydrogen 3.143 N/A VAL 73.A N LYS 70.A O no hydrogen 3.124 N/A LEU 76.A N VAL 73.A O no hydrogen 3.048 N/A LEU 78.A N VAL 75.A O no hydrogen 3.088 N/A TYR 79.A N LEU 76.A O no hydrogen 2.893 N/A TYR 79.A OH PRO 55.A O no hydrogen 2.692 N/A SER 80.A N GLY 77.A O no hydrogen 3.128 N/A SER 80.A OG GLY 77.A O no hydrogen 3.410 N/A THR 83.A OG1 TYR 79.A O no hydrogen 2.535 N/A ALA 84.A N ILE 5.A O no hydrogen 2.895 N/A LYS 85.A N ILE 5.A O no hydrogen 3.202 N/A LYS 85.A NZ ASP 148.A OD2 no hydrogen 2.887 N/A VAL 86.A N ASP 148.A O no hydrogen 2.755 N/A LEU 87.A N TRP 7.A O no hydrogen 2.945 N/A TYR 88.A N LEU 150.A O no hydrogen 2.748 N/A TYR 88.A OH ASN 132.A OD1 no hydrogen 2.823 N/A LEU 89.A N ALA 9.A O no hydrogen 2.966 N/A VAL 90.A N MET 152.A O no hydrogen 2.802 N/A ARG 91.A NH1 LYS 13.A O no hydrogen 2.773 N/A ASN 92.A N GLU 155.A OE2 no hydrogen 2.866 N/A ARG 94.A N ASN 92.A OD1 no hydrogen 2.975 N/A ILE 96.A N ASN 92.A O no hydrogen 3.048 N/A LEU 97.A N PRO 93.A O no hydrogen 2.827 N/A LEU 98.A N ARG 94.A O no hydrogen 2.994 N/A SER 99.A N ASP 95.A O no hydrogen 2.960 N/A ALA 100.A N ILE 96.A O no hydrogen 2.849 N/A MET 101.A N LEU 97.A O no hydrogen 3.449 N/A MET 101.A N LEU 98.A O no hydrogen 3.145 N/A SER 107.A N ASP 103.A O no hydrogen 3.307 N/A SER 107.A OG ASP 103.A O no hydrogen 3.382 N/A ARG 108.A N MET 104.A O no hydrogen 2.902 N/A ARG 108.A NH1 LEU 209.A O no hydrogen 2.699 N/A ARG 108.A NH1 ASP 212.A OD1 no hydrogen 3.077 N/A ARG 108.A NH1 ASP 212.A OD2 no hydrogen 2.789 N/A ARG 108.A NH2 ASP 212.A OD2 no hydrogen 2.660 N/A THR 109.A N GLU 105.A O no hydrogen 3.335 N/A PHE 110.A N SER 106.A O no hydrogen 3.247 N/A ALA 111.A N SER 107.A O no hydrogen 2.614 N/A ARG 112.A N ARG 108.A O no hydrogen 2.599 N/A ASP 113.A N THR 109.A O no hydrogen 2.828 N/A PHE 114.A N PHE 110.A O no hydrogen 2.869 N/A ILE 115.A N ALA 111.A O no hydrogen 2.967 N/A ALA 116.A N ARG 112.A O no hydrogen 2.870 N/A ASN 117.A N ASP 113.A O no hydrogen 2.878 N/A ASN 117.A N PHE 114.A O no hydrogen 2.997 N/A GLU 118.A N ILE 115.A O no hydrogen 3.329 N/A GLY 119.A N PHE 114.A O no hydrogen 2.940 N/A LEU 120.A N TYR 11.A OH no hydrogen 2.925 N/A GLY 123.A N ARG 121.A O no hydrogen 3.025 N/A SER 128.A N GLU 131.A OE1 no hydrogen 3.147 N/A SER 128.A OG GLU 131.A OE1 no hydrogen 3.021 N/A TRP 129.A N GLU 118.A O no hydrogen 2.880 N/A GLU 131.A N SER 128.A OG no hydrogen 3.422 N/A ASN 132.A N SER 128.A O no hydrogen 