Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uxp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 1.A N ALA 39.A O no hydrogen 3.176 N/A THR 2.A OG1 TYR 41.A O no hydrogen 3.509 N/A ASN 4.A ND2 HIS 43.A O no hydrogen 2.894 N/A THR 8.A N ASN 4.A O no hydrogen 3.334 N/A THR 8.A OG1 GLY 5.A O no hydrogen 3.193 N/A ASP 9.A N GLY 5.A O no hydrogen 2.707 N/A MET 10.A N GLY 6.A O no hydrogen 3.186 N/A LEU 11.A N ILE 7.A O no hydrogen 3.231 N/A VAL 12.A N THR 8.A O no hydrogen 3.062 N/A GLU 13.A N ASP 9.A O no hydrogen 3.024 N/A LEU 14.A N LEU 11.A O no hydrogen 3.335 N/A ALA 15.A N VAL 12.A O no hydrogen 3.248 N/A ASN 16.A N VAL 12.A O no hydrogen 3.029 N/A LYS 19.A N ALA 15.A O no hydrogen 2.783 N/A ASN 20.A ND2 ASN 90.A OD1 no hydrogen 2.497 N/A VAL 21.A N PHE 17.A O no hydrogen 2.707 N/A SER 22.A N PHE 17.A O no hydrogen 3.056 N/A SER 22.A OG GLU 18.A OE1 no hydrogen 3.161 N/A ASN 29.A N ILE 25.A O no hydrogen 2.741 N/A ALA 30.A N HIS 26.A O no hydrogen 2.808 N/A TYR 31.A N LYS 27.A O no hydrogen 3.076 N/A ARG 32.A N TYR 28.A O no hydrogen 3.245 N/A LYS 33.A N ASN 29.A O no hydrogen 2.804 N/A ALA 34.A N ALA 30.A O no hydrogen 3.060 N/A ALA 35.A N TYR 31.A O no hydrogen 3.143 N/A SER 36.A N ARG 32.A O no hydrogen 2.947 N/A VAL 37.A N LYS 33.A O no hydrogen 2.941 N/A ILE 38.A N ALA 34.A O no hydrogen 3.159 N/A ALA 39.A N ALA 35.A O no hydrogen 3.010 N/A LYS 40.A N SER 36.A O no hydrogen 3.358 N/A TYR 41.A N ILE 38.A O no hydrogen 3.291 N/A LYS 44.A NZ ASN 4.A OD1 no hydrogen 3.531 N/A LYS 44.A NZ ILE 45.A O no hydrogen 2.798 N/A ILE 45.A N ASN 4.A OD1 no hydrogen 3.265 N/A LYS 46.A N GLU 50.A OE1 no hydrogen 2.892 N/A ALA 49.A N SER 47.A OG no hydrogen 2.646 N/A GLU 50.A N SER 47.A OG no hydrogen 2.983 N/A LEU 54.A N ALA 51.A O no hydrogen 3.254 N/A GLU 63.A N THR 59.A O no hydrogen 2.971 N/A ASP 66.A N ALA 62.A O no hydrogen 3.389 N/A GLU 67.A N GLU 63.A O no hydrogen 3.399 N/A PHE 68.A N LYS 64.A O no hydrogen 3.112 N/A LEU 69.A N ILE 65.A O no hydrogen 3.113 N/A LEU 69.A N ASP 66.A O no hydrogen 3.029 N/A ALA 70.A N GLU 67.A O no hydrogen 2.849 N/A THR 71.A N GLU 67.A O no hydrogen 2.697 N/A ARG 75.A N GLU 67.A OE2 no hydrogen 3.092 N/A GLU 78.A N ARG 75.A O no hydrogen 3.049 N/A LYS 79.A N ARG 75.A O no hydrogen 3.159 N/A ILE 80.A N LYS 76.A O no hydrogen 3.226 N/A GLN 82.A N GLU 78.A O no hydrogen 3.092 N/A ASP 83.A N ILE 80.A O no hydrogen 3.261 N/A SER 86.A OG ILE 80.A O no hydrogen 3.361 N/A SER 87.A N ASP 83.A O no hydrogen 3.428 N/A SER 88.A N ASP 84.A O no hydrogen 3.119 N/A SER 88.A N THR 85.A O no hydrogen 2.911 N/A SER 88.A OG ASP 84.A O no hydrogen 2.856 N/A ILE 89.A N THR 85.A O no hydrogen 2.844 N/A ASN 90.A N SER 86.A O no hydrogen 3.055 N/A PHE 91.A N SER 87.A O no hydrogen 2.988 N/A LEU 92.A N SER 88.A O no hydrogen 2.858 N/A THR 93.A N ILE 89.A O no hydrogen 2.966 N/A ARG 