Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5xnl_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 6.A N ASP 2.A O no hydrogen 3.290 N/A MET 7.A N LEU 3.A O no hydrogen 3.206 N/A ASP 8.A N PHE 4.A O no hydrogen 2.821 N/A ASP 9.A N ASP 5.A O no hydrogen 2.991 N/A TRP 10.A N ILE 6.A O no hydrogen 3.168 N/A LEU 11.A N MET 7.A O no hydrogen 2.861 N/A ARG 12.A N ASP 8.A O no hydrogen 3.205 N/A ARG 12.A NE ASP 8.A OD1 no hydrogen 2.983 N/A ARG 12.A NH1 ASP 8.A OD2 no hydrogen 2.390 N/A ARG 12.A NH2 SER 124.A OG no hydrogen 3.031 N/A ARG 13.A N TRP 10.A O no hydrogen 3.214 N/A ARG 15.A NH1 TRP 10.A O no hydrogen 3.072 N/A ARG 15.A NH2 TRP 10.A O no hydrogen 2.691 N/A GLY 20.A N LEU 11.A O no hydrogen 2.628 N/A TRP 21.A N GLU 120.A OE2 no hydrogen 2.615 N/A TRP 21.A NE1 ASP 8.A OD1 no hydrogen 2.401 N/A SER 22.A N GLU 120.A OE1 no hydrogen 2.854 N/A SER 22.A OG GLU 120.A OE1 no hydrogen 2.956 N/A LEU 24.A N TRP 21.A O no hydrogen 3.192 N/A LEU 25.A N SER 22.A O no hydrogen 2.982 N/A LEU 26.A N SER 22.A O no hydrogen 2.587 N/A PHE 27.A N GLY 23.A O no hydrogen 3.018 N/A CYS 29.A SG LEU 25.A O no hydrogen 3.271 N/A ALA 30.A N LEU 26.A O no hydrogen 2.772 N/A TYR 31.A N PHE 27.A O no hydrogen 3.387 N/A PHE 32.A N PRO 28.A O no hydrogen 3.127 N/A ALA 33.A N CYS 29.A O no hydrogen 2.939 N/A VAL 34.A N ALA 30.A O no hydrogen 3.032 N/A GLY 35.A N TYR 31.A O no hydrogen 2.769 N/A GLY 36.A N PHE 32.A O no hydrogen 2.834 N/A TRP 37.A N ALA 33.A O no hydrogen 3.136 N/A TRP 37.A NE1 PHE 162.A O no hydrogen 2.652 N/A PHE 38.A N VAL 34.A O no hydrogen 3.051 N/A THR 39.A N GLY 35.A O no hydrogen 2.950 N/A THR 39.A OG1 GLY 35.A O no hydrogen 2.649 N/A GLY 40.A N GLY 36.A O no hydrogen 2.946 N/A THR 41.A N TRP 37.A O no hydrogen 2.970 N/A THR 41.A OG1 TRP 37.A O no hydrogen 2.888 N/A THR 41.A OG1 PHE 38.A O no hydrogen 3.385 N/A THR 42.A OG1 PHE 38.A O no hydrogen 2.531 N/A PHE 43.A N THR 39.A O no hydrogen 3.169 N/A VAL 44.A N GLY 40.A O no hydrogen 3.366 N/A THR 45.A OG1 GLU 58.A OE1 no hydrogen 3.397 N/A THR 45.A OG1 GLU 58.A OE2 no hydrogen 2.511 N/A SER 46.A OG SER 68.A OG no hydrogen 3.120 N/A TRP 47.A N THR 45.A OG1 no hydrogen 3.178 N/A THR 49.A OG1 THR 69.A O no hydrogen 3.388 N/A HIS 50.A N SER 46.A O no hydrogen 3.021 N/A LEU 52.A N SER 46.A O no hydrogen 3.280 N/A SER 54.A N GLU 58.A OE1 no hydrogen 3.283 N/A SER 54.A OG ALA 66.A O no hydrogen 3.071 N/A SER 54.A OG SER 68.A OG no hydrogen 3.388 N/A TYR 56.A N THR 41.A O no hydrogen 2.871 N/A LEU 57.A N THR 42.A O no hydrogen 2.788 N/A GLU 58.A N SER 55.A O no hydrogen 3.246 N/A GLY 59.A N TYR 56.A O no hydrogen 3.240 N/A CYS 60.A N SER 55.A O no hydrogen 3.072 N/A CYS 60.A SG ALA 53.A O no hydrogen 3.224 N/A CYS 60.A SG THR 64.A O no hydrogen 