Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5its_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N ASP 100.A OD2 no hydrogen 2.682 N/A ARG 4.A N ASP 100.A OD2 no hydrogen 3.111 N/A ARG 4.A NE LEU 98.A O no hydrogen 2.986 N/A VAL 5.A N ASP 36.A O no hydrogen 2.828 N/A THR 6.A N GLY 101.A O no hydrogen 3.000 N/A THR 6.A OG1 MET 95.A O no hydrogen 2.796 N/A VAL 7.A N VAL 38.A O no hydrogen 2.923 N/A PHE 8.A N ILE 103.A O no hydrogen 2.818 N/A THR 9.A OG1 PRO 106.A O no hydrogen 2.775 N/A GLY 10.A N PRO 106.A O no hydrogen 2.863 N/A LEU 18.A N SER 16.A OG no hydrogen 2.956 N/A TYR 19.A N SER 16.A O no hydrogen 3.488 N/A GLN 21.A N SER 17.A O no hydrogen 3.200 N/A ALA 22.A N LEU 18.A O no hydrogen 2.959 N/A ALA 23.A N TYR 19.A O no hydrogen 2.871 N/A GLN 24.A N THR 20.A O no hydrogen 2.941 N/A THR 25.A N GLN 21.A O no hydrogen 2.882 N/A THR 25.A OG1 GLN 21.A O no hydrogen 3.196 N/A LEU 26.A N ALA 22.A O no hydrogen 2.878 N/A ALA 27.A N ALA 23.A O no hydrogen 3.191 N/A LYS 28.A N GLN 24.A O no hydrogen 3.094 N/A THR 29.A N THR 25.A O no hydrogen 3.086 N/A THR 29.A OG1 THR 25.A O no hydrogen 2.533 N/A ALA 30.A N LEU 26.A O no hydrogen 2.879 N/A VAL 31.A N ALA 27.A O no hydrogen 2.902 N/A ASP 32.A N LYS 28.A O no hydrogen 2.975 N/A ARG 33.A N THR 29.A O no hydrogen 3.128 N/A ARG 33.A NH1 ASP 32.A OD2 no hydrogen 3.133 N/A GLY 34.A N VAL 31.A O no hydrogen 2.813 N/A ILE 35.A N ALA 30.A O no hydrogen 2.926 N/A ASP 36.A N GLN 3.A O no hydrogen 2.801 N/A LEU 37.A N GLU 60.A O no hydrogen 3.053 N/A VAL 38.A N VAL 5.A O no hydrogen 2.893 N/A TYR 39.A N PHE 62.A O no hydrogen 3.107 N/A TYR 39.A OH GLY 42.A O no hydrogen 2.813 N/A LYS 43.A N LEU 74.A O no hydrogen 2.826 N/A LEU 46.A N ALA 12.A O no hydrogen 3.234 N/A MET 47.A N GLY 10.A O no hydrogen 3.217 N/A GLY 48.A N VAL 44.A O no hydrogen 3.254 N/A ILE 49.A N GLY 45.A O no hydrogen 3.265 N/A VAL 50.A N LEU 46.A O no hydrogen 2.917 N/A ALA 51.A N MET 47.A O no hydrogen 3.137 N/A ASP 52.A N GLY 48.A O no hydrogen 2.895 N/A ALA 53.A N ILE 49.A O no hydrogen 3.037 N/A PHE 54.A N VAL 50.A O no hydrogen 3.063 N/A LEU 55.A N ALA 51.A O no hydrogen 3.180 N/A GLU 56.A N ASP 52.A O no hydrogen 2.816 N/A SER 57.A N ALA 53.A O no hydrogen 3.237 N/A SER 57.A OG ALA 53.A O no hydrogen 2.930 N/A GLY 58.A N LEU 55.A O no hydrogen 3.217 N/A GLY 59.A N PHE 54.A O no hydrogen 2.767 N/A ALA 61.A N THR 80.A OG1 no hydrogen 2.920 N/A PHE 62.A N LEU 37.A O no hydrogen 2.858 N/A GLY 63.A N GLU 81.A