2.906 N/A ASN 132.A ND2 HIS 68.A O no hydrogen 2.957 N/A ASN 132.A ND2 LEU 126.A O no hydrogen 2.936 N/A VAL 133.A N TRP 129.A O no hydrogen 2.922 N/A ARG 134.A N PRO 130.A O no hydrogen 2.756 N/A ARG 134.A NH1 GLU 226.A OE2 no hydrogen 2.607 N/A ILE 135.A N GLU 131.A O no hydrogen 2.978 N/A TRP 136.A N ASN 132.A O no hydrogen 3.251 N/A TRP 136.A NE1 LEU 69.A O no hydrogen 2.839 N/A THR 137.A N VAL 133.A O no hydrogen 3.038 N/A THR 137.A OG1 VAL 133.A O no hydrogen 2.894 N/A GLU 138.A N ARG 134.A O no hydrogen 2.963 N/A SER 139.A N ILE 135.A O no hydrogen 2.789 N/A SER 140.A OG TRP 136.A O no hydrogen 2.611 N/A ASP 142.A N SER 139.A O no hydrogen 2.962 N/A ARG 143.A N SER 139.A O no hydrogen 2.947 N/A PHE 144.A N SER 140.A O no hydrogen 2.720 N/A ASN 146.A ND2 GLU 81.A O no hydrogen 2.994 N/A ALA 147.A N PHE 144.A O no hydrogen 3.078 N/A ASP 148.A N ALA 84.A O no hydrogen 3.076 N/A LEU 150.A N VAL 86.A O no hydrogen 2.747 N/A MET 152.A N TYR 88.A O no hydrogen 2.795 N/A ARG 153.A NE ASP 156.A OD2 no hydrogen 3.002 N/A ARG 153.A NH1 TYR 234.A O no hydrogen 2.926 N/A ARG 153.A NH2 ASP 156.A OD1 no hydrogen 2.938 N/A TYR 154.A N VAL 90.A O no hydrogen 2.632 N/A GLU 155.A N GLU 155.A OE1 no hydrogen 2.837 N/A LEU 157.A N ARG 153.A O no hydrogen 3.036 N/A LYS 158.A N TYR 154.A O no hydrogen 2.857 N/A LYS 158.A NZ TYR 154.A OH no hydrogen 2.930 N/A GLY 159.A N GLU 155.A O no hydrogen 2.974 N/A GLY 159.A N ASP 156.A O no hydrogen 3.230 N/A ASP 160.A N ASP 156.A O no hydrogen 3.215 N/A ARG 164.A N ASP 160.A O no hydrogen 2.831 N/A ARG 164.A NE GLU 167.A OE1 no hydrogen 3.165 N/A ARG 164.A NE GLU 167.A OE2 no hydrogen 2.959 N/A ARG 164.A NH2 GLU 167.A OE2 no hydrogen 2.610 N/A PHE 165.A N PRO 161.A O no hydrogen 2.703 N/A SER 166.A N VAL 162.A O no hydrogen 3.163 N/A SER 166.A OG VAL 162.A O no hydrogen 2.659 N/A SER 166.A OG ALA 163.A O no hydrogen 2.668 N/A GLU 167.A N ALA 163.A O no hydrogen 3.120 N/A ILE 168.A N ARG 164.A O no hydrogen 2.858 N/A VAL 169.A N PHE 165.A O no hydrogen 2.763 N/A GLU 170.A N SER 166.A O no hydrogen 2.861 N/A PHE 171.A N GLU 167.A O no hydrogen 2.800 N/A LEU 172.A N ILE 168.A O no hydrogen 2.848 N/A ASP 173.A N GLU 170.A O no hydrogen 3.063 N/A ASP 182.A N ASP 179.A OD1 no hydrogen 3.244 N/A ILE 183.A N ASP 179.A O no hydrogen 3.133 N/A ARG 184.A N ILE 180.A O no hydrogen 2.922 N/A ARG 185.A N GLU 181.A O no hydrogen 3.013 N/A ARG 185.A NH1 ALA 25.A O no hydrogen 2.988 