Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jcu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N SER 2.A OG no hydrogen 3.299 N/A ARG 6.A N SER 2.A O no hydrogen 2.640 N/A PHE 7.A N LEU 3.A O no hydrogen 2.939 N/A CYS 8.A N TRP 4.A O no hydrogen 2.895 N/A CYS 8.A SG TRP 4.A O no hydrogen 3.163 N/A ASN 9.A N GLY 5.A O no hydrogen 2.939 N/A TRP 10.A N PHE 7.A O no hydrogen 2.859 N/A ILE 11.A N PHE 7.A O no hydrogen 2.913 N/A THR 12.A N CYS 8.A O no hydrogen 3.084 N/A THR 12.A OG1 CYS 8.A O no hydrogen 2.577 N/A SER 13.A N TRP 10.A O no hydrogen 3.401 N/A GLU 15.A N SER 13.A OG no hydrogen 3.162 N/A ASN 16.A ND2 TRP 10.A O no hydrogen 3.107 N/A ARG 17.A NH1 ARG 17.A O no hydrogen 2.370 N/A TYR 19.A OH GLU 122.A OE2 no hydrogen 2.837 N/A GLY 21.A N ILE 11.A O no hydrogen 3.288 N/A TRP 22.A N GLU 122.A OE2 no hydrogen 2.872 N/A PHE 23.A N GLU 122.A OE1 no hydrogen 3.123 N/A VAL 25.A N GLY 21.A O no hydrogen 2.948 N/A LEU 26.A N PHE 23.A O no hydrogen 3.315 N/A MET 27.A N PHE 23.A O no hydrogen 2.881 N/A ILE 28.A N GLY 24.A O no hydrogen 2.901 N/A THR 30.A OG1 LEU 26.A O no hydrogen 3.148 N/A THR 30.A OG1 MET 27.A O no hydrogen 2.408 N/A LEU 31.A N MET 27.A O no hydrogen 2.714 N/A LEU 32.A N ILE 28.A O no hydrogen 2.855 N/A THR 33.A N PRO 29.A O no hydrogen 2.927 N/A THR 33.A OG1 PRO 29.A O no hydrogen 2.475 N/A ALA 34.A N THR 30.A O no hydrogen 2.879 N/A THR 35.A N LEU 31.A O no hydrogen 2.869 N/A THR 35.A OG1 LEU 31.A O no hydrogen 2.527 N/A SER 36.A N LEU 32.A O no hydrogen 2.925 N/A SER 36.A OG LEU 32.A O no hydrogen 2.992 N/A SER 36.A OG THR 33.A O no hydrogen 2.829 N/A VAL 37.A N THR 33.A O no hydrogen 2.939 N/A PHE 38.A N ALA 34.A O no hydrogen 2.923 N/A ILE 39.A N THR 35.A O no hydrogen 2.883 N/A ILE 40.A N SER 36.A O no hydrogen 2.967 N/A ALA 41.A N VAL 37.A O no hydrogen 2.926 N/A PHE 42.A N PHE 38.A O no hydrogen 2.816 N/A ILE 43.A N ILE 39.A O no hydrogen 2.989 N/A ALA 44.A N ILE 40.A O no hydrogen 2.884 N/A ALA 45.A N ALA 41.A O no hydrogen 2.676 N/A VAL 48.A N VAL 57.A O no hydrogen 3.118 N/A ASP 49.A N TYR 97.A O no hydrogen 3.123 N/A ILE 50.A N VAL 48.A O no hydrogen 2.889 N/A GLY 52.A N ASP 49.A O no hydrogen 3.298 N/A ARG 54.A N ASP 49.A OD1 no hydrogen 2.817 N/A ARG 54.A N ASP 49.A OD2 no hydrogen 2.835 N/A GLU 55.A N ASP 49.A OD1 no hydrogen 3.382 N/A VAL 57.A N VAL 48.A O no hydrogen 2.445 N/A SER 58.A OG TYR 63.A O no hydrogen 2.721 N/A SER 60.A OG ALA 45.A O no hydrogen 2.579 N/A LEU 61.A N PHE 42.A O no hydrogen 2.878 N/A LEU 62.A N ILE 43.A O no hydrogen 3.024 N/A TYR 63.A N SER 60.A O no hydrogen 3.127 N/A ASN 65.A ND2 SER 60.A O no hydrogen 3.328 N/A ASN 66.A N SER 69.A OG no hydrogen 