Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5itc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N GLU 6.A OE2 no hydrogen 2.856 N/A GLU 4.A N GLU 6.A OE1 no hydrogen 2.643 N/A GLU 6.A N GLU 6.A OE1 no hydrogen 2.763 N/A GLY 7.A N LEU 1.A O no hydrogen 2.691 N/A ILE 8.A N GLY 5.A O no hydrogen 3.452 N/A TRP 9.A N GLU 6.A O no hydrogen 2.917 N/A LEU 10.A N GLU 6.A O no hydrogen 3.313 N/A ALA 11.A N GLY 7.A O no hydrogen 2.849 N/A LEU 12.A N ILE 8.A O no hydrogen 2.890 N/A GLY 13.A N TRP 9.A O no hydrogen 2.889 N/A THR 14.A N LEU 10.A O no hydrogen 3.000 N/A THR 14.A OG1 LEU 10.A O no hydrogen 2.845 N/A ILE 15.A N ALA 11.A O no hydrogen 2.885 N/A GLY 16.A N LEU 12.A O no hydrogen 2.657 N/A MET 17.A N GLY 13.A O no hydrogen 2.851 N/A LEU 18.A N THR 14.A O no hydrogen 2.810 N/A LEU 19.A N ILE 15.A O no hydrogen 2.716 N/A GLY 20.A N GLY 16.A O no hydrogen 2.825 N/A MET 21.A N MET 17.A O no hydrogen 2.786 N/A LEU 22.A N LEU 18.A O no hydrogen 2.834 N/A TYR 23.A N LEU 19.A O no hydrogen 2.909 N/A PHE 24.A N GLY 20.A O no hydrogen 2.813 N/A ILE 25.A N MET 21.A O no hydrogen 2.863 N/A ALA 26.A N LEU 22.A O no hydrogen 2.796 N/A ASP 27.A N TYR 23.A O no hydrogen 2.646 N/A GLY 28.A N ILE 25.A O no hydrogen 2.958 N/A LEU 29.A N ALA 26.A O no hydrogen 3.492 N/A VAL 31.A N GLY 28.A O no hydrogen 3.030 N/A ARG 35.A NH1 ALA 226.A O no hydrogen 3.445 N/A ARG 35.A NH2 LEU 97.A O no hydrogen 3.521 N/A GLN 36.A N ASP 33.A OD1 no hydrogen 3.047 N/A LYS 37.A N ASP 33.A O no hydrogen 2.776 N/A GLU 38.A N PRO 34.A O no hydrogen 2.903 N/A PHE 39.A N ARG 35.A O no hydrogen 3.084 N/A TYR 40.A N GLN 36.A O no hydrogen 3.098 N/A TYR 40.A OH ASP 27.A OD2 no hydrogen 2.853 N/A VAL 41.A N LYS 37.A O no hydrogen 2.940 N/A ILE 42.A N GLU 38.A O no hydrogen 2.976 N/A THR 43.A N PHE 39.A O no hydrogen 2.978 N/A THR 43.A OG1 PHE 39.A O no hydrogen 2.561 N/A THR 43.A OG1 ASP 94.A OD1 no hydrogen 3.399 N/A THR 43.A OG1 ASP 94.A OD2 no hydrogen 2.662 N/A ILE 44.A N TYR 40.A O no hydrogen 2.864 N/A LEU 45.A N VAL 41.A O no hydrogen 2.926 N/A ILE 46.A N ILE 42.A O no hydrogen 3.077 N/A ALA 48.A N ILE 44.A O no hydrogen 3.074 N/A ILE 49.A N LEU 45.A O no hydrogen 3.057 N/A ALA 50.A N ILE 46.A O no hydrogen 3.022 N/A ALA 51.A N PRO 47.A O no hydrogen 2.834 N/A ALA 52.A N ALA 48.A O no hydrogen 2.946 N/A SER 53.A N ILE 49.A O no hydrogen 2.924 N/A SER 53.A OG.A ALA 79.A O no hydrogen 3.330 N/A SER 53.A OG.B ILE 49.A O no hydrogen 3.031 N/A TYR 54.A N ALA 50.A O no hydrogen 2.877 N/A TYR 54.A OH ASP 210.A OD2 no hydrogen 2.611 N/A LEU 55.A N ALA 51.A O no hydrogen 2.880 N/A SER 56.A N ALA 52.A O no hydrogen 2.964 N/A SER 56.A OG SER 53.A O no hydrogen 2.616 N/A MET 57.A N SER 53.A O no hydrogen 2.911 N/A PHE 58.A N TYR 54.A O no hydrogen 2.858 N/A PHE 59.A N LEU 55.A O no hydrogen 2.938 N/A GLY 60.A N MET 57.A O no hydrogen 