Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n5l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ASP 81.A OD2 no hydrogen 3.121 N/A ALA 4.A N ARG 27.A O no hydrogen 2.923 N/A TYR 5.A N VAL 82.A O no hydrogen 2.768 N/A TYR 5.A OH SER 56.A OG no hydrogen 2.760 N/A VAL 6.A N VAL 29.A O no hydrogen 2.965 N/A THR 7.A N ILE 84.A O no hydrogen 3.007 N/A THR 7.A OG1 ILE 84.A O no hydrogen 3.496 N/A GLY 9.A N GLY 31.A O no hydrogen 2.997 N/A THR 15.A N GLY 11.A O no hydrogen 2.903 N/A THR 15.A OG1 GLY 9.A O no hydrogen 3.479 N/A THR 15.A OG1 GLY 11.A O no hydrogen 2.911 N/A ALA 16.A N GLY 12.A O no hydrogen 3.373 N/A ILE 17.A N ILE 13.A O no hydrogen 2.932 N/A CYS 18.A N GLY 14.A O no hydrogen 2.863 N/A CYS 18.A SG GLY 9.A O no hydrogen 3.589 N/A CYS 18.A SG GLY 14.A O no hydrogen 3.314 N/A GLN 19.A N THR 15.A O no hydrogen 2.849 N/A GLN 19.A NE2 GLN 46.A OE1 no hydrogen 2.702 N/A ARG 20.A N ALA 16.A O no hydrogen 3.170 N/A ARG 20.A NE ASP 24.A OD1 no hydrogen 3.013 N/A ARG 20.A NE ASP 24.A OD2 no hydrogen 3.419 N/A LEU 21.A N ILE 17.A O no hydrogen 3.010 N/A ALA 22.A N CYS 18.A O no hydrogen 2.929 N/A LYS 23.A N GLN 19.A O no hydrogen 2.720 N/A ASP 24.A N ARG 20.A O no hydrogen 2.855 N/A GLY 25.A N LEU 21.A O no hydrogen 2.957 N/A GLY 25.A N ALA 22.A O no hydrogen 3.071 N/A PHE 26.A N LEU 21.A O no hydrogen 2.875 N/A ARG 27.A N ARG 2.A O no hydrogen 2.822 N/A VAL 29.A N ALA 4.A O no hydrogen 2.849 N/A ALA 30.A N ILE 54.A O no hydrogen 2.726 N/A GLY 31.A N VAL 6.A O no hydrogen 2.857 N/A CYS 32.A N SER 56.A O no hydrogen 2.884 N/A CYS 32.A SG GLY 33.A O no hydrogen 3.903 N/A ASN 35.A N GLU 57.A OE1 no hydrogen 2.791 N/A SER 36.A N GLU 57.A OE2 no hydrogen 3.271 N/A ARG 38.A N SER 36.A OG no hydrogen 2.908 N/A ARG 39.A N SER 36.A OG no hydrogen 2.987 N/A ARG 39.A NE GLU 57.A OE2 no hydrogen 2.927 N/A TRP 42.A N ARG 38.A O no hydrogen 2.907 N/A TRP 42.A NE1 THR 15.A OG1 no hydrogen 2.851 N/A LEU 43.A N ARG 39.A O no hydrogen 2.975 N/A GLU 44.A N GLU 40.A O no hydrogen 3.399 N/A GLN 45.A N LYS 41.A O no hydrogen 2.983 N/A GLN 46.A N TRP 42.A O no hydrogen 2.776 N/A LYS 47.A N LEU 43.A O no hydrogen 2.917 N/A ALA 48.A N GLU 44.A O no hydrogen 2.891 N/A LEU 49.A N GLN 45.A O no hydrogen 3.167 N/A LEU 49.A N GLN 46.A O no hydrogen 3.098 N/A GLY 50.A N LYS 47.A O no hydrogen 2.724 N/A PHE 51.A N GLN 46.A O no hydrogen 3.058 N/A ILE 54.A N VAL 