2.838 N/A SER 69.A N ASN 66.A OD1 no hydrogen 2.637 N/A SER 69.A OG ASN 65.A OD1 no hydrogen 2.946 N/A SER 69.A OG ASN 66.A OD1 no hydrogen 2.918 N/A GLY 70.A N ASN 66.A O no hydrogen 2.702 N/A ALA 71.A N GLY 59.A O no hydrogen 3.103 N/A ILE 72.A N LEU 164.A O no hydrogen 3.190 N/A THR 75.A OG1 ASN 98.A O no hydrogen 2.600 N/A SER 76.A N ASN 98.A O no hydrogen 2.610 N/A SER 76.A OG ASP 49.A O no hydrogen 2.984 N/A ALA 77.A N ILE 50.A O no hydrogen 2.923 N/A ALA 78.A N SER 76.A OG no hydrogen 3.120 N/A ILE 79.A N SER 76.A O no hydrogen 2.974 N/A HIS 82.A N ILE 79.A O no hydrogen 3.307 N/A TYR 84.A N GLU 103.A OE1 no hydrogen 3.267 N/A TYR 84.A N GLU 103.A OE2 no hydrogen 3.207 N/A ALA 89.A N ILE 86.A O no hydrogen 3.030 N/A GLU 94.A N SER 91.A OG no hydrogen 3.188 N/A TRP 95.A N SER 91.A O no hydrogen 2.984 N/A LEU 96.A N VAL 92.A O no hydrogen 2.902 N/A TYR 97.A N ASP 93.A O no hydrogen 2.949 N/A ASN 98.A ND2 GLU 94.A O no hydrogen 2.671 N/A GLY 99.A N LEU 96.A O no hydrogen 3.355 N/A GLY 100.A N TRP 95.A O no hydrogen 3.243 N/A TYR 102.A N GLY 99.A O no hydrogen 2.938 N/A TYR 102.A OH MET 162.A O no hydrogen 2.933 N/A LEU 104.A N GLY 100.A O no hydrogen 2.939 N/A ILE 105.A N PRO 101.A O no hydrogen 2.856 N/A VAL 106.A N TYR 102.A O no hydrogen 2.883 N/A LEU 107.A N GLU 103.A O no hydrogen 2.977 N/A HIS 108.A N LEU 104.A O no hydrogen 2.988 N/A HIS 108.A ND1 LEU 104.A O no hydrogen 2.834 N/A PHE 109.A N ILE 105.A O no hydrogen 2.821 N/A LEU 110.A N VAL 106.A O no hydrogen 2.924 N/A LEU 111.A N LEU 107.A O no hydrogen 3.019 N/A GLY 112.A N HIS 108.A O no hydrogen 2.923 N/A VAL 113.A N PHE 109.A O no hydrogen 2.840 N/A VAL 113.A N LEU 110.A O no hydrogen 3.296 N/A ALA 114.A N LEU 110.A O no hydrogen 2.980 N/A CYS 115.A N LEU 111.A O no hydrogen 2.985 N/A CYS 115.A SG LEU 111.A O no hydrogen 3.095 N/A TYR 116.A N GLY 112.A O no hydrogen 2.911 N/A MET 117.A N VAL 113.A O no hydrogen 2.932 N/A GLY 118.A N ALA 114.A O no hydrogen 2.992 N/A ARG 119.A N CYS 115.A O no hydrogen 2.905 N/A ARG 119.A NE ILE 20.A O no hydrogen 3.597 N/A ARG 119.A NH2 TYR 19.A O no hydrogen 2.168 N/A GLU 120.A N TYR 116.A O no hydrogen 2.978 N/A TRP 121.A N MET 117.A O no hydrogen 3.037 N/A GLU 122.A N GLY 118.A O no hydrogen 2.887 N/A LEU 123.A N ARG 119.A O no hydrogen 2.925 N/A SER 124.A N GLU 120.A O no hydrogen 2.995 N/A SER 124.A OG GLU 120.A O no hydrogen 3.350 N/A SER 124.A OG TRP 121.A O no hydrogen 2.344 N/A SER 124.A OG PRO 131.A O no hydrogen 3.525 N/A PHE 125.A N TRP 121.A O no hydrogen 2.918 N/A ARG 126.A N GLU 122.A O no hydrogen 2.912 N/A LEU 127.A N LEU 123.A O no hydrogen 2.907 N/A GLY 128.A N PHE 125.A O no hydrogen 3.281 N/A VAL 135.A