3.018 N/A PHE 61.A N SER 56.A O no hydrogen 2.836 N/A GLY 62.A N SER 56.A O no hydrogen 3.137 N/A LEU 63.A N GLY 60.A O no hydrogen 3.268 N/A THR 64.A N VAL 76.A O no hydrogen 2.857 N/A THR 64.A OG1 GLU 65.A O no hydrogen 3.482 N/A VAL 66.A N VAL 74.A O no hydrogen 2.832 N/A LEU 68.A N ARG 72.A O no hydrogen 2.791 N/A ALA 69.A N LYS 127.A O no hydrogen 2.901 N/A GLY 71.A N LEU 68.A O no hydrogen 3.099 N/A ARG 72.A N ASN 70.A OD1 no hydrogen 2.940 N/A ARG 72.A NH1 THR 191.A O no hydrogen 2.799 N/A ARG 72.A NH2 THR 191.A O no hydrogen 2.804 N/A VAL 74.A N VAL 66.A O no hydrogen 2.859 N/A VAL 76.A N THR 64.A O no hydrogen 2.817 N/A TYR 77.A OH GLU 6.A OE2 no hydrogen 2.713 N/A ALA 79.A N GLY 62.A O no hydrogen 3.289 N/A ARG 80.A N TYR 77.A O no hydrogen 3.462 N/A ARG 80.A NH1 TYR 54.A OH no hydrogen 3.447 N/A TYR 81.A N TRP 78.A O no hydrogen 2.952 N/A ASP 83.A N ALA 79.A O no hydrogen 2.809 N/A TRP 84.A N ARG 80.A O no hydrogen 2.632 N/A LEU 85.A N TYR 81.A O no hydrogen 2.766 N/A PHE 86.A N ASP 83.A O no hydrogen 3.016 N/A THR 87.A N ASP 83.A O no hydrogen 2.968 N/A THR 87.A OG1 ASP 83.A O no hydrogen 3.149 N/A THR 87.A OG1 ASP 83.A OD1 no hydrogen 2.840 N/A THR 88.A N TRP 84.A O no hydrogen 3.072 N/A THR 88.A OG1 TRP 84.A O no hydrogen 2.596 N/A THR 88.A OG1 ASP 113.A OD1 no hydrogen 3.251 N/A THR 88.A OG1 ASP 113.A OD2 no hydrogen 2.630 N/A LEU 90.A N PHE 86.A O no hydrogen 3.264 N/A LEU 91.A N THR 87.A O no hydrogen 2.878 N/A LEU 92.A N THR 88.A O no hydrogen 2.931 N/A LEU 93.A N PRO 89.A O no hydrogen 2.730 N/A ASP 94.A N LEU 90.A O no hydrogen 2.807 N/A ILE 95.A N LEU 91.A O no hydrogen 3.059 N/A GLY 96.A N LEU 92.A O no hydrogen 2.865 N/A LEU 97.A N LEU 93.A O no hydrogen 2.659 N/A LEU 98.A N ASP 94.A O no hydrogen 2.864 N/A ALA 99.A N ILE 95.A O no hydrogen 2.725 N/A GLY 100.A N LEU 97.A O no hydrogen 3.257 N/A ALA 101.A N GLY 96.A O no hydrogen 3.063 N/A ASP 105.A N SER 102.A OG no hydrogen 3.173 N/A ILE 106.A N SER 102.A O no hydrogen 3.147 N/A GLY 107.A N GLN 103.A O no hydrogen 2.921 N/A ALA 108.A N ARG 104.A O no hydrogen 2.984 N/A LEU 109.A N ASP 105.A O no hydrogen 3.068 N/A VAL 110.A N ILE 106.A O no hydrogen 2.874 N/A GLY 111.A N GLY 107.A O no hydrogen 2.910 N/A ILE 112.A N ALA 108.A O no hydrogen 3.013 N/A ASP 113.A N LEU 109.A O no hydrogen 2.894 N/A ALA 114.A N VAL 110.A O no hydrogen 2.909 N/A PHE 115.A N GLY 111.A O no hydrogen 2.993 N/A MET 116.A N ILE 112.A O no hydrogen 2.904 N/A ILE 117.A N ASP 113.A O no hydrogen 2.956 N/A VAL 118.A N ALA 114.A O no hydrogen 2.930 N/A THR 119.A N PHE 115.A O no hydrogen 2.943 N/A THR 119.A OG1 PHE 115.A O no hydrogen 2.829 N/A THR 119.A OG1 MET 116.A O no hydrogen 3.171 N/A GLY 120.A N MET 116.A O no hydrogen 2.958 N/A LEU 121.A N ILE 117.A O no hydrogen 2.923 N/A VAL 122.A N VAL 118.A O no hydrogen 2.955 N/A ALA 123.A N THR 119.A O