Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5jdi_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 86.A OD1 no hydrogen 2.937 N/A ALA 4.A N ARG 27.A O no hydrogen 2.788 N/A VAL 5.A N VAL 87.A O no hydrogen 2.836 N/A VAL 6.A N VAL 29.A O no hydrogen 3.025 N/A THR 7.A N VAL 89.A O no hydrogen 3.047 N/A THR 7.A OG1 VAL 89.A O no hydrogen 3.425 N/A GLY 8.A N HIS 31.A ND1 no hydrogen 2.965 N/A ALA 9.A N HIS 31.A O no hydrogen 3.004 N/A ARG 15.A N LYS 11.A O no hydrogen 3.109 N/A ARG 15.A NH2 GLU 45.A OE2 no hydrogen 2.813 N/A ALA 16.A N ARG 12.A O no hydrogen 3.107 N/A ILE 17.A N ILE 13.A O no hydrogen 2.922 N/A ALA 18.A N GLY 14.A O no hydrogen 2.905 N/A VAL 19.A N ARG 15.A O no hydrogen 2.869 N/A LYS 20.A N ALA 16.A O no hydrogen 2.955 N/A LYS 20.A NZ ASP 210.A OD1 no hydrogen 3.318 N/A LEU 21.A N ILE 17.A O no hydrogen 2.860 N/A HIS 22.A N ALA 18.A O no hydrogen 2.937 N/A HIS 22.A NE2 THR 53.A OG1 no hydrogen 2.605 N/A GLN 23.A N VAL 19.A O no hydrogen 2.828 N/A THR 24.A N LYS 20.A O no hydrogen 2.991 N/A THR 24.A OG1 LYS 20.A O no hydrogen 2.793 N/A GLY 25.A N HIS 22.A O no hydrogen 2.957 N/A TYR 26.A N LEU 21.A O no hydrogen 2.979 N/A ARG 27.A N PRO 2.A O no hydrogen 2.882 N/A ARG 27.A NE ALA 1.A O no hydrogen 3.365 N/A ARG 27.A NH2 ALA 1.A O no hydrogen 2.874 N/A ARG 27.A NH2 PHE 82.A O no hydrogen 3.121 N/A VAL 28.A N THR 53.A O no hydrogen 2.907 N/A VAL 29.A N ALA 4.A O no hydrogen 2.827 N/A ILE 30.A N VAL 55.A O no hydrogen 2.837 N/A HIS 31.A N VAL 6.A O no hydrogen 3.116 N/A HIS 31.A NE2 ALA 59.A O no hydrogen 2.884 N/A TYR 32.A N CYS 57.A O no hydrogen 3.037 N/A ALA 39.A N SER 35.A O no hydrogen 2.914 N/A VAL 40.A N ALA 36.A O no hydrogen 2.921 N/A SER 41.A N GLU 37.A O no hydrogen 2.876 N/A SER 41.A OG.B GLU 37.A O no hydrogen 3.421 N/A SER 41.A OG.B ALA 38.A O no hydrogen 3.004 N/A LEU 42.A N ALA 38.A O no hydrogen 2.948 N/A ALA 43.A N ALA 39.A O no hydrogen 2.894 N/A ASP 44.A N VAL 40.A O no hydrogen 2.812 N/A GLU 45.A N SER 41.A O no hydrogen 3.014 N/A LEU 46.A N LEU 42.A O no hydrogen 3.019 N/A ASN 47.A N ALA 43.A O no hydrogen 2.818 N/A ASN 47.A ND2 ALA 54.A O no hydrogen 2.961 N/A LYS 48.A N ASP 44.A O no hydrogen 3.016 N/A GLU 49.A N LEU 46.A O no hydrogen 3.124 N/A ARG 50.A N LEU 46.A O no hydrogen 3.058 N/A ARG 50.A NH1 HIS 22.A O no hydrogen 2.982 N/A