Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1r5l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N GLN 1.A O no hydrogen 3.187 N/A LEU 7.A N GLY 3.A O no hydrogen 2.822 N/A ARG 8.A N LEU 4.A O no hydrogen 2.910 N/A ARG 8.A NE LEU 23.A O no hydrogen 2.939 N/A ARG 8.A NH1 ASP 25.A OD1 no hydrogen 3.537 N/A ARG 8.A NH2 LEU 23.A O no hydrogen 2.807 N/A ARG 8.A NH2 ASP 25.A OD1 no hydrogen 2.721 N/A ARG 9.A N ALA 5.A O no hydrogen 2.981 N/A ARG 10.A N ALA 6.A O no hydrogen 3.089 N/A ARG 10.A NH1 ASP 40.A OD1 no hydrogen 2.884 N/A ARG 10.A NH2 ASP 40.A OD1 no hydrogen 3.228 N/A ALA 11.A N LEU 7.A O no hydrogen 3.083 N/A ARG 12.A N ARG 8.A O no hydrogen 2.869 N/A GLU 13.A N ARG 9.A O no hydrogen 2.764 N/A ALA 14.A N ARG 10.A O no hydrogen 2.821 N/A GLY 15.A N ARG 12.A O no hydrogen 2.961 N/A VAL 16.A N ALA 11.A O no hydrogen 3.085 N/A PHE 27.A N THR 24.A OG1 no hydrogen 3.042 N/A LEU 28.A N THR 24.A O no hydrogen 3.005 N/A LEU 29.A N ASP 25.A O no hydrogen 2.804 N/A ARG 30.A N PHE 27.A O no hydrogen 3.046 N/A ARG 30.A NH2 TYR 241.A OH no hydrogen 3.364 N/A PHE 31.A N LEU 28.A O no hydrogen 3.006 N/A LEU 32.A N LEU 28.A O no hydrogen 3.138 N/A ARG 33.A N LEU 29.A O no hydrogen 2.805 N/A ARG 33.A NH1 GLN 126.A OE1 no hydrogen 2.779 N/A ALA 34.A N ARG 30.A O no hydrogen 3.048 N/A ARG 35.A N LEU 32.A O no hydrogen 3.099 N/A ARG 35.A NE ASP 161.A OD1 no hydrogen 3.310 N/A ARG 35.A NH1 ALA 34.A O no hydrogen 2.983 N/A ARG 35.A NH2 ASP 161.A OD1 no hydrogen 2.669 N/A ASP 36.A N ARG 33.A O no hydrogen 3.348 N/A PHE 37.A N LEU 32.A O no hydrogen 2.792 N/A ASP 38.A N ARG 35.A O no hydrogen 2.987 N/A LEU 41.A N ASP 38.A OD1 no hydrogen 2.958 N/A ALA 42.A N ASP 38.A O no hydrogen 2.755 N/A TRP 43.A N LEU 39.A O no hydrogen 2.886 N/A ARG 44.A N ASP 40.A O no hydrogen 3.010 N/A ARG 44.A NE ASP 161.A OD2 no hydrogen 2.835 N/A LEU 45.A N LEU 41.A O no hydrogen 2.987 N/A LEU 46.A N ALA 42.A O no hydrogen 2.843 N/A LYS 47.A N TRP 43.A O no hydrogen 2.954 N/A ASN 48.A N ARG 44.A O no hydrogen 2.895 N/A ASN 48.A ND2 ASP 161.A O no hydrogen 2.977 N/A TYR 49.A N LEU 45.A O no hydrogen 2.833 N/A TYR 49.A OH GLU 117.A OE2 no hydrogen 2.619 N/A TYR 50.A N LEU 46.A O no hydrogen 3.167 N/A LYS 51.A N LYS 47.A O no hydrogen 2.916 N/A LYS 51.A NZ GLU 55.A OE1 no hydrogen 2.731 N/A LYS 51.A NZ GLU 55.A OE2 no hydrogen 3.313 