Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4raj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N ASP 179.A OD1 no hydrogen 2.763 N/A THR 4.A OG1 ASP 179.A OD1 no hydrogen 3.017 N/A THR 4.A OG1 ASP 179.A OD2 no hydrogen 2.541 N/A LYS 5.A N PRO 2.A O no hydrogen 3.002 N/A ARG 6.A N PRO 2.A O no hydrogen 3.097 N/A ARG 6.A NH2 ASP 191.A OD1 no hydrogen 2.786 N/A LEU 7.A N LEU 3.A O no hydrogen 2.864 N/A SER 8.A N THR 4.A O no hydrogen 2.936 N/A SER 8.A OG THR 4.A O no hydrogen 2.864 N/A LYS 9.A N LYS 5.A O no hydrogen 2.987 N/A LYS 9.A NZ GLU 1.A OE1 no hydrogen 3.239 N/A ALA 10.A N ARG 6.A O no hydrogen 3.103 N/A SER 11.A N LEU 7.A O no hydrogen 2.911 N/A SER 11.A OG LEU 7.A O no hydrogen 3.177 N/A SER 11.A OG SER 8.A O no hydrogen 3.383 N/A SER 11.A OG HIS 197.A NE2 no hydrogen 2.920 N/A ARG 12.A N LYS 9.A O no hydrogen 3.454 N/A HIS 15.A N SER 11.A O no hydrogen 2.806 N/A ASN 16.A N ARG 12.A O no hydrogen 3.126 N/A VAL 17.A N LYS 13.A O no hydrogen 3.116 N/A SER 18.A N ILE 14.A O no hydrogen 2.844 N/A SER 18.A OG ILE 14.A O no hydrogen 3.140 N/A SER 18.A OG ASN 205.A OD1 no hydrogen 2.578 N/A ASN 19.A N HIS 15.A O no hydrogen 2.889 N/A SER 20.A N ASN 16.A O no hydrogen 3.139 N/A LEU 21.A N VAL 17.A O no hydrogen 3.068 N/A VAL 22.A N SER 18.A O no hydrogen 2.768 N/A ASN 23.A N ASN 19.A O no hydrogen 2.916 N/A ALA 24.A N SER 20.A O no hydrogen 2.802 N/A ARG 25.A N VAL 22.A O no hydrogen 2.970 N/A ARG 25.A NH1 LEU 21.A O no hydrogen 3.135 N/A LEU 26.A N VAL 22.A O no hydrogen 2.963 N/A LEU 29.A N ARG 25.A O no hydrogen 2.891 N/A PHE 30.A N LEU 26.A O no hydrogen 2.793 N/A SER 31.A N ALA 28.A O no hydrogen 3.236 N/A SER 31.A OG ALA 28.A O no hydrogen 2.568 N/A ASP 32.A N LEU 29.A O no hydrogen 3.250 N/A ASP 34.A N ASP 32.A OD1 no hydrogen 2.814 N/A TYR 36.A N ASP 32.A O no hydrogen 2.988 N/A ALA 37.A N LYS 33.A O no hydrogen 2.912 N/A LYS 38.A N ASP 34.A O no hydrogen 2.996 N/A ALA 39.A N LEU 35.A O no hydrogen 3.006 N/A LEU 40.A N TYR 36.A O no hydrogen 2.914 N/A GLY 41.A N ALA 37.A O no hydrogen 2.901 N/A CYS 42.A N ALA 39.A O no hydrogen 3.131 N/A CYS 42.A SG LYS 38.A O no hydrogen 4.030 N/A TYR 44.A N LEU 40.A O no hydrogen 2.815 N/A TYR 45.A N GLY 41.A O no hydrogen 3.222 N/A VAL 46.A N CYS 42.A O no hydrogen 3.165 N/A PHE 47.A N PHE 43.A O no hydrogen 2.878 N/A VAL 48.A N TYR 44.A O no hydrogen 2.814 N/A ALA 49.A N TYR 45.A O no hydrogen 3.010 N/A LEU 50.A N VAL 46.A O no hydrogen 2.980 N/A GLU 51.A N PHE 47.A O no hydrogen 2.951 N/A ALA 52.A N VAL 48.A O no hydrogen 2.906 N/A ALA 53.A N ALA 49.A O no hydrogen 3.043 N/A LEU 54.A N