Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pss_L.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N PHE 1.A O no hydrogen 2.686 N/A TYR 5.A N GLU 2.A O no hydrogen 2.762 N/A ARG 6.A N ARG 3.A O no hydrogen 3.083 N/A VAL 7.A N TYR 5.A O no hydrogen 2.726 N/A GLY 9.A N ASP 19.A OD1 no hydrogen 3.136 N/A THR 11.A OG1 GLY 9.A O no hydrogen 3.421 N/A THR 11.A OG1 ASP 19.A OD2 no hydrogen 2.965 N/A THR 11.A OG1 TYR 26.A OH no hydrogen 2.935 N/A VAL 13.A N GLU 102.A OE2 no hydrogen 2.987 N/A PHE 18.A N GLY 14.A O no hydrogen 3.154 N/A ASP 19.A N ASN 16.A O no hydrogen 3.280 N/A PHE 20.A N PHE 18.A O no hydrogen 3.106 N/A VAL 22.A N PHE 25.A O no hydrogen 2.844 N/A GLY 31.A N GLY 28.A O no hydrogen 2.800 N/A VAL 32.A N GLY 28.A O no hydrogen 3.266 N/A ALA 33.A N PHE 29.A O no hydrogen 2.953 N/A THR 34.A N PHE 30.A O no hydrogen 2.859 N/A THR 34.A OG1 PHE 30.A O no hydrogen 2.788 N/A PHE 35.A N GLY 31.A O no hydrogen 2.930 N/A PHE 36.A N VAL 32.A O no hydrogen 2.838 N/A PHE 37.A N ALA 33.A O no hydrogen 3.060 N/A ALA 38.A N THR 34.A O no hydrogen 3.011 N/A ALA 39.A N PHE 35.A O no hydrogen 2.965 N/A LEU 40.A N PHE 36.A O no hydrogen 3.295 N/A GLY 41.A N PHE 37.A O no hydrogen 3.158 N/A GLY 41.A N ALA 38.A O no hydrogen 3.008 N/A ILE 42.A N ALA 38.A O no hydrogen 2.867 N/A ILE 42.A N ALA 39.A O no hydrogen 2.991 N/A ILE 43.A N ALA 39.A O no hydrogen 3.024 N/A LEU 44.A N LEU 40.A O no hydrogen 3.391 N/A ILE 45.A N GLY 41.A O no hydrogen 3.013 N/A ALA 46.A N ILE 42.A O no hydrogen 2.958 N/A TRP 47.A N ILE 43.A O no hydrogen 2.929 N/A SER 48.A N LEU 44.A O no hydrogen 3.151 N/A ALA 49.A N ILE 45.A O no hydrogen 2.782 N/A VAL 50.A N ALA 46.A O no hydrogen 2.966 N/A LEU 51.A N TRP 47.A O no hydrogen 3.005 N/A GLN 52.A N SER 48.A O no hydrogen 3.247 N/A GLN 52.A N ALA 49.A O no hydrogen 2.828 N/A GLY 53.A N ALA 49.A O no hydrogen 2.942 N/A GLY 53.A N VAL 50.A O no hydrogen 3.275 N/A THR 54.A N ALA 49.A O no hydrogen 3.382 N/A GLN 58.A N ASN 56.A OD1 no hydrogen 3.023 N/A LEU 59.A N ASN 56.A O no hydrogen 3.268 N/A LEU 59.A N ASN 56.A OD1 no hydrogen 3.180 N/A ILE 60.A N ASN 56.A O no hydrogen 2.892 N/A SER 61.A OG LEU 59.A O no hydrogen 3.522 N/A SER 61.A OG ILE 60.A O no hydrogen 2.826 N/A SER 61.A OG THR 148.A OG1 no hydrogen 2.783 N/A VAL 62.A N TYR 144.A O no hydrogen 3.316 N/A TYR 69.A N ALA 66.A O no hydrogen 2.794 N/A LYS 78.A N PRO 75.A O no hydrogen 2.650 N/A GLY 80.A N PRO 75.A O no hydrogen 2.952 N/A LEU 81.A N LEU 76.A O no hydrogen 3.045 N/A TRP 82.A N GLY 79.A O no hydrogen 2.918 N/A TRP 82.A NE1 PHE 142.A O no hydrogen 2.938 N/A GLN 83.A N GLY 79.A