Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5mdx_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N PHE 1.A O no hydrogen 2.951 N/A ASP 6.A N ASP 2.A O no hydrogen 2.902 N/A TRP 7.A N ILE 3.A O no hydrogen 2.879 N/A LEU 8.A N MET 4.A O no hydrogen 2.936 N/A ARG 9.A N ASP 5.A O no hydrogen 2.977 N/A ARG 9.A NE ASP 5.A OD2 no hydrogen 2.707 N/A ARG 9.A NH2 ASP 5.A OD2 no hydrogen 2.675 N/A ARG 12.A N ARG 10.A O no hydrogen 2.841 N/A ARG 12.A NH2 TRP 7.A O no hydrogen 2.708 N/A SER 19.A OG VAL 16.A O no hydrogen 3.538 N/A SER 19.A OG GLU 117.A OE1 no hydrogen 3.371 N/A GLY 20.A N GLY 17.A O no hydrogen 2.940 N/A LEU 21.A N GLY 17.A O no hydrogen 2.997 N/A LEU 22.A N TRP 18.A O no hydrogen 3.009 N/A LEU 23.A N SER 19.A O no hydrogen 2.818 N/A PHE 24.A N GLY 20.A O no hydrogen 2.938 N/A CYS 26.A SG LEU 22.A O no hydrogen 3.236 N/A ALA 27.A N LEU 23.A O no hydrogen 3.123 N/A TYR 28.A N PHE 24.A O no hydrogen 2.937 N/A PHE 29.A N PRO 25.A O no hydrogen 2.912 N/A ALA 30.A N CYS 26.A O no hydrogen 2.926 N/A LEU 31.A N ALA 27.A O no hydrogen 2.904 N/A GLY 32.A N TYR 28.A O no hydrogen 2.979 N/A GLY 33.A N PHE 29.A O no hydrogen 2.903 N/A TRP 34.A N ALA 30.A O no hydrogen 2.936 N/A PHE 35.A N LEU 31.A O no hydrogen 2.940 N/A THR 36.A N GLY 32.A O no hydrogen 3.012 N/A THR 36.A OG1 GLY 32.A O no hydrogen 3.002 N/A GLY 37.A N GLY 33.A O no hydrogen 2.886 N/A THR 38.A N TRP 34.A O no hydrogen 2.915 N/A THR 38.A OG1 TRP 34.A O no hydrogen 2.513 N/A THR 38.A OG1 PHE 35.A O no hydrogen 3.147 N/A THR 39.A N THR 36.A O no hydrogen 3.251 N/A THR 39.A OG1 PHE 35.A O no hydrogen 2.312 N/A PHE 40.A N THR 36.A O no hydrogen 2.878 N/A VAL 41.A N THR 36.A O no hydrogen 3.258 N/A THR 42.A OG1 LEU 49.A O no hydrogen 3.339 N/A THR 42.A OG1 GLU 55.A OE1 no hydrogen 2.689 N/A THR 42.A OG1 GLU 55.A OE2 no hydrogen 3.407 N/A SER 43.A OG SER 51.A OG no hydrogen 2.667 N/A SER 43.A OG SER 65.A OG no hydrogen 2.379 N/A HIS 47.A N SER 43.A O no hydrogen 2.987 N/A HIS 47.A NE2 THR 66.A OG1 no hydrogen 3.017 N/A GLY 48.A N TRP 44.A O no hydrogen 2.956 N/A LEU 49.A N SER 43.A O no hydrogen 2.701 N/A SER 51.A N THR 42.A OG1 no hydrogen 2.927 N/A SER 51.A OG SER 43.A OG no hydrogen 2.667 N/A SER 51.A OG ALA 63.A O no hydrogen 3.106 N/A GLU 55.A N SER 52.A O no hydrogen 2.944 N/A GLY 56.A N TYR 53.A O no hydrogen 2.929 N/A CYS 57.A N SER 52.A O no hydrogen 3.263 N/A CYS 57.A SG SER 52.A O no hydrogen 3.318 N/A ASN 58.A N THR 61.A OG1 no hydrogen 3.011 N/A THR 61.A N ASN 58.A