ARG 50.A NH2 HIS 22.A O no hydrogen 2.985 N/A SER 51.A OG.C ASN 52.A OD1 no hydrogen 2.894 N/A THR 53.A N ASN 47.A OD1 no hydrogen 2.810 N/A THR 53.A OG1 HIS 22.A NE2 no hydrogen 2.605 N/A THR 53.A OG1 ARG 50.A O no hydrogen 2.620 N/A ALA 54.A N ASN 47.A OD1 no hydrogen 2.953 N/A VAL 55.A N VAL 28.A O no hydrogen 2.959 N/A CYS 57.A N ILE 30.A O no hydrogen 2.937 N/A CYS 57.A SG SER 77.A OG.A no hydrogen 3.572 N/A CYS 57.A SG SER 77.A OG.B no hydrogen 3.649 N/A GLN 58.A NE2 HIS 33.A O no hydrogen 3.032 N/A ALA 59.A N TYR 32.A O no hydrogen 2.891 N/A THR 62.A N ASP 60.A OD1 no hydrogen 2.994 N/A THR 62.A OG1 ASP 60.A OD1 no hydrogen 2.710 N/A ASN 63.A N ALA 110.A O no hydrogen 2.901 N/A LEU 67.A N SER 64.A O no hydrogen 2.511 N/A SER 70.A N VAL 66.A O no hydrogen 3.065 N/A SER 70.A OG VAL 66.A O no hydrogen 3.255 N/A CYS 71.A N LEU 67.A O no hydrogen 2.956 N/A CYS 71.A SG LEU 67.A O no hydrogen 3.487 N/A CYS 71.A SG ALA 119.A O no hydrogen 3.985 N/A GLU 72.A N PRO 68.A O no hydrogen 2.957 N/A GLU 73.A N ALA 69.A O no hydrogen 2.911 N/A ILE 74.A N SER 70.A O no hydrogen 3.063 N/A ILE 75.A N CYS 71.A O no hydrogen 3.259 N/A ASN 76.A N GLU 72.A O no hydrogen 2.850 N/A SER 77.A N GLU 73.A O no hydrogen 2.820 N/A SER 77.A OG.A GLU 73.A O no hydrogen 3.003 N/A SER 77.A OG.B ILE 74.A O no hydrogen 2.729 N/A CYS 78.A N ILE 75.A O no hydrogen 3.037 N/A CYS 78.A SG ARG 84.A O no hydrogen 3.410 N/A PHE 79.A N ILE 75.A O no hydrogen 3.263 N/A ARG 80.A N ASN 76.A O no hydrogen 2.792 N/A ARG 80.A NH1.A GLU 73.A OE1 no hydrogen 3.366 N/A ARG 80.A NH1.B GLU 73.A OE2 no hydrogen 3.398 N/A ARG 80.A NH2.A GLU 73.A OE2 no hydrogen 2.947 N/A ALA 81.A N SER 77.A O no hydrogen 3.013 N/A PHE 82.A N CYS 78.A O no hydrogen 2.924 N/A GLY 83.A N PHE 79.A O no hydrogen 2.743 N/A ARG 84.A NE ASP 86.A OD1 no hydrogen 2.854 N/A ARG 84.A NE ASP 86.A OD2 no hydrogen 3.489 N/A ARG 84.A NH2 ASP 86.A OD1 no hydrogen 3.541 N/A ARG 84.A NH2 ASP 86.A OD2 no hydrogen 2.905 N/A CYS 85.A SG VAL 87.A O no hydrogen 3.933 N/A ASP 86.A N ALA 3.A O no hydrogen 2.840 N/A VAL 87.A N ALA 3.A O no hydrogen 3.209 N/A LEU 88.A N SER 134.A O no hydrogen 3.303 N/A VAL 89.A N VAL 5.A O no hydrogen 2.833 N/A ASN 90.A N VAL 136.A O no hydrogen 2.864 N/A ASN 90.A ND2 ASN 137.A OD1 no hydrogen 2.834 N/A ASN 91.A N THR 7.A OG1 no hydrogen 2.977 