Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pst_L.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N PHE 1.A O no hydrogen 2.640 N/A TYR 5.A N GLU 2.A O no hydrogen 2.784 N/A ARG 6.A N ARG 3.A O no hydrogen 3.107 N/A ARG 6.A NH1 GLU 2.A OE1 no hydrogen 3.152 N/A ARG 6.A NH2 GLY 23.A O no hydrogen 3.454 N/A VAL 7.A N TYR 5.A O no hydrogen 2.750 N/A VAL 13.A N GLU 102.A OE2 no hydrogen 3.347 N/A LEU 17.A N ASN 16.A OD1 no hydrogen 2.920 N/A PHE 18.A N GLY 14.A O no hydrogen 3.392 N/A ASP 19.A N ASN 16.A O no hydrogen 2.932 N/A PHE 20.A N PHE 18.A O no hydrogen 2.936 N/A VAL 22.A N PHE 25.A O no hydrogen 2.742 N/A PHE 25.A N VAL 22.A O no hydrogen 2.903 N/A TYR 26.A OH THR 11.A OG1 no hydrogen 2.798 N/A TYR 26.A OH ASP 19.A OD1 no hydrogen 2.914 N/A VAL 27.A N PHE 20.A O no hydrogen 3.013 N/A GLY 28.A N PHE 18.A O no hydrogen 2.932 N/A GLY 31.A N GLY 28.A O no hydrogen 2.892 N/A VAL 32.A N GLY 28.A O no hydrogen 3.167 N/A ALA 33.A N PHE 29.A O no hydrogen 2.983 N/A THR 34.A N PHE 30.A O no hydrogen 3.027 N/A THR 34.A OG1 PHE 30.A O no hydrogen 2.814 N/A PHE 35.A N GLY 31.A O no hydrogen 3.068 N/A PHE 36.A N VAL 32.A O no hydrogen 2.843 N/A PHE 37.A N ALA 33.A O no hydrogen 2.915 N/A ALA 38.A N THR 34.A O no hydrogen 2.962 N/A ALA 39.A N PHE 35.A O no hydrogen 2.969 N/A LEU 40.A N PHE 36.A O no hydrogen 3.152 N/A GLY 41.A N PHE 37.A O no hydrogen 3.096 N/A ILE 42.A N ALA 38.A O no hydrogen 3.006 N/A ILE 43.A N ALA 39.A O no hydrogen 2.907 N/A LEU 44.A N LEU 40.A O no hydrogen 2.985 N/A ILE 45.A N GLY 41.A O no hydrogen 2.978 N/A ALA 46.A N ILE 42.A O no hydrogen 2.956 N/A TRP 47.A N ILE 43.A O no hydrogen 2.892 N/A SER 48.A N LEU 44.A O no hydrogen 2.983 N/A SER 48.A OG LEU 44.A O no hydrogen 3.020 N/A ALA 49.A N ILE 45.A O no hydrogen 2.926 N/A ALA 49.A N ALA 46.A O no hydrogen 3.199 N/A VAL 50.A N ALA 46.A O no hydrogen 3.101 N/A LEU 51.A N TRP 47.A O no hydrogen 3.101 N/A GLN 52.A N ALA 49.A O no hydrogen 3.031 N/A GLN 52.A NE2 SER 48.A O no hydrogen 3.669 N/A GLY 53.A N ALA 49.A O no hydrogen 2.863 N/A GLY 53.A N VAL 50.A O no hydrogen 3.142 N/A THR 54.A N ALA 49.A O no hydrogen 3.218 N/A ASN 56.A N THR 54.A OG1 no hydrogen 3.004 N/A LEU 59.A N ASN 56.A O no hydrogen 2.921 N/A LEU 59.A N ASN 56.A OD1 no hydrogen 2.954 N/A ILE 60.A N ASN 56.A O no hydrogen 2.739 N/A SER 61.A OG THR 148.A OG1 no hydrogen 2.576 N/A VAL 62.A N TYR 144.A O no hydrogen 3.117 N/A TYR 69.A N ALA 66.A O no hydrogen 2.802 N/A GLY 70.A N LEU 67.A O no hydrogen 3.473 N/A GLY 72.A N TYR 69.A O no hydrogen 2.965 N/A GLY 80.A N PRO 75.A O no hydrogen 2.867 N/A LEU 81.A N LEU 76.A O no hydrogen 2.993 N/A TRP 82.A N GLY 79.A O no hydrogen 3.013 N/A TRP 82.A NE1 PHE 142.A O no hydrogen 2.833 N/A GLN 83.A