Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jj0_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH ASN 4.A OD1 no hydrogen 3.047 N/A TYR 2.A OH PHE 6.A O no hydrogen 2.885 N/A ASN 4.A ND2 SER 226.A OG no hydrogen 3.024 N/A SER 7.A N TRP 40.A O no hydrogen 2.868 N/A GLN 10.A NE2 THR 36.A O no hydrogen 2.791 N/A ASP 16.A N GLN 45.A OE1 no hydrogen 2.953 N/A GLY 18.A N ASP 16.A OD1 no hydrogen 3.056 N/A ASP 22.A N ALA 138.A O no hydrogen 2.912 N/A VAL 23.A N THR 20.A O no hydrogen 2.809 N/A ALA 26.A N ASN 24.A OD1 no hydrogen 3.078 N/A ASN 27.A N ASN 24.A O no hydrogen 3.215 N/A ASN 27.A ND2 TYR 50.A OH no hydrogen 3.402 N/A ARG 28.A N LEU 25.A O no hydrogen 3.123 N/A ARG 28.A NH1 MET 19.A O no hydrogen 3.126 N/A ARG 28.A NH2 MET 19.A O no hydrogen 2.984 N/A SER 29.A N ILE 49.A O no hydrogen 2.882 N/A SER 29.A OG GLY 30.A O no hydrogen 2.733 N/A SER 29.A OG ILE 49.A O no hydrogen 3.389 N/A GLY 32.A N LEU 46.A O no hydrogen 2.831 N/A SER 35.A N ALA 44.A O no hydrogen 2.695 N/A LEU 38.A N SER 35.A OG no hydrogen 3.036 N/A GLY 39.A N SER 35.A O no hydrogen 2.939 N/A TRP 40.A N LEU 37.A O no hydrogen 3.143 N/A PHE 41.A N LEU 38.A O no hydrogen 2.725 N/A GLY 42.A N LEU 38.A O no hydrogen 2.806 N/A GLN 45.A NE2 ASP 16.A O no hydrogen 2.677 N/A GLN 45.A NE2 GLY 47.A O no hydrogen 3.561 N/A LEU 46.A N PRO 33.A O no hydrogen 3.181 N/A ILE 49.A N SER 29.A OG no hydrogen 3.048 N/A LEU 51.A N ASN 27.A O no hydrogen 2.860 N/A VAL 56.A N GLY 52.A O no hydrogen 3.176 N/A LEU 57.A N SER 53.A O no hydrogen 2.971 N/A SER 58.A N LEU 54.A O no hydrogen 3.304 N/A SER 58.A OG ALA 124.A O no hydrogen 2.669 N/A SER 58.A OG SER 127.A OG no hydrogen 3.067 N/A LEU 59.A N GLY 55.A O no hydrogen 3.001 N/A PHE 60.A N VAL 56.A O no hydrogen 2.956 N/A SER 61.A N LEU 57.A O no hydrogen 2.809 N/A SER 61.A OG LEU 57.A O no hydrogen 3.487 N/A SER 61.A OG PHE 120.A O no hydrogen 3.528 N/A GLY 62.A N SER 58.A O no hydrogen 2.817 N/A LEU 63.A N LEU 59.A O no hydrogen 3.102 N/A MET 64.A N PHE 60.A O no hydrogen 3.050 N/A TRP 65.A N SER 61.A O no hydrogen 3.021 N/A PHE 66.A N GLY 62.A O no hydrogen 3.130 N/A PHE 67.A N LEU 63.A O no hydrogen 2.716 N/A THR 68.A N MET 64.A O no hydrogen 2.701 N/A THR 68.A OG1 MET 64.A O no hydrogen 2.354 N/A ILE 69.A N TRP 65.A O no hydrogen 3.178 N/A GLY 70.A N PHE 66.A O no hydrogen 3.050 N/A ILE 71.A N PHE 67.A O no hydrogen 2.995 N/A TRP 72.A N THR 68.A O no hydrogen 3.455 N/A TRP 72.A NE1 SER 92.A O no hydrogen 2.846 N/A PHE 73.A N ILE 69.A O no hydrogen 2.813 N/A TRP 74.A N