N/A ASN 91.A ND2 THR 7.A O no hydrogen 3.000 N/A ALA 92.A N THR 7.A OG1 no hydrogen 2.955 N/A SER 93.A OG.A ALA 94.A O no hydrogen 3.290 N/A SER 93.A OG.A ASN 116.A OD1.A no hydrogen 2.732 N/A SER 93.A OG.A ASN 116.A OD1.B no hydrogen 3.318 N/A ALA 94.A N THR 115.A OG1.A no hydrogen 3.183 N/A ALA 94.A N ASN 116.A OD1.B no hydrogen 2.821 N/A TYR 96.A OH GLU 111.A OE1 no hydrogen 2.918 N/A THR 98.A N ALA 148.A O no hydrogen 2.757 N/A THR 98.A OG1 THR 98.A O no hydrogen 2.664 N/A LYS 103.A NZ GLU 111.A OE1 no hydrogen 2.839 N/A THR 104.A OG1 THR 107.A OG1 no hydrogen 3.055 N/A THR 107.A N THR 104.A OG1 no hydrogen 3.049 N/A THR 107.A OG1 THR 104.A OG1 no hydrogen 3.055 N/A GLN 108.A N THR 104.A O no hydrogen 3.007 N/A VAL 109.A N VAL 105.A O no hydrogen 2.847 N/A ALA 110.A N GLU 106.A O no hydrogen 2.977 N/A GLU 111.A N THR 107.A O no hydrogen 2.941 N/A LEU 112.A N GLN 108.A O no hydrogen 2.798 N/A ILE 113.A N VAL 109.A O no hydrogen 2.893 N/A GLY 114.A N VAL 109.A O no hydrogen 3.342 N/A THR 115.A N GLU 111.A O no hydrogen 3.226 N/A THR 115.A OG1.A GLU 111.A O no hydrogen 2.625 N/A THR 115.A OG1.A LEU 112.A O no hydrogen 3.562 N/A THR 115.A OG1.A ASN 116.A OD1.B no hydrogen 2.077 N/A THR 115.A OG1.B GLU 111.A O no hydrogen 2.837 N/A ASN 116.A N LEU 112.A O no hydrogen 3.096 N/A ASN 116.A ND2.A ALA 94.A O no hydrogen 3.062 N/A ASN 116.A ND2.A LEU 112.A O no hydrogen 3.002 N/A ASN 116.A ND2.B ALA 94.A O no hydrogen 2.883 N/A ALA 117.A N ILE 113.A O no hydrogen 2.970 N/A ILE 118.A N ILE 113.A O no hydrogen 2.987 N/A ALA 119.A N GLY 114.A O no hydrogen 2.766 N/A PHE 121.A N ALA 117.A O no hydrogen 3.025 N/A LEU 122.A N ILE 118.A O no hydrogen 2.835 N/A LEU 123.A N ALA 119.A O no hydrogen 2.787 N/A THR 124.A N PRO 120.A O no hydrogen 2.869 N/A THR 124.A OG1 PRO 120.A O no hydrogen 2.694 N/A MET 125.A N PHE 121.A O no hydrogen 2.932 N/A SER 126.A N LEU 122.A O no hydrogen 2.905 N/A SER 126.A OG LEU 122.A O no hydrogen 3.322 N/A PHE 127.A N LEU 123.A O no hydrogen 2.840 N/A ALA 128.A N THR 124.A O no hydrogen 2.932 N/A GLN 129.A N MET 125.A O no hydrogen 2.881 N/A ARG 130.A N SER 126.A O no hydrogen 3.222 N/A ARG 130.A NH1 ASN 76.A OD1 no hydrogen 2.455 N/A GLN 131.A N ALA 128.A O no hydrogen 3.161 N/A GLN 131.A NE2 CYS 85.A O no hydrogen 2.824 N/A GLN 131.A NE2 PHE 127.A O no hydrogen 