LEU 50.A O no hydrogen 2.959 N/A ASP 55.A N GLU 51.A O no hydrogen 2.893 N/A GLU 56.A N ALA 52.A O no hydrogen 2.961 N/A ALA 57.A N ALA 53.A O no hydrogen 3.020 N/A LEU 58.A N LEU 54.A O no hydrogen 2.850 N/A LYS 59.A N ASP 55.A O no hydrogen 2.897 N/A LYS 60.A N GLU 56.A O no hydrogen 2.999 N/A LYS 60.A NZ GLY 116.A O no hydrogen 2.922 N/A GLY 61.A N LEU 58.A O no hydrogen 3.043 N/A ASP 62.A N ALA 57.A O no hydrogen 2.925 N/A ASP 64.A N ASP 62.A OD2 no hydrogen 2.947 N/A VAL 65.A N ASP 62.A OD2 no hydrogen 2.944 N/A SER 66.A N ASP 62.A O no hydrogen 2.937 N/A SER 66.A OG ASP 62.A O no hydrogen 2.726 N/A LYS 67.A N ASP 64.A O no hydrogen 3.119 N/A PHE 68.A N VAL 65.A O no hydrogen 2.830 N/A LYS 69.A N SER 66.A O no hydrogen 3.137 N/A LEU 72.A N PHE 68.A O no hydrogen 2.882 N/A LYS 73.A N LYS 69.A O no hydrogen 2.894 N/A LYS 73.A NZ ASP 55.A OD1 no hydrogen 3.007 N/A TYR 77.A OH ASP 55.A OD1 no hydrogen 2.841 N/A ARG 78.A N GLU 51.A OE2 no hydrogen 2.734 N/A ARG 78.A NE LEU 76.A O no hydrogen 3.172 N/A ARG 78.A NE TYR 77.A O no hydrogen 3.090 N/A ARG 78.A NH1 ALA 159.A O no hydrogen 2.932 N/A ARG 78.A NH1 ASP 161.A O no hydrogen 2.829 N/A ARG 78.A NH2 GLY 75.A O no hydrogen 3.044 N/A ARG 78.A NH2 ASP 161.A O no hydrogen 3.199 N/A ALA 79.A N GLU 51.A OE1 no hydrogen 3.103 N/A PHE 82.A N ARG 78.A O no hydrogen 2.928 N/A LYS 83.A N ALA 79.A O no hydrogen 2.883 N/A GLN 84.A N PRO 80.A O no hydrogen 2.933 N/A ASP 85.A N GLY 81.A O no hydrogen 3.104 N/A VAL 86.A N PHE 82.A O no hydrogen 2.922 N/A GLN 87.A N LYS 83.A O no hydrogen 2.948 N/A HIS 88.A N GLN 84.A O no hydrogen 2.881 N/A TYR 89.A N ASP 85.A O no hydrogen 2.928 N/A TYR 89.A OH GLY 156.A O no hydrogen 2.796 N/A LEU 90.A N VAL 86.A O no hydrogen 3.031 N/A GLY 91.A N GLN 87.A O no hydrogen 2.912 N/A TRP 94.A N GLY 91.A O no hydrogen 3.077 N/A GLN 97.A N THR 93.A O no hydrogen 3.045 N/A GLN 97.A NE2 THR 93.A OG1 no hydrogen 3.060 N/A LEU 98.A N TRP 94.A O no hydrogen 3.037 N/A LEU 98.A N GLN 95.A O no hydrogen 3.303 N/A GLY 99.A N ALA 96.A O no hydrogen 2.972 N/A LYS 101.A NZ GLU 109.A OE1 no hydrogen 3.560 N/A LYS 101.A NZ GLU 109.A OE2 no hydrogen 2.768 N/A GLN 103.A NE2 ASP 107.A OD1 no hydrogen 2.888 N/A LEU 105.A N SER 102.A OG no hydrogen 3.035 N/A LYS 106.A N SER 102.A O no hydrogen 3.078 N/A ASP 107.A N GLN 103.A O no hydrogen 2.790 N/A TYR 108.A N ALA 104.A O no hydrogen 3.178 N/A TYR 108.A OH HIS 126.A ND1 no hydrogen 2.778 N/A GLU 109.A N LEU 105.A O no hydrogen 2.888 N/A ALA 110.A N LYS 106.A O no hydrogen 2.927 N/A HIS 111.A N ASP 107.A O no hydrogen 2.994 N/A HIS 111.A NE2 GLU 196.A