28.A O no hydrogen 3.162 N/A SER 56.A N ALA 30.A O no hydrogen 2.851 N/A SER 56.A OG TYR 5.A OH no hydrogen 2.760 N/A GLY 58.A N CYS 32.A O no hydrogen 3.018 N/A ASN 59.A N SER 65.A OG no hydrogen 2.781 N/A ALA 61.A N ASN 59.A OD1 no hydrogen 2.834 N/A ASP 62.A N ASN 59.A O no hydrogen 2.759 N/A SER 65.A N ASP 62.A OD1 no hydrogen 2.750 N/A THR 66.A N ASP 62.A O no hydrogen 2.916 N/A THR 66.A OG1 ASN 59.A O no hydrogen 3.047 N/A THR 66.A OG1 ASP 62.A O no hydrogen 3.020 N/A LYS 67.A N TRP 63.A O no hydrogen 2.677 N/A LYS 67.A NZ ASP 71.A OD2 no hydrogen 2.999 N/A THR 68.A N ASP 64.A O no hydrogen 2.890 N/A THR 68.A OG1 ASP 64.A O no hydrogen 2.956 N/A ALA 69.A N SER 65.A O no hydrogen 3.021 N/A PHE 70.A N THR 66.A O no hydrogen 3.096 N/A ASP 71.A N LYS 67.A O no hydrogen 2.780 N/A LYS 72.A N THR 68.A O no hydrogen 3.031 N/A LYS 72.A NZ GLU 76.A OE1 no hydrogen 2.697 N/A LYS 72.A NZ GLU 76.A OE2 no hydrogen 3.089 N/A VAL 73.A N ALA 69.A O no hydrogen 3.144 N/A LYS 74.A N PHE 70.A O no hydrogen 2.808 N/A LYS 74.A NZ GLN 120.A O no hydrogen 2.649 N/A SER 75.A N ASP 71.A O no hydrogen 3.001 N/A GLU 76.A N LYS 72.A O no hydrogen 2.909 N/A VAL 77.A N VAL 73.A O no hydrogen 2.713 N/A GLY 78.A N VAL 73.A O no hydrogen 2.934 N/A ASP 81.A N ILE 3.A O no hydrogen 2.725 N/A VAL 82.A N ILE 3.A O no hydrogen 3.087 N/A LEU 83.A N ARG 132.A O no hydrogen 2.811 N/A ILE 84.A N TYR 5.A O no hydrogen 2.765 N/A ASN 85.A N VAL 134.A O no hydrogen 2.830 N/A ASN 86.A N THR 7.A OG1 no hydrogen 2.912 N/A ASN 86.A N ILE 84.A O no hydrogen 3.160 N/A ASN 86.A ND2 GLY 8.A O no hydrogen 3.042 N/A ALA 87.A N THR 7.A OG1 no hydrogen 2.972 N/A ARG 91.A NH2 THR 90.A O no hydrogen 3.071 N/A VAL 93.A N GLY 147.A O no hydrogen 3.018 N/A LYS 97.A N VAL 94.A O no hydrogen 2.894 N/A MET 98.A N PHE 95.A O no hydrogen 3.159 N/A THR 99.A N ASP 102.A OD2 no hydrogen 3.213 N/A ARG 100.A NE ASP 104.A OD1 no hydrogen 3.127 N/A ARG 100.A NE ASP 104.A OD2 no hydrogen 3.464 N/A ARG 100.A NH2 ASP 104.A OD1 no hydrogen 3.472 N/A ARG 100.A NH2 ASP 104.A OD2 no hydrogen 3.010 N/A ASP 102.A N THR 99.A OG1 no hydrogen 3.051 N/A TRP 103.A N THR 99.A O no hydrogen 3.046 N/A ASP 104.A N ARG 100.A O no hydrogen 2.731 N/A ALA 105.A N ALA 101.A O no hydrogen 3.003 N/A ILE 107.A N TRP 103.A O no hydrogen 3.004 N/A ASP 108.A N ASP 104.A O no hydrogen 2.767 N/A THR 109.A N ALA 105.A O no hydrogen 3.150 