GLY 70.A O no hydrogen 2.837 N/A TYR 75.A N ILE 71.A O no hydrogen 2.843 N/A GLN 76.A N TRP 72.A O no hydrogen 2.656 N/A ALA 77.A N PHE 73.A O no hydrogen 2.933 N/A GLY 78.A N TYR 75.A O no hydrogen 2.964 N/A TRP 79.A N TRP 74.A O no hydrogen 2.907 N/A ALA 82.A N ASN 80.A OD1 no hydrogen 2.971 N/A PHE 84.A N ASN 80.A O no hydrogen 2.770 N/A LEU 85.A N PRO 81.A O no hydrogen 3.009 N/A ARG 86.A N ALA 82.A O no hydrogen 2.895 N/A ARG 86.A NE ASP 87.A OD1 no hydrogen 2.769 N/A ARG 86.A NH2 ASP 87.A OD2 no hydrogen 3.147 N/A ASP 87.A N VAL 83.A O no hydrogen 2.939 N/A PHE 90.A N ASP 87.A O no hydrogen 2.853 N/A SER 92.A N GLN 76.A OE1 no hydrogen 2.887 N/A SER 92.A OG GLU 94.A OE2 no hydrogen 2.540 N/A SER 92.A OG SER 180.A OG no hydrogen 2.791 N/A LEU 93.A N TYR 176.A O no hydrogen 2.767 N/A TYR 100.A N ALA 97.A O no hydrogen 3.287 N/A GLY 101.A N PRO 98.A O no hydrogen 2.986 N/A SER 103.A N TYR 100.A O no hydrogen 2.942 N/A SER 103.A OG TYR 100.A O no hydrogen 2.692 N/A GLU 110.A N PRO 107.A O no hydrogen 2.860 N/A GLY 112.A N PRO 107.A O no hydrogen 2.864 N/A LEU 113.A N LEU 108.A O no hydrogen 2.997 N/A TRP 114.A NE1 VAL 174.A O no hydrogen 3.271 N/A LEU 115.A N GLY 111.A O no hydrogen 3.154 N/A LEU 115.A N GLY 112.A O no hydrogen 3.119 N/A ILE 116.A N GLY 112.A O no hydrogen 3.081 N/A ALA 117.A N LEU 113.A O no hydrogen 2.994 N/A SER 118.A N TRP 114.A O no hydrogen 2.761 N/A SER 118.A OG TRP 114.A O no hydrogen 2.552 N/A SER 118.A OG TYR 176.A OH no hydrogen 2.627 N/A PHE 119.A N LEU 115.A O no hydrogen 2.532 N/A PHE 120.A N ILE 116.A O no hydrogen 2.891 N/A MET 121.A N ALA 117.A O no hydrogen 3.019 N/A PHE 122.A N SER 118.A O no hydrogen 2.976 N/A VAL 123.A N PHE 119.A O no hydrogen 3.169 N/A ALA 124.A N PHE 120.A O no hydrogen 3.091 N/A VAL 125.A N MET 121.A O no hydrogen 2.872 N/A TRP 126.A N PHE 122.A O no hydrogen 3.105 N/A SER 127.A N VAL 123.A O no hydrogen 3.166 N/A SER 127.A OG SER 58.A OG no hydrogen 3.067 N/A SER 127.A OG VAL 123.A O no hydrogen 2.555 N/A SER 127.A OG ALA 124.A O no hydrogen 2.988 N/A TRP 128.A N ALA 124.A O no hydrogen 2.999 N/A TRP 129.A N VAL 125.A O no hydrogen 2.794 N/A TRP 129.A NE1 ALA 146.A O no hydrogen 3.073 N/A GLY 130.A N TRP 126.A O no hydrogen 2.849 N/A ARG 131.A N SER 127.A O no hydrogen 3.093 N/A ARG 131.A NH2 TYR 50.A O no hydrogen 2.635 N/A THR 132.A N TRP 128.A O no hydrogen 2.953 N/A TYR 133.A N TRP 129.A O no hydrogen 3.175 N/A LEU 134.A N GLY 130.A O no hydrogen 2.920 N/A ARG 135.A N ARG 131.A O no hydrogen 2.988 N/A GLN 137.A N