Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cm8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 87.A OD2 no hydrogen 2.944 N/A ALA 5.A N ARG 28.A O no hydrogen 2.726 N/A VAL 6.A N VAL 88.A O no hydrogen 2.854 N/A VAL 7.A N VAL 30.A O no hydrogen 3.108 N/A THR 8.A N VAL 90.A O no hydrogen 3.019 N/A THR 8.A OG1 VAL 90.A O no hydrogen 3.400 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.994 N/A ALA 10.A N HIS 32.A O no hydrogen 2.875 N/A LYS 12.A NZ SER 36.A OG no hydrogen 3.207 N/A ARG 13.A NH1 LEU 190.A O no hydrogen 2.808 N/A ARG 13.A NH2 LEU 189.A O no hydrogen 2.926 N/A ARG 13.A NH2 LEU 190.A O no hydrogen 3.465 N/A ARG 16.A N LYS 12.A O no hydrogen 2.994 N/A ARG 16.A NH2 GLU 46.A OE2 no hydrogen 3.049 N/A ALA 17.A N ARG 13.A O no hydrogen 3.108 N/A ILE 18.A N ILE 14.A O no hydrogen 2.937 N/A ALA 19.A N GLY 15.A O no hydrogen 3.016 N/A VAL 20.A N ARG 16.A O no hydrogen 2.899 N/A LYS 21.A N ALA 17.A O no hydrogen 3.020 N/A LYS 21.A NZ GLU 216.A OE2 no hydrogen 3.318 N/A LYS 21.A NZ ASP 220.A OD1 no hydrogen 3.301 N/A LEU 22.A N ILE 18.A O no hydrogen 2.959 N/A HIS 23.A N ALA 19.A O no hydrogen 2.873 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.841 N/A GLN 24.A N VAL 20.A O no hydrogen 2.789 N/A THR 25.A N LYS 21.A O no hydrogen 2.950 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.595 N/A GLY 26.A N HIS 23.A O no hydrogen 2.937 N/A TYR 27.A N LEU 22.A O no hydrogen 2.957 N/A ARG 28.A N PRO 3.A O no hydrogen 2.898 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.393 N/A ARG 28.A NH2 GLU 1.A OE2 no hydrogen 3.038 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.864 N/A ARG 28.A NH2 PHE 83.A O no hydrogen 3.137 N/A VAL 29.A N THR 54.A O no hydrogen 2.936 N/A VAL 30.A N ALA 5.A O no hydrogen 2.769 N/A ILE 31.A N VAL 56.A O no hydrogen 2.743 N/A HIS 32.A N VAL 7.A O no hydrogen 3.065 N/A HIS 32.A NE2 ALA 60.A O no hydrogen 2.747 N/A TYR 33.A N CYS 58.A O no hydrogen 3.006 N/A ALA 37.A N ASN 35.A O no hydrogen 2.982 N/A ALA 40.A N SER 36.A O no hydrogen 3.053 N/A VAL 41.A N ALA 37.A O no hydrogen 2.957 N/A SER 42.A N GLU 38.A O no hydrogen 2.875 N/A LEU 43.A N ALA 39.A O no hydrogen 2.921 N/A ALA 44.A N ALA 40.A O no hydrogen 2.914 N/A ASP 45.A N VAL 41.A O no hydrogen 2.905 N/A GLU 46.A N SER 42.A O no hydrogen 3.077 N/A LEU 47.A N LEU 43.A O no hydrogen 2.991 N/A ASN 48.A N ALA 44.A O no hydrogen 2.818 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.917 N/A LYS 49.A N ASP 45.A O no hydrogen 2.978 N/A LYS 49.A NZ ASP 45.A O no hydrogen 3.536 N/A GLU 50.A N GLU 46.A O no hydrogen 3.199 N/A GLU 50.A N LEU 47.A O no hydrogen 3.048 N/A ARG 51.A N LEU 47.A O no hydrogen 2.939 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 3.022 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 3.204 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.827 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.841 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.602 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.912 N/A VAL 56.A N VAL 29.A O no hydrogen 3.139 