NE2 GLY 72.A O no hydrogen 2.837 N/A ILE 84.A N GLY 80.A O no hydrogen 3.069 N/A ILE 85.A N LEU 81.A O no hydrogen 3.018 N/A THR 86.A N TRP 82.A O no hydrogen 2.835 N/A THR 86.A OG1 TRP 82.A O no hydrogen 2.997 N/A THR 86.A OG1 TYR 144.A OH no hydrogen 2.828 N/A ILE 87.A N GLN 83.A O no hydrogen 3.246 N/A CYS 88.A N ILE 84.A O no hydrogen 3.086 N/A CYS 88.A SG ILE 84.A O no hydrogen 3.873 N/A ALA 89.A N ILE 85.A O no hydrogen 2.809 N/A THR 90.A N THR 86.A O no hydrogen 2.823 N/A GLY 91.A N ILE 87.A O no hydrogen 2.894 N/A ALA 92.A N CYS 88.A O no hydrogen 2.877 N/A PHE 93.A N ALA 89.A O no hydrogen 2.885 N/A VAL 94.A N THR 90.A O no hydrogen 3.027 N/A SER 95.A N GLY 91.A O no hydrogen 2.978 N/A SER 95.A OG GLY 91.A O no hydrogen 3.030 N/A TRP 96.A N ALA 92.A O no hydrogen 3.396 N/A ALA 97.A N PHE 93.A O no hydrogen 3.046 N/A LEU 98.A N VAL 94.A O no hydrogen 3.155 N/A ARG 99.A N TRP 96.A O no hydrogen 3.120 N/A ARG 99.A NE TYR 26.A O no hydrogen 3.168 N/A ARG 99.A NH2 TYR 26.A O no hydrogen 3.458 N/A GLU 100.A N TRP 96.A O no hydrogen 3.023 N/A VAL 101.A N ALA 97.A O no hydrogen 2.915 N/A ILE 103.A N ARG 99.A O no hydrogen 3.024 N/A CYS 104.A N GLU 100.A O no hydrogen 2.831 N/A CYS 104.A SG GLU 100.A O no hydrogen 3.311 N/A CYS 104.A SG GLY 110.A O no hydrogen 4.016 N/A ARG 105.A N VAL 101.A O no hydrogen 3.236 N/A LYS 106.A N GLU 102.A O no hydrogen 3.347 N/A LYS 106.A NZ VAL 7.A O no hydrogen 2.807 N/A LYS 106.A NZ GLY 9.A O no hydrogen 2.673 N/A LYS 106.A NZ ASP 19.A OD1 no hydrogen 2.865 N/A LEU 107.A N ILE 103.A O no hydrogen 2.934 N/A GLY 108.A N ARG 105.A O no hydrogen 2.905 N/A ILE 109.A N CYS 104.A O no hydrogen 3.034 N/A HIS 112.A N GLY 110.A O no hydrogen 2.716 N/A PHE 115.A N TYR 111.A O no hydrogen 3.446 N/A ALA 116.A N HIS 112.A O no hydrogen 2.901 N/A PHE 117.A N ILE 113.A O no hydrogen 2.950 N/A ALA 118.A N PRO 114.A O no hydrogen 2.984 N/A PHE 119.A N ALA 116.A O no hydrogen 3.004 N/A ILE 121.A N PHE 117.A O no hydrogen 3.142 N/A LEU 122.A N ALA 118.A O no hydrogen 2.936 N/A ALA 123.A N PHE 119.A O no hydrogen 3.001 N/A TYR 124.A N ALA 120.A O no hydrogen 3.033 N/A TYR 124.A OH TYR 144.A OH no hydrogen 2.766 N/A LEU 125.A N ILE 121.A O no hydrogen 2.908 N/A THR 126.A N LEU 122.A O no hydrogen 2.899 N/A THR 126.A N ALA 123.A O no hydrogen 2.936 N/A THR 126.A OG1 LEU 122.A O no hydrogen 2.864 N/A LEU 127.A N ALA 123.A O no hydrogen 3.349 N/A VAL 128.A N TYR 124.A O no hydrogen 3.125 N/A LEU 129.A N LEU 125.A O no hydrogen 2.913 N/A PHE 130.A N LEU 125.A O no hydrogen 2.922 N/A ARG 131.A N THR 126.A O no hydrogen 2.876 N/A ARG 131.A NH1 THR 247.A O no hydrogen 2.855 N/A VAL 133.A N LEU 129.A O no hydrogen 3.031 N/A MET 134.A N PHE 130.A O no hydrogen 2.858 N/A MET 135.A