OD1 no hydrogen 2.731 N/A THR 61.A OG1 ASN 58.A OD1 no hydrogen 2.569 N/A VAL 64.A N PHE 159.A O no hydrogen 2.834 N/A SER 65.A OG SER 43.A OG no hydrogen 2.379 N/A THR 66.A OG1 HIS 47.A NE2 no hydrogen 3.017 N/A LEU 71.A N ALA 68.A O no hydrogen 2.960 N/A SER 74.A OG GLU 82.A OE1 no hydrogen 3.541 N/A LEU 76.A N SER 74.A OG no hydrogen 3.266 N/A GLY 80.A N LEU 77.A O no hydrogen 3.390 N/A GLU 82.A N GLU 82.A OE1 no hydrogen 2.809 N/A ALA 83.A N GLY 80.A O no hydrogen 3.042 N/A GLN 84.A N GLY 80.A O no hydrogen 2.545 N/A GLY 85.A N LEU 78.A O no hydrogen 2.847 N/A TRP 90.A N ASP 86.A O no hydrogen 2.839 N/A TRP 90.A NE1 LEU 76.A O no hydrogen 2.412 N/A CYS 91.A N PHE 87.A O no hydrogen 2.915 N/A CYS 91.A SG PHE 87.A O no hydrogen 3.165 N/A GLN 92.A N THR 88.A O no hydrogen 2.963 N/A LEU 93.A N ARG 89.A O no hydrogen 2.959 N/A GLY 95.A N TRP 90.A O no hydrogen 3.088 N/A ALA 98.A N GLY 94.A O no hydrogen 3.053 N/A PHE 99.A N GLY 95.A O no hydrogen 2.902 N/A VAL 100.A N LEU 96.A O no hydrogen 2.904 N/A ALA 101.A N TRP 97.A O no hydrogen 2.947 N/A LEU 102.A N ALA 98.A O no hydrogen 2.931 N/A HIS 103.A N PHE 99.A O no hydrogen 2.973 N/A HIS 103.A ND1 PHE 99.A O no hydrogen 2.758 N/A GLY 104.A N VAL 100.A O no hydrogen 2.848 N/A ALA 105.A N ALA 101.A O no hydrogen 2.985 N/A PHE 106.A N LEU 102.A O no hydrogen 3.050 N/A ALA 107.A N HIS 103.A O no hydrogen 2.909 N/A LEU 108.A N GLY 104.A O no hydrogen 2.937 N/A ILE 109.A N ALA 105.A O no hydrogen 3.086 N/A GLY 110.A N PHE 106.A O no hydrogen 2.921 N/A PHE 111.A N ALA 107.A O no hydrogen 2.939 N/A MET 112.A N LEU 108.A O no hydrogen 2.987 N/A LEU 113.A N ILE 109.A O no hydrogen 2.919 N/A ARG 114.A N GLY 110.A O no hydrogen 2.937 N/A ARG 114.A NH1 PHE 15.A O no hydrogen 2.371 N/A ARG 114.A NH2 PHE 15.A O no hydrogen 3.222 N/A GLN 115.A N PHE 111.A O no hydrogen 3.063 N/A PHE 116.A N MET 112.A O no hydrogen 3.041 N/A GLU 117.A N LEU 113.A O no hydrogen 2.869 N/A LEU 118.A N ARG 114.A O no hydrogen 2.944 N/A ALA 119.A N GLN 115.A O no hydrogen 2.934 N/A ARG 120.A N PHE 116.A O no hydrogen 2.893 N/A ARG 120.A N GLU 117.A O no hydrogen 3.130 N/A SER 121.A N GLU 117.A O no hydrogen 2.941 N/A SER 121.A OG GLU 117.A O no hydrogen 3.562 N/A SER 121.A OG LEU 118.A O no hydrogen 2.804 N/A VAL 122.A N LEU 118.A O no hydrogen 2.961 N/A GLN 123.A N ARG 120.A O no hydrogen 3.239 N/A LEU 124.A N ALA 119.A O no hydrogen 2.814 N/A ILE 130.A N PRO 126.A O no hydrogen 3.009 N/A ALA 131.A N TYR 127.A O no hydrogen 2.887 N/A