N/A CYS 58.A N ILE 31.A O no hydrogen 2.971 N/A CYS 58.A SG SER 78.A OG no hydrogen 3.622 N/A GLN 59.A NE2 HIS 34.A O no hydrogen 3.130 N/A ALA 60.A N TYR 33.A O no hydrogen 2.989 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.014 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 2.551 N/A THR 63.A OG1 ASP 61.A OD2 no hydrogen 3.351 N/A ASN 64.A N ALA 112.A O no hydrogen 2.844 N/A VAL 67.A N SER 65.A OG no hydrogen 3.128 N/A LEU 68.A N SER 65.A O no hydrogen 3.186 N/A SER 71.A N VAL 67.A O no hydrogen 2.929 N/A SER 71.A OG VAL 67.A O no hydrogen 3.393 N/A CYS 72.A N LEU 68.A O no hydrogen 2.881 N/A CYS 72.A SG LEU 68.A O no hydrogen 3.465 N/A CYS 72.A SG ALA 121.A O no hydrogen 3.986 N/A GLU 73.A N PRO 69.A O no hydrogen 2.844 N/A GLU 74.A N ALA 70.A O no hydrogen 2.945 N/A ILE 75.A N SER 71.A O no hydrogen 3.064 N/A ILE 76.A N CYS 72.A O no hydrogen 3.247 N/A ASN 77.A N GLU 73.A O no hydrogen 2.850 N/A SER 78.A N GLU 74.A O no hydrogen 2.806 N/A SER 78.A OG GLU 74.A O no hydrogen 2.920 N/A SER 78.A OG GLU 74.A OE2 no hydrogen 3.341 N/A CYS 79.A N ILE 75.A O no hydrogen 3.327 N/A CYS 79.A N ILE 76.A O no hydrogen 2.983 N/A CYS 79.A SG ARG 85.A O no hydrogen 3.366 N/A PHE 80.A N ILE 76.A O no hydrogen 3.231 N/A ARG 81.A N ASN 77.A O no hydrogen 2.837 N/A ARG 81.A NH1 GLU 74.A OE2 no hydrogen 2.999 N/A ARG 81.A NH2 GLU 74.A OE2 no hydrogen 3.108 N/A ALA 82.A N SER 78.A O no hydrogen 3.133 N/A PHE 83.A N CYS 79.A O no hydrogen 2.846 N/A GLY 84.A N PHE 80.A O no hydrogen 2.955 N/A ARG 85.A NE ASP 87.A OD2 no hydrogen 2.697 N/A ARG 85.A NH1 GLU 1.A OE1 no hydrogen 3.240 N/A ARG 85.A NH2 ASP 87.A OD1 no hydrogen 2.815 N/A ARG 85.A NH2 ASP 87.A OD2 no hydrogen 3.388 N/A CYS 86.A SG VAL 88.A O no hydrogen 3.897 N/A ASP 87.A N ALA 4.A O no hydrogen 2.893 N/A VAL 88.A N ALA 4.A O no hydrogen 3.275 N/A LEU 89.A N SER 137.A O no hydrogen 3.152 N/A VAL 90.A N VAL 6.A O no hydrogen 2.735 N/A ASN 91.A N VAL 139.A O no hydrogen 2.917 N/A ASN 91.A ND2 ASN 140.A OD1 no hydrogen 2.893 N/A ASN 92.A N THR 8.A OG1 no hydrogen 2.938 N/A ASN 92.A ND2 THR 8.A O no hydrogen 3.151 N/A ALA 93.A N THR 8.A OG1 no hydrogen 2.898 N/A SER 94.A OG ALA 95.A O no hydrogen 3.266 N/A SER 94.A OG ASN 118.A OD1 no hydrogen 2.743 N/A ALA 95.A N THR 117.A OG1 no hydrogen 3.010 N/A TYR 97.A OH GLU 113.A OE1 no hydrogen 2.642 N/A THR 99.A N ALA 151.A O no hydrogen 2.672 N/A THR 99.A OG1 THR 99.A O no hydrogen 2.610 N/A GLN 103.A NE2 PRO 100.A O no hydrogen 2.703 N/A LYS 105.A NZ GLU 113.A OE1 no hydrogen 2.565 N/A THR 106.A OG1 THR 109.A OG1 no hydrogen 2.960 N/A THR 109.A N THR 106.A OG1 no hydrogen 3.036 N/A THR 109.A OG1 THR 106.A OG1 no hydrogen 2.960 N/A GLN 110.A N THR 106.A O no hydrogen 3.020 N/A VAL 111.A N VAL 107.A O no hydrogen 2.830 N/A ALA 112.A N GLU 108.A O no hydrogen 2.978 N/A GLU 113.A N THR 109.A O no hydrogen 2.918 N/A LEU 114.A N GLN 110.A O no hydrogen 2.878 N/A ILE 115.A N VAL 111.A O no hydrogen 2.863 N/A GLY 116.A N ALA 112.A O no hydrogen 2.908 N/A THR 117.A N GLU 113.A O no hydrogen 3.030 N/A THR 117.A OG1 