N TRP 132.A O no hydrogen 3.182 N/A ALA 136.A N TRP 132.A O no hydrogen 3.357 N/A TYR 137.A N ILE 133.A O no hydrogen 2.929 N/A SER 138.A N VAL 135.A O no hydrogen 3.051 N/A SER 138.A OG VAL 135.A O no hydrogen 2.351 N/A ALA 139.A N ALA 136.A O no hydrogen 3.313 N/A VAL 141.A N TYR 137.A O no hydrogen 3.482 N/A ALA 142.A N SER 138.A O no hydrogen 2.757 N/A ALA 144.A N PRO 140.A O no hydrogen 2.897 N/A THR 145.A N VAL 141.A O no hydrogen 2.942 N/A THR 145.A OG1 VAL 141.A O no hydrogen 3.514 N/A THR 145.A OG1 ALA 142.A O no hydrogen 2.558 N/A ALA 146.A N ALA 142.A O no hydrogen 2.902 N/A VAL 147.A N ALA 143.A O no hydrogen 2.949 N/A VAL 147.A N ALA 144.A O no hydrogen 3.305 N/A PHE 148.A N ALA 144.A O no hydrogen 2.926 N/A LEU 149.A N THR 145.A O no hydrogen 2.808 N/A ILE 150.A N THR 145.A O no hydrogen 2.643 N/A TYR 151.A N ALA 146.A O no hydrogen 3.126 N/A TYR 151.A OH HIS 180.A NE2 no hydrogen 2.532 N/A ILE 153.A N LEU 149.A O no hydrogen 3.067 N/A GLY 154.A N ILE 150.A O no hydrogen 2.916 N/A GLN 155.A N PRO 152.A O no hydrogen 3.012 N/A GLN 155.A NE2 ALA 284.A O no hydrogen 2.930 N/A GLN 155.A NE2 ASN 286.A OD1 no hydrogen 3.058 N/A SER 157.A N PRO 152.A O no hydrogen 3.125 N/A SER 157.A OG SER 159.A OG no hydrogen 2.575 N/A SER 159.A N SER 157.A OG no hydrogen 2.979 N/A SER 159.A OG SER 157.A OG no hydrogen 2.575 N/A ASP 160.A N SER 157.A O no hydrogen 3.285 N/A GLY 161.A N PHE 158.A O no hydrogen 2.748 N/A MET 162.A N VAL 147.A O no hydrogen 3.345 N/A LEU 164.A N ILE 72.A O no hydrogen 3.346 N/A SER 167.A N ILE 68.A O no hydrogen 2.908 N/A SER 167.A OG ILE 68.A O no hydrogen 2.591 N/A THR 169.A N GLY 165.A O no hydrogen 2.616 N/A THR 169.A OG1 GLY 165.A O no hydrogen 2.343 N/A PHE 170.A N ILE 166.A O no hydrogen 3.007 N/A ASN 171.A N SER 167.A O no hydrogen 2.907 N/A PHE 172.A N GLY 168.A O no hydrogen 2.925 N/A MET 173.A N THR 169.A O no hydrogen 2.949 N/A ILE 174.A N PHE 170.A O no hydrogen 2.934 N/A VAL 175.A N ASN 171.A O no hydrogen 2.933 N/A PHE 176.A N PHE 172.A O no hydrogen 2.940 N/A GLN 177.A N MET 173.A O no hydrogen 2.933 N/A GLN 177.A NE2 ASN 181.A OD1 no hydrogen 2.917 N/A GLN 177.A NE2 ASN 315.A OD1 no hydrogen 2.773 N/A ALA 178.A N ILE 174.A O no hydrogen 2.915 N/A GLU 179.A N VAL 175.A O no hydrogen 2.949 N/A HIS 180.A N PHE 176.A O no hydrogen 2.884 N/A HIS 180.A ND1 ASN 288.A OD1 no hydrogen 2.631 N/A HIS 180.A NE2 TYR 151.A OH no hydrogen 2.532 N/A ASN 181.A N GLN 177.A O no hydrogen 2.995 N/A ASN 181.A ND2 PHE 290.A O no hydrogen 3.207 N/A LEU 183.A N GLN 177.A OE1 no hydrogen 3.329 N/A MET 184.A N ASN 181.A O no hydrogen 3.216 N/A HIS 185.A N ILE 182.A O no hydrogen 2.861 N/A HIS 188.A N HIS 