N ARG 131.A O no hydrogen 2.880 N/A GLY 136.A N VAL 133.A O no hydrogen 2.971 N/A TRP 138.A N GLY 70.A O no hydrogen 3.196 N/A TYR 140.A N ALA 137.A O no hydrogen 3.075 N/A ALA 141.A N TRP 138.A O no hydrogen 2.982 N/A TYR 144.A N VAL 62.A O no hydrogen 2.863 N/A TYR 144.A OH THR 86.A OG1 no hydrogen 2.828 N/A GLY 145.A N PRO 143.A O no hydrogen 2.939 N/A TRP 147.A NE1 GLN 58.A OE1 no hydrogen 2.924 N/A THR 148.A OG1 SER 61.A OG no hydrogen 2.576 N/A HIS 149.A N GLY 145.A O no hydrogen 3.071 N/A HIS 149.A ND1 GLY 145.A O no hydrogen 2.819 N/A LEU 150.A N TRP 147.A O no hydrogen 2.972 N/A ASP 151.A N TRP 147.A O no hydrogen 3.261 N/A TRP 152.A N THR 148.A O no hydrogen 2.988 N/A TRP 152.A NE1 TYR 140.A O no hydrogen 2.957 N/A VAL 153.A N HIS 149.A O no hydrogen 2.823 N/A SER 154.A N LEU 150.A O no hydrogen 2.949 N/A ASN 155.A N ASP 151.A O no hydrogen 2.968 N/A ASN 155.A ND2 ASP 151.A O no hydrogen 3.163 N/A THR 156.A N TRP 152.A O no hydrogen 2.992 N/A THR 156.A OG1 TRP 152.A O no hydrogen 3.036 N/A GLY 157.A N VAL 153.A O no hydrogen 2.902 N/A TYR 158.A N SER 154.A O no hydrogen 2.895 N/A THR 159.A N ASN 155.A O no hydrogen 2.702 N/A THR 159.A OG1 ASN 155.A O no hydrogen 2.738 N/A TYR 160.A N GLY 157.A O no hydrogen 3.017 N/A GLY 161.A N TYR 158.A O no hydrogen 3.128 N/A HIS 164.A N ASN 162.A OD1 no hydrogen 3.022 N/A TYR 165.A N ASN 162.A O no hydrogen 3.356 N/A ASN 166.A ND2 CYS 243.A O no hydrogen 3.220 N/A HIS 169.A N ASN 166.A O no hydrogen 2.838 N/A HIS 169.A N ASN 166.A OD1 no hydrogen 3.162 N/A MET 170.A N ASN 166.A O no hydrogen 2.964 N/A ILE 171.A N PRO 167.A O no hydrogen 3.219 N/A ALA 172.A N ALA 168.A O no hydrogen 3.104 N/A ILE 173.A N HIS 169.A O no hydrogen 2.908 N/A SER 174.A N MET 170.A O no hydrogen 2.997 N/A SER 174.A OG MET 170.A O no hydrogen 2.858 N/A PHE 175.A N ILE 171.A O no hydrogen 2.958 N/A PHE 176.A N ALA 172.A O no hydrogen 3.013 N/A PHE 177.A N ILE 173.A O no hydrogen 2.863 N/A THR 178.A N SER 174.A O no hydrogen 2.960 N/A THR 178.A OG1 SER 174.A O no hydrogen 2.894 N/A ASN 179.A N PHE 175.A O no hydrogen 2.782 N/A ASN 179.A ND2 ASN 179.A O no hydrogen 2.727 N/A ALA 180.A N PHE 176.A O no hydrogen 3.163 N/A LEU 181.A N PHE 177.A O no hydrogen 3.373 N/A ALA 182.A N THR 178.A O no hydrogen 2.787 N/A LEU 183.A N ASN 179.A O no hydrogen 2.984 N/A ALA 184.A N ALA 180.A O no hydrogen 2.988 N/A LEU 185.A N LEU 181.A O no hydrogen 2.972 N/A HIS 186.A N ALA 182.A O no hydrogen 2.952 N/A GLY 187.A N LEU 183.A O no hydrogen 3.023 N/A ALA 188.A N ALA 184.A O no hydrogen 2.992 N/A LEU 189.A N LEU 185.A O no hydrogen 2.812 N/A LEU 189.A N HIS 186.A O no hydrogen 3.094 N/A VAL 190.A N HIS 186.A O no hydrogen 3.216 N/A LEU 191.A N GLY 187.A O no hydrogen 3.113 N/A SER 