N/A THR 109.A OG1 ALA 105.A O no hydrogen 2.861 N/A ASN 110.A N VAL 106.A O no hydrogen 2.890 N/A LEU 111.A N ILE 107.A O no hydrogen 2.870 N/A THR 112.A N ILE 107.A O no hydrogen 3.001 N/A THR 112.A OG1 ILE 107.A O no hydrogen 3.553 N/A THR 112.A OG1 ASP 108.A OD1 no hydrogen 3.246 N/A SER 113.A N ASP 108.A O no hydrogen 3.224 N/A SER 113.A OG THR 109.A O no hydrogen 2.731 N/A LEU 114.A N LEU 111.A O no hydrogen 2.730 N/A ASN 116.A N THR 112.A O no hydrogen 3.108 N/A ASN 116.A ND2 VAL 60.A O no hydrogen 2.915 N/A VAL 117.A N SER 113.A O no hydrogen 2.990 N/A THR 118.A N LEU 114.A O no hydrogen 3.095 N/A THR 118.A OG1 ASN 85.A OD1 no hydrogen 3.071 N/A THR 118.A OG1 LEU 114.A O no hydrogen 2.693 N/A LYS 119.A N PHE 115.A O no hydrogen 3.059 N/A GLN 120.A N VAL 117.A O no hydrogen 2.879 N/A GLN 120.A NE2 ASN 116.A O no hydrogen 2.806 N/A VAL 121.A N THR 118.A O no hydrogen 3.283 N/A ILE 122.A N THR 118.A O no hydrogen 3.086 N/A MET 125.A N VAL 121.A O no hydrogen 3.266 N/A ALA 126.A N ILE 122.A O no hydrogen 3.056 N/A ASP 127.A N ASP 123.A O no hydrogen 2.954 N/A ARG 128.A N GLY 124.A O no hydrogen 2.871 N/A ARG 128.A NE ASP 81.A OD1 no hydrogen 3.446 N/A ARG 128.A NH1 GLU 79.A OE1 no hydrogen 2.957 N/A ARG 128.A NH2 ASP 81.A OD1 no hydrogen 3.530 N/A GLY 129.A N ALA 126.A O no hydrogen 3.163 N/A TRP 130.A N MET 125.A O no hydrogen 3.213 N/A GLY 131.A N GLY 173.A O no hydrogen 3.127 N/A ARG 132.A N ASP 81.A O no hydrogen 3.102 N/A ARG 132.A NE LEU 222.A O no hydrogen 2.938 N/A ARG 132.A NE SER 224.A O no hydrogen 3.277 N/A ARG 132.A NE SER 227.A OG no hydrogen 3.253 N/A ARG 132.A NH1 GLY 131.A O no hydrogen 3.068 N/A ARG 132.A NH2 SER 224.A O no hydrogen 2.974 N/A ILE 133.A N THR 175.A O no hydrogen 2.906 N/A VAL 134.A N LEU 83.A O no hydrogen 2.800 N/A ASN 135.A N ASN 177.A O no hydrogen 2.887 N/A ILE 136.A N ASN 85.A O no hydrogen 3.041 N/A SER 137.A N VAL 179.A O no hydrogen 2.836 N/A SER 137.A OG SER 138.A O no hydrogen 3.471 N/A SER 137.A OG LYS 155.A O no hydrogen 2.884 N/A SER 138.A N SER 137.A OG no hydrogen 2.507 N/A VAL 139.A N PRO 181.A O no hydrogen 2.841 N/A ASN 140.A N SER 138.A OG no hydrogen 2.837 N/A ASN 140.A ND2 GLN 148.A OE1 no hydrogen 2.802 N/A GLY 141.A N SER 138.A O no hydrogen 2.847 N/A GLN 142.A N VAL 139.A O no hydrogen 3.001 N/A GLN 142.A NE2 ASP 234.A OD2 no hydrogen 2.984 N/A GLN 142.A NE2 SER 236.A OG no