Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a45_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 MET 55.A O no hydrogen 2.843 N/A ARG 2.A NH1 TYR 74.A OH no hydrogen 2.857 N/A ARG 2.A NH2 LEU 56.A O no hydrogen 2.858 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.622 N/A TRP 5.A N ARG 2.A O no hydrogen 2.943 N/A TRP 7.A N GLU 4.A O no hydrogen 3.149 N/A LEU 8.A N GLU 4.A O no hydrogen 3.314 N/A ALA 9.A N TRP 5.A O no hydrogen 2.823 N/A LEU 10.A N ILE 6.A O no hydrogen 2.847 N/A GLY 11.A N TRP 7.A O no hydrogen 2.722 N/A THR 12.A N LEU 8.A O no hydrogen 2.767 N/A THR 12.A OG1 LEU 8.A O no hydrogen 2.847 N/A ALA 13.A N ALA 9.A O no hydrogen 2.938 N/A LEU 14.A N LEU 10.A O no hydrogen 2.999 N/A MET 15.A N GLY 11.A O no hydrogen 2.986 N/A GLY 16.A N THR 12.A O no hydrogen 2.919 N/A LEU 17.A N ALA 13.A O no hydrogen 2.858 N/A GLY 18.A N LEU 14.A O no hydrogen 3.059 N/A THR 19.A N MET 15.A O no hydrogen 2.872 N/A THR 19.A OG1 MET 15.A O no hydrogen 2.668 N/A LEU 20.A N GLY 16.A O no hydrogen 3.099 N/A TYR 21.A N LEU 17.A O no hydrogen 2.834 N/A PHE 22.A N GLY 18.A O no hydrogen 2.988 N/A LEU 23.A N THR 19.A O no hydrogen 2.905 N/A VAL 24.A N LEU 20.A O no hydrogen 2.927 N/A LYS 25.A N TYR 21.A O no hydrogen 2.793 N/A LYS 25.A NZ TYR 38.A OH no hydrogen 2.873 N/A LYS 25.A NZ LEU 210.A O no hydrogen 2.804 N/A GLY 26.A N PHE 22.A O no hydrogen 3.039 N/A MET 27.A N VAL 24.A O no hydrogen 2.842 N/A VAL 29.A N GLY 26.A O no hydrogen 3.338 N/A ALA 34.A N ASP 31.A OD2 no hydrogen 2.984 N/A LYS 35.A N ASP 31.A O no hydrogen 2.813 N/A LYS 36.A N PRO 32.A O no hydrogen 3.329 N/A PHE 37.A N ASP 33.A O no hydrogen 3.268 N/A TYR 38.A N ALA 34.A O no hydrogen 2.987 N/A ALA 39.A N LYS 35.A O no hydrogen 2.838 N/A ILE 40.A N LYS 36.A O no hydrogen 3.092 N/A THR 41.A N PHE 37.A O no hydrogen 3.032 N/A THR 41.A OG1 PHE 37.A O no hydrogen 2.415 N/A THR 41.A OG1 ASP 91.A OD1 no hydrogen 3.525 N/A THR 41.A OG1 ASP 91.A OD2 no hydrogen 2.983 N/A THR 42.A N TYR 38.A O no hydrogen 2.888 N/A THR 42.A OG1 TYR 38.A O no hydrogen 2.579 N/A LEU 43.A N ALA 39.A O no hydrogen 3.086 N/A VAL 44.A N ILE 40.A O no hydrogen 3.218 N/A ALA 46.A N THR 42.A O no hydrogen 3.290 N/A ILE 47.A N LEU 43.A O no hydrogen 2.966 N/A ALA 48.A N VAL 44.A O no hydrogen 2.996 N/A PHE 49.A N PRO 45.A O no hydrogen 2.669 N/A THR 50.A N ALA 46.A O no hydrogen 3.240 N/A THR 50.A OG1 ILE 47.A O no hydrogen 2.701 N/A MET 51.A N ILE 47.A O no hydrogen 3.121 N/A TYR 52.A N ALA 48.A O no hydrogen 2.783 N/A TYR 52.A OH ASP 198.A OD2 no hydrogen 2.568 N/A LEU 53.A