Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mml_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 7.A N LEU 15.A O no hydrogen 2.804 N/A HIS 7.A NE2 GLU 17.A OE2 no hydrogen 2.754 N/A TYR 9.A N ALA 13.A O no hydrogen 3.041 N/A LEU 14.A N VAL 51.A O no hydrogen 2.975 N/A LEU 15.A N HIS 7.A O no hydrogen 2.842 N/A LEU 16.A N VAL 49.A O no hydrogen 2.773 N/A GLU 17.A N THR 5.A O no hydrogen 3.059 N/A PHE 18.A N ARG 47.A O no hydrogen 2.867 N/A SER 20.A OG GLU 23.A OE2 no hydrogen 2.926 N/A THR 21.A OG1 ALA 46.A O no hydrogen 2.891 N/A THR 21.A OG1 GLU 163.A OE2 no hydrogen 3.155 N/A GLU 23.A N SER 20.A OG no hydrogen 3.320 N/A VAL 24.A N SER 20.A O no hydrogen 3.255 N/A LEU 25.A N THR 21.A O no hydrogen 2.909 N/A ALA 26.A N ALA 22.A O no hydrogen 3.116 N/A TRP 27.A N GLU 23.A O no hydrogen 3.039 N/A THR 28.A N VAL 24.A O no hydrogen 2.953 N/A THR 28.A OG1 VAL 24.A O no hydrogen 2.666 N/A GLU 29.A N LEU 25.A O no hydrogen 3.347 N/A THR 30.A N ALA 26.A O no hydrogen 3.208 N/A THR 30.A OG1 ALA 26.A O no hydrogen 2.894 N/A LEU 31.A N TRP 27.A O no hydrogen 2.899 N/A ARG 32.A N THR 28.A O no hydrogen 2.852 N/A GLU 33.A N GLU 29.A O no hydrogen 2.816 N/A ALA 34.A N THR 30.A O no hydrogen 3.005 N/A ALA 34.A N LEU 31.A O no hydrogen 3.262 N/A VAL 39.A N LEU 36.A O no hydrogen 3.436 N/A VAL 40.A N LYS 52.A O no hydrogen 2.736 N/A ASP 41.A N LYS 52.A O no hydrogen 3.405 N/A ILE 42.A N ASP 41.A OD1 no hydrogen 2.992 N/A VAL 43.A N LEU 50.A O no hydrogen 2.701 N/A ALA 45.A N THR 48.A O no hydrogen 2.913 N/A ARG 47.A NH1 ALA 46.A O no hydrogen 3.304 N/A ARG 47.A NH1 GLU 163.A OE2 no hydrogen 2.830 N/A ARG 47.A NH2 GLU 163.A OE2 no hydrogen 3.546 N/A VAL 49.A N LEU 16.A O no hydrogen 2.932 N/A LEU 50.A N VAL 43.A O no hydrogen 2.996 N/A VAL 51.A N LEU 14.A O no hydrogen 2.827 N/A LYS 52.A N ASP 41.A O no hydrogen 2.802 N/A LEU 53.A N GLN 12.A O no hydrogen 2.897 N/A ALA 54.A N GLY 38.A O no hydrogen 2.733 N/A TYR 58.A N GLY 55.A O no hydrogen 3.219 N/A GLN 59.A N PRO 56.A O no hydrogen 3.076 N/A GLN 59.A NE2 GLY 10.A O no hydrogen 2.951 N/A GLN 59.A NE2 ALA 13.A O no hydrogen 2.817 N/A THR 62.A N TYR 58.A O no hydrogen 2.961 N/A THR 62.A OG1 TYR 58.A O no hydrogen 2.550 N/A ARG 63.A N GLN 59.A O no hydrogen 3.067 N/A ARG 63.A NH1 VAL 6.A O no hydrogen 2.837 N/A ARG 63.A NH2 VAL 6.A O no hydrogen 2.965 N/A ARG 63.A NH2 ASN 8.A OD1 no hydrogen 2.759 N/A GLN 64.A N ALA 60.A O no hydrogen 3.039 N/A ARG 65.A N PRO 61.A O no hydrogen 3.033 N/A LEU 66.A N THR 62.A O no hydrogen 2.842 