PHE 132.A N ASN 128.A O no hydrogen 2.942 N/A SER 133.A OG ILE 130.A O no hydrogen 2.316 N/A GLY 134.A N ILE 130.A O no hydrogen 3.167 N/A ALA 137.A N SER 133.A O no hydrogen 3.129 N/A VAL 138.A N GLY 134.A O no hydrogen 3.044 N/A PHE 139.A N PRO 135.A O no hydrogen 2.894 N/A VAL 140.A N ILE 136.A O no hydrogen 2.949 N/A SER 141.A N ALA 137.A O no hydrogen 2.860 N/A SER 141.A OG ALA 137.A O no hydrogen 2.901 N/A SER 141.A OG VAL 138.A O no hydrogen 2.700 N/A VAL 142.A N VAL 138.A O no hydrogen 2.937 N/A PHE 143.A N PHE 139.A O no hydrogen 2.895 N/A LEU 144.A N VAL 140.A O no hydrogen 2.916 N/A ILE 145.A N VAL 140.A O no hydrogen 2.668 N/A TYR 146.A N SER 141.A O no hydrogen 2.893 N/A TYR 146.A OH HIS 175.A NE2 no hydrogen 2.758 N/A LEU 148.A N LEU 144.A O no hydrogen 2.972 N/A GLY 149.A N ILE 145.A O no hydrogen 2.906 N/A GLN 150.A N TYR 146.A O no hydrogen 2.892 N/A GLN 150.A NE2 LEU 275.A O no hydrogen 2.570 N/A GLN 150.A NE2 ASN 278.A OD1 no hydrogen 2.818 N/A TRP 153.A NE1 HIS 73.A O no hydrogen 3.300 N/A PHE 155.A N GLY 152.A O no hydrogen 2.979 N/A ALA 156.A N TRP 153.A O no hydrogen 2.950 N/A ILE 164.A N GLY 160.A O no hydrogen 2.791 N/A PHE 165.A N VAL 161.A O no hydrogen 3.052 N/A ARG 166.A N ALA 162.A O no hydrogen 2.875 N/A ILE 168.A N ILE 164.A O no hydrogen 2.895 N/A LEU 169.A N PHE 165.A O no hydrogen 2.987 N/A PHE 170.A N ARG 166.A O no hydrogen 2.816 N/A PHE 171.A N PHE 167.A O no hydrogen 3.007 N/A GLN 172.A N ILE 168.A O no hydrogen 2.976 N/A GLN 172.A N LEU 169.A O no hydrogen 3.148 N/A GLN 172.A NE2 ASN 176.A OD1 no hydrogen 3.136 N/A GLY 173.A N LEU 169.A O no hydrogen 2.898 N/A PHE 174.A N PHE 170.A O no hydrogen 2.935 N/A ASN 176.A N GLN 172.A O no hydrogen 2.845 N/A THR 178.A N GLN 172.A OE1 no hydrogen 2.449 N/A THR 178.A OG1 ASN 176.A OD1 no hydrogen 3.547 N/A LEU 179.A N ASN 176.A O no hydrogen 2.931 N/A ASN 180.A N TRP 177.A O no hydrogen 3.143 N/A PHE 182.A N ASN 180.A OD1 no hydrogen 3.065 N/A MET 184.A N ASN 180.A O no hydrogen 3.239 N/A MET 185.A N PRO 181.A O no hydrogen 2.959 N/A GLY 186.A N PHE 182.A O no hydrogen 3.000 N/A VAL 187.A N HIS 183.A O no hydrogen 2.907 N/A ALA 188.A N MET 184.A O no hydrogen 2.982 N/A GLY 189.A N MET 185.A O no hydrogen 2.891 N/A VAL 190.A N GLY 186.A O no hydrogen 2.944 N/A LEU 191.A N VAL 187.A O no hydrogen 2.927 N/A GLY 192.A N ALA 188.A O no hydrogen 2.874 N/A ALA 193.A N GLY 189.A O no hydrogen 2.896 N/A ALA 194.A N VAL 190.A O no hydrogen 2.978 N/A LEU 195.A N LEU 191.A O