O no hydrogen 3.358 N/A GLN 83.A NE2 GLY 73.A O no hydrogen 2.941 N/A ILE 84.A N GLY 80.A O no hydrogen 3.139 N/A ILE 85.A N LEU 81.A O no hydrogen 3.103 N/A THR 86.A N TRP 82.A O no hydrogen 2.788 N/A THR 86.A OG1 TRP 82.A O no hydrogen 3.262 N/A THR 86.A OG1 TYR 144.A OH no hydrogen 2.888 N/A ILE 87.A N GLN 83.A O no hydrogen 2.938 N/A CYS 88.A N ILE 84.A O no hydrogen 3.118 N/A CYS 88.A SG ILE 84.A O no hydrogen 3.464 N/A ALA 89.A N ILE 85.A O no hydrogen 2.816 N/A THR 90.A N THR 86.A O no hydrogen 2.883 N/A THR 90.A OG1 THR 86.A O no hydrogen 3.508 N/A GLY 91.A N ILE 87.A O no hydrogen 2.829 N/A ALA 92.A N CYS 88.A O no hydrogen 2.825 N/A PHE 93.A N ALA 89.A O no hydrogen 2.881 N/A VAL 94.A N THR 90.A O no hydrogen 3.177 N/A SER 95.A N GLY 91.A O no hydrogen 3.086 N/A SER 95.A OG GLY 91.A O no hydrogen 3.074 N/A TRP 96.A N ALA 92.A O no hydrogen 3.112 N/A ALA 97.A N PHE 93.A O no hydrogen 2.964 N/A LEU 98.A N VAL 94.A O no hydrogen 3.102 N/A ARG 99.A N SER 95.A O no hydrogen 2.868 N/A GLU 100.A N TRP 96.A O no hydrogen 2.972 N/A VAL 101.A N ALA 97.A O no hydrogen 2.996 N/A GLU 102.A N LEU 98.A O no hydrogen 3.081 N/A ILE 103.A N ARG 99.A O no hydrogen 3.012 N/A CYS 104.A N GLU 100.A O no hydrogen 2.830 N/A CYS 104.A SG GLU 100.A O no hydrogen 3.234 N/A ARG 105.A N VAL 101.A O no hydrogen 2.913 N/A LYS 106.A N GLU 102.A O no hydrogen 3.056 N/A LYS 106.A NZ VAL 7.A O no hydrogen 3.030 N/A LYS 106.A NZ ASP 19.A OD1 no hydrogen 2.844 N/A LEU 107.A N ILE 103.A O no hydrogen 3.000 N/A HIS 112.A N GLY 110.A O no hydrogen 2.622 N/A PHE 115.A N TYR 111.A O no hydrogen 3.480 N/A ALA 116.A N HIS 112.A O no hydrogen 2.947 N/A PHE 117.A N ILE 113.A O no hydrogen 2.906 N/A ALA 118.A N PRO 114.A O no hydrogen 2.841 N/A PHE 119.A N ALA 116.A O no hydrogen 3.091 N/A ILE 121.A N PHE 117.A O no hydrogen 3.074 N/A LEU 122.A N ALA 118.A O no hydrogen 3.037 N/A ALA 123.A N PHE 119.A O no hydrogen 3.160 N/A TYR 124.A N ALA 120.A O no hydrogen 3.197 N/A TYR 124.A OH TYR 144.A OH no hydrogen 2.591 N/A LEU 125.A N ILE 121.A O no hydrogen 2.801 N/A THR 126.A N LEU 122.A O no hydrogen 2.863 N/A THR 126.A OG1 LEU 122.A O no hydrogen 2.848 N/A LEU 127.A N ALA 123.A O no hydrogen 3.458 N/A VAL 128.A N TYR 124.A O no hydrogen 3.109 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 3.085 N/A ARG 131.A N THR 126.A O no hydrogen 2.917 N/A VAL 133.A N LEU 129.A O no hydrogen 2.886 N/A MET 134.A N PHE 130.A O no hydrogen 2.853 N/A MET 135.A N ARG 131.A O no hydrogen 2.867 N/A GLY 136.A N VAL 133.A O no hydrogen 2.772 N/A ALA 137.A N PRO 132.A O no hydrogen 2.965 N/A TRP 138.A N GLY 70.A O no