3.570 N/A ASN 61.A N THR 64.A OG1 no hydrogen 3.138 N/A THR 64.A N ASN 61.A OD1 no hydrogen 3.168 N/A THR 64.A OG1 ASN 61.A OD1 no hydrogen 2.814 N/A ALA 65.A N ASN 61.A O no hydrogen 2.819 N/A ALA 66.A N SER 54.A O no hydrogen 2.809 N/A VAL 67.A N PHE 162.A O no hydrogen 3.038 N/A SER 68.A OG SER 46.A OG no hydrogen 3.120 N/A SER 68.A OG SER 54.A OG no hydrogen 3.388 N/A THR 69.A N SER 161.A OG no hydrogen 3.142 N/A THR 69.A OG1 HIS 50.A NE2 no hydrogen 2.806 N/A THR 69.A OG1 PHE 157.A O no hydrogen 2.836 N/A LEU 74.A N ALA 71.A O no hydrogen 3.153 N/A ALA 75.A N ASN 72.A O no hydrogen 2.637 N/A HIS 76.A NE2 PRO 150.A O no hydrogen 2.536 N/A SER 77.A N LEU 74.A O no hydrogen 3.202 N/A SER 77.A OG LEU 74.A O no hydrogen 3.372 N/A GLY 83.A N LEU 80.A O no hydrogen 2.753 N/A GLN 87.A N GLY 83.A O no hydrogen 2.923 N/A GLN 87.A NE2 PRO 84.A O no hydrogen 3.225 N/A GLY 88.A N LEU 81.A O no hydrogen 2.577 N/A THR 91.A N ASP 89.A OD1 no hydrogen 3.346 N/A TRP 93.A N ASP 89.A O no hydrogen 2.952 N/A TRP 93.A NE1 LEU 79.A O no hydrogen 2.314 N/A CYS 94.A N LEU 90.A O no hydrogen 3.080 N/A CYS 94.A SG LEU 90.A O no hydrogen 3.249 N/A GLN 95.A N THR 91.A O no hydrogen 3.143 N/A LEU 96.A N ARG 92.A O no hydrogen 2.806 N/A GLY 97.A N CYS 94.A O no hydrogen 3.400 N/A GLY 98.A N TRP 93.A O no hydrogen 2.724 N/A TRP 100.A N GLY 97.A O no hydrogen 3.077 N/A TRP 100.A NE1 PRO 160.A O no hydrogen 2.863 N/A THR 101.A OG1 LEU 78.A O no hydrogen 2.915 N/A THR 101.A OG1 GLY 98.A O no hydrogen 3.033 N/A PHE 102.A N GLY 98.A O no hydrogen 2.869 N/A VAL 103.A N LEU 99.A O no hydrogen 3.125 N/A ALA 104.A N TRP 100.A O no hydrogen 2.762 N/A LEU 105.A N THR 101.A O no hydrogen 3.211 N/A HIS 106.A N PHE 102.A O no hydrogen 2.984 N/A HIS 106.A ND1 PHE 102.A O no hydrogen 3.026 N/A GLY 107.A N VAL 103.A O no hydrogen 2.751 N/A ALA 108.A N ALA 104.A O no hydrogen 2.961 N/A PHE 109.A N LEU 105.A O no hydrogen 3.091 N/A GLY 110.A N HIS 106.A O no hydrogen 2.840 N/A LEU 111.A N GLY 107.A O no hydrogen 3.056 N/A ILE 112.A N ALA 108.A O no hydrogen 2.928 N/A GLY 113.A N PHE 109.A O no hydrogen 2.948 N/A PHE 114.A N GLY 110.A O no hydrogen 2.817 N/A MET 115.A N LEU 111.A O no hydrogen 3.027 N/A LEU 116.A N ILE 112.A O no hydrogen 2.859 N/A ARG 117.A N GLY 113.A O no hydrogen 2.924 N/A ARG 117.A NH1 PHE 18.A O no hydrogen 2.556 N/A ARG 117.A NH2 PHE 18.A O no hydrogen 2.905 N/A GLN 118.A N PHE 114.A O no hydrogen 3.195 N/A PHE 119.A N MET 115.A O no hydrogen 3.092 N/A GLU 120.A N LEU 116.A O no hydrogen 2.912 N/A LEU 121.A N ARG 117.A O no hydrogen 2.806 N/A ALA 122.A N GLN 118.A O no hydrogen 3.263 N/A ARG 123.A N PHE 119.A O no hydrogen 3.060 N/A ARG 123.A NE ARG 123.A O no hydrogen 3.200 N/A SER 124.A N GLU 120.A O no hydrogen 