3.161 N/A SER 134.A N ASP 86.A O no hydrogen 3.050 N/A ILE 135.A N ARG 176.A O no hydrogen 2.813 N/A VAL 136.A N LEU 88.A O no hydrogen 2.875 N/A ASN 137.A N ASN 178.A O no hydrogen 2.838 N/A ASN 137.A ND2 THR 163.A OG1 no hydrogen 2.961 N/A LEU 138.A N ASN 90.A O no hydrogen 2.997 N/A CYS 139.A N VAL 180.A O no hydrogen 2.812 N/A CYS 139.A SG ASN 137.A O no hydrogen 3.653 N/A ALA 141.A N PRO 182.A O no hydrogen 2.907 N/A MET 142.A N ASP 140.A OD1.A no hydrogen 3.012 N/A MET 142.A N ASP 140.A OD1.B no hydrogen 2.689 N/A VAL 143.A N ASP 140.A O no hydrogen 3.189 N/A GLN 145.A N MET 142.A O no hydrogen 2.922 N/A GLN 145.A NE2.A SER 235.A O no hydrogen 3.413 N/A GLN 145.A NE2.B ASP 144.A O no hydrogen 2.588 N/A SER 150.A OG.B THR 98.A O no hydrogen 3.523 N/A LEU 151.A N THR 98.A OG1 no hydrogen 3.203 N/A TYR 152.A OH ASP 140.A OD2.A no hydrogen 2.684 N/A ASN 153.A N PHE 149.A O no hydrogen 2.861 N/A ASN 153.A ND2 VAL 143.A O no hydrogen 2.922 N/A MET 154.A N SER 150.A O no hydrogen 2.799 N/A GLY 155.A N LEU 151.A O no hydrogen 2.990 N/A LYS 156.A N TYR 152.A O no hydrogen 2.975 N/A LYS 156.A NZ ASN 116.A OD1.A no hydrogen 3.171 N/A LYS 156.A NZ LEU 138.A O no hydrogen 2.721 N/A HIS 157.A N ASN 153.A O no hydrogen 2.871 N/A HIS 157.A NE2 VAL 143.A O no hydrogen 2.998 N/A ALA 158.A N MET 154.A O no hydrogen 2.851 N/A LEU 159.A N GLY 155.A O no hydrogen 2.953 N/A VAL 160.A N LYS 156.A O no hydrogen 3.140 N/A GLY 161.A N HIS 157.A O no hydrogen 3.091 N/A LEU 162.A N ALA 158.A O no hydrogen 2.864 N/A THR 163.A N LEU 159.A O no hydrogen 2.860 N/A THR 163.A OG1 LEU 159.A O no hydrogen 2.811 N/A GLN 164.A N VAL 160.A O no hydrogen 3.024 N/A SER 165.A N GLY 161.A O no hydrogen 2.816 N/A SER 165.A OG.A GLY 161.A O no hydrogen 3.222 N/A ALA 166.A N LEU 162.A O no hydrogen 2.774 N/A ALA 167.A N THR 163.A O no hydrogen 2.948 N/A LEU 168.A N GLN 164.A O no hydrogen 3.136 N/A GLU 169.A N SER 165.A O no hydrogen 2.966 N/A LEU 170.A N ALA 166.A O no hydrogen 2.837 N/A ALA 171.A N ALA 167.A O no hydrogen 3.180 N/A TYR 173.A N LEU 170.A O no hydrogen 2.924 N/A GLY 174.A N ALA 171.A O no hydrogen 2.908 N/A ILE 175.A N LEU 170.A O no hydrogen 3.260 N/A ARG 176.A N LEU 133.A O no hydrogen 3.070 N/A ARG 176.A NH1 LEU 215.A O no hydrogen 2.867 N/A ARG 176.A NH1 ILE 223.A O no hydrogen 3.146 N/A ARG 176.A NH2 