OE1 no hydrogen 2.775 N/A LEU 112.A N TYR 108.A O no hydrogen 2.891 N/A ALA 113.A N GLU 109.A O no hydrogen 3.073 N/A SER 114.A N ALA 110.A O no hydrogen 2.930 N/A LEU 115.A N HIS 111.A O no hydrogen 2.906 N/A GLY 116.A N LEU 112.A O no hydrogen 2.941 N/A ARG 117.A N ALA 113.A O no hydrogen 3.058 N/A SER 118.A N SER 114.A O no hydrogen 2.977 N/A SER 118.A OG SER 114.A O no hydrogen 2.839 N/A SER 119.A N LEU 115.A O no hydrogen 2.856 N/A LEU 122.A N SER 119.A O no hydrogen 3.103 N/A LEU 123.A N PRO 120.A O no hydrogen 3.025 N/A LEU 124.A N ALA 121.A O no hydrogen 3.005 N/A ALA 125.A N LEU 122.A O no hydrogen 3.182 N/A HIS 126.A ND1 TYR 108.A OH no hydrogen 2.778 N/A HIS 126.A NE2 GLU 196.A OE1 no hydrogen 2.648 N/A VAL 127.A N LEU 123.A O no hydrogen 2.953 N/A TYR 128.A N LEU 124.A O no hydrogen 2.975 N/A TYR 128.A OH THR 4.A O no hydrogen 3.430 N/A TYR 128.A OH SER 8.A OG no hydrogen 2.983 N/A THR 129.A N ALA 125.A O no hydrogen 3.193 N/A THR 129.A OG1 ALA 125.A O no hydrogen 2.953 N/A THR 129.A OG1 HIS 197.A ND1 no hydrogen 2.772 N/A GLN 130.A N HIS 126.A O no hydrogen 2.854 N/A GLN 130.A NE2 TYR 108.A OH no hydrogen 2.914 N/A GLN 130.A NE2 ASN 204.A OD1 no hydrogen 2.822 N/A HIS 131.A N VAL 127.A O no hydrogen 2.942 N/A HIS 131.A NE2 GLU 51.A OE2 no hydrogen 2.811 N/A MET 134.A N GLN 130.A O no hydrogen 3.309 N/A ALA 135.A N HIS 131.A O no hydrogen 3.356 N/A SER 136.A N ALA 133.A O no hydrogen 2.959 N/A GLY 138.A N ALA 133.A O no hydrogen 3.073 N/A GLN 139.A N SER 136.A O no hydrogen 3.179 N/A GLN 139.A NE2 MET 134.A O no hydrogen 3.092 N/A GLN 139.A NE2 PHE 160.A O no hydrogen 2.997 N/A ILE 140.A N GLY 137.A O no hydrogen 2.834 N/A LYS 142.A N GLY 138.A O no hydrogen 3.016 N/A LYS 142.A NZ ASP 161.A OD1 no hydrogen 2.969 N/A ARG 143.A N GLN 139.A O no hydrogen 3.127 N/A TRP 144.A N ILE 140.A O no hydrogen 3.121 N/A ALA 145.A N VAL 141.A O no hydrogen 2.857 N/A ARG 146.A N LYS 142.A O no hydrogen 2.982 N/A ARG 146.A NE PRO 152.A O no hydrogen 3.036 N/A ARG 146.A NH1 PRO 152.A O no hydrogen 3.066 N/A ARG 146.A NH1 VAL 155.A O no hydrogen 2.973 N/A ARG 146.A NH1 THR 157.A OG1 no hydrogen 3.110 N/A ARG 146.A NH2 THR 157.A OG1 no hydrogen 3.123 N/A LYS 147.A N ARG 143.A O no hydrogen 3.081 N/A ILE 148.A N TRP 144.A O no hydrogen 2.860 N/A PHE 149.A N ALA 145.A O no hydrogen 2.908 N/A LEU 151.A N ARG 146.A O no hydrogen 3.092 N/A VAL 155.A N PRO 152.A O no hydrogen 3.502 N/A THR 157.A OG1 ASP 161.A OD1 no hydrogen 2.913 N/A THR 157.A OG1 ASP 161.A OD2 no hydrogen 3.535 N/A ALA 158.A N ASP 85.A OD1 no hydrogen 2.774 N/A ALA 159.A N ASP 85.A OD2 no