N PHE 49.A O no hydrogen 2.896 N/A SER 54.A N THR 50.A O no hydrogen 2.851 N/A MET 55.A N MET 51.A O no hydrogen 2.911 N/A LEU 56.A N TYR 52.A O no hydrogen 2.878 N/A LEU 57.A N LEU 53.A O no hydrogen 2.960 N/A GLY 58.A N SER 54.A O no hydrogen 3.100 N/A GLY 58.A N MET 55.A O no hydrogen 3.076 N/A GLY 60.A N SER 54.A O no hydrogen 3.098 N/A THR 62.A N ILE 73.A O no hydrogen 2.777 N/A VAL 64.A N ASN 71.A O no hydrogen 2.798 N/A PHE 66.A N GLU 69.A O no hydrogen 3.081 N/A GLU 69.A N PHE 66.A O no hydrogen 3.058 N/A ASN 71.A N VAL 64.A O no hydrogen 3.006 N/A ASN 71.A ND2 VAL 64.A O no hydrogen 3.142 N/A ASN 71.A ND2 PHE 66.A O no hydrogen 2.874 N/A ILE 73.A N THR 62.A O no hydrogen 2.710 N/A TYR 74.A OH GLU 4.A OE2 no hydrogen 2.683 N/A ALA 76.A N GLY 60.A O no hydrogen 3.223 N/A TYR 78.A N TRP 75.A O no hydrogen 2.993 N/A ASP 80.A N ALA 76.A O no hydrogen 3.072 N/A TRP 81.A N ARG 77.A O no hydrogen 2.876 N/A LEU 82.A N TYR 78.A O no hydrogen 2.895 N/A PHE 83.A N ASP 80.A O no hydrogen 3.053 N/A THR 84.A N ASP 80.A O no hydrogen 2.944 N/A THR 84.A OG1 ASP 80.A O no hydrogen 2.992 N/A THR 84.A OG1 ASP 80.A OD1 no hydrogen 2.639 N/A THR 85.A N TRP 81.A O no hydrogen 2.898 N/A THR 85.A OG1 TRP 81.A O no hydrogen 2.451 N/A THR 85.A OG1 ASP 110.A OD1 no hydrogen 2.527 N/A THR 85.A OG1 ASP 110.A OD2 no hydrogen 3.234 N/A LEU 87.A N PHE 83.A O no hydrogen 3.419 N/A LEU 88.A N THR 84.A O no hydrogen 2.983 N/A LEU 89.A N THR 85.A O no hydrogen 3.078 N/A LEU 90.A N PRO 86.A O no hydrogen 2.842 N/A ASP 91.A N LEU 87.A O no hydrogen 2.978 N/A LEU 92.A N LEU 88.A O no hydrogen 3.279 N/A ALA 93.A N LEU 89.A O no hydrogen 2.803 N/A LEU 94.A N LEU 90.A O no hydrogen 2.891 N/A LEU 95.A N ASP 91.A O no hydrogen 2.965 N/A VAL 96.A N LEU 92.A O no hydrogen 3.250 N/A ASP 97.A N LEU 94.A O no hydrogen 3.128 N/A ALA 98.A N ALA 93.A O no hydrogen 2.875 N/A THR 102.A OG1 ASP 99.A OD1 no hydrogen 2.916 N/A ILE 103.A N ASP 99.A O no hydrogen 3.086 N/A LEU 104.A N GLN 100.A O no hydrogen 2.927 N/A ALA 105.A N GLY 101.A O no hydrogen 3.128 N/A LEU 106.A N THR 102.A O no hydrogen 2.988 N/A VAL 107.A N ILE 103.A O no hydrogen 2.831 N/A GLY 108.A N LEU 104.A O no hydrogen 2.840 N/A ALA 109.A N ALA 105.A O no hydrogen 2.925 N/A ASP 110.A N LEU 106.A O no hydrogen 2.901 N/A GLY 111.A N VAL 107.A O no hydrogen 2.812 N/A ILE 112.A N GLY 108.A O no hydrogen 3.011 N/A MET 113.A N ALA 109.A O no hydrogen 2.785 N/A ILE 114.A N ASP 110.A O no hydrogen 2.993 N/A GLY 115.A N GLY 111.A O no hydrogen 2.880 N/A THR 116.A N ILE 112.A O no hydrogen 2.809 N/A