192.A N ALA 188.A O no hydrogen 2.948 N/A SER 192.A N LEU 189.A O no hydrogen 2.771 N/A ALA 193.A N LEU 189.A O no hydrogen 3.088 N/A ALA 194.A N VAL 190.A O no hydrogen 2.753 N/A ARG 203.A N ALA 193.A O no hydrogen 3.328 N/A ARG 203.A NH1 GLU 201.A O no hydrogen 2.933 N/A HIS 207.A N THR 204.A O no hydrogen 2.748 N/A GLU 208.A N THR 204.A O no hydrogen 3.128 N/A ASP 209.A N PRO 205.A O no hydrogen 2.846 N/A THR 210.A N ASP 206.A O no hydrogen 3.085 N/A THR 210.A OG1 ASP 206.A O no hydrogen 2.760 N/A PHE 211.A N HIS 207.A O no hydrogen 2.867 N/A PHE 212.A N GLU 208.A O no hydrogen 3.186 N/A ARG 213.A N ASP 209.A O no hydrogen 3.112 N/A ASP 214.A N THR 210.A O no hydrogen 2.991 N/A LEU 215.A N PHE 211.A O no hydrogen 3.115 N/A VAL 216.A N PHE 212.A O no hydrogen 2.920 N/A GLY 217.A N PHE 212.A O no hydrogen 3.320 N/A SER 219.A OG ASP 209.A O no hydrogen 3.500 N/A SER 219.A OG ASP 209.A OD1 no hydrogen 2.791 N/A SER 219.A OG ILE 220.A O no hydrogen 3.448 N/A ILE 225.A N GLY 221.A O no hydrogen 2.687 N/A ARG 227.A N LEU 223.A O no hydrogen 2.988 N/A LEU 228.A N GLY 224.A O no hydrogen 2.871 N/A GLY 229.A N ILE 225.A O no hydrogen 2.851 N/A LEU 231.A N ARG 227.A O no hydrogen 3.235 N/A LEU 232.A N LEU 228.A O no hydrogen 3.000 N/A SER 233.A N GLY 229.A O no hydrogen 3.185 N/A SER 233.A OG GLY 229.A O no hydrogen 2.895 N/A SER 233.A OG LEU 230.A O no hydrogen 3.092 N/A LEU 234.A N LEU 230.A O no hydrogen 3.097 N/A SER 235.A N LEU 231.A O no hydrogen 2.913 N/A SER 235.A N LEU 232.A O no hydrogen 3.182 N/A SER 235.A OG LEU 231.A O no hydrogen 2.863 N/A ALA 236.A N LEU 232.A O no hydrogen 2.912 N/A VAL 237.A N SER 233.A O no hydrogen 3.062 N/A PHE 238.A N LEU 234.A O no hydrogen 3.023 N/A PHE 239.A N SER 235.A O no hydrogen 2.826 N/A SER 240.A N ALA 236.A O no hydrogen 2.985 N/A SER 240.A OG ALA 236.A O no hydrogen 2.695 N/A ALA 241.A N VAL 237.A O no hydrogen 2.995 N/A LEU 242.A N PHE 238.A O no hydrogen 2.922 N/A CYS 243.A N PHE 239.A O no hydrogen 2.890 N/A MET 244.A N SER 240.A O no hydrogen 3.101 N/A ILE 245.A N LEU 242.A O no hydrogen 2.925 N/A ILE 246.A N LEU 242.A O no hydrogen 3.149 N/A GLY 248.A N TRP 251.A O no hydrogen 2.817 N/A THR 249.A OG1 ILE 245.A O no hydrogen 2.854 N/A ILE 250.A N ILE 246.A O no hydrogen 2.856 N/A TRP 251.A N ILE 246.A O no hydrogen 3.049 N/A GLN 254.A N ASP 253.A OD1 no hydrogen 3.111 N/A TRP 255.A N TYR 160.A O no hydrogen 2.964 N/A TRP 255.A NE1 THR 247.A OG1 no hydrogen 2.829 N/A ASP 257.A N GLN 254.A O no hydrogen 3.045 N/A TRP 258.A N TRP 255.A O no hydrogen 2.972 N/A TRP 259.A NE1 TYR 165.A O no hydrogen 2.973 N/A TRP 261.A N TRP 258.A O no hydrogen 2.883 N/A TRP 262.A N TRP 259.A O no hydrogen 2.994 N/A LEU 265.A N PRO 266.A O no hydrogen 2.852 N/A