no hydrogen 2.919 N/A LEU 196.A N GLY 192.A O no hydrogen 2.893 N/A CYS 197.A N ALA 193.A O no hydrogen 2.906 N/A ALA 198.A N ALA 194.A O no hydrogen 2.953 N/A ILE 199.A N LEU 195.A O no hydrogen 2.877 N/A HIS 200.A N LEU 196.A O no hydrogen 2.879 N/A GLY 201.A N CYS 197.A O no hydrogen 2.944 N/A ALA 202.A N ALA 198.A O no hydrogen 2.906 N/A THR 203.A N ILE 199.A O no hydrogen 2.996 N/A THR 203.A OG1 ILE 199.A O no hydrogen 2.323 N/A VAL 204.A N HIS 200.A O no hydrogen 2.889 N/A GLU 205.A N GLY 201.A O no hydrogen 2.907 N/A ASN 206.A N ALA 202.A O no hydrogen 2.907 N/A ASN 206.A ND2 ALA 202.A O no hydrogen 2.694 N/A THR 207.A N VAL 204.A O no hydrogen 3.001 N/A THR 207.A OG1 THR 203.A O no hydrogen 2.459 N/A THR 207.A OG1 VAL 204.A O no hydrogen 3.028 N/A ASN 216.A ND2 ASP 213.A OD2 no hydrogen 2.781 N/A THR 224.A N ASN 222.A OD1 no hydrogen 3.243 N/A THR 224.A OG1 ASN 222.A OD1 no hydrogen 2.951 N/A GLN 225.A N ASN 222.A O no hydrogen 3.436 N/A ALA 226.A N GLU 227.A OE1 no hydrogen 3.187 N/A SER 231.A N THR 207.A O no hydrogen 3.375 N/A SER 231.A OG THR 234.A OG1 no hydrogen 2.534 N/A THR 234.A N SER 231.A OG no hydrogen 3.371 N/A THR 234.A OG1 SER 231.A OG no hydrogen 2.534 N/A ALA 235.A N SER 231.A O no hydrogen 3.007 N/A ASN 236.A N MET 232.A O no hydrogen 2.908 N/A ARG 237.A N VAL 233.A O no hydrogen 2.957 N/A PHE 238.A N THR 234.A O no hydrogen 2.926 N/A TRP 239.A N ALA 235.A O no hydrogen 2.946 N/A SER 240.A N ASN 236.A O no hydrogen 2.893 N/A SER 240.A OG ASN 236.A O no hydrogen 2.288 N/A GLN 241.A N ARG 237.A O no hydrogen 2.978 N/A ILE 242.A N PHE 238.A O no hydrogen 2.860 N/A PHE 243.A N TRP 239.A O no hydrogen 2.923 N/A GLY 244.A N TRP 239.A O no hydrogen 2.446 N/A LYS 250.A NZ GLU 228.A OE1 no hydrogen 2.465 N/A ARG 251.A N ASN 249.A OD1 no hydrogen 2.901 N/A LEU 253.A N ASN 249.A O no hydrogen 2.906 N/A HIS 254.A N LYS 250.A O no hydrogen 2.922 N/A HIS 254.A ND1 LYS 250.A O no hydrogen 2.856 N/A PHE 255.A N ARG 251.A O no hydrogen 2.881 N/A PHE 256.A N TRP 252.A O no hydrogen 2.894 N/A MET 257.A N LEU 253.A O no hydrogen 2.901 N/A LEU 258.A N HIS 254.A O no hydrogen 3.025 N/A PHE 259.A N PHE 255.A O no hydrogen 2.894 N/A VAL 260.A N PHE 256.A O no hydrogen 3.040 N/A THR 263.A OG1 PHE 259.A O no hydrogen 2.511 N/A GLY 264.A N VAL 260.A O no hydrogen 3.035 N/A LEU 265.A N PRO 261.A O no hydrogen 2.945 N/A TRP 266.A N VAL 262.A O no hydrogen 2.945 N/A MET 267.A N THR 263.A O no hydrogen 2.991 N/A SER 268.A N GLY 264.A O no hydrogen 