hydrogen 2.821 N/A PHE 160.A N THR 157.A O no hydrogen 2.938 N/A ASP 161.A N ALA 158.A O no hydrogen 3.283 N/A SER 166.A OG THR 169.A OG1 no hydrogen 2.875 N/A ASN 167.A ND2 ALA 135.A O no hydrogen 2.940 N/A THR 169.A N SER 166.A OG no hydrogen 3.008 N/A THR 169.A OG1 SER 166.A OG no hydrogen 2.875 N/A LEU 170.A N SER 166.A O no hydrogen 3.017 N/A ARG 171.A N ASN 167.A O no hydrogen 2.956 N/A SER 172.A N ASN 168.A O no hydrogen 3.065 N/A SER 172.A OG ASN 168.A O no hydrogen 3.299 N/A SER 172.A OG THR 169.A O no hydrogen 3.230 N/A ALA 173.A N THR 169.A O no hydrogen 2.935 N/A PHE 174.A N LEU 170.A O no hydrogen 3.100 N/A LYS 175.A N ARG 171.A O no hydrogen 3.013 N/A LYS 176.A N SER 172.A O no hydrogen 2.950 N/A GLN 177.A N ALA 173.A O no hydrogen 3.187 N/A GLN 177.A NE2 LYS 67.A O no hydrogen 2.499 N/A PHE 178.A N PHE 174.A O no hydrogen 2.750 N/A ASP 179.A N LYS 175.A O no hydrogen 2.921 N/A GLU 180.A N LYS 176.A O no hydrogen 3.070 N/A TRP 181.A N GLN 177.A O no hydrogen 2.801 N/A TRP 181.A NE1 ASP 64.A OD1 no hydrogen 2.889 N/A GLY 182.A N PHE 178.A O no hydrogen 2.855 N/A ALA 183.A N ASP 179.A O no hydrogen 3.109 N/A ALA 184.A N TRP 181.A O no hydrogen 3.021 N/A GLN 185.A N GLY 182.A O no hydrogen 3.083 N/A GLN 185.A NE2 TRP 181.A O no hydrogen 3.003 N/A GLN 187.A NE2 ASP 191.A OD1 no hydrogen 3.009 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.880 N/A GLN 190.A N PRO 186.A O no hydrogen 3.088 N/A GLN 190.A NE2 GLN 185.A O no hydrogen 2.755 N/A ASP 191.A N GLN 187.A O no hydrogen 2.872 N/A GLN 192.A N GLU 188.A O no hydrogen 3.010 N/A LEU 193.A N LEU 189.A O no hydrogen 2.935 N/A LEU 194.A N GLN 190.A O no hydrogen 3.136 N/A SER 195.A N ASP 191.A O no hydrogen 2.954 N/A SER 195.A OG ASP 191.A O no hydrogen 3.278 N/A GLU 196.A N GLN 192.A O no hydrogen 2.839 N/A HIS 197.A N LEU 193.A O no hydrogen 2.960 N/A HIS 197.A ND1 THR 129.A OG1 no hydrogen 2.772 N/A HIS 197.A NE2 SER 11.A OG no hydrogen 2.920 N/A LEU 198.A N LEU 194.A O no hydrogen 3.112 N/A ALA 199.A N SER 195.A O no hydrogen 2.968 N/A ALA 200.A N GLU 196.A O no hydrogen 3.003 N/A GLY 202.A N LEU 198.A O no hydrogen 3.029 N/A HIS 203.A N ALA 199.A O no hydrogen 2.764 N/A ASN 204.A N ALA 200.A O no hydrogen 2.936 N/A ASN 204.A ND2 GLN 130.A OE1 no hydrogen 2.895 N/A ASN 205.A N PHE 201.A O no hydrogen 2.859 N/A ALA 206.A N GLY 202.A O no hydrogen 3.085 N/A ILE 207.A N HIS 203.A O no hydrogen 2.940 N/A ILE 208.A N ASN 204.A O no hydrogen 2.920 N/A LYS 209.A N ASN 205.A O no hydrogen 2.918 N/A ALA 210.A N ALA 206.A O no hydrogen 3.042 N/A PHE 211.A N ILE 208.A O no hydrogen 3.260 N/A