hydrogen 2.921 N/A LYS 143.A N VAL 139.A O no hydrogen 3.019 N/A LYS 143.A NZ ASN 140.A OD1 no hydrogen 3.260 N/A LYS 143.A NZ GLY 144.A O no hydrogen 3.164 N/A GLN 145.A NE2 PHE 146.A O no hydrogen 3.306 N/A GLN 148.A N GLN 145.A O no hydrogen 2.890 N/A GLN 148.A NE2 ASP 92.A OD1 no hydrogen 2.943 N/A ASN 150.A ND2 ARG 91.A O no hydrogen 3.001 N/A ASN 150.A ND2 ASP 102.A O no hydrogen 3.030 N/A TYR 151.A N ASN 150.A OD1 no hydrogen 2.886 N/A SER 152.A N GLN 148.A O no hydrogen 2.744 N/A SER 152.A OG ASN 140.A O no hydrogen 3.110 N/A SER 152.A OG GLN 148.A O no hydrogen 2.876 N/A THR 153.A N THR 149.A O no hydrogen 3.351 N/A THR 153.A OG1 THR 149.A O no hydrogen 2.620 N/A ALA 154.A N ASN 150.A O no hydrogen 3.050 N/A LYS 155.A N TYR 151.A O no hydrogen 2.931 N/A LYS 155.A NZ ILE 136.A O no hydrogen 2.688 N/A ALA 156.A N SER 152.A O no hydrogen 3.052 N/A GLY 157.A N THR 153.A O no hydrogen 2.912 N/A LEU 158.A N ALA 154.A O no hydrogen 2.840 N/A HIS 159.A N ALA 156.A O no hydrogen 3.098 N/A HIS 159.A ND1 THR 178.A OG1 no hydrogen 2.839 N/A GLY 160.A N ALA 156.A O no hydrogen 3.384 N/A PHE 161.A N GLY 157.A O no hydrogen 3.043 N/A THR 162.A N LEU 158.A O no hydrogen 2.944 N/A THR 162.A OG1 ASN 135.A OD1 no hydrogen 2.957 N/A THR 162.A OG1 LEU 158.A O no hydrogen 3.318 N/A THR 162.A OG1 THR 178.A OG1 no hydrogen 2.655 N/A MET 163.A N HIS 159.A O no hydrogen 3.032 N/A ALA 164.A N GLY 160.A O no hydrogen 3.166 N/A LEU 165.A N PHE 161.A O no hydrogen 2.844 N/A ALA 166.A N THR 162.A O no hydrogen 2.918 N/A GLN 167.A N MET 163.A O no hydrogen 3.334 N/A GLU 168.A N LEU 165.A O no hydrogen 2.923 N/A VAL 169.A N LEU 165.A O no hydrogen 3.249 N/A LYS 172.A N VAL 169.A O no hydrogen 2.871 N/A GLY 173.A N ALA 170.A O no hydrogen 3.490 N/A THR 175.A N GLY 131.A O no hydrogen 3.310 N/A VAL 176.A N THR 231.A OG1 no hydrogen 2.963 N/A ASN 177.A N ILE 133.A O no hydrogen 3.073 N/A ASN 177.A ND2 SER 230.A O no hydrogen 3.078 N/A THR 178.A N ALA 233.A O no hydrogen 2.756 N/A THR 178.A OG1 HIS 159.A ND1 no hydrogen 2.839 N/A THR 178.A OG1 THR 162.A OG1 no hydrogen 2.655 N/A VAL 179.A N ASN 135.A O no hydrogen 2.950 N/A SER 180.A N PHE 235.A O no hydrogen 2.832 N/A SER 180.A OG ASP 234.A OD1 no hydrogen 2.736 N/A SER 180.A OG ASP 234.A OD2 no hydrogen 3.470 N/A GLY 182.A N LEU 237.A O no hydrogen 2.799 N/A TYR 183.A OH ASN 140.A OD1 no hydrogen 2.935 N/A ALA 185.A