hydrogen 3.251 N/A TYR 140.A N ALA 137.A O no hydrogen 3.123 N/A ALA 141.A N TRP 138.A O no hydrogen 2.970 N/A TYR 144.A N VAL 62.A O no hydrogen 2.887 N/A TYR 144.A OH THR 86.A OG1 no hydrogen 2.888 N/A TYR 144.A OH TYR 124.A OH no hydrogen 2.591 N/A GLY 145.A N PRO 143.A O no hydrogen 2.980 N/A THR 148.A OG1 SER 61.A OG no hydrogen 2.783 N/A THR 148.A OG1 GLY 145.A O no hydrogen 3.343 N/A HIS 149.A N GLY 145.A O no hydrogen 3.239 N/A TRP 152.A N THR 148.A O no hydrogen 2.861 N/A VAL 153.A N HIS 149.A O no hydrogen 2.987 N/A SER 154.A N LEU 150.A O no hydrogen 2.849 N/A ASN 155.A N ASP 151.A O no hydrogen 3.167 N/A THR 156.A N TRP 152.A O no hydrogen 3.100 N/A THR 156.A OG1 TRP 152.A O no hydrogen 3.282 N/A GLY 157.A N VAL 153.A O no hydrogen 2.920 N/A TYR 158.A N SER 154.A O no hydrogen 2.909 N/A THR 159.A N ASN 155.A O no hydrogen 2.731 N/A THR 159.A OG1 ASN 155.A O no hydrogen 2.743 N/A TYR 160.A N GLY 157.A O no hydrogen 2.991 N/A GLY 161.A N TYR 158.A O no hydrogen 3.253 N/A HIS 164.A N ASN 162.A OD1 no hydrogen 2.922 N/A TYR 165.A N ASN 162.A O no hydrogen 3.236 N/A ASN 166.A N PHE 163.A O no hydrogen 3.100 N/A ASN 166.A ND2 CYS 243.A O no hydrogen 3.184 N/A HIS 169.A N ASN 166.A OD1 no hydrogen 3.095 N/A MET 170.A N ASN 166.A O no hydrogen 2.937 N/A ILE 171.A N PRO 167.A O no hydrogen 3.171 N/A ALA 172.A N ALA 168.A O no hydrogen 2.873 N/A ILE 173.A N HIS 169.A O no hydrogen 2.921 N/A SER 174.A N MET 170.A O no hydrogen 2.914 N/A SER 174.A OG MET 170.A O no hydrogen 2.751 N/A PHE 175.A N ILE 171.A O no hydrogen 2.897 N/A PHE 176.A N ALA 172.A O no hydrogen 3.086 N/A PHE 177.A N ILE 173.A O no hydrogen 3.047 N/A THR 178.A N SER 174.A O no hydrogen 3.043 N/A THR 178.A OG1 SER 174.A O no hydrogen 2.933 N/A ASN 179.A N PHE 175.A O no hydrogen 2.754 N/A ALA 180.A N PHE 176.A O no hydrogen 3.027 N/A LEU 181.A N PHE 177.A O no hydrogen 2.982 N/A ALA 182.A N THR 178.A O no hydrogen 2.810 N/A LEU 183.A N ASN 179.A O no hydrogen 2.985 N/A ALA 184.A N ALA 180.A O no hydrogen 3.056 N/A LEU 185.A N LEU 181.A O no hydrogen 3.078 N/A HIS 186.A N ALA 182.A O no hydrogen 2.844 N/A HIS 186.A NE2 HIS 226.A NE2 no hydrogen 3.063 N/A GLY 187.A N LEU 183.A O no hydrogen 2.977 N/A ALA 188.A N ALA 184.A O no hydrogen 2.821 N/A LEU 189.A N LEU 185.A O no hydrogen 2.984 N/A VAL 190.A N HIS 186.A O no hydrogen 3.477 N/A LEU 191.A N GLY 187.A O no hydrogen 3.151 N/A SER 192.A N ALA 188.A O no hydrogen 2.877 N/A SER 192.A OG ALA 188.A O no hydrogen 3.054 N/A SER 192.A OG LEU 189.A O no hydrogen 3.052 N/A ALA 193.A N LEU 189.A O no hydrogen 3.052 N/A ALA 194.A N VAL 190.A O no hydrogen 