no hydrogen 2.965 N/A THR 124.A N GLY 120.A O no hydrogen 2.976 N/A THR 124.A OG1 TYR 81.A OH no hydrogen 2.505 N/A THR 124.A OG1 GLY 120.A O no hydrogen 3.099 N/A LEU 125.A N LEU 121.A O no hydrogen 2.915 N/A LEU 125.A N VAL 122.A O no hydrogen 3.267 N/A THR 126.A N VAL 122.A O no hydrogen 2.947 N/A LYS 127.A NZ SER 67.A O no hydrogen 2.630 N/A ARG 132.A N VAL 128.A O no hydrogen 3.102 N/A ARG 132.A NE GLU 192.A O no hydrogen 3.425 N/A ARG 132.A NH1 THR 124.A O no hydrogen 2.798 N/A ARG 132.A NH1 THR 126.A O no hydrogen 2.802 N/A ARG 132.A NH2 THR 124.A O no hydrogen 3.419 N/A ARG 132.A NH2 GLU 192.A O no hydrogen 3.115 N/A TYR 133.A N VAL 129.A O no hydrogen 3.078 N/A ALA 134.A N VAL 130.A O no hydrogen 2.843 N/A PHE 135.A N ALA 131.A O no hydrogen 2.887 N/A TRP 136.A N ARG 132.A O no hydrogen 2.946 N/A TRP 136.A NE1 PRO 184.A O no hydrogen 2.834 N/A THR 137.A N TYR 133.A O no hydrogen 2.858 N/A THR 137.A OG1 TYR 133.A O no hydrogen 2.876 N/A ILE 138.A N ALA 134.A O no hydrogen 2.943 N/A SER 139.A N PHE 135.A O no hydrogen 2.912 N/A SER 139.A OG MET 116.A O no hydrogen 2.639 N/A THR 140.A N TRP 136.A O no hydrogen 2.874 N/A THR 140.A OG1 TRP 136.A O no hydrogen 2.794 N/A ILE 141.A N THR 137.A O no hydrogen 2.915 N/A SER 142.A N ILE 138.A O no hydrogen 3.012 N/A SER 142.A OG ILE 138.A O no hydrogen 3.515 N/A SER 142.A OG SER 139.A O no hydrogen 2.618 N/A MET 143.A N SER 139.A O no hydrogen 2.835 N/A VAL 144.A N THR 140.A O no hydrogen 2.909 N/A PHE 145.A N ILE 141.A O no hydrogen 2.978 N/A LEU 146.A N SER 142.A O no hydrogen 2.854 N/A LEU 147.A N MET 143.A O no hydrogen 2.878 N/A TYR 148.A N VAL 144.A O no hydrogen 2.909 N/A TYR 149.A N PHE 145.A O no hydrogen 2.889 N/A TYR 149.A OH ASP 105.A O no hydrogen 2.654 N/A LEU 150.A N LEU 146.A O no hydrogen 2.843 N/A VAL 151.A N LEU 147.A O no hydrogen 3.028 N/A ALA 152.A N TYR 148.A O no hydrogen 2.898 N/A VAL 153.A N TYR 149.A O no hydrogen 2.831 N/A PHE 154.A N LEU 150.A O no hydrogen 3.052 N/A GLY 155.A N VAL 151.A O no hydrogen 3.004 N/A GLU 156.A N ALA 152.A O no hydrogen 2.924 N/A ALA 157.A N VAL 153.A O no hydrogen 2.972 N/A VAL 158.A N PHE 154.A O no hydrogen 2.918 N/A SER 159.A N GLU 156.A O no hydrogen 3.125 N/A SER 159.A OG GLU 156.A O no hydrogen 2.735 N/A SER 159.A OG GLU 156.A OE2 no hydrogen 3.282 N/A SER 159.A OG ASP 160.A OD1.B no hydrogen 3.302 N/A ALA 161.A N VAL 158.A O no hydrogen 3.049 N/A THR 165.A N ASP 162.A OD1 no hydrogen 2.990 N/A THR 165.A OG1 ASP 162.A OD1 no hydrogen 2.689 N/A ARG 166.A N ASP 162.A O no hydrogen 3.090 N/A ARG 166.A NH1 ALA 161.A O no hydrogen 2.751 N/A SER 167.A N GLU 163.A O no hydrogen 2.925 N/A THR 168.A N ASP 164.A O no hydrogen 2.927 N/A THR 168.A OG1 ASP 164.A O no hydrogen 2.794 N/A PHE 169.A N THR 165.A O no hydrogen 2.863 N/A ASN 170.A N ARG 166.A O no hydrogen 2.870 N/A ALA 171.A N SER 