Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wjn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N ASN 2.A O no hydrogen 2.914 N/A ILE 6.A N LEU 3.A O no hydrogen 2.694 N/A ASN 7.A N LEU 3.A O no hydrogen 2.675 N/A LEU 9.A N LYS 5.A O no hydrogen 3.304 N/A THR 10.A N ILE 6.A O no hydrogen 2.856 N/A MET 14.A N THR 10.A O no hydrogen 3.147 N/A ALA 15.A N ALA 11.A O no hydrogen 3.050 N/A ALA 15.A N GLN 12.A O no hydrogen 3.206 N/A GLY 16.A N GLN 12.A O no hydrogen 3.186 N/A VAL 17.A N ASP 13.A O no hydrogen 2.739 N/A ASN 18.A N MET 14.A O no hydrogen 2.960 N/A ALA 19.A N ALA 15.A O no hydrogen 3.176 N/A ALA 20.A N GLY 16.A O no hydrogen 2.553 N/A ILE 21.A N VAL 17.A O no hydrogen 2.856 N/A LEU 22.A N ASN 18.A O no hydrogen 3.079 N/A GLU 23.A N ALA 19.A O no hydrogen 2.914 N/A GLN 24.A N ILE 21.A O no hydrogen 3.035 N/A SER 27.A N ASN 33.A OD1 no hydrogen 3.088 N/A VAL 29.A N SER 27.A OG no hydrogen 2.990 N/A ILE 32.A N VAL 29.A O no hydrogen 3.054 N/A ASN 33.A ND2 SER 27.A O no hydrogen 2.745 N/A GLN 34.A N GLN 30.A O no hydrogen 3.016 N/A LEU 35.A N LEU 31.A O no hydrogen 3.108 N/A GLY 36.A N ILE 32.A O no hydrogen 2.793 N/A TYR 37.A N ASN 33.A O no hydrogen 2.736 N/A TYR 38.A N GLN 34.A O no hydrogen 2.782 N/A TYR 38.A OH ALA 97.A O no hydrogen 2.704 N/A ILE 39.A N LEU 35.A O no hydrogen 3.045 N/A VAL 40.A N GLY 36.A O no hydrogen 2.901 N/A SER 41.A N TYR 37.A O no hydrogen 3.119 N/A SER 41.A OG TYR 37.A O no hydrogen 3.069 N/A LYS 45.A NZ GLU 74.A OE2 no hydrogen 2.764 N/A ARG 46.A NH1 VAL 40.A O no hydrogen 3.553 N/A MET 50.A N ARG 46.A O no hydrogen 3.166 N/A ILE 51.A N ILE 47.A O no hydrogen 3.044 N/A ALA 52.A N ARG 48.A O no hydrogen 3.370 N/A VAL 53.A N PRO 49.A O no hydrogen 3.046 N/A LEU 54.A N MET 50.A O no hydrogen 2.969 N/A ALA 55.A N ILE 51.A O no hydrogen 2.753 N/A ALA 56.A N ALA 52.A O no hydrogen 3.101 N/A ARG 57.A N VAL 53.A O no hydrogen 3.139 N/A ARG 57.A NE ASP 13.A OD2 no hydrogen 3.177 N/A ARG 57.A NH1 TYR 61.A O no hydrogen 2.880 N/A ARG 57.A NH2 ASP 13.A OD1 no hydrogen 3.135 N/A ARG 57.A NH2 ASP 13.A OD2 no hydrogen 3.171 N/A ALA 58.A N LEU 54.A O no hydrogen 2.748 N/A VAL 59.A N ALA 56.A O no hydrogen 3.277 N/A GLY 60.A N ARG 57.A O no hydrogen 3.073 N/A TYR 61.A N ALA 56.A O no hydrogen 3.198 N/A ALA 65.A N TYR 61.A OH no hydrogen 2.620 N/A ILE 69.A N ALA 65.A O no hydrogen 3.176 N/A ALA 70.A N HIS 66.A O no hydrogen 2.992 N/A ALA 71.A N VAL 67.A O no hydrogen 3.101 N/A ALA 71.A N THR 68.A O no hydrogen 3.243 N/A LEU 72.A N THR 68.A O no hydrogen 3.216 N/A ILE 73.A N ILE 69.A O no hydrogen 