THR 116.A OG1 ILE 112.A O no hydrogen 2.707 N/A THR 116.A OG1 MET 113.A O no hydrogen 3.081 N/A GLY 117.A N MET 113.A O no hydrogen 3.030 N/A LEU 118.A N ILE 114.A O no hydrogen 2.771 N/A VAL 119.A N GLY 115.A O no hydrogen 3.024 N/A GLY 120.A N THR 116.A O no hydrogen 2.802 N/A ALA 121.A N GLY 117.A O no hydrogen 2.864 N/A LEU 122.A N LEU 118.A O no hydrogen 3.129 N/A LEU 122.A N VAL 119.A O no hydrogen 3.148 N/A THR 123.A N GLY 120.A O no hydrogen 3.306 N/A THR 123.A OG1 VAL 119.A O no hydrogen 2.672 N/A TYR 126.A OH GLY 181.A O no hydrogen 3.327 N/A ARG 129.A N VAL 125.A O no hydrogen 3.279 N/A ARG 129.A N TYR 126.A O no hydrogen 3.039 N/A ARG 129.A NE GLU 180.A O no hydrogen 2.816 N/A ARG 129.A NH1 ALA 121.A O no hydrogen 2.797 N/A ARG 129.A NH1 THR 123.A O no hydrogen 2.720 N/A ARG 129.A NH2 ALA 121.A O no hydrogen 2.879 N/A ARG 129.A NH2 GLU 180.A O no hydrogen 2.897 N/A PHE 130.A N SER 127.A O no hydrogen 3.233 N/A VAL 131.A N TYR 128.A O no hydrogen 2.836 N/A TRP 132.A N TYR 128.A O no hydrogen 3.194 N/A TRP 133.A N ARG 129.A O no hydrogen 3.028 N/A TRP 133.A NE1 PRO 172.A O no hydrogen 2.882 N/A ALA 134.A N PHE 130.A O no hydrogen 3.054 N/A ILE 135.A N VAL 131.A O no hydrogen 3.109 N/A SER 136.A N TRP 132.A O no hydrogen 2.931 N/A SER 136.A OG MET 113.A O no hydrogen 2.588 N/A THR 137.A N TRP 133.A O no hydrogen 2.848 N/A THR 137.A OG1 TRP 133.A O no hydrogen 2.925 N/A ALA 138.A N ALA 134.A O no hydrogen 2.937 N/A ALA 139.A N ILE 135.A O no hydrogen 2.999 N/A MET 140.A N SER 136.A O no hydrogen 2.898 N/A LEU 141.A N THR 137.A O no hydrogen 2.776 N/A TYR 142.A N ALA 138.A O no hydrogen 2.891 N/A ILE 143.A N ALA 139.A O no hydrogen 2.980 N/A LEU 144.A N MET 140.A O no hydrogen 2.906 N/A TYR 145.A N LEU 141.A O no hydrogen 2.905 N/A VAL 146.A N TYR 142.A O no hydrogen 2.915 N/A LEU 147.A N ILE 143.A O no hydrogen 3.016 N/A PHE 148.A N LEU 144.A O no hydrogen 3.210 N/A PHE 148.A N TYR 145.A O no hydrogen 3.105 N/A PHE 149.A N TYR 145.A O no hydrogen 2.759 N/A GLY 150.A N VAL 146.A O no hydrogen 2.665 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.586 N/A SER 155.A N PRO 151.A O no hydrogen 2.876 N/A THR 156.A N GLU 152.A O no hydrogen 2.814 N/A THR 156.A OG1 GLU 152.A O no hydrogen 2.871 N/A THR 156.A OG1 SER 212.A OG no hydrogen 2.728 N/A PHE 157.A N VAL 153.A O no hydrogen 2.771 N/A LYS 158.A N ALA 154.A O no hydrogen 2.929 N/A VAL 159.A N SER 155.A O no hydrogen 3.262 N/A LEU 160.A N THR 156.A O no hydrogen 2.923 N/A ARG 161.A N PHE 157.A O no hydrogen 2.696 N/A ARG 161.A NH1 LEU 147.A O no hydrogen 