94.A N PHE 91.A O no hydrogen 2.977 N/A ARG 94.A NE GLU 139.A OE2 no hydrogen 2.644 N/A ARG 94.A NH2 GLU 139.A OE1 no hydrogen 3.208 N/A ARG 94.A NH2 GLU 139.A OE2 no hydrogen 3.082 N/A VAL 95.A N LEU 92.A O no hydrogen 2.927 N/A ILE 98.A N VAL 95.A O no hydrogen 3.088 N/A ALA 103.A N GLY 99.A O no hydrogen 2.986 N/A ARG 104.A N PRO 100.A O no hydrogen 2.994 N/A LYS 105.A N SER 101.A O no hydrogen 3.091 N/A LEU 106.A N ALA 102.A O no hydrogen 2.755 N/A VAL 107.A N ALA 103.A O no hydrogen 2.706 N/A ASP 108.A N ARG 104.A O no hydrogen 2.916 N/A GLU 109.A N LEU 106.A O no hydrogen 2.950 N/A GLY 110.A N VAL 107.A O no hydrogen 3.084 N/A ILE 111.A N LEU 106.A O no hydrogen 2.869 N/A LYS 112.A N ASP 116.A OD2 no hydrogen 3.002 N/A LYS 112.A NZ ASP 84.A OD2 no hydrogen 2.244 N/A LEU 117.A N THR 113.A O no hydrogen 2.652 N/A ARG 118.A N LEU 114.A O no hydrogen 2.786 N/A ARG 118.A NH2 GLU 136.A OE2 no hydrogen 3.171 N/A LYS 119.A N GLU 115.A O no hydrogen 3.302 N/A ASN 120.A N LEU 117.A O no hydrogen 2.513 N/A ASN 120.A ND2 ASP 116.A O no hydrogen 2.579 N/A LYS 123.A N ASN 120.A O no hydrogen 3.280 N/A LYS 123.A NZ GLU 109.A OE1 no hydrogen 3.383 N/A LYS 123.A NZ GLU 109.A OE2 no hydrogen 2.958 N/A LEU 124.A N GLU 121.A O no hydrogen 3.129 N/A ASN 125.A N GLN 128.A OE1 no hydrogen 2.821 N/A HIS 126.A NE2 THR 219.A O no hydrogen 2.938 N/A GLN 128.A N ASN 125.A OD1 no hydrogen 2.852 N/A GLN 128.A NE2 GLY 97.A O no hydrogen 3.074 N/A ARG 129.A N ASN 125.A O no hydrogen 3.180 N/A ARG 129.A NE GLU 121.A O no hydrogen 2.922 N/A ARG 129.A NH2 GLU 121.A O no hydrogen 3.091 N/A ILE 130.A N HIS 126.A O no hydrogen 3.323 N/A ILE 130.A N HIS 127.A O no hydrogen 3.133 N/A GLY 131.A N HIS 127.A O no hydrogen 3.141 N/A LEU 132.A N GLN 128.A O no hydrogen 2.792 N/A LYS 133.A N ARG 129.A O no hydrogen 3.029 N/A LYS 133.A NZ TYR 134.A OH no hydrogen 3.419 N/A TYR 134.A N ILE 130.A O no hydrogen 3.042 N/A TYR 134.A OH ASP 218.A OD2 no hydrogen 3.050 N/A PHE 135.A N LEU 132.A O no hydrogen 2.690 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.517 N/A ASP 137.A N ASP 137.A OD2 no hydrogen 2.362 N/A PHE 138.A N TYR 134.A O no hydrogen 3.149 N/A GLU 139.A N PHE 135.A O no hydrogen 3.371 N/A GLU 139.A N GLU 136.A O no hydrogen 3.373 N/A ARG 141.A NE SER 179.A OG no hydrogen 2.995 N/A ILE 142.A N SER 180.A O no hydrogen 2.716 N/A ARG 144.A NE ALA 177.A O no hydrogen 3.115 N/A MET 147.A N PRO 143.A O no hydrogen 2.858 N/A LEU 148.A N ARG 144.A O no hydrogen 2.769 N/A MET 150.A N MET 147.A O no hydrogen 3.001 N/A GLN 151.A N MET 147.A O no hydrogen 3.285 N/A GLN 151.A NE2 ASP 152.A OD1 no hydrogen 3.213 N/A ASP 152.A N LEU 148.A O no hydrogen 2.800 N/A ILE 153.A N MET 150.A O no hydrogen 2.829 N/A VAL 154.A N MET 150.A O no hydrogen 2.747 N/A VAL 154.A N GLN 151.A O no hydrogen 3.053 N/A LEU 155.A N GLN 151.A O no hydrogen 2.683 N/A