N/A GLY 67.A N ARG 63.A O no hydrogen 3.293 N/A GLY 67.A N GLN 64.A O no hydrogen 3.155 N/A LYS 68.A N ARG 65.A O no hydrogen 3.126 N/A LEU 69.A N LEU 66.A O no hydrogen 3.227 N/A ARG 70.A NH1 GLY 67.A O no hydrogen 2.661 N/A ARG 70.A NH2 GLY 67.A O no hydrogen 3.557 N/A VAL 71.A N SER 1.A O no hydrogen 3.460 N/A THR 77.A OG1 GLN 79.A O no hydrogen 3.391 N/A ASP 83.A N PRO 80.A O no hydrogen 3.164 N/A ASP 86.A N TRP 200.A O no hydrogen 2.866 N/A VAL 87.A N TRP 200.A O no hydrogen 3.309 N/A ILE 89.A N GLN 202.A O no hydrogen 2.802 N/A VAL 91.A N ARG 204.A O no hydrogen 2.747 N/A VAL 92.A N HIS 181.A O no hydrogen 2.842 N/A TYR 93.A OH HIS 115.A ND1 no hydrogen 2.701 N/A ASP 94.A N VAL 92.A O no hydrogen 3.013 N/A GLY 95.A N ILE 179.A O no hydrogen 3.158 N/A ASP 97.A N LEU 178.A O no hydrogen 2.927 N/A LEU 98.A N GLY 95.A O no hydrogen 3.347 N/A VAL 101.A N ASP 97.A O no hydrogen 2.811 N/A ALA 102.A N LEU 98.A O no hydrogen 3.060 N/A SER 103.A N HIS 99.A O no hydrogen 3.134 N/A SER 103.A OG HIS 99.A O no hydrogen 2.922 N/A LEU 104.A N GLU 100.A O no hydrogen 2.930 N/A THR 105.A N VAL 101.A O no hydrogen 2.816 N/A THR 105.A OG1 VAL 101.A O no hydrogen 2.806 N/A THR 105.A OG1 ALA 102.A O no hydrogen 3.273 N/A THR 107.A OG1 GLN 110.A OE1 no hydrogen 3.435 N/A GLN 110.A N THR 107.A OG1 no hydrogen 3.209 N/A VAL 111.A N THR 107.A O no hydrogen 3.079 N/A ILE 112.A N PRO 108.A O no hydrogen 3.142 N/A ALA 113.A N ALA 109.A O no hydrogen 3.068 N/A ALA 114.A N GLN 110.A O no hydrogen 2.879 N/A HIS 115.A N VAL 111.A O no hydrogen 2.962 N/A HIS 115.A ND1 TYR 93.A OH no hydrogen 2.701 N/A HIS 115.A NE2 SER 165.A OG no hydrogen 2.836 N/A THR 116.A N ILE 112.A O no hydrogen 2.972 N/A THR 116.A OG1 ILE 112.A O no hydrogen 2.735 N/A THR 116.A OG1 ALA 113.A O no hydrogen 3.365 N/A TRP 120.A N VAL 201.A O no hydrogen 2.770 N/A ARG 121.A N VAL 135.A O no hydrogen 2.629 N/A ARG 121.A NE ASP 136.A OD2 no hydrogen 3.323 N/A ARG 121.A NH2 ASP 136.A OD2 no hydrogen 2.824 N/A GLY 123.A N TYR 133.A O no hydrogen 2.885 N/A CYS 125.A SG LEU 196.A O no hydrogen 3.705 N/A GLY 126.A N PHE 131.A O no hydrogen 3.240 N/A ALA 128.A N GLY 126.A O no hydrogen 2.904 N/A PHE 131.A N ALA 128.A O no hydrogen 3.025 N/A TYR 133.A N PHE 124.A O no hydrogen 2.791 N/A LEU 134.A N SER 165.A O no hydrogen 2.845 N/A VAL 135.A N ARG 121.A O no hydrogen 2.709 N/A ARG 140.A N ASP 138.A OD1 no hydrogen 3.146 N/A ARG 140.A NE ASP 138.A OD1 no hydrogen 2.775 N/A ARG 140.A NE ASP 138.A OD2 no hydrogen 3.460 N/A ARG 140.A NH2 ASP 