TYR 133.A O no hydrogen 3.066 N/A ALA 138.A N LEU 134.A O no hydrogen 2.949 N/A LEU 139.A N ARG 135.A O no hydrogen 3.390 N/A GLY 140.A N GLN 137.A O no hydrogen 3.027 N/A MET 141.A N ALA 136.A O no hydrogen 2.841 N/A LYS 143.A NZ MET 141.A O no hydrogen 2.790 N/A TRP 147.A N LYS 143.A O no hydrogen 2.925 N/A ALA 148.A N HIS 144.A O no hydrogen 2.635 N/A PHE 149.A N THR 145.A O no hydrogen 2.799 N/A LEU 150.A N ALA 146.A O no hydrogen 2.940 N/A SER 151.A N ALA 148.A O no hydrogen 3.133 N/A SER 151.A OG VAL 273.A O no hydrogen 2.483 N/A SER 151.A OG THR 276.A OG1 no hydrogen 2.819 N/A ILE 153.A N PHE 149.A O no hydrogen 2.977 N/A TRP 154.A N LEU 150.A O no hydrogen 2.762 N/A TRP 156.A N ALA 152.A O no hydrogen 3.244 N/A MET 157.A N ILE 153.A O no hydrogen 2.711 N/A VAL 158.A N TRP 154.A O no hydrogen 2.776 N/A LEU 159.A N LEU 155.A O no hydrogen 2.931 N/A LEU 159.A N TRP 156.A O no hydrogen 3.200 N/A GLY 160.A N TRP 156.A O no hydrogen 3.239 N/A PHE 161.A N MET 157.A O no hydrogen 3.032 N/A ILE 162.A N MET 157.A O no hydrogen 2.896 N/A ARG 163.A N VAL 158.A O no hydrogen 3.280 N/A ARG 163.A NE SER 286.A O no hydrogen 2.767 N/A ARG 163.A NH2 SER 286.A O no hydrogen 3.091 N/A ILE 165.A N PHE 161.A O no hydrogen 3.031 N/A LEU 166.A N ILE 162.A O no hydrogen 2.985 N/A MET 167.A N ARG 163.A O no hydrogen 2.889 N/A GLY 168.A N ILE 165.A O no hydrogen 3.117 N/A SER 169.A N PRO 164.A O no hydrogen 3.240 N/A SER 169.A OG SER 171.A OG no hydrogen 2.750 N/A SER 169.A OG GLU 172.A OE1 no hydrogen 3.460 N/A TRP 170.A N GLY 101.A O no hydrogen 3.067 N/A SER 171.A OG SER 169.A OG no hydrogen 2.750 N/A ALA 173.A N TRP 170.A O no hydrogen 2.951 N/A TYR 176.A N LEU 93.A O no hydrogen 2.878 N/A TYR 176.A OH SER 118.A OG no hydrogen 2.627 N/A PHE 179.A N PHE 89.A O no hydrogen 2.906 N/A SER 180.A OG SER 92.A OG no hydrogen 2.791 N/A HIS 181.A N GLY 177.A O no hydrogen 3.202 N/A HIS 181.A ND1 ILE 178.A O no hydrogen 2.801 N/A LEU 182.A N PHE 179.A O no hydrogen 3.129 N/A ASP 183.A N PHE 179.A O no hydrogen 3.056 N/A TRP 184.A N SER 180.A O no hydrogen 3.032 N/A THR 185.A OG1 HIS 181.A O no hydrogen 2.952 N/A ASN 186.A N LEU 182.A O no hydrogen 3.180 N/A ASN 187.A N ASP 183.A O no hydrogen 2.734 N/A PHE 188.A N TRP 184.A O no hydrogen 2.780 N/A SER 189.A N THR 185.A O no hydrogen 3.311 N/A LEU 190.A N ASN 186.A O no hydrogen 3.120 N/A VAL 191.A N ASN 187.A O no hydrogen 3.088 N/A HIS 192.A N PHE 188.A O no hydrogen 3.061 N/A HIS 192.A N SER 189.A O no hydrogen 3.261 N/A GLY 193.A N LEU 190.A O no hydrogen 