GLU 113.A O no hydrogen 2.649 N/A ASN 118.A N LEU 114.A O no hydrogen 3.353 N/A ASN 118.A ND2 ALA 95.A O no hydrogen 3.117 N/A ASN 118.A ND2 LEU 114.A O no hydrogen 2.872 N/A ALA 119.A N ILE 115.A O no hydrogen 3.021 N/A ILE 120.A N ILE 115.A O no hydrogen 2.976 N/A ALA 121.A N GLY 116.A O no hydrogen 2.691 N/A PHE 123.A N ALA 119.A O no hydrogen 3.033 N/A LEU 124.A N ILE 120.A O no hydrogen 2.876 N/A LEU 125.A N ALA 121.A O no hydrogen 2.672 N/A THR 126.A N PRO 122.A O no hydrogen 2.888 N/A THR 126.A OG1 PRO 122.A O no hydrogen 2.675 N/A MET 127.A N PHE 123.A O no hydrogen 2.946 N/A SER 128.A N LEU 124.A O no hydrogen 3.001 N/A SER 128.A OG LEU 124.A O no hydrogen 3.443 N/A PHE 129.A N LEU 125.A O no hydrogen 2.880 N/A ALA 130.A N THR 126.A O no hydrogen 2.940 N/A GLN 131.A N MET 127.A O no hydrogen 2.865 N/A ARG 132.A N SER 128.A O no hydrogen 3.128 N/A ARG 132.A NE ASN 77.A OD1 no hydrogen 2.973 N/A ARG 132.A NH2 ASN 77.A OD1 no hydrogen 2.698 N/A GLN 133.A N ALA 130.A O no hydrogen 3.225 N/A GLN 133.A NE2 CYS 86.A O no hydrogen 2.899 N/A GLN 133.A NE2 PHE 129.A O no hydrogen 3.163 N/A ASN 135.A ND2 VAL 226.A O no hydrogen 2.704 N/A SER 137.A N ASP 87.A O no hydrogen 3.007 N/A ILE 138.A N ARG 179.A O no hydrogen 2.924 N/A VAL 139.A N LEU 89.A O no hydrogen 2.944 N/A ASN 140.A N ASN 181.A O no hydrogen 2.920 N/A ASN 140.A ND2 THR 166.A OG1 no hydrogen 2.917 N/A LEU 141.A N ASN 91.A O no hydrogen 2.964 N/A CYS 142.A N VAL 183.A O no hydrogen 2.744 N/A CYS 142.A SG ASN 140.A O no hydrogen 3.577 N/A ALA 144.A N PRO 185.A O no hydrogen 2.840 N/A MET 145.A N ASP 143.A OD1 no hydrogen 2.814 N/A VAL 146.A N ASP 143.A O no hydrogen 3.378 N/A GLN 148.A N MET 145.A O no hydrogen 2.928 N/A GLN 148.A NE2 SER 245.A O no hydrogen 2.904 N/A LEU 154.A N THR 99.A OG1 no hydrogen 3.355 N/A TYR 155.A OH ASP 143.A OD2 no hydrogen 2.554 N/A ASN 156.A N.A PHE 152.A O no hydrogen 2.886 N/A ASN 156.A N.B PHE 152.A O no hydrogen 2.906 N/A ASN 156.A ND2.A VAL 146.A O no hydrogen 3.594 N/A ASN 156.A ND2.B VAL 146.A O no hydrogen 2.642 N/A MET 157.A N SER 153.A O no hydrogen 2.713 N/A GLY 158.A N LEU 154.A O no hydrogen 2.956 N/A LYS 159.A N TYR 155.A O no hydrogen 3.015 N/A LYS 159.A NZ ASN 118.A OD1 no hydrogen 3.025 N/A LYS 159.A NZ LEU 141.A O no hydrogen 2.847 N/A HIS 160.A N ASN 156.A O.A no hydrogen 2.860 N/A HIS 160.A N ASN 156.A O.B no hydrogen 2.899 N/A HIS 160.A NE2 VAL 146.A O no hydrogen 3.095 N/A ALA 161.A N MET 157.A O no hydrogen 2.943 N/A LEU 162.A N GLY 158.A O no hydrogen 2.928 N/A VAL 163.A N LYS 159.A O no hydrogen 3.095 N/A GLY 164.A N HIS 160.A O no hydrogen 3.078 N/A LEU 165.A N ALA 161.A O no hydrogen 2.861 N/A THR 166.A N LEU 162.A O no hydrogen 2.909 N/A THR 166.A OG1 LEU 162.A O no hydrogen 2.746 N/A GLN 167.A N VAL 163.A O no hydrogen 3.042 N/A SER 168.A N GLY 164.A O no hydrogen 2.809 N/A SER 168.A OG GLY 164.A O no hydrogen 3.202 N/A ALA 169.A N LEU 165.A O no hydrogen 2.689 N/A ALA 170.A N THR 166.A O no hydrogen 2.951 N/A LEU 171.A N GLN 167.A O no hydrogen 3.091 N/A GLU 172.A N SER 168.A O no hydrogen 