3.284 N/A GLU 74.A N ALA 70.A O no hydrogen 3.348 N/A PHE 75.A N ALA 71.A O no hydrogen 2.972 N/A ILE 76.A N LEU 72.A O no hydrogen 2.773 N/A HIS 77.A N ILE 73.A O no hydrogen 2.904 N/A THR 78.A N GLU 74.A O no hydrogen 2.617 N/A THR 78.A OG1 GLU 74.A O no hydrogen 2.579 N/A ALA 79.A N PHE 75.A O no hydrogen 2.709 N/A THR 80.A N ILE 76.A O no hydrogen 3.004 N/A THR 80.A OG1 HIS 77.A O no hydrogen 2.618 N/A LEU 81.A N HIS 77.A O no hydrogen 3.146 N/A LEU 82.A N THR 78.A O no hydrogen 3.087 N/A HIS 83.A N ALA 79.A O no hydrogen 2.904 N/A HIS 83.A NE2 VAL 109.A O no hydrogen 2.795 N/A ASP 84.A N THR 80.A O no hydrogen 2.690 N/A ASP 85.A N LEU 81.A O no hydrogen 2.731 N/A VAL 86.A N LEU 82.A O no hydrogen 3.183 N/A VAL 87.A N HIS 83.A O no hydrogen 3.068 N/A ASP 88.A N ASP 84.A O no hydrogen 2.672 N/A SER 90.A N ASP 85.A O no hydrogen 2.985 N/A SER 90.A OG ASP 85.A OD1 no hydrogen 3.380 N/A ARG 93.A N LYS 96.A O no hydrogen 2.807 N/A ARG 93.A NE ASP 85.A OD2 no hydrogen 2.926 N/A ARG 93.A NH2 ASP 85.A OD1 no hydrogen 3.272 N/A THR 98.A N ASP 91.A O no hydrogen 3.337 N/A THR 98.A OG1 SER 90.A O no hydrogen 2.618 N/A ASN 100.A ND2 ASP 85.A O no hydrogen 3.476 N/A ASN 100.A ND2 SER 90.A O no hydrogen 2.956 N/A ALA 101.A N THR 98.A OG1 no hydrogen 3.429 N/A ALA 102.A N THR 98.A O no hydrogen 3.370 N/A PHE 103.A N ALA 99.A O no hydrogen 2.737 N/A GLY 104.A N ASN 100.A O no hydrogen 2.551 N/A SER 108.A N GLY 104.A O no hydrogen 3.151 N/A SER 108.A OG GLY 104.A O no hydrogen 3.453 N/A VAL 109.A N ASN 105.A O no hydrogen 2.871 N/A LEU 110.A N ALA 106.A O no hydrogen 2.874 N/A VAL 111.A N ALA 107.A O no hydrogen 2.907 N/A GLY 112.A N SER 108.A O no hydrogen 2.818 N/A ASP 113.A N VAL 109.A O no hydrogen 3.060 N/A PHE 114.A N LEU 110.A O no hydrogen 2.931 N/A ILE 115.A N VAL 111.A O no hydrogen 2.926 N/A TYR 116.A N GLY 112.A O no hydrogen 2.996 N/A THR 117.A N ASP 113.A O no hydrogen 3.044 N/A THR 117.A OG1 ASP 113.A O no hydrogen 2.968 N/A THR 117.A OG1 PHE 114.A O no hydrogen 2.815 N/A ARG 118.A N PHE 114.A O no hydrogen 2.860 N/A ARG 118.A NE GLN 121.A OE1 no hydrogen 2.905 N/A ARG 118.A NH1 GLN 24.A OE1 no hydrogen 3.075 N/A ALA 119.A N ILE 115.A O no hydrogen 2.901 N/A PHE 120.A N TYR 116.A O no hydrogen 2.931 N/A GLN 121.A N THR 117.A O no hydrogen 2.777 N/A MET 122.A N ARG 118.A O no hydrogen 2.750 N/A MET 123.A N ALA 119.A O no hydrogen 2.964 N/A MET 123.A N PHE 120.A O no hydrogen 3.218 N/A THR 124.A N PHE 120.A O no hydrogen 3.158 N/A THR 124.A OG1 GLN 121.A O no hydrogen 2.783 N/A SER 125.A N GLN 121.A O no hydrogen 2.979 N/A SER 