185.A O no hydrogen 2.971 N/A LEU 190.A N PRO 186.A O no hydrogen 2.961 N/A GLY 191.A N PHE 187.A O no hydrogen 2.934 N/A VAL 192.A N HIS 188.A O no hydrogen 2.965 N/A ALA 193.A N MET 189.A O no hydrogen 2.806 N/A VAL 195.A N GLY 191.A O no hydrogen 2.907 N/A PHE 196.A N VAL 192.A O no hydrogen 2.871 N/A GLY 197.A N ALA 193.A O no hydrogen 2.880 N/A GLY 198.A N GLY 194.A O no hydrogen 2.910 N/A SER 199.A N VAL 195.A O no hydrogen 2.858 N/A SER 199.A OG VAL 195.A O no hydrogen 2.827 N/A LEU 200.A N PHE 196.A O no hydrogen 2.895 N/A PHE 201.A N GLY 197.A O no hydrogen 2.929 N/A SER 202.A N GLY 198.A O no hydrogen 2.896 N/A SER 202.A OG GLY 198.A O no hydrogen 2.635 N/A ALA 203.A N SER 199.A O no hydrogen 2.909 N/A MET 204.A N LEU 200.A O no hydrogen 2.884 N/A HIS 205.A N PHE 201.A O no hydrogen 2.864 N/A GLY 206.A N SER 202.A O no hydrogen 2.928 N/A SER 207.A N ALA 203.A O no hydrogen 2.893 N/A SER 207.A OG ALA 203.A O no hydrogen 2.691 N/A SER 207.A OG MET 204.A O no hydrogen 2.955 N/A LEU 208.A N MET 204.A O no hydrogen 2.885 N/A VAL 209.A N HIS 205.A O no hydrogen 2.927 N/A THR 210.A N GLY 206.A O no hydrogen 2.920 N/A THR 210.A OG1 GLY 206.A O no hydrogen 2.404 N/A SER 211.A N SER 207.A O no hydrogen 2.854 N/A SER 211.A OG SER 207.A O no hydrogen 2.524 N/A SER 212.A N VAL 209.A O no hydrogen 2.804 N/A SER 212.A OG SER 212.A O no hydrogen 2.463 N/A SER 212.A OG ASN 237.A O no hydrogen 2.463 N/A THR 217.A OG1 SER 222.A O no hydrogen 3.306 N/A GLU 221.A N THR 218.A O no hydrogen 2.912 N/A ASN 224.A N SER 222.A OG no hydrogen 3.157 N/A GLU 225.A N SER 222.A O no hydrogen 3.156 N/A GLY 226.A N ALA 223.A O no hydrogen 2.903 N/A GLN 231.A N ARG 228.A O no hydrogen 3.351 N/A GLN 231.A NE2 GLU 233.A O no hydrogen 3.455 N/A ASN 237.A N SER 212.A O no hydrogen 2.917 N/A VAL 239.A N ASN 237.A OD1 no hydrogen 3.213 N/A ALA 240.A N ASN 237.A OD1 no hydrogen 3.311 N/A ALA 241.A N ASN 237.A O no hydrogen 3.223 N/A HIS 242.A N ILE 238.A O no hydrogen 2.894 N/A GLY 243.A N VAL 239.A O no hydrogen 2.918 N/A TYR 244.A N ALA 240.A O no hydrogen 2.900 N/A PHE 245.A N ALA 241.A O no hydrogen 2.927 N/A GLY 246.A N HIS 242.A O no hydrogen 2.888 N/A ARG 247.A N GLY 243.A O no hydrogen 2.947 N/A LEU 248.A N TYR 244.A O no hydrogen 2.894 N/A LEU 248.A N PHE 245.A O no hydrogen 3.063 N/A SER 254.A OG PHE 255.A O no hydrogen 3.387 N/A PHE 255.A N SER 254.A OG no hydrogen 2.439 N/A SER 258.A OG HIS 262.A ND1 no hydrogen 3.137 N/A ARG 259.A N ASN 257.A OD1 no hydrogen 2.374 N/A HIS 262.A N SER 258.A O no hydrogen 2.897 N/A HIS 262.A ND1 SER 258.A O no hydrogen 2.769 N/A PHE 263.A N ARG 259.A O no hydrogen 2.917 N/A PHE 264.A N SER 260.A O no hydrogen 