3.218 N/A SER 124.A OG GLU 120.A O no hydrogen 3.044 N/A VAL 125.A N LEU 121.A O no hydrogen 2.951 N/A LEU 127.A N ALA 122.A O no hydrogen 2.772 N/A ILE 133.A N PRO 129.A O no hydrogen 3.450 N/A ALA 134.A N TYR 130.A O no hydrogen 2.982 N/A PHE 135.A N ASN 131.A O no hydrogen 3.055 N/A SER 136.A N ILE 133.A O no hydrogen 3.294 N/A SER 136.A OG ILE 133.A O no hydrogen 2.389 N/A ILE 139.A N PHE 135.A O no hydrogen 3.384 N/A ALA 140.A N SER 136.A O no hydrogen 2.994 N/A VAL 141.A N GLY 137.A O no hydrogen 3.087 N/A PHE 142.A N PRO 138.A O no hydrogen 2.935 N/A VAL 143.A N ILE 139.A O no hydrogen 2.705 N/A SER 144.A N ALA 140.A O no hydrogen 2.994 N/A SER 144.A OG ALA 140.A O no hydrogen 2.671 N/A SER 144.A OG VAL 141.A O no hydrogen 3.278 N/A VAL 145.A N VAL 141.A O no hydrogen 2.936 N/A PHE 146.A N PHE 142.A O no hydrogen 2.905 N/A LEU 147.A N VAL 143.A O no hydrogen 3.156 N/A ILE 148.A N VAL 143.A O no hydrogen 2.570 N/A TYR 149.A N SER 144.A O no hydrogen 2.744 N/A TYR 149.A OH HIS 178.A NE2 no hydrogen 2.798 N/A LEU 151.A N LEU 147.A O no hydrogen 3.271 N/A GLY 152.A N ILE 148.A O no hydrogen 3.038 N/A GLY 152.A N TYR 149.A O no hydrogen 3.283 N/A GLN 153.A N TYR 149.A O no hydrogen 3.126 N/A GLN 153.A NE2 ASN 281.A OD1 no hydrogen 3.093 N/A SER 154.A OG ASN 72.A OD1 no hydrogen 3.028 N/A TRP 156.A N ALA 75.A O no hydrogen 2.710 N/A TRP 156.A NE1 SER 77.A O no hydrogen 2.616 N/A ALA 159.A N TRP 156.A O no hydrogen 3.427 N/A PHE 162.A N VAL 67.A O no hydrogen 2.879 N/A GLY 163.A N SER 161.A O no hydrogen 2.815 N/A ALA 165.A N LEU 63.A O no hydrogen 2.756 N/A ILE 167.A N GLY 163.A O no hydrogen 3.037 N/A PHE 168.A N VAL 164.A O no hydrogen 3.139 N/A ARG 169.A N ALA 165.A O no hydrogen 3.007 N/A ARG 169.A NH1 ALA 159.A O no hydrogen 3.293 N/A PHE 170.A N ALA 166.A O no hydrogen 3.335 N/A ILE 171.A N ILE 167.A O no hydrogen 2.777 N/A LEU 172.A N PHE 168.A O no hydrogen 2.913 N/A PHE 173.A N ARG 169.A O no hydrogen 2.698 N/A PHE 174.A N PHE 170.A O no hydrogen 3.144 N/A GLN 175.A N ILE 171.A O no hydrogen 3.175 N/A GLN 175.A NE2 ASN 179.A OD1 no hydrogen 3.250 N/A GLN 175.A NE2 ASN 311.A OD1 no hydrogen 2.669 N/A GLY 176.A N LEU 172.A O no hydrogen 3.177 N/A PHE 177.A N PHE 173.A O no hydrogen 2.861 N/A HIS 178.A N PHE 174.A O no hydrogen 3.218 N/A HIS 178.A NE2 TYR 149.A OH no hydrogen 2.798 N/A ASN 179.A N GLN 175.A O no hydrogen 3.105 N/A ASN 179.A ND2 TYR 285.A O no hydrogen 3.116 N/A TRP 180.A N PHE 174.A O no hydrogen 3.009 N/A THR 181.A OG1 GLN 175.A OE1 no hydrogen 2.888 N/A LEU 182.A N ASN 179.A O no hydrogen 2.951 N/A PHE 185.A N ASN 183.A OD1 no hydrogen 3.236 N/A MET 187.A N ASN 183.A O no hydrogen 3.124 N/A MET 188.A N PRO 184.A O no hydrogen 3.059 N/A GLY 189.A N PHE 185.A O no