O no hydrogen 2.941 N/A VAL 64.A N TYR 39.A O no hydrogen 2.992 N/A ILE 65.A N GLU 83.A O no hydrogen 2.872 N/A GLU 67.A N VAL 85.A O no hydrogen 2.951 N/A LEU 69.A N THR 66.A O no hydrogen 3.231 N/A LEU 69.A N THR 66.A OG1 no hydrogen 3.185 N/A MET 70.A N THR 66.A O no hydrogen 3.062 N/A LYS 71.A N GLU 67.A O no hydrogen 2.965 N/A GLY 72.A N SER 68.A O no hydrogen 2.968 N/A GLU 73.A N MET 70.A O no hydrogen 3.096 N/A LEU 74.A N LEU 69.A O no hydrogen 3.390 N/A HIS 76.A N GLY 41.A O no hydrogen 3.022 N/A THR 80.A N ALA 61.A O no hydrogen 3.034 N/A LEU 82.A N GLU 81.A OE2 no hydrogen 3.227 N/A GLU 83.A N GLY 63.A O no hydrogen 2.845 N/A VAL 85.A N ILE 65.A O no hydrogen 2.938 N/A ILE 90.A N ASP 87.A OD1 no hydrogen 3.108 N/A ARG 91.A N ASP 87.A O no hydrogen 3.089 N/A ARG 91.A NE VAL 64.A O no hydrogen 2.981 N/A ARG 91.A NH2 GLY 40.A O no hydrogen 2.768 N/A LYS 92.A N MET 88.A O no hydrogen 2.996 N/A LYS 92.A NZ GLU 113.A OE2 no hydrogen 2.435 N/A LYS 92.A NZ GLU 117.A OE2 no hydrogen 2.999 N/A ARG 93.A N HIS 89.A O no hydrogen 2.895 N/A ARG 94.A N ILE 90.A O no hydrogen 2.868 N/A ARG 94.A NE GLU 83.A OE1 no hydrogen 3.145 N/A ARG 94.A NH1 GLU 83.A OE2 no hydrogen 2.782 N/A ARG 94.A NH2 GLU 97.A OE1 no hydrogen 3.382 N/A MET 95.A N ARG 91.A O no hydrogen 3.019 N/A ALA 96.A N LYS 92.A O no hydrogen 3.005 N/A GLU 97.A N ARG 93.A O no hydrogen 2.976 N/A LEU 98.A N ARG 94.A O no hydrogen 3.048 N/A GLY 99.A N MET 95.A O no hydrogen 3.083 N/A ASP 100.A N ARG 4.A O no hydrogen 2.993 N/A PHE 102.A N PRO 130.A O no hydrogen 2.922 N/A ILE 103.A N THR 6.A O no hydrogen 2.936 N/A ALA 104.A N ALA 132.A O no hydrogen 2.869 N/A MET 105.A N PHE 8.A O no hydrogen 2.828 N/A LEU 112.A N GLY 108.A O no hydrogen 2.880 N/A GLU 113.A N ALA 109.A O no hydrogen 3.025 N/A GLU 114.A N GLY 110.A O no hydrogen 3.159 N/A LEU 115.A N THR 111.A O no hydrogen 2.923 N/A PHE 116.A N LEU 112.A O no hydrogen 2.847 N/A GLU 117.A N GLU 113.A O no hydrogen 3.220 N/A VAL 118.A N GLU 114.A O no hydrogen 3.075 N/A TRP 119.A N LEU 115.A O no hydrogen 2.952 N/A THR 120.A N PHE 116.A O no hydrogen 2.931 N/A THR 120.A OG1 PHE 116.A O no hydrogen 2.726 N/A TRP 121.A N GLU 117.A O no hydrogen 3.010 N/A GLN 122.A N VAL 118.A O no hydrogen 3.096 N/A GLN 123.A N TRP 119.A O no hydrogen 3.135 N/A LEU 124.A N THR 120.A O no hydrogen 3.099 N/A GLY 125.A N GLN 122.A O no hydrogen 3.070 N/A ILE 126.A N TRP 121.A O no hydrogen 2.934 N/A HIS 127.A NE2 VAL 118.A O no hydrogen 2.776 N/A