125.A OG MET 122.A O no hydrogen 2.713 N/A LEU 126.A N MET 123.A O no hydrogen 2.954 N/A GLY 127.A N THR 124.A O no hydrogen 2.625 N/A LYS 130.A NZ GLU 187.A OE1 no hydrogen 2.736 N/A LEU 132.A N SER 128.A O no hydrogen 3.124 N/A GLU 133.A N LEU 129.A O no hydrogen 2.989 N/A VAL 134.A N LYS 130.A O no hydrogen 2.802 N/A MET 135.A N VAL 131.A O no hydrogen 2.694 N/A SER 136.A N LEU 132.A O no hydrogen 3.049 N/A SER 136.A OG LEU 132.A O no hydrogen 3.100 N/A SER 136.A OG GLU 133.A O no hydrogen 3.543 N/A ALA 138.A N VAL 134.A O no hydrogen 3.049 N/A VAL 139.A N MET 135.A O no hydrogen 3.010 N/A ASN 140.A N SER 136.A O no hydrogen 2.945 N/A VAL 141.A N GLU 137.A O no hydrogen 2.787 N/A ILE 142.A N ALA 138.A O no hydrogen 2.974 N/A ALA 143.A N VAL 139.A O no hydrogen 3.015 N/A GLU 144.A N ASN 140.A O no hydrogen 2.854 N/A GLY 145.A N VAL 141.A O no hydrogen 3.118 N/A GLU 146.A N ILE 142.A O no hydrogen 3.077 N/A VAL 147.A N ALA 143.A O no hydrogen 3.048 N/A LEU 148.A N GLU 144.A O no hydrogen 3.082 N/A GLN 149.A N GLY 145.A O no hydrogen 3.100 N/A MET 151.A N LEU 148.A O no hydrogen 3.014 N/A TYR 157.A N THR 153.A O no hydrogen 3.147 N/A TYR 157.A OH ASP 206.A OD2 no hydrogen 2.259 N/A MET 158.A N GLU 154.A O no hydrogen 2.892 N/A ARG 159.A N ASN 156.A O no hydrogen 3.203 N/A VAL 160.A N ASN 156.A O no hydrogen 3.025 N/A ILE 161.A N TYR 157.A O no hydrogen 3.139 N/A TYR 162.A N ARG 159.A O no hydrogen 3.178 N/A TYR 162.A OH GLU 170.A OE1 no hydrogen 2.619 N/A TYR 162.A OH GLU 170.A OE2 no hydrogen 3.367 N/A SER 163.A N ARG 159.A O no hydrogen 3.460 N/A THR 165.A N ILE 161.A O no hydrogen 2.908 N/A THR 165.A OG1 GLN 202.A OE1 no hydrogen 2.699 N/A ALA 166.A N ILE 161.A O no hydrogen 3.160 N/A ARG 167.A N TYR 162.A O no hydrogen 2.692 N/A ARG 167.A NH2 GLU 137.A OE2 no hydrogen 3.136 N/A LEU 168.A N THR 165.A O no hydrogen 3.223 N/A GLU 170.A N ALA 166.A O no hydrogen 2.865 N/A ALA 171.A N ARG 167.A O no hydrogen 3.010 N/A ALA 172.A N LEU 168.A O no hydrogen 2.864 N/A ALA 173.A N PHE 169.A O no hydrogen 3.214 N/A GLN 174.A N GLU 170.A O no hydrogen 3.104 N/A CYS 175.A N ALA 171.A O no hydrogen 2.918 N/A CYS 175.A SG VAL 131.A O no hydrogen 4.010 N/A CYS 175.A SG ALA 171.A O no hydrogen 3.443 N/A SER 176.A OG ALA 52.A O no hydrogen 2.559 N/A GLY 177.A N ALA 173.A O no hydrogen 3.086 N/A ILE 178.A N GLN 174.A O no hydrogen 2.864 N/A LEU 179.A N CYS 175.A O no hydrogen 3.124 N/A ALA 180.A N GLY 177.A O no hydrogen 3.103 N/A GLY 181.A N GLY 177.A O no hydrogen 3.041 N/A CYS 182.A N GLY 177.A O no hydrogen 3.105 N/A CYS 182.A SG THR 