ASN 132.A OD1 no hydrogen 3.126 N/A ARG 176.A NH2 LEU 215.A O no hydrogen 2.799 N/A VAL 177.A N THR 224.A OG1 no hydrogen 2.938 N/A ASN 178.A N ILE 135.A O no hydrogen 2.932 N/A ASN 178.A ND2 ILE 223.A O no hydrogen 3.022 N/A GLY 179.A N SER 226.A O no hydrogen 2.825 N/A VAL 180.A N ASN 137.A O no hydrogen 2.974 N/A ALA 181.A N ILE 228.A O no hydrogen 2.858 N/A ASP 190.A N GLU 186.A O no hydrogen 2.767 N/A LYS 191.A N GLU 187.A O no hydrogen 3.115 N/A TRP 192.A N GLU 188.A O no hydrogen 3.505 N/A ARG 193.A N LYS 189.A O no hydrogen 3.235 N/A ARG 194.A N ASP 190.A O no hydrogen 3.069 N/A LYS 195.A N TRP 192.A O no hydrogen 3.251 N/A VAL 196.A N ARG 193.A O no hydrogen 3.242 N/A LEU 198.A N GLY 232.A O no hydrogen 2.966 N/A GLY 199.A N VAL 196.A O no hydrogen 2.756 N/A ARG 201.A N LEU 198.A O no hydrogen 3.160 N/A SER 204.A N GLN 207.A OE1 no hydrogen 2.709 N/A GLU 206.A N GLU 206.A OE1 no hydrogen 2.651 N/A GLN 207.A N SER 204.A O no hydrogen 3.159 N/A GLN 207.A N SER 204.A OG no hydrogen 3.117 N/A GLN 207.A NE2 GLU 202.A O no hydrogen 3.168 N/A ALA 209.A N ALA 205.A O no hydrogen 2.898 N/A ASP 210.A N GLU 206.A O no hydrogen 2.870 N/A ALA 211.A N GLN 207.A O no hydrogen 3.326 N/A VAL 212.A N ILE 208.A O no hydrogen 3.178 N/A ILE 213.A N ALA 209.A O no hydrogen 2.855 N/A PHE 214.A N ASP 210.A O no hydrogen 3.007 N/A LEU 215.A N ALA 211.A O no hydrogen 3.001 N/A VAL 216.A N VAL 212.A O no hydrogen 3.031 N/A SER 217.A N PHE 214.A O no hydrogen 3.015 N/A SER 217.A OG PHE 214.A O no hydrogen 2.714 N/A SER 219.A N SER 217.A OG no hydrogen 3.025 N/A ALA 220.A N SER 217.A O no hydrogen 3.084 N/A GLN 221.A N GLY 218.A O no hydrogen 3.428 N/A ILE 223.A N ALA 220.A O no hydrogen 2.947 N/A THR 224.A OG1 VAL 177.A O no hydrogen 3.552 N/A GLY 225.A N VAL 177.A O no hydrogen 2.721 N/A SER 226.A N ASN 178.A OD1 no hydrogen 2.950 N/A ILE 228.A N GLY 179.A O no hydrogen 2.873 N/A LYS 229.A NZ SER 235.A OG no hydrogen 3.402 N/A VAL 230.A N ALA 181.A O no hydrogen 2.939 N/A GLY 233.A N ASP 231.A OD1 no hydrogen 2.886 N/A LEU 234.A N ASP 231.A O no hydrogen 3.025 N/A SER 235.A N ASP 231.A OD2 no hydrogen 2.887 N/A SER 235.A OG ASP 231.A OD2 no hydrogen 2.846 N/A LEU 236.A N GLY 233.A O no hydrogen 2.943 N/A VAL 237.A N LEU 234.A O no hydrogen 3.010 N/A HIS 238.A ND1 ALA 239.A OXT no hydrogen 2.731 N/A