167.A O no hydrogen 2.989 N/A LEU 172.A N THR 168.A O no hydrogen 2.962 N/A ARG 173.A N PHE 169.A O no hydrogen 2.809 N/A ARG 173.A NE ASN 174.A OD1 no hydrogen 2.931 N/A ARG 173.A NH2 ASN 174.A OD1 no hydrogen 2.986 N/A ASN 174.A N ASN 170.A O no hydrogen 2.971 N/A ILE 175.A N ALA 171.A O no hydrogen 2.982 N/A ILE 176.A N LEU 172.A O no hydrogen 2.938 N/A LEU 177.A N ARG 173.A O no hydrogen 2.846 N/A VAL 178.A N ASN 174.A O no hydrogen 2.948 N/A THR 179.A N ILE 175.A O no hydrogen 2.953 N/A THR 179.A OG1 ILE 175.A O no hydrogen 2.910 N/A TRP 180.A N ILE 176.A O no hydrogen 2.872 N/A ILE 182.A N THR 179.A O no hydrogen 3.058 N/A TYR 183.A N TRP 180.A O no hydrogen 3.127 N/A TYR 183.A OH ASP 210.A OD1 no hydrogen 2.594 N/A ALA 186.A N ILE 182.A O no hydrogen 2.866 N/A TRP 187.A N TYR 183.A O no hydrogen 2.935 N/A TRP 187.A NE1 THR 124.A OG1 no hydrogen 2.757 N/A LEU 188.A N PRO 184.A O no hydrogen 2.948 N/A VAL 189.A N VAL 185.A O no hydrogen 2.937 N/A GLY 190.A N ALA 186.A O no hydrogen 2.820 N/A THR 191.A N GLU 202.A OE1 no hydrogen 2.887 N/A THR 191.A OG1.A GLU 192.A OE2.B no hydrogen 3.056 N/A THR 191.A OG1.A GLU 202.A OE1 no hydrogen 3.023 N/A THR 191.A OG1.B GLU 202.A OE1 no hydrogen 3.271 N/A GLU 192.A N GLU 192.A OE1.A no hydrogen 2.875 N/A GLY 193.A N GLY 190.A O no hydrogen 3.118 N/A LEU 194.A N LEU 188.A O no hydrogen 2.554 N/A ALA 195.A N GLY 190.A O no hydrogen 2.856 N/A LEU 196.A N VAL 189.A O no hydrogen 2.726 N/A THR 197.A N VAL 189.A O no hydrogen 2.981 N/A GLU 202.A N GLY 198.A O no hydrogen 3.118 N/A THR 203.A N LEU 199.A O no hydrogen 2.914 N/A THR 203.A OG1 LEU 199.A O no hydrogen 2.768 N/A LEU 204.A N TYR 200.A O no hydrogen 2.963 N/A LEU 205.A N GLY 201.A O no hydrogen 2.912 N/A PHE 206.A N GLU 202.A O no hydrogen 2.970 N/A MET 207.A N THR 203.A O no hydrogen 2.917 N/A VAL 208.A N LEU 204.A O no hydrogen 2.973 N/A LEU 209.A N LEU 205.A O no hydrogen 2.940 N/A ASP 210.A N PHE 206.A O no hydrogen 2.849 N/A LEU 211.A N MET 207.A O no hydrogen 2.941 N/A VAL 212.A N VAL 208.A O no hydrogen 2.979 N/A ALA 213.A N LEU 209.A O no hydrogen 2.832 N/A LYS 214.A N ASP 210.A O no hydrogen 2.900 N/A VAL 215.A N LEU 211.A O no hydrogen 2.846 N/A GLY 216.A N LEU 211.A O no hydrogen 2.956 N/A PHE 217.A N VAL 212.A O no hydrogen 2.972 N/A GLY 218.A N LYS 214.A O no hydrogen 2.890 N/A PHE 219.A N VAL 215.A O no hydrogen 2.892 N/A ILE 220.A N GLY 216.A O no hydrogen 3.021 N/A LEU 221.A N PHE 217.A O no hydrogen 2.894 N/A LEU 222.A N GLY 218.A O no hydrogen 2.905 N/A ARG 223.A N PHE 219.A O no hydrogen 3.230 N/A SER 224.A N LEU 221.A O no hydrogen 3.154 N/A SER 224.A OG LEU 221.A O no hydrogen 2.896 N/A ARG 225.A NE.B ASP 164.A OD2 no hydrogen 3.273 N/A ARG 225.A NH2.B ASP 164.A OD1 no hydrogen 3.480 N/A ILE 227.A N SER 224.A O no hydrogen 3.467 N/A MET 228.A N ARG 225.A O no hydrogen 3.000 N/A