3.457 N/A ASN 194.A N SER 189.A O no hydrogen 2.748 N/A LEU 195.A N SER 189.A OG no hydrogen 3.065 N/A PHE 196.A N ASN 194.A OD1 no hydrogen 2.943 N/A TYR 197.A N ASN 194.A O no hydrogen 2.937 N/A ASN 198.A N LEU 195.A O no hydrogen 2.931 N/A ASN 198.A ND2 GLY 282.A O no hydrogen 2.945 N/A PHE 200.A N ASN 198.A OD1 no hydrogen 2.804 N/A GLY 202.A N ASN 198.A O no hydrogen 3.163 N/A LEU 203.A N PRO 199.A O no hydrogen 3.178 N/A LEU 203.A N PHE 200.A O no hydrogen 3.060 N/A SER 204.A N PHE 200.A O no hydrogen 2.811 N/A SER 204.A OG VAL 275.A O no hydrogen 2.672 N/A ILE 205.A N HIS 201.A O no hydrogen 2.844 N/A ALA 206.A N GLY 202.A O no hydrogen 3.207 N/A PHE 207.A N LEU 203.A O no hydrogen 3.006 N/A LEU 208.A N SER 204.A O no hydrogen 2.968 N/A TYR 209.A N ILE 205.A O no hydrogen 2.760 N/A GLY 210.A N ALA 206.A O no hydrogen 2.732 N/A SER 211.A N PHE 207.A O no hydrogen 2.794 N/A SER 211.A N LEU 208.A O no hydrogen 3.064 N/A SER 211.A OG PHE 207.A O no hydrogen 2.730 N/A ALA 212.A N LEU 208.A O no hydrogen 3.247 N/A LEU 213.A N TYR 209.A O no hydrogen 2.915 N/A LEU 214.A N GLY 210.A O no hydrogen 2.849 N/A PHE 215.A N SER 211.A O no hydrogen 3.097 N/A ALA 216.A N ALA 212.A O no hydrogen 2.936 N/A MET 217.A N LEU 213.A O no hydrogen 2.926 N/A HIS 218.A N LEU 214.A O no hydrogen 2.863 N/A GLY 219.A N PHE 215.A O no hydrogen 2.859 N/A ALA 220.A N ALA 216.A O no hydrogen 2.944 N/A THR 221.A N MET 217.A O no hydrogen 2.844 N/A THR 221.A OG1 MET 217.A O no hydrogen 2.486 N/A ILE 222.A N HIS 218.A O no hydrogen 2.808 N/A LEU 223.A N GLY 219.A O no hydrogen 3.022 N/A ALA 224.A N ALA 220.A O no hydrogen 2.842 N/A VAL 225.A N THR 221.A O no hydrogen 2.949 N/A SER 226.A N LEU 223.A O no hydrogen 2.935 N/A SER 226.A OG LEU 223.A O no hydrogen 2.575 N/A PHE 228.A N VAL 225.A O no hydrogen 2.906 N/A GLY 229.A N SER 226.A O no hydrogen 3.092 N/A GLY 230.A N VAL 225.A O no hydrogen 3.227 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 2.737 N/A ARG 232.A N GLY 229.A O no hydrogen 3.151 N/A GLN 236.A N ARG 232.A O no hydrogen 3.084 N/A ILE 237.A N GLU 233.A O no hydrogen 2.823 N/A ALA 238.A N LEU 234.A O no hydrogen 3.073 N/A ASP 239.A N GLU 235.A O no hydrogen 2.940 N/A ARG 240.A NE GLU 245.A OE2 no hydrogen 3.028 N/A ARG 240.A NH2 GLU 245.A OE2 no hydrogen 3.066 N/A GLY 241.A N GLN 236.A OE1 no hydrogen 3.120 N/A ALA 244.A N GLN 236.A OE1 no hydrogen 2.888 N/A GLU 245.A N GLY 241.A O no hydrogen 3.102 N/A ARG 246.A N THR 242.A O no hydrogen 2.882 N/A ARG 246.A NE THR 242.A OG1 no hydrogen 