N/A TRP 52.A N ASN 48.A O no hydrogen 2.810 N/A ARG 53.A N TYR 49.A O no hydrogen 3.112 N/A ALA 54.A N TYR 50.A O no hydrogen 2.993 N/A GLU 55.A N LYS 51.A O no hydrogen 2.816 N/A CYS 56.A SG TRP 52.A O no hydrogen 3.365 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.472 N/A ILE 59.A N CYS 56.A O no hydrogen 2.938 N/A SER 60.A N CYS 56.A O no hydrogen 2.920 N/A SER 60.A OG ARG 53.A O no hydrogen 2.732 N/A SER 60.A OG CYS 56.A O no hydrogen 3.333 N/A ALA 61.A N PRO 57.A O no hydrogen 3.026 N/A LEU 63.A N SER 246.A OG no hydrogen 2.883 N/A HIS 64.A N ASP 62.A OD1 no hydrogen 3.016 N/A ARG 66.A N HIS 64.A ND1 no hydrogen 2.903 N/A ARG 66.A NH2 ASP 62.A OD1 no hydrogen 3.466 N/A ARG 66.A NH2 ASP 62.A OD2 no hydrogen 3.036 N/A ILE 68.A N PRO 65.A O no hydrogen 3.042 N/A LEU 72.A N ILE 68.A O no hydrogen 3.116 N/A LYS 73.A N ILE 69.A O no hydrogen 2.905 N/A ALA 74.A N GLY 70.A O no hydrogen 2.919 N/A GLY 75.A N LEU 72.A O no hydrogen 3.021 N/A TYR 76.A N LEU 71.A O no hydrogen 3.471 N/A HIS 77.A ND1 ILE 92.A O no hydrogen 2.907 N/A HIS 77.A NE2 THR 115.A OG1 no hydrogen 2.694 N/A GLY 78.A N ILE 92.A O no hydrogen 3.021 N/A LEU 80.A N VAL 90.A O no hydrogen 2.872 N/A ARG 81.A NE GLU 231.A OE2 no hydrogen 2.970 N/A ARG 81.A NH2 GLU 231.A OE1 no hydrogen 2.562 N/A ARG 83.A NH1 GLY 87.A O no hydrogen 3.008 N/A ARG 83.A NH1 THR 125.A OG1 no hydrogen 2.872 N/A ARG 83.A NH2 THR 125.A OG1 no hydrogen 3.134 N/A ASP 84.A N SER 88.A O no hydrogen 3.042 N/A THR 86.A N ASP 84.A OD1 no hydrogen 2.917 N/A THR 86.A OG1 ASP 84.A OD1 no hydrogen 2.871 N/A THR 86.A OG1 ASP 84.A OD2 no hydrogen 3.547 N/A THR 86.A OG1 SER 88.A OG no hydrogen 3.419 N/A GLY 87.A N ASP 84.A O no hydrogen 2.826 N/A SER 88.A N ASP 84.A OD1 no hydrogen 2.934 N/A SER 88.A OG THR 86.A OG1 no hydrogen 3.419 N/A SER 88.A OG ASN 128.A O no hydrogen 2.720 N/A LYS 89.A N GLY 129.A O no hydrogen 3.009 N/A LYS 89.A NZ GLU 122.A OE1 no hydrogen 3.537 N/A LYS 89.A NZ GLU 122.A OE2 no hydrogen 2.660 N/A LEU 91.A N LYS 131.A O no hydrogen 2.898 N/A ILE 92.A N GLY 78.A O no hydrogen 2.876 N/A TYR 93.A N ILE 133.A O no hydrogen 2.881 N/A TYR 93.A OH SER 112.A OG no hydrogen 2.740 N/A ARG 94.A N TYR 76.A O no hydrogen 2.767 N/A ARG 94.A NE GLY 75.A O no hydrogen 3.056 N/A ARG 94.A NH2 GLY 75.A O no hydrogen 2.928 N/A ILE 95.A N ASP 135.A O no hydrogen 3.056 N/A