N GLY 210.A O no hydrogen 2.712 N/A VAL 189.A N THR 186.A O no hydrogen 2.862 N/A LYS 190.A NZ ILE 192.A O no hydrogen 2.659 N/A ALA 191.A N MET 188.A O no hydrogen 3.392 N/A LEU 197.A N ARG 193.A O no hydrogen 2.995 N/A ASP 198.A N GLN 194.A O no hydrogen 2.823 N/A LYS 199.A N ASP 195.A O no hydrogen 3.291 N/A LYS 199.A NZ ASP 195.A O no hydrogen 2.674 N/A ILE 200.A N VAL 196.A O no hydrogen 3.011 N/A VAL 201.A N LEU 197.A O no hydrogen 2.838 N/A ALA 202.A N ASP 198.A O no hydrogen 2.857 N/A ALA 202.A N LYS 199.A O no hydrogen 3.190 N/A THR 203.A N ILE 200.A O no hydrogen 3.004 N/A THR 203.A OG1 ILE 200.A O no hydrogen 2.421 N/A ILE 204.A N VAL 201.A O no hydrogen 3.005 N/A VAL 206.A N GLY 239.A O no hydrogen 3.193 N/A LYS 207.A N ILE 204.A O no hydrogen 2.791 N/A LYS 207.A NZ ALA 202.A O no hydrogen 2.762 N/A ARG 208.A NH1 LEU 209.A O no hydrogen 2.960 N/A ARG 208.A NH1 GLU 214.A OE1 no hydrogen 2.941 N/A ARG 208.A NH2 GLU 214.A OE2 no hydrogen 2.880 N/A GLY 210.A N TYR 183.A O no hydrogen 2.890 N/A LEU 211.A N GLU 214.A OE1 no hydrogen 2.720 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.765 N/A GLU 214.A N LEU 211.A O no hydrogen 2.940 N/A ILE 215.A N LEU 211.A O no hydrogen 3.416 N/A ALA 216.A N PRO 212.A O no hydrogen 2.988 N/A SER 217.A N GLU 213.A O no hydrogen 2.760 N/A ILE 218.A N GLU 214.A O no hydrogen 3.352 N/A CYS 219.A N ILE 215.A O no hydrogen 3.132 N/A CYS 219.A SG ILE 215.A O no hydrogen 3.401 N/A ALA 220.A N ALA 216.A O no hydrogen 2.828 N/A TRP 221.A N SER 217.A O no hydrogen 3.099 N/A LEU 222.A N ILE 218.A O no hydrogen 3.032 N/A SER 223.A N CYS 219.A O no hydrogen 2.942 N/A SER 223.A OG CYS 219.A O no hydrogen 2.952 N/A SER 224.A N TRP 221.A O no hydrogen 3.073 N/A SER 224.A OG TRP 221.A O no hydrogen 2.718 N/A GLU 226.A N SER 224.A OG no hydrogen 3.012 N/A SER 227.A OG LEU 222.A O no hydrogen 2.767 N/A SER 227.A OG SER 224.A O no hydrogen 3.215 N/A SER 230.A N SER 227.A O no hydrogen 2.859 N/A THR 231.A OG1 VAL 176.A O no hydrogen 3.375 N/A GLY 232.A N VAL 176.A O no hydrogen 2.700 N/A ALA 233.A N ASN 177.A OD1 no hydrogen 3.291 N/A PHE 235.A N THR 178.A O no hydrogen 2.916 N/A LEU 237.A N SER 180.A O no hydrogen 3.160 N/A ASN 238.A ND2 HIS 242.A O no hydrogen 3.110 N/A GLY 240.A N ASN 238.A OD1 no hydrogen 2.916 N/A LEU 241.A N ASN 238.A O no hydrogen 3.227 N/A HIS 242.A N ASN 238.A OD1 no hydrogen 3.419 N/A