183.A O no hydrogen 3.518 N/A THR 183.A N GLU 186.A OE1 no hydrogen 2.719 N/A GLU 187.A N THR 183.A O no hydrogen 2.925 N/A LYS 188.A N PRO 184.A O no hydrogen 3.266 N/A LYS 188.A NZ ASP 192.A OD1 no hydrogen 3.370 N/A GLY 189.A N GLU 185.A O no hydrogen 2.750 N/A LEU 190.A N GLU 186.A O no hydrogen 2.739 N/A GLN 191.A N GLU 187.A O no hydrogen 2.888 N/A GLN 191.A NE2 GLU 170.A OE2 no hydrogen 3.137 N/A ASP 192.A N LYS 188.A O no hydrogen 3.250 N/A TYR 193.A N GLY 189.A O no hydrogen 3.107 N/A TYR 193.A OH LEU 298.A O no hydrogen 2.512 N/A GLY 194.A N LEU 190.A O no hydrogen 2.987 N/A ARG 195.A N GLN 191.A O no hydrogen 2.955 N/A ARG 195.A NH2 ASP 192.A OD1 no hydrogen 2.868 N/A TYR 196.A N ASP 192.A O no hydrogen 2.804 N/A LEU 197.A N TYR 193.A O no hydrogen 2.793 N/A GLY 198.A N GLY 194.A O no hydrogen 2.905 N/A THR 199.A N ARG 195.A O no hydrogen 2.998 N/A THR 199.A OG1 ARG 195.A O no hydrogen 2.676 N/A ALA 200.A N TYR 196.A O no hydrogen 2.706 N/A PHE 201.A N LEU 197.A O no hydrogen 2.620 N/A GLN 202.A N GLY 198.A O no hydrogen 3.123 N/A GLN 202.A NE2 ASP 206.A OD1 no hydrogen 2.877 N/A GLN 202.A NE2 ASP 206.A OD2 no hydrogen 3.534 N/A LEU 203.A N THR 199.A O no hydrogen 3.048 N/A ILE 204.A N ALA 200.A O no hydrogen 2.981 N/A ASP 205.A N PHE 201.A O no hydrogen 2.995 N/A ASP 206.A N GLN 202.A O no hydrogen 2.838 N/A LEU 207.A N LEU 203.A O no hydrogen 3.171 N/A LEU 208.A N ILE 204.A O no hydrogen 2.899 N/A ASP 209.A N ASP 206.A O no hydrogen 3.115 N/A TYR 210.A N LEU 207.A O no hydrogen 3.143 N/A ASN 213.A ND2 MET 92.A O no hydrogen 3.084 N/A GLY 215.A N ASP 209.A O no hydrogen 2.598 N/A ASP 217.A N ASP 209.A OD2 no hydrogen 3.046 N/A GLY 221.A N LEU 218.A O no hydrogen 2.753 N/A LYS 222.A N ASP 217.A O no hydrogen 3.131 N/A THR 224.A N LYS 222.A O no hydrogen 2.938 N/A LEU 228.A N THR 224.A O no hydrogen 3.177 N/A HIS 229.A N LEU 225.A O no hydrogen 3.073 N/A ALA 230.A N PRO 226.A O no hydrogen 3.208 N/A MET 231.A N LEU 227.A O no hydrogen 3.138 N/A HIS 232.A N LEU 228.A O no hydrogen 3.068 N/A HIS 233.A N HIS 229.A O no hydrogen 3.035 N/A HIS 233.A ND1 HIS 229.A O no hydrogen 2.992 N/A GLY 234.A N ALA 230.A O no hydrogen 2.887 N/A THR 235.A N GLN 238.A OE1 no hydrogen 3.077 N/A THR 235.A OG1 GLU 237.A OE2 no hydrogen 3.428 N/A GLN 238.A N THR 235.A OG1 no hydrogen 3.140 N/A ALA 239.A N THR 235.A O no hydrogen 2.699 N/A GLN 240.A N PRO 236.A O no hydrogen 3.074 N/A MET 241.A N GLU 237.A O no hydrogen 2.871 N/A ILE 242.A N GLN 238.A O no hydrogen 3.159 N/A ARG 243.A N ALA 239.A O no hydrogen 3.185 N/A THR 244.A N GLN 240.A O