HIS 97.A N ARG 94.A O no hydrogen 2.981 N/A HIS 97.A ND1 ALA 74.A O no hydrogen 2.815 N/A TRP 98.A N ILE 95.A O no hydrogen 2.957 N/A TRP 98.A NE1 PHE 103.A O no hydrogen 2.903 N/A LYS 101.A N ASP 99.A OD1 no hydrogen 2.907 N/A VAL 102.A N ASP 99.A O no hydrogen 2.999 N/A PHE 103.A N ASP 99.A O no hydrogen 2.998 N/A THR 104.A N ASP 107.A OD2 no hydrogen 2.878 N/A ALA 105.A N GLN 146.A OE1 no hydrogen 2.919 N/A ASP 107.A N THR 104.A OG1 no hydrogen 3.214 N/A VAL 108.A N THR 104.A O no hydrogen 3.042 N/A PHE 109.A N ALA 105.A O no hydrogen 2.798 N/A ARG 110.A N TYR 106.A O no hydrogen 2.887 N/A ARG 110.A NH1 SER 67.A OG no hydrogen 3.050 N/A ARG 110.A NH1 ASP 107.A OD1 no hydrogen 2.804 N/A ARG 110.A NH2 GLU 58.A O no hydrogen 2.828 N/A VAL 111.A N ASP 107.A O no hydrogen 3.249 N/A VAL 111.A N VAL 108.A O no hydrogen 3.151 N/A SER 112.A OG TYR 93.A OH no hydrogen 2.740 N/A LEU 113.A N PHE 109.A O no hydrogen 3.009 N/A ILE 114.A N ARG 110.A O no hydrogen 2.795 N/A THR 115.A N VAL 111.A O no hydrogen 2.996 N/A THR 115.A OG1 HIS 77.A NE2 no hydrogen 2.694 N/A THR 115.A OG1 VAL 111.A O no hydrogen 3.505 N/A SER 116.A N SER 112.A O no hydrogen 2.853 N/A SER 116.A OG SER 112.A O no hydrogen 2.697 N/A GLU 117.A N LEU 113.A O no hydrogen 2.907 N/A LEU 118.A N ILE 114.A O no hydrogen 3.028 N/A ILE 119.A N THR 115.A O no hydrogen 2.817 N/A VAL 120.A N SER 116.A O no hydrogen 3.044 N/A GLN 121.A N LEU 118.A O no hydrogen 3.234 N/A GLU 122.A N ILE 119.A O no hydrogen 3.012 N/A THR 125.A N GLU 122.A O no hydrogen 3.047 N/A THR 125.A OG1 GLU 122.A OE1 no hydrogen 2.688 N/A GLN 126.A N GLU 122.A O no hydrogen 2.993 N/A GLN 126.A NE2 VAL 120.A O no hydrogen 2.804 N/A ARG 127.A N VAL 123.A O no hydrogen 2.885 N/A ARG 127.A NH1 GLU 124.A OE2 no hydrogen 3.404 N/A ASN 128.A N GLU 124.A O no hydrogen 2.844 N/A GLY 129.A N THR 125.A O no hydrogen 2.796 N/A ILE 130.A N LYS 166.A O no hydrogen 2.948 N/A LYS 131.A N LYS 89.A O no hydrogen 2.882 N/A LYS 131.A NZ ASP 84.A OD2 no hydrogen 2.745 N/A LYS 131.A NZ SER 88.A OG no hydrogen 2.945 N/A ALA 132.A N GLY 169.A O no hydrogen 3.051 N/A ILE 133.A N LEU 91.A O no hydrogen 2.815 N/A PHE 134.A N HIS 171.A O no hydrogen 2.786 N/A ASP 135.A N TYR 93.A O no hydrogen 2.824 N/A LEU 136.A N ILE 173.A O no hydrogen 2.972 N/A GLU 137.A N ASP 135.A OD2 no hydrogen 3.084 N/A TRP 139.A N LEU 