hydrogen 3.167 N/A VAL 190.A N HIS 186.A O no hydrogen 2.822 N/A ALA 191.A N MET 187.A O no hydrogen 3.104 N/A GLY 192.A N MET 188.A O no hydrogen 3.083 N/A VAL 193.A N GLY 189.A O no hydrogen 2.902 N/A LEU 194.A N VAL 190.A O no hydrogen 2.746 N/A GLY 195.A N ALA 191.A O no hydrogen 2.967 N/A ALA 196.A N GLY 192.A O no hydrogen 3.025 N/A ALA 197.A N VAL 193.A O no hydrogen 2.895 N/A LEU 198.A N LEU 194.A O no hydrogen 3.010 N/A LEU 199.A N GLY 195.A O no hydrogen 2.813 N/A CYS 200.A N ALA 196.A O no hydrogen 2.700 N/A ALA 201.A N ALA 197.A O no hydrogen 3.226 N/A ILE 202.A N LEU 198.A O no hydrogen 2.656 N/A HIS 203.A N LEU 199.A O no hydrogen 3.078 N/A GLY 204.A N CYS 200.A O no hydrogen 3.237 N/A ALA 205.A N ALA 201.A O no hydrogen 3.038 N/A THR 206.A N ILE 202.A O no hydrogen 3.125 N/A THR 206.A OG1 ILE 202.A O no hydrogen 2.382 N/A VAL 207.A N HIS 203.A O no hydrogen 3.004 N/A GLU 208.A N GLY 204.A O no hydrogen 3.211 N/A THR 210.A N VAL 207.A O no hydrogen 3.277 N/A THR 210.A OG1 THR 206.A O no hydrogen 2.459 N/A PHE 212.A N THR 232.A O no hydrogen 3.063 N/A PHE 221.A N ASN 219.A OD1 no hydrogen 3.300 N/A ALA 223.A N THR 220.A O no hydrogen 3.238 N/A GLN 228.A N ASN 225.A O no hydrogen 3.364 N/A SER 234.A N THR 210.A O no hydrogen 2.568 N/A SER 234.A OG THR 237.A OG1 no hydrogen 2.815 N/A THR 237.A N SER 234.A OG no hydrogen 3.241 N/A THR 237.A OG1 SER 234.A OG no hydrogen 2.815 N/A ALA 238.A N SER 234.A O no hydrogen 3.025 N/A ASN 239.A N MET 235.A O no hydrogen 2.933 N/A ARG 240.A N VAL 236.A O no hydrogen 3.050 N/A PHE 241.A N THR 237.A O no hydrogen 2.953 N/A TRP 242.A N ALA 238.A O no hydrogen 3.371 N/A TRP 242.A NE1 THR 206.A OG1 no hydrogen 3.083 N/A SER 243.A N ASN 239.A O no hydrogen 2.917 N/A SER 243.A OG ASN 239.A O no hydrogen 2.774 N/A SER 243.A OG ASN 239.A OD1 no hydrogen 2.898 N/A GLN 244.A N ARG 240.A O no hydrogen 3.340 N/A GLN 244.A N PHE 241.A O no hydrogen 3.279 N/A ILE 245.A N PHE 241.A O no hydrogen 2.826 N/A PHE 246.A N TRP 242.A O no hydrogen 2.885 N/A LYS 253.A NZ GLU 231.A OE1 no hydrogen 3.296 N/A ARG 254.A N ASN 252.A OD1 no hydrogen 3.305 N/A LEU 256.A N ASN 252.A O no hydrogen 3.031 N/A HIS 257.A N LYS 253.A O no hydrogen 3.144 N/A HIS 257.A ND1 LYS 253.A O no hydrogen 2.540 N/A PHE 258.A N ARG 254.A O no hydrogen 3.092 N/A PHE 259.A N TRP 255.A O no hydrogen 2.931 N/A MET 260.A N LEU 256.A O no hydrogen 2.900 N/A LEU 261.A N HIS 257.A O no hydrogen 3.072 N/A PHE 262.A N PHE 258.A O no hydrogen 2.615 N/A VAL 263.A N PHE 259.A O no hydrogen 3.174 N/A THR 266.A N PHE 262.A O no hydrogen 2.822 N/A THR 266.A OG1 PHE 262.A O no hydrogen 2.660 N/A GLY 267.A N VAL 263.A O no hydrogen 3.122 N/A LEU 268.A N PRO 264.A O no hydrogen 2.945 N/A TRP 269.A N VAL 265.A O no