N/A ARG 185.A NH2 TYR 26.A O no hydrogen 3.459 N/A ALA 186.A N ASP 182.A O no hydrogen 2.780 N/A VAL 187.A N ILE 183.A O no hydrogen 2.837 N/A ALA 188.A N ARG 184.A O no hydrogen 2.918 N/A ALA 189.A N ARG 185.A O no hydrogen 2.898 N/A CYS 190.A N VAL 187.A O no hydrogen 3.140 N/A CYS 190.A SG ALA 186.A O no hydrogen 3.568 N/A ARG 194.A N THR 191.A OG1 no hydrogen 3.225 N/A ARG 194.A NE ALA 189.A O no hydrogen 2.838 N/A ARG 194.A NH2 PRO 32.A O no hydrogen 2.359 N/A MET 195.A N THR 191.A O no hydrogen 2.680 N/A ARG 196.A N LEU 192.A O no hydrogen 2.809 N/A ARG 196.A NE GLU 193.A OE2 no hydrogen 2.925 N/A ARG 196.A NH1 GLU 193.A OE2 no hydrogen 2.783 N/A GLU 197.A N GLU 193.A O no hydrogen 2.781 N/A LEU 198.A N ARG 194.A O no hydrogen 2.916 N/A GLU 199.A N MET 195.A O no hydrogen 3.218 N/A LYS 200.A N ARG 196.A O no hydrogen 2.959 N/A ARG 201.A N GLU 197.A O no hydrogen 2.499 N/A SER 202.A N GLU 199.A O no hydrogen 2.921 N/A SER 205.A OG SER 207.A OG no hydrogen 3.390 N/A LEU 206.A N GLU 214.A OE1 no hydrogen 2.704 N/A SER 207.A OG SER 205.A OG no hydrogen 3.390 N/A GLY 210.A N SER 207.A O no hydrogen 2.587 N/A ILE 213.A N GLY 210.A O no hydrogen 2.804 N/A GLU 214.A N GLY 210.A O no hydrogen 3.049 N/A SER 215.A N GLU 211.A O no hydrogen 2.772 N/A ALA 216.A N ASP 212.A O no hydrogen 3.173 N/A TYR 217.A N ILE 213.A O no hydrogen 2.931 N/A GLN 218.A N GLU 214.A O no hydrogen 2.864 N/A GLN 218.A NE2 GLU 214.A OE2 no hydrogen 3.091 N/A GLU 219.A N SER 215.A O no hydrogen 2.977 N/A LEU 220.A N ALA 216.A O no hydrogen 3.125 N/A LEU 221.A N TYR 217.A O no hydrogen 2.737 N/A HIS 222.A N GLN 218.A O no hydrogen 3.069 N/A HIS 222.A ND1 GLN 218.A O no hydrogen 3.259 N/A GLY 223.A N LEU 220.A O no hydrogen 3.219 N/A SER 225.A OG LEU 220.A O no hydrogen 3.561 N/A ALA 228.A N SER 225.A OG no hydrogen 3.336 N/A HIS 229.A N SER 225.A O no hydrogen 2.880 N/A TYR 230.A N GLU 226.A O no hydrogen 3.002 N/A TYR 230.A OH GLU 138.A OE1 no hydrogen 2.719 N/A ALA 231.A N PHE 227.A O no hydrogen 3.026 N/A LYS 232.A N ALA 228.A O no hydrogen 3.207 N/A GLN 233.A N HIS 229.A O no hydrogen 3.148 N/A TYR 234.A N TYR 230.A O no hydrogen 3.129 N/A TYR 234.A N ALA 231.A O no hydrogen 3.104 N/A GLY 235.A N LYS 232.A O no hydrogen 3.118 N/A TYR 236.A N ALA 231.A O no hydrogen 2.919 N/A TYR 236.A OH VAL 90.A O no hydrogen 3.336 N/A TYR 236.A OH GLU 155.A OE1 no hydrogen 2.583 N/A GLY 238.A N HIS 222.A NE2 no hydrogen 3.339 N/A