136.A O no hydrogen 2.981 N/A GLN 140.A N HIS 143.A ND1 no hydrogen 2.852 N/A GLN 140.A NE2 GLY 138.A O no hydrogen 2.965 N/A HIS 143.A N GLN 140.A O no hydrogen 2.947 N/A HIS 143.A NE2 TRP 98.A O no hydrogen 2.840 N/A ALA 144.A N GLN 140.A O no hydrogen 3.190 N/A PHE 145.A N PHE 141.A O no hydrogen 2.835 N/A GLN 146.A N HIS 143.A O no hydrogen 3.061 N/A ILE 147.A N ALA 144.A O no hydrogen 2.914 N/A VAL 151.A N THR 148.A OG1 no hydrogen 3.216 N/A ALA 152.A N THR 148.A O no hydrogen 2.835 N/A LYS 153.A N PRO 149.A O no hydrogen 3.006 N/A LYS 154.A N SER 150.A O.A no hydrogen 2.964 N/A LYS 154.A N SER 150.A O.B no hydrogen 3.033 N/A LYS 154.A NZ GLU 55.A O no hydrogen 3.243 N/A ILE 155.A N VAL 151.A O no hydrogen 2.830 N/A ALA 156.A N ALA 152.A O no hydrogen 2.979 N/A ALA 157.A N LYS 153.A O no hydrogen 2.917 N/A VAL 158.A N LYS 154.A O no hydrogen 3.136 N/A LEU 159.A N ILE 155.A O no hydrogen 3.211 N/A THR 160.A N ALA 157.A O no hydrogen 3.135 N/A THR 160.A OG1 ALA 156.A O no hydrogen 2.752 N/A THR 160.A OG1 ALA 157.A O no hydrogen 3.260 N/A ASP 161.A N ALA 157.A O no hydrogen 3.109 N/A LEU 165.A N PHE 163.A O no hydrogen 2.825 N/A LYS 166.A NZ ASP 36.A OD1 no hydrogen 3.386 N/A LYS 166.A NZ ARG 127.A O no hydrogen 3.043 N/A ARG 168.A N.A ILE 130.A O no hydrogen 2.794 N/A ARG 168.A N.B ILE 130.A O no hydrogen 2.822 N/A ARG 168.A NH1.A ASN 128.A O no hydrogen 3.394 N/A ILE 170.A N ARG 196.A O no hydrogen 2.903 N/A HIS 171.A N ALA 132.A O no hydrogen 2.817 N/A LEU 172.A N HIS 198.A O no hydrogen 2.866 N/A ILE 173.A N PHE 134.A O no hydrogen 3.000 N/A ASN 174.A N GLY 200.A O no hydrogen 2.876 N/A ASN 174.A ND2 ASP 135.A OD2 no hydrogen 2.982 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.768 N/A PHE 179.A N PRO 176.A O no hydrogen 2.848 N/A HIS 180.A N VAL 177.A O no hydrogen 3.051 N/A VAL 182.A N PHE 179.A O no hydrogen 2.902 N/A PHE 183.A N PHE 179.A O no hydrogen 3.083 N/A SER 184.A N HIS 180.A O no hydrogen 2.904 N/A SER 184.A OG HIS 180.A NE2 no hydrogen 3.220 N/A SER 184.A OG HIS 180.A O no hydrogen 3.017 N/A LYS 186.A N PHE 183.A O no hydrogen 2.853 N/A PHE 188.A N ILE 185.A O no hydrogen 2.978 N/A LEU 189.A N LYS 186.A O no hydrogen 3.050 N/A ILE 193.A N THR 190.A OG1 no hydrogen 3.326 N/A LYS 194.A N THR 190.A O no hydrogen 2.988 N/A LYS 194.A NZ GLU 191.A OE2 no hydrogen 2.685 N/A GLU 195.A