2.815 N/A ASN 195.A N LEU 191.A O no hydrogen 3.130 N/A ARG 203.A NH1 GLU 201.A O no hydrogen 2.913 N/A HIS 207.A N THR 204.A O no hydrogen 2.862 N/A ASP 209.A N PRO 205.A O no hydrogen 3.015 N/A THR 210.A N ASP 206.A O no hydrogen 2.906 N/A THR 210.A OG1 ASP 206.A O no hydrogen 2.739 N/A PHE 211.A N HIS 207.A O no hydrogen 2.862 N/A PHE 212.A N GLU 208.A O no hydrogen 2.967 N/A ARG 213.A N ASP 209.A O no hydrogen 3.021 N/A ASP 214.A N THR 210.A O no hydrogen 2.795 N/A LEU 215.A N PHE 211.A O no hydrogen 2.766 N/A VAL 216.A N PHE 212.A O no hydrogen 2.808 N/A GLY 217.A N ARG 213.A O no hydrogen 2.717 N/A SER 219.A OG ASP 209.A OD1 no hydrogen 2.714 N/A SER 219.A OG ILE 220.A O no hydrogen 3.465 N/A ILE 225.A N GLY 221.A O no hydrogen 2.663 N/A ARG 227.A N LEU 223.A O no hydrogen 2.993 N/A LEU 228.A N GLY 224.A O no hydrogen 2.781 N/A GLY 229.A N ILE 225.A O no hydrogen 2.994 N/A LEU 231.A N ARG 227.A O no hydrogen 3.027 N/A LEU 232.A N LEU 228.A O no hydrogen 2.811 N/A SER 233.A N GLY 229.A O no hydrogen 2.971 N/A SER 233.A OG GLY 229.A O no hydrogen 2.803 N/A SER 233.A OG LEU 230.A O no hydrogen 3.481 N/A LEU 234.A N LEU 230.A O no hydrogen 3.111 N/A SER 235.A N LEU 231.A O no hydrogen 2.929 N/A SER 235.A N LEU 232.A O no hydrogen 3.079 N/A SER 235.A OG LEU 231.A O no hydrogen 2.857 N/A SER 235.A OG LEU 232.A O no hydrogen 2.739 N/A ALA 236.A N LEU 232.A O no hydrogen 2.886 N/A VAL 237.A N SER 233.A O no hydrogen 3.148 N/A PHE 238.A N LEU 234.A O no hydrogen 3.034 N/A PHE 239.A N SER 235.A O no hydrogen 2.818 N/A SER 240.A N ALA 236.A O no hydrogen 3.072 N/A SER 240.A OG ALA 236.A O no hydrogen 2.806 N/A ALA 241.A N VAL 237.A O no hydrogen 3.030 N/A LEU 242.A N PHE 238.A O no hydrogen 2.923 N/A CYS 243.A N PHE 239.A O no hydrogen 3.070 N/A CYS 243.A SG SER 240.A O no hydrogen 3.189 N/A MET 244.A N SER 240.A O no hydrogen 3.405 N/A ILE 245.A N ALA 241.A O no hydrogen 3.278 N/A ILE 246.A N LEU 242.A O no hydrogen 2.982 N/A THR 247.A N CYS 243.A O no hydrogen 3.237 N/A THR 247.A N MET 244.A O no hydrogen 2.975 N/A THR 247.A OG1 CYS 243.A O no hydrogen 2.866 N/A THR 249.A N ILE 246.A O no hydrogen 3.245 N/A THR 249.A OG1 ILE 245.A O no hydrogen 2.924 N/A ILE 250.A N ILE 246.A O no hydrogen 2.922 N/A TRP 251.A N THR 247.A O no hydrogen 3.205 N/A TRP 255.A N TYR 160.A O no hydrogen 2.962 N/A TRP 255.A NE1 THR 247.A OG1 no hydrogen 3.297 N/A ASP 257.A N GLN 254.A O no hydrogen 2.891 N/A TRP 258.A N TRP 255.A O no hydrogen 2.898 N/A TRP 261.A N TRP 258.A O no hydrogen 2.825 N/A TRP 262.A N TRP 259.A O no hydrogen 3.092 N/A LYS 264.A N GLN 260.A O no hydrogen 3.249 N/A