3.133 N/A ASN 162.A N LYS 158.A O no hydrogen 3.019 N/A VAL 163.A N VAL 159.A O no hydrogen 3.022 N/A THR 164.A N LEU 160.A O no hydrogen 2.949 N/A THR 164.A OG1 LEU 160.A O no hydrogen 2.704 N/A VAL 165.A N ARG 161.A O no hydrogen 2.998 N/A VAL 166.A N ASN 162.A O no hydrogen 3.201 N/A LEU 167.A N VAL 163.A O no hydrogen 3.171 N/A TRP 168.A N THR 164.A O no hydrogen 2.839 N/A SER 169.A N VAL 165.A O no hydrogen 3.206 N/A SER 169.A OG VAL 165.A O no hydrogen 2.456 N/A ALA 170.A N LEU 167.A O no hydrogen 3.145 N/A TYR 171.A N TRP 168.A O no hydrogen 3.232 N/A TYR 171.A OH ASP 198.A OD1 no hydrogen 2.515 N/A VAL 174.A N ALA 170.A O no hydrogen 2.952 N/A TRP 175.A N TYR 171.A O no hydrogen 2.845 N/A TRP 175.A NE1 TYR 78.A OH no hydrogen 2.765 N/A LEU 176.A N PRO 172.A O no hydrogen 2.962 N/A ILE 177.A N VAL 173.A O no hydrogen 3.083 N/A GLY 178.A N VAL 174.A O no hydrogen 2.703 N/A SER 179.A N GLU 190.A OE1 no hydrogen 2.688 N/A SER 179.A OG GLU 190.A OE1 no hydrogen 2.507 N/A GLY 181.A N GLY 178.A O no hydrogen 3.244 N/A ALA 182.A N LEU 176.A O no hydrogen 2.701 N/A GLY 183.A N GLY 178.A O no hydrogen 2.700 N/A ILE 184.A N ILE 177.A O no hydrogen 3.105 N/A VAL 185.A N ILE 177.A O no hydrogen 3.122 N/A GLU 190.A N PRO 186.A O no hydrogen 2.963 N/A THR 191.A N LEU 187.A O no hydrogen 2.775 N/A THR 191.A OG1 LEU 187.A O no hydrogen 2.662 N/A LEU 192.A N ASN 188.A O no hydrogen 3.052 N/A LEU 193.A N ILE 189.A O no hydrogen 3.079 N/A PHE 194.A N GLU 190.A O no hydrogen 3.052 N/A MET 195.A N THR 191.A O no hydrogen 3.036 N/A VAL 196.A N LEU 192.A O no hydrogen 3.099 N/A LEU 197.A N LEU 193.A O no hydrogen 2.884 N/A ASP 198.A N PHE 194.A O no hydrogen 2.763 N/A VAL 199.A N MET 195.A O no hydrogen 2.825 N/A SER 200.A N VAL 196.A O no hydrogen 2.975 N/A SER 200.A OG VAL 196.A O no hydrogen 2.843 N/A ALA 201.A N LEU 197.A O no hydrogen 2.758 N/A LYS 202.A N ASP 198.A O no hydrogen 2.898 N/A VAL 203.A N VAL 199.A O no hydrogen 2.957 N/A GLY 204.A N VAL 199.A O no hydrogen 3.024 N/A PHE 205.A N SER 200.A O no hydrogen 2.858 N/A GLY 206.A N LYS 202.A O no hydrogen 2.775 N/A LEU 207.A N VAL 203.A O no hydrogen 2.789 N/A ILE 208.A N GLY 204.A O no hydrogen 3.139 N/A LEU 209.A N PHE 205.A O no hydrogen 3.112 N/A LEU 210.A N GLY 206.A O no hydrogen 2.998 N/A ARG 211.A N LEU 207.A O no hydrogen 3.244 N/A SER 212.A N LEU 209.A O no hydrogen 3.230 N/A SER 212.A OG THR 156.A OG1 no hydrogen 2.728 N/A ALA 214.A N SER 212.A OG no hydrogen 2.960 N/A PHE 216.A N ARG 213.A O no hydrogen 3.399 N/A GLY 217.A N ASP 31.A OD2 no hydrogen 3.289 N/A