2.938 N/A LEU 265.A N LEU 261.A O no hydrogen 2.927 N/A ALA 266.A N HIS 262.A O no hydrogen 2.914 N/A ALA 267.A N PHE 263.A O no hydrogen 2.863 N/A ALA 267.A N PHE 264.A O no hydrogen 3.234 N/A TRP 268.A N PHE 264.A O no hydrogen 3.002 N/A TRP 268.A NE1 ALA 193.A O no hydrogen 2.498 N/A VAL 271.A N ALA 267.A O no hydrogen 2.750 N/A GLY 272.A N TRP 268.A O no hydrogen 3.004 N/A ILE 273.A N PRO 269.A O no hydrogen 2.917 N/A TRP 274.A N VAL 270.A O no hydrogen 2.900 N/A TRP 274.A NE1 SER 138.A OG no hydrogen 2.913 N/A PHE 275.A N VAL 271.A O no hydrogen 2.988 N/A THR 276.A N GLY 272.A O no hydrogen 2.960 N/A THR 276.A OG1 GLY 272.A O no hydrogen 3.542 N/A THR 276.A OG1 ILE 273.A O no hydrogen 3.224 N/A ALA 277.A N ILE 273.A O no hydrogen 2.939 N/A LEU 278.A N TRP 274.A O no hydrogen 2.969 N/A GLY 279.A N PHE 275.A O no hydrogen 2.825 N/A ILE 280.A N THR 276.A O no hydrogen 2.915 N/A SER 281.A N ALA 277.A O no hydrogen 2.961 N/A SER 281.A OG ALA 277.A O no hydrogen 2.771 N/A THR 282.A N LEU 278.A O no hydrogen 2.874 N/A THR 282.A N GLY 279.A O no hydrogen 3.202 N/A THR 282.A OG1 LEU 278.A O no hydrogen 2.947 N/A THR 282.A OG1 GLY 279.A O no hydrogen 2.958 N/A MET 283.A N GLY 279.A O no hydrogen 2.891 N/A ALA 284.A N ILE 280.A O no hydrogen 2.913 N/A PHE 285.A N THR 282.A O no hydrogen 2.868 N/A ASN 286.A N MET 283.A O no hydrogen 2.907 N/A LEU 287.A N THR 282.A O no hydrogen 3.181 N/A ASN 293.A N ASN 291.A OD1 no hydrogen 2.928 N/A GLN 294.A N ASP 309.A OD1 no hydrogen 3.205 N/A SER 295.A OG PHE 292.A O no hydrogen 2.368 N/A ASP 298.A N ARG 302.A O no hydrogen 3.083 N/A GLY 301.A N ASP 298.A O no hydrogen 2.766 N/A ARG 302.A NH1 ASP 298.A OD2 no hydrogen 3.391 N/A ILE 304.A N VAL 296.A O no hydrogen 3.171 N/A ASN 305.A ND2 ASP 309.A OD2 no hydrogen 3.315 N/A THR 306.A N ASP 309.A OD2 no hydrogen 3.251 N/A ASP 309.A N THR 306.A O no hydrogen 3.167 N/A ASP 309.A N THR 306.A OG1 no hydrogen 3.382 N/A ILE 311.A N TRP 307.A O no hydrogen 2.930 N/A ASN 312.A N ALA 308.A O no hydrogen 2.902 N/A ARG 313.A N ASP 309.A O no hydrogen 2.925 N/A ALA 314.A N ILE 310.A O no hydrogen 2.991 N/A ASN 315.A N ILE 311.A O no hydrogen 2.912 N/A ASN 315.A ND2 ASN 181.A OD1 no hydrogen 3.234 N/A LEU 316.A N ASN 312.A O no hydrogen 2.896 N/A GLY 317.A N ARG 313.A O no hydrogen 2.972 N/A MET 318.A N ALA 314.A O no hydrogen 2.968 N/A GLU 319.A N ASN 315.A O no hydrogen 2.915 N/A VAL 320.A N LEU 316.A O no hydrogen 2.916 N/A MET 321.A N GLY 317.A O no hydrogen 3.037 N/A HIS 322.A N MET 318.A O no hydrogen 2.953 N/A HIS 322.A NE2 ASP 332.A OD2 no hydrogen 2.628 N/A ALA 326.A N GLU 323.A O no hydrogen 3.245 N/A HIS 327.A ND1 GLU 323.A O no hydrogen 2.763 N/A