138.A OD2 no hydrogen 3.139 N/A LEU 141.A N ASP 138.A O no hydrogen 3.186 N/A GLN 142.A N ALA 139.A O no hydrogen 3.272 N/A ARG 146.A N GLY 175.A O no hydrogen 2.803 N/A ARG 146.A NE GLN 177.A OE1 no hydrogen 3.091 N/A ARG 146.A NH2 GLU 100.A OE1 no hydrogen 3.215 N/A ARG 150.A N GLY 174.A O no hydrogen 2.869 N/A ARG 150.A NH1 ASP 97.A OD1 no hydrogen 3.406 N/A ARG 150.A NH1 ASP 97.A OD2 no hydrogen 2.934 N/A ARG 150.A NH2 ASP 97.A OD1 no hydrogen 2.886 N/A VAL 153.A N SER 172.A O no hydrogen 2.804 N/A GLY 156.A N TYR 168.A O no hydrogen 2.771 N/A ALA 157.A N PRO 154.A O no hydrogen 3.220 N/A VAL 158.A N GLY 180.A O no hydrogen 2.784 N/A ALA 159.A N GLY 166.A O no hydrogen 2.868 N/A LEU 160.A N GLN 177.A O no hydrogen 2.743 N/A ALA 161.A N PHE 164.A O no hydrogen 3.012 N/A GLY 162.A N VAL 143.A O no hydrogen 2.716 N/A PHE 164.A N ALA 161.A O no hydrogen 2.864 N/A SER 165.A N LEU 134.A O no hydrogen 3.217 N/A SER 165.A OG HIS 115.A NE2 no hydrogen 2.836 N/A SER 165.A OG ALA 159.A O no hydrogen 2.963 N/A GLY 166.A N ALA 159.A O no hydrogen 3.052 N/A TYR 168.A N ALA 157.A O no hydrogen 2.910 N/A SER 172.A N VAL 153.A O no hydrogen 3.273 N/A SER 172.A OG PRO 173.A O no hydrogen 2.939 N/A GLY 174.A N ARG 150.A O no hydrogen 3.174 N/A TRP 176.A N TYR 168.A OH no hydrogen 3.402 N/A GLN 177.A N LEU 160.A O no hydrogen 2.787 N/A GLN 177.A NE2 PRO 144.A O no hydrogen 2.928 N/A LEU 178.A N ASP 97.A OD2 no hydrogen 2.760 N/A ILE 179.A N VAL 158.A O no hydrogen 2.852 N/A GLY 180.A N VAL 158.A O no hydrogen 3.353 N/A HIS 181.A N VAL 92.A O no hydrogen 2.875 N/A HIS 181.A ND1 ASP 94.A OD1 no hydrogen 2.795 N/A THR 182.A N GLY 156.A O no hydrogen 2.756 N/A THR 182.A OG1 ASP 90.A O no hydrogen 2.609 N/A ALA 184.A N THR 182.A OG1 no hydrogen 3.248 N/A ASP 187.A N PRO 193.A O no hydrogen 2.883 N/A ASN 189.A N ASP 187.A OD1 no hydrogen 3.017 N/A ARG 190.A N ASP 187.A O no hydrogen 3.262 N/A ARG 190.A NE LYS 192.A O no hydrogen 2.886 N/A ARG 190.A NH1 VAL 185.A O no hydrogen 2.744 N/A ARG 190.A NH2 VAL 185.A O no hydrogen 3.003 N/A ARG 190.A NH2 PRO 193.A O no hydrogen 2.772 N/A GLY 199.A N VAL 122.A O no hydrogen 2.801 N/A VAL 201.A N TRP 120.A O no hydrogen 2.663 N/A GLN 202.A N VAL 87.A O no hydrogen 3.017 N/A GLN 202.A NE2 THR 116.A O no hydrogen 2.680 N/A ARG 204.A N ILE 89.A O no hydrogen 2.850 N/A ARG 204.A NE ASP 90.A OD2 no hydrogen 2.636 N/A ARG 204.A NH2 ASP 90.A OD1 no hydrogen 2.948 N/A ARG 204.A NH2 ASP 90.A OD2 no hydrogen 3.313 N/A VAL 206.A N VAL 91.A O no hydrogen 2.744 N/A