ASN 156.A ND2 ASP 152.A O no hydrogen 2.693 N/A VAL 158.A N VAL 154.A O no hydrogen 2.982 N/A LYS 159.A N LEU 155.A O no hydrogen 3.300 N/A LYS 160.A N ASN 156.A O no hydrogen 3.364 N/A LEU 161.A N GLU 157.A O no hydrogen 3.188 N/A GLU 164.A N ASP 162.A OD2 no hydrogen 3.200 N/A TYR 165.A N ASP 162.A O no hydrogen 2.980 N/A TYR 165.A OH LEU 202.A O no hydrogen 2.178 N/A ILE 166.A N THR 188.A O no hydrogen 2.639 N/A THR 168.A N LEU 186.A O no hydrogen 2.940 N/A CYS 170.A N ASP 184.A O no hydrogen 2.619 N/A CYS 170.A SG THR 168.A O no hydrogen 3.214 N/A ARG 174.A NH1 GLU 308.A OE1 no hydrogen 3.102 N/A ARG 175.A N GLY 171.A O no hydrogen 3.265 N/A ARG 175.A NE ARG 325.A O no hydrogen 3.459 N/A GLY 176.A N PHE 173.A O no hydrogen 2.714 N/A ALA 177.A N SER 172.A O no hydrogen 3.036 N/A GLU 178.A N GLU 178.A OE1 no hydrogen 2.379 N/A SER 180.A N ILE 142.A O no hydrogen 2.977 N/A MET 183.A N ARG 246.A O no hydrogen 2.944 N/A VAL 185.A N ASP 248.A O no hydrogen 2.960 N/A LEU 186.A N THR 168.A O no hydrogen 2.906 N/A LEU 187.A N ARG 250.A O.A no hydrogen 2.538 N/A LEU 187.A N ARG 250.A O.B no hydrogen 2.533 N/A THR 188.A N ILE 166.A O no hydrogen 2.657 N/A THR 188.A OG1 LEU 187.A O no hydrogen 3.296 N/A THR 188.A OG1 GLN 252.A O no hydrogen 2.796 N/A HIS 189.A NE2 ASP 162.A OD1 no hydrogen 3.157 N/A ASN 191.A N HIS 189.A ND1 no hydrogen 3.178 N/A PHE 192.A N HIS 189.A O no hydrogen 3.018 N/A THR 193.A N SER 196.A OG no hydrogen 2.893 N/A SER 194.A N ASP 255.A OD1 no hydrogen 3.006 N/A SER 194.A N ASP 255.A OD2 no hydrogen 3.362 N/A SER 194.A OG ASP 255.A OD2 no hydrogen 3.015 N/A SER 196.A N THR 193.A O no hydrogen 3.149 N/A SER 196.A OG THR 193.A O no hydrogen 2.670 N/A LEU 202.A N GLN 199.A O no hydrogen 2.990 N/A LEU 203.A N PRO 200.A O no hydrogen 2.998 N/A HIS 204.A N PRO 200.A O no hydrogen 2.947 N/A HIS 204.A NE2 GLY 223.A O no hydrogen 2.855 N/A ARG 205.A N LYS 201.A O no hydrogen 3.018 N/A VAL 207.A N LEU 203.A O no hydrogen 3.027 N/A GLU 208.A N HIS 204.A O no hydrogen 2.746 N/A GLN 209.A N ARG 205.A O no hydrogen 2.986 N/A GLN 209.A NE2 GLU 157.A OE1 no hydrogen 2.981 N/A LEU 210.A N VAL 206.A O no hydrogen 3.074 N/A GLN 211.A N VAL 207.A O no hydrogen 2.915 N/A LYS 212.A N GLU 208.A O no hydrogen 3.235 N/A LYS 212.A NZ LYS 212.A O no hydrogen 3.396 N/A VAL 213.A N GLN 209.A O no hydrogen 3.166 N/A ARG 214.A N GLN 211.A O no hydrogen 2.658 N/A PHE 215.A N LEU 210.A O no hydrogen 3.080 N/A ILE 216.A N LEU 210.A O no hydrogen 3.365 N/A THR 217.A N VAL 230.A O no hydrogen 2.843 N/A THR 217.A OG1 ASP 218.A OD2 no hydrogen 3.057 N/A ASP 218.A N VAL 230.A O no hydrogen 3.424 N/A LEU 220.A N MET 228.A O no hydrogen 2.634 N/A SER 221.A N MET 228.A O no hydrogen 2.902 N/A GLY 223.A N LYS 226.A O no hydrogen 2.779 N/A PHE 227.A N ILE 249.A O no hydrogen 3.040 N/A MET 228.A N SER 221.A O no hydrogen 2.651 