2.650 N/A TRP 247.A N ALA 243.A O no hydrogen 3.076 N/A ALA 248.A N ALA 244.A O no hydrogen 2.939 N/A LEU 249.A N GLU 245.A O no hydrogen 3.028 N/A PHE 250.A N ARG 246.A O no hydrogen 2.725 N/A TRP 251.A NE1 THR 221.A OG1 no hydrogen 3.150 N/A ARG 252.A N ALA 248.A O no hydrogen 2.957 N/A TRP 253.A N LEU 249.A O no hydrogen 2.947 N/A THR 254.A N PHE 250.A O no hydrogen 2.999 N/A THR 254.A OG1 PHE 250.A O no hydrogen 2.690 N/A MET 255.A N TRP 251.A O no hydrogen 2.919 N/A GLY 256.A N TRP 251.A O no hydrogen 3.241 N/A GLY 263.A N THR 260.A OG1 no hydrogen 2.962 N/A ILE 264.A N THR 260.A O no hydrogen 3.092 N/A HIS 265.A N GLU 262.A O no hydrogen 2.835 N/A HIS 265.A ND1 MET 261.A O no hydrogen 2.785 N/A ARG 266.A NH2 GLU 262.A OE2 no hydrogen 2.994 N/A TRP 267.A N GLY 263.A O no hydrogen 3.117 N/A ALA 268.A N ILE 264.A O no hydrogen 2.773 N/A ILE 269.A N HIS 265.A O no hydrogen 2.767 N/A TRP 270.A N ARG 266.A O no hydrogen 3.048 N/A MET 271.A N TRP 267.A O no hydrogen 2.951 N/A ALA 272.A N ALA 268.A O no hydrogen 3.267 N/A VAL 273.A N ILE 269.A O no hydrogen 3.072 N/A LEU 274.A N TRP 270.A O no hydrogen 2.862 N/A VAL 275.A N ALA 272.A O no hydrogen 2.795 N/A THR 276.A OG1 SER 151.A O no hydrogen 2.885 N/A THR 276.A OG1 SER 151.A OG no hydrogen 2.819 N/A THR 276.A OG1 VAL 273.A O no hydrogen 3.374 N/A THR 278.A N LEU 274.A O no hydrogen 3.287 N/A THR 278.A OG1 LEU 274.A O no hydrogen 2.532 N/A THR 278.A OG1 VAL 275.A O no hydrogen 3.334 N/A GLY 279.A N VAL 275.A O no hydrogen 3.114 N/A GLY 280.A N THR 276.A O no hydrogen 2.994 N/A ILE 281.A N LEU 277.A O no hydrogen 3.315 N/A GLY 282.A N THR 278.A O no hydrogen 3.059 N/A ILE 283.A N GLY 279.A O no hydrogen 3.057 N/A LEU 284.A N GLY 280.A O no hydrogen 2.983 N/A LEU 285.A N ILE 281.A O no hydrogen 3.019 N/A SER 286.A N ILE 283.A O no hydrogen 2.862 N/A SER 286.A OG GLY 282.A O no hydrogen 2.599 N/A GLY 287.A N VAL 290.A O no hydrogen 2.727 N/A THR 288.A OG1 LEU 284.A O no hydrogen 2.515 N/A VAL 289.A N LEU 285.A O no hydrogen 2.975 N/A VAL 290.A N LEU 285.A O no hydrogen 3.105 N/A TRP 293.A N HIS 192.A O no hydrogen 3.014 N/A TRP 293.A NE1 SER 286.A OG no hydrogen 3.060 N/A TYR 294.A N GLY 193.A O no hydrogen 3.280 N/A VAL 295.A N ASN 292.A OD1 no hydrogen 2.916 N/A TRP 296.A N ASN 292.A O no hydrogen 2.950 N/A GLY 297.A N TRP 293.A O no hydrogen 3.093 N/A GLN 298.A N TYR 294.A O no hydrogen 3.102 N/A GLN 298.A N VAL 295.A O no hydrogen 2.918 N/A ASN 299.A N TRP 296.A O no hydrogen 2.955 N/A HIS 300.A N GLY 297.A O no hydrogen 3.486 N/A