2.987 N/A LEU 173.A N ALA 169.A O no hydrogen 2.877 N/A ALA 174.A N ALA 170.A O no hydrogen 3.276 N/A TYR 176.A N LEU 173.A O no hydrogen 2.971 N/A GLY 177.A N ALA 174.A O no hydrogen 2.854 N/A ILE 178.A N LEU 173.A O no hydrogen 3.220 N/A ARG 179.A N LEU 136.A O no hydrogen 3.208 N/A ARG 179.A NH1 LEU 225.A O no hydrogen 2.975 N/A ARG 179.A NH1 ILE 233.A O no hydrogen 3.163 N/A ARG 179.A NH2 ASN 135.A OD1 no hydrogen 2.995 N/A ARG 179.A NH2 LEU 225.A O no hydrogen 2.973 N/A VAL 180.A N THR 234.A OG1 no hydrogen 2.969 N/A ASN 181.A N ILE 138.A O no hydrogen 2.958 N/A ASN 181.A ND2 ILE 233.A O no hydrogen 3.017 N/A GLY 182.A N SER 236.A O no hydrogen 2.812 N/A VAL 183.A N ASN 140.A O no hydrogen 2.952 N/A ALA 184.A N ILE 238.A O no hydrogen 2.847 N/A SER 188.A OG ALA 213.A O no hydrogen 2.798 N/A MET 194.A N PRO 191.A O no hydrogen 2.948 N/A LYS 199.A N GLY 195.A O no hydrogen 3.076 N/A ASP 200.A N GLU 196.A O no hydrogen 2.965 N/A LYS 201.A N GLU 197.A O no hydrogen 3.102 N/A TRP 202.A N GLU 198.A O no hydrogen 3.296 N/A ARG 203.A N LYS 199.A O no hydrogen 2.855 N/A ARG 203.A NE GLU 212.A OE1 no hydrogen 2.810 N/A ARG 203.A NE GLU 212.A OE2 no hydrogen 3.415 N/A ARG 203.A NH1 GLU 196.A OE2 no hydrogen 2.807 N/A ARG 203.A NH1 ASP 200.A OD1 no hydrogen 2.766 N/A ARG 203.A NH2 GLU 212.A OE2 no hydrogen 2.790 N/A ARG 204.A N ASP 200.A O no hydrogen 2.896 N/A LYS 205.A N TRP 202.A O no hydrogen 2.992 N/A VAL 206.A N ARG 203.A O no hydrogen 3.170 N/A LEU 208.A N GLY 242.A O no hydrogen 3.030 N/A GLY 209.A N PRO 207.A O no hydrogen 3.133 N/A ARG 210.A N VAL 206.A O no hydrogen 2.953 N/A ARG 210.A NH1 ARG 204.A O no hydrogen 2.859 N/A GLU 212.A N GLU 212.A OE1 no hydrogen 2.672 N/A ALA 213.A N VAL 187.A O no hydrogen 2.935 N/A SER 214.A N GLN 217.A OE1 no hydrogen 2.970 N/A GLN 217.A N SER 214.A OG no hydrogen 3.085 N/A ILE 218.A N SER 214.A O no hydrogen 3.282 N/A ALA 219.A N ALA 215.A O no hydrogen 3.003 N/A ASP 220.A N GLU 216.A O no hydrogen 2.813 N/A ALA 221.A N ILE 218.A O no hydrogen 3.144 N/A VAL 222.A N ILE 218.A O no hydrogen 3.274 N/A ILE 223.A N ALA 219.A O no hydrogen 2.918 N/A PHE 224.A N ASP 220.A O no hydrogen 2.962 N/A LEU 225.A N ALA 221.A O no hydrogen 3.015 N/A VAL 226.A N VAL 222.A O no hydrogen 2.902 N/A SER 227.A N PHE 224.A O no hydrogen 2.997 N/A SER 227.A OG PHE 224.A O no hydrogen 2.711 N/A SER 229.A N SER 227.A OG no hydrogen 3.147 N/A ALA 230.A N SER 227.A O no hydrogen 3.185 N/A ILE 233.A N ALA 230.A O no hydrogen 2.941 N/A GLY 235.A N VAL 180.A O no hydrogen 2.784 N/A SER 236.A N ASN 181.A OD1 no hydrogen 2.966 N/A ILE 238.A N GLY 182.A O no hydrogen 2.938 N/A LYS 239.A NZ SER 245.A OG no hydrogen 3.209 N/A VAL 240.A N ALA 184.A O no hydrogen 2.857 N/A GLY 243.A N ASP 241.A OD1 no hydrogen 2.914 N/A LEU 244.A N ASP 241.A O no hydrogen 3.023 N/A SER 245.A N ASP 241.A OD2 no hydrogen 2.904 N/A SER 245.A OG ASP 241.A OD2 no hydrogen 2.633 N/A LEU 246.A N GLY 243.A O no hydrogen 2.988 N/A VAL 247.A N LEU 244.A O no hydrogen 3.047 N/A HIS 248.A ND1 ALA 249.A OXT no hydrogen 2.617 N/A