2.951 N/A SER 268.A OG GLY 264.A O no hydrogen 3.413 N/A SER 268.A OG LEU 265.A O no hydrogen 2.346 N/A ALA 269.A N LEU 265.A O no hydrogen 2.920 N/A LEU 270.A N TRP 266.A O no hydrogen 3.024 N/A GLY 271.A N MET 267.A O no hydrogen 3.042 N/A VAL 272.A N SER 268.A O no hydrogen 2.962 N/A VAL 273.A N ALA 269.A O no hydrogen 2.987 N/A GLY 274.A N LEU 270.A O no hydrogen 2.969 N/A LEU 275.A N GLY 271.A O no hydrogen 3.043 N/A ALA 276.A N VAL 273.A O no hydrogen 3.144 N/A ASN 278.A N LEU 275.A O no hydrogen 3.251 N/A ASN 278.A ND2 GLN 150.A OE1 no hydrogen 2.783 N/A LEU 279.A N GLY 274.A O no hydrogen 3.198 N/A ARG 280.A NE HIS 175.A ND1 no hydrogen 3.428 N/A ARG 280.A NH1 HIS 175.A ND1 no hydrogen 3.079 N/A GLU 288.A N PHE 284.A O no hydrogen 2.882 N/A ILE 289.A N VAL 285.A O no hydrogen 2.914 N/A ARG 290.A N SER 286.A O no hydrogen 2.944 N/A ALA 291.A N GLN 287.A O no hydrogen 2.881 N/A ALA 292.A N GLU 288.A O no hydrogen 2.914 N/A GLU 293.A N ILE 289.A O no hydrogen 2.900 N/A GLU 293.A N ARG 290.A O no hydrogen 3.194 N/A ASP 294.A N ARG 290.A O no hydrogen 2.973 N/A GLU 296.A N ASP 294.A OD1 no hydrogen 2.865 N/A THR 299.A N THR 302.A OG1 no hydrogen 2.818 N/A THR 299.A OG1 GLN 287.A OE1 no hydrogen 3.347 N/A THR 299.A OG1 THR 302.A OG1 no hydrogen 3.371 N/A THR 302.A N THR 299.A OG1 no hydrogen 3.119 N/A THR 302.A OG1 THR 299.A O no hydrogen 2.411 N/A THR 302.A OG1 THR 299.A OG1 no hydrogen 3.371 N/A LYS 303.A N THR 299.A O no hydrogen 2.994 N/A LYS 303.A NZ GLU 298.A OE2 no hydrogen 3.456 N/A ASN 304.A N PHE 300.A O no hydrogen 2.895 N/A ILE 305.A N TYR 301.A O no hydrogen 2.941 N/A LEU 306.A N THR 302.A O no hydrogen 3.003 N/A LEU 307.A N LYS 303.A O no hydrogen 2.950 N/A ASN 308.A N ASN 304.A O no hydrogen 2.896 N/A GLU 309.A N ILE 305.A O no hydrogen 2.951 N/A GLY 310.A N LEU 306.A O no hydrogen 3.079 N/A ILE 311.A N LEU 307.A O no hydrogen 2.907 N/A ARG 312.A N ASN 308.A O no hydrogen 2.912 N/A ARG 312.A NH1 GLY 173.A O no hydrogen 3.387 N/A ARG 312.A NH1 TYR 282.A OH no hydrogen 3.306 N/A ARG 312.A NH2 TYR 282.A OH no hydrogen 3.276 N/A ALA 313.A N GLU 309.A O no hydrogen 3.034 N/A TRP 314.A N GLY 310.A O no hydrogen 2.984 N/A MET 315.A N ILE 311.A O no hydrogen 2.866 N/A ALA 316.A N ARG 312.A O no hydrogen 2.935 N/A ALA 317.A N ALA 313.A O no hydrogen 3.129 N/A ASP 319.A N ALA 316.A O no hydrogen 3.026 N/A GLN 320.A N ALA 316.A O no hydrogen 3.047 N/A ASN 324.A N PRO 321.A O no hydrogen 3.218 N/A LEU 332.A N GLU 329.A O no hydrogen 2.948 N/A