N GLU 191.A O no hydrogen 3.030 N/A ARG 196.A N ILE 193.A O no hydrogen 2.813 N/A ARG 196.A NH1 VAL 167.A O no hydrogen 3.214 N/A ILE 197.A N LYS 194.A O no hydrogen 3.307 N/A HIS 198.A N ILE 170.A O no hydrogen 2.770 N/A GLY 200.A N GLU 175.A OE1 no hydrogen 2.708 N/A SER 206.A OG TYR 203.A O no hydrogen 3.165 N/A LEU 207.A N TYR 203.A O no hydrogen 2.763 N/A LEU 208.A N LYS 204.A O no hydrogen 3.044 N/A GLN 209.A N GLN 205.A O no hydrogen 3.041 N/A HIS 210.A N SER 206.A O no hydrogen 3.388 N/A HIS 210.A N LEU 207.A O no hydrogen 3.087 N/A PHE 211.A N LEU 207.A O no hydrogen 2.981 N/A LEU 217.A N PHE 224.A O no hydrogen 2.731 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.733 N/A TYR 219.A N PRO 216.A O no hydrogen 2.947 N/A TYR 219.A OH ASP 135.A OD1 no hydrogen 2.569 N/A GLY 220.A N LEU 217.A O no hydrogen 3.168 N/A GLY 221.A N PRO 216.A O no hydrogen 2.890 N/A SER 225.A N ASP 227.A OD2 no hydrogen 3.008 N/A ASP 227.A N SER 225.A OG no hydrogen 3.105 N/A ILE 228.A N SER 225.A O no hydrogen 3.213 N/A CYS 229.A SG.A LEU 72.A O no hydrogen 3.296 N/A CYS 229.A SG.A HIS 77.A O no hydrogen 3.626 N/A CYS 229.A SG.B LEU 72.A O no hydrogen 3.714 N/A GLN 230.A N GLU 226.A O no hydrogen 2.953 N/A GLU 231.A N ASP 227.A O no hydrogen 3.026 N/A TRP 232.A N ILE 228.A O no hydrogen 2.946 N/A TRP 232.A NE1 THR 115.A OG1 no hydrogen 3.010 N/A THR 233.A N CYS 229.A O.A no hydrogen 2.926 N/A THR 233.A N CYS 229.A O.B no hydrogen 2.776 N/A THR 233.A OG1 CYS 229.A O.A no hydrogen 2.671 N/A THR 233.A OG1 CYS 229.A O.B no hydrogen 2.870 N/A ASN 234.A N.A GLN 230.A O no hydrogen 2.920 N/A ASN 234.A N.B GLN 230.A O no hydrogen 2.896 N/A PHE 235.A N GLU 231.A O no hydrogen 3.092 N/A ILE 236.A N TRP 232.A O no hydrogen 2.901 N/A SER 238.A N PHE 235.A O no hydrogen 2.976 N/A SER 238.A N ILE 236.A O no hydrogen 3.015 N/A SER 238.A OG PHE 235.A O no hydrogen 2.718 N/A LEU 242.A N SER 238.A O no hydrogen 2.916 N/A SER 243.A N GLU 239.A O no hydrogen 2.907 N/A SER 243.A OG GLU 239.A O no hydrogen 2.901 N/A SER 244.A N ASP 240.A O no hydrogen 2.813 N/A SER 244.A OG TYR 241.A O no hydrogen 2.815 N/A ILE 245.A N TYR 241.A O no hydrogen 3.197 N/A ILE 245.A N LEU 242.A O no hydrogen 3.361 N/A SER 246.A N SER 243.A O no hydrogen 3.112 N/A SER 246.A OG LEU 242.A O no hydrogen 2.562 N/A GLU 247.A N ALA 61.A O no hydrogen 2.849 N/A