hydrogen 2.851 N/A TRP 269.A NE1 SER 136.A OG no hydrogen 3.160 N/A MET 270.A N THR 266.A O no hydrogen 2.880 N/A SER 271.A N GLY 267.A O no hydrogen 2.978 N/A SER 271.A OG GLY 267.A O no hydrogen 3.153 N/A SER 271.A OG LEU 268.A O no hydrogen 3.123 N/A ALA 272.A N LEU 268.A O no hydrogen 3.184 N/A LEU 273.A N TRP 269.A O no hydrogen 3.316 N/A GLY 274.A N MET 270.A O no hydrogen 3.318 N/A VAL 275.A N SER 271.A O no hydrogen 3.300 N/A VAL 276.A N ALA 272.A O no hydrogen 3.238 N/A LEU 278.A N GLY 274.A O no hydrogen 3.044 N/A ALA 279.A N VAL 275.A O no hydrogen 2.875 N/A LEU 280.A N GLY 277.A O no hydrogen 3.242 N/A ASN 281.A N LEU 278.A O no hydrogen 3.239 N/A LEU 282.A N GLY 277.A O no hydrogen 2.675 N/A ARG 283.A NE HIS 178.A ND1 no hydrogen 3.201 N/A PHE 287.A N TYR 304.A OH no hydrogen 3.064 N/A GLU 291.A N PHE 287.A O no hydrogen 3.247 N/A ILE 292.A N VAL 288.A O no hydrogen 2.770 N/A ARG 293.A N SER 289.A O no hydrogen 3.185 N/A ALA 294.A N GLN 290.A O no hydrogen 3.170 N/A ALA 295.A N GLU 291.A O no hydrogen 3.184 N/A GLU 296.A N ILE 292.A O no hydrogen 3.068 N/A ASP 297.A N ARG 293.A O no hydrogen 2.529 N/A GLU 299.A N ASP 297.A OD1 no hydrogen 3.440 N/A PHE 300.A N ASP 297.A O no hydrogen 3.105 N/A THR 302.A N THR 305.A OG1 no hydrogen 3.104 N/A THR 302.A OG1 GLN 290.A OE1 no hydrogen 3.494 N/A TYR 304.A OH TYR 285.A O no hydrogen 2.905 N/A THR 305.A N THR 302.A OG1 no hydrogen 3.253 N/A THR 305.A OG1 THR 302.A O no hydrogen 2.852 N/A LYS 306.A N THR 302.A O no hydrogen 3.112 N/A LYS 306.A NZ GLU 301.A OE2 no hydrogen 2.995 N/A ASN 307.A N PHE 303.A O no hydrogen 3.326 N/A ASN 307.A N TYR 304.A O no hydrogen 3.137 N/A ILE 308.A N TYR 304.A O no hydrogen 3.197 N/A LEU 309.A N THR 305.A O no hydrogen 3.326 N/A LEU 310.A N LYS 306.A O no hydrogen 3.241 N/A ASN 311.A N ASN 307.A O no hydrogen 2.969 N/A GLU 312.A N ILE 308.A O no hydrogen 3.007 N/A GLY 313.A N LEU 309.A O no hydrogen 3.216 N/A ILE 314.A N LEU 310.A O no hydrogen 3.011 N/A ARG 315.A N ASN 311.A O no hydrogen 2.840 N/A ARG 315.A NH1 GLY 176.A O no hydrogen 2.877 N/A ARG 315.A NH1 TYR 285.A OH no hydrogen 2.742 N/A ARG 315.A NH2 TYR 285.A OH no hydrogen 2.857 N/A ALA 316.A N GLU 312.A O no hydrogen 3.162 N/A TRP 317.A N GLY 313.A O no hydrogen 3.057 N/A TRP 317.A NE1 PRO 336.A O no hydrogen 3.234 N/A MET 318.A N ILE 314.A O no hydrogen 3.290 N/A THR 320.A OG1 LEU 328.A O no hydrogen 2.530 N/A GLN 321.A N MET 318.A O no hydrogen 2.992 N/A ASP 322.A N MET 318.A O no hydrogen 2.645 N/A GLN 323.A N ALA 319.A O no hydrogen 2.784 N/A GLU 326.A N GLN 323.A O no hydrogen 3.241 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.771 N/A ARG 337.A NE LEU 341.A OXT no hydrogen 2.769 N/A ARG 337.A NH1 LEU 341.A O no hydrogen 2.396 N/A