LYS 129.A N HIS 127.A ND1 no hydrogen 3.152 N/A LYS 129.A NZ ALA 96.A O no hydrogen 2.792 N/A LYS 129.A NZ GLY 99.A O no hydrogen 2.756 N/A ALA 132.A N PHE 102.A O no hydrogen 2.736 N/A LEU 133.A N ILE 165.A O no hydrogen 2.813 N/A TYR 134.A N ALA 104.A O no hydrogen 3.115 N/A TYR 134.A OH ALA 22.A O no hydrogen 2.770 N/A ASP 135.A N GLU 167.A O no hydrogen 2.911 N/A VAL 136.A N TYR 134.A O no hydrogen 2.956 N/A GLY 138.A N ASP 135.A O no hydrogen 3.356 N/A PHE 139.A N VAL 136.A O no hydrogen 2.919 N/A TRP 140.A N ASP 135.A OD1 no hydrogen 2.846 N/A TRP 140.A NE1 ALA 104.A O no hydrogen 3.032 N/A GLN 141.A N GLY 138.A O no hydrogen 3.066 N/A LEU 144.A N TRP 140.A O no hydrogen 3.053 N/A GLU 145.A N GLN 141.A O no hydrogen 2.979 N/A MET 146.A N PRO 142.A O no hydrogen 3.048 N/A LEU 147.A N LEU 143.A O no hydrogen 2.903 N/A GLU 148.A N LEU 144.A O no hydrogen 2.695 N/A GLN 149.A N GLU 145.A O no hydrogen 3.145 N/A MET 150.A N MET 146.A O no hydrogen 3.052 N/A THR 151.A N LEU 147.A O no hydrogen 2.940 N/A THR 151.A OG1 LEU 147.A O no hydrogen 2.864 N/A GLN 152.A N GLU 148.A O no hydrogen 2.941 N/A GLN 152.A NE2 GLU 148.A OE1 no hydrogen 2.608 N/A ARG 153.A N GLN 149.A O no hydrogen 2.868 N/A ARG 153.A N MET 150.A O no hydrogen 3.142 N/A GLY 154.A N THR 151.A O no hydrogen 3.192 N/A PHE 155.A N MET 150.A O no hydrogen 3.049 N/A ARG 158.A NH1 GLU 148.A OE2 no hydrogen 2.959 N/A ARG 158.A NH2 GLU 148.A OE1 no hydrogen 2.853 N/A ARG 158.A NH2 GLU 148.A OE2 no hydrogen 3.540 N/A PHE 161.A N LYS 157.A O no hydrogen 3.115 N/A GLU 162.A N ARG 158.A O no hydrogen 3.042 N/A GLU 162.A N ASP 159.A O no hydrogen 3.315 N/A CYS 163.A N ASP 159.A O no hydrogen 3.366 N/A CYS 163.A N PHE 160.A O no hydrogen 3.182 N/A CYS 163.A SG ASP 159.A O no hydrogen 3.859 N/A LEU 164.A N PHE 161.A O no hydrogen 3.220 N/A ILE 165.A N VAL 131.A O no hydrogen 3.319 N/A GLU 167.A N LEU 133.A O no hydrogen 3.170 N/A HIS 171.A N ASP 169.A OD1 no hydrogen 2.810 N/A ALA 172.A N ASP 169.A OD1 no hydrogen 2.978 N/A LEU 173.A N ASP 169.A O no hydrogen 2.980 N/A LEU 174.A N PRO 170.A O no hydrogen 3.120 N/A LYS 175.A N HIS 171.A O no hydrogen 3.006 N/A ALA 176.A N ALA 172.A O no hydrogen 2.844 N/A MET 177.A N LEU 173.A O no hydrogen 3.051 N/A GLN 178.A N LEU 174.A O no hydrogen 2.905 N/A THR 179.A N LYS 175.A O no hydrogen 3.025 N/A THR 179.A OG1 LYS 175.A O no hydrogen 2.982 N/A THR 179.A OG1 ALA 176.A O no hydrogen 3.568 N/A TRP 180.A NE1 CYS 163.A O no hydrogen 2.914 N/A