no hydrogen 3.059 N/A THR 244.A OG1 GLN 240.A O no hydrogen 3.248 N/A THR 244.A OG1 MET 241.A O no hydrogen 3.101 N/A ALA 245.A N MET 241.A O no hydrogen 3.017 N/A ILE 246.A N ILE 242.A O no hydrogen 3.009 N/A GLU 247.A N ARG 243.A O no hydrogen 2.920 N/A GLN 248.A N THR 244.A O no hydrogen 2.831 N/A GLY 249.A N ILE 246.A O no hydrogen 2.936 N/A ASN 250.A N ALA 245.A O no hydrogen 2.872 N/A GLY 251.A N ASN 219.A O no hydrogen 3.265 N/A ARG 252.A N ASN 250.A OD1 no hydrogen 2.986 N/A ARG 252.A NE ASN 250.A OD1 no hydrogen 3.546 N/A ARG 252.A NH2 ASN 219.A O no hydrogen 3.058 N/A LEU 254.A N GLY 251.A O no hydrogen 3.131 N/A VAL 258.A N LEU 254.A O no hydrogen 3.007 N/A LEU 259.A N LEU 255.A O no hydrogen 2.854 N/A GLU 260.A N GLU 256.A O no hydrogen 3.045 N/A ALA 261.A N PRO 257.A O no hydrogen 3.047 N/A MET 262.A N VAL 258.A O no hydrogen 2.838 N/A ASN 263.A N LEU 259.A O no hydrogen 2.747 N/A ALA 264.A N GLU 260.A O no hydrogen 2.957 N/A CYS 265.A N ALA 261.A O no hydrogen 3.185 N/A CYS 265.A SG ALA 230.A O no hydrogen 3.997 N/A CYS 265.A SG ALA 261.A O no hydrogen 3.085 N/A SER 267.A N MET 262.A O no hydrogen 2.912 N/A TRP 270.A N GLY 266.A O no hydrogen 3.151 N/A THR 271.A N SER 267.A O no hydrogen 3.213 N/A THR 271.A OG1 SER 267.A O no hydrogen 2.908 N/A ARG 272.A N LEU 268.A O no hydrogen 2.825 N/A GLN 273.A N GLU 269.A O no hydrogen 2.810 N/A ARG 274.A N TRP 270.A O no hydrogen 3.130 N/A ALA 275.A N THR 271.A O no hydrogen 2.888 N/A GLU 276.A N ARG 272.A O no hydrogen 3.006 N/A GLU 277.A N GLN 273.A O no hydrogen 2.980 N/A GLU 278.A N ARG 274.A O no hydrogen 3.265 N/A ALA 279.A N ALA 275.A O no hydrogen 2.949 N/A ASP 280.A N GLU 276.A O no hydrogen 2.958 N/A LYS 281.A N GLU 277.A O no hydrogen 3.238 N/A LYS 281.A NZ GLU 278.A OE2 no hydrogen 3.005 N/A ALA 282.A N GLU 278.A O no hydrogen 3.005 N/A ILE 283.A N ALA 279.A O no hydrogen 3.072 N/A ALA 284.A N ASP 280.A O no hydrogen 2.673 N/A ALA 285.A N ALA 282.A O no hydrogen 3.343 N/A LEU 286.A N ILE 283.A O no hydrogen 3.195 N/A LEU 289.A N LEU 286.A O no hydrogen 3.110 N/A ARG 295.A N THR 292.A OG1 no hydrogen 3.340 N/A GLU 296.A N THR 292.A O no hydrogen 2.912 N/A ALA 297.A N PRO 293.A O no hydrogen 2.739 N/A LEU 298.A N TRP 294.A O no hydrogen 2.870 N/A ILE 299.A N ARG 295.A O no hydrogen 3.107 N/A GLY 300.A N GLU 296.A O no hydrogen 2.878 N/A LEU 301.A N ALA 297.A O no hydrogen 2.726 N/A HIS 303.A N ILE 299.A O no hydrogen 2.990 N/A ILE 304.A N GLY 300.A O no hydrogen 2.812 N/A ALA 305.A N LEU 301.A O no hydrogen 3.066 N/A VAL 306.A N HIS 303.A O no hydrogen 3.111 N/A