N/A GLY 229.A N ILE 247.A O no hydrogen 2.986 N/A VAL 230.A N ASP 218.A O no hydrogen 2.881 N/A CYS 231.A N ARG 245.A O no hydrogen 2.871 N/A CYS 231.A SG ARG 245.A O no hydrogen 4.024 N/A GLN 232.A N PHE 215.A O no hydrogen 2.977 N/A GLN 232.A NE2 TYR 242.A O no hydrogen 3.187 N/A GLU 236.A N GLU 236.A OE1 no hydrogen 2.372 N/A ASN 237.A N SER 235.A O no hydrogen 2.318 N/A ASN 240.A N ASP 238.A O no hydrogen 2.942 N/A HIS 244.A N ASP 137.A OD1 no hydrogen 2.946 N/A ARG 245.A N CYS 231.A O no hydrogen 3.048 N/A ARG 245.A NE GLU 146.A OE2 no hydrogen 3.221 N/A ARG 245.A NH1 ARG 141.A O no hydrogen 3.446 N/A ARG 245.A NH2 GLU 146.A OE2 no hydrogen 3.182 N/A ARG 246.A NH1 GLY 229.A O no hydrogen 2.968 N/A ARG 246.A NH1 ILE 247.A O no hydrogen 3.253 N/A ARG 246.A NH1 ASP 248.A OD1 no hydrogen 3.226 N/A ARG 246.A NH2 ASP 248.A OD1 no hydrogen 3.251 N/A ILE 247.A N GLY 229.A O no hydrogen 2.996 N/A ASP 248.A N MET 183.A O no hydrogen 2.947 N/A ILE 249.A N PHE 227.A O no hydrogen 2.907 N/A ARG 250.A N.A VAL 185.A O no hydrogen 2.857 N/A ARG 250.A N.B VAL 185.A O no hydrogen 2.860 N/A ARG 250.A NH2.A TYR 288.A OH no hydrogen 2.577 N/A LEU 251.A N THR 225.A O no hydrogen 2.869 N/A GLN 252.A N LEU 187.A O no hydrogen 2.769 N/A GLN 252.A NE2 GLN 256.A O no hydrogen 3.306 N/A GLN 252.A NE2 GLU 287.A O no hydrogen 2.653 N/A LYS 254.A N PHE 192.A O no hydrogen 2.985 N/A ASP 255.A N ASP 255.A OD1 no hydrogen 2.468 N/A GLN 256.A N PRO 253.A O no hydrogen 3.223 N/A GLY 260.A N GLN 256.A O no hydrogen 3.391 N/A VAL 261.A N TYR 257.A O no hydrogen 2.798 N/A LEU 262.A N TYR 258.A O no hydrogen 2.993 N/A LEU 262.A N CYS 259.A O no hydrogen 3.203 N/A TYR 263.A N CYS 259.A O no hydrogen 3.062 N/A PHE 264.A N GLY 260.A O no hydrogen 3.270 N/A THR 265.A OG1 THR 265.A O no hydrogen 2.236 N/A SER 267.A N ARG 325.A O no hydrogen 3.064 N/A PHE 270.A N SER 267.A OG no hydrogen 3.193 N/A ASN 271.A N SER 267.A O no hydrogen 2.867 N/A ASN 271.A ND2 TYR 263.A O no hydrogen 2.422 N/A LYS 272.A N ASP 268.A O no hydrogen 3.105 N/A LYS 272.A N ILE 269.A O no hydrogen 2.981 N/A ASN 273.A N ILE 269.A O no hydrogen 2.707 N/A MET 274.A N PHE 270.A O no hydrogen 2.995 N/A ARG 275.A N ASN 271.A O no hydrogen 3.195 N/A ALA 276.A N LYS 272.A O no hydrogen 3.080 N/A HIS 277.A N ASN 273.A O no hydrogen 2.664 N/A ALA 278.A N ARG 275.A O no hydrogen 3.182 N/A LEU 279.A N ARG 275.A O no hydrogen 3.373 N/A LEU 279.A N ALA 276.A O no hydrogen 2.834 N/A LYS 281.A NZ HIS 277.A O no hydrogen 2.491 N/A PHE 283.A N ALA 278.A O no hydrogen 3.184 N/A THR 284.A N ARG 291.A O no hydrogen 3.055 N/A ASN 286.A N THR 289.A O no hydrogen 2.985 N/A GLU 287.A N GLU 287.A OE1 no hydrogen 3.126 N/A LEU 293.A N GLY 282.A O no hydrogen 2.565 N/A GLY 294.A N VAL 298.A O no hydrogen 2.888 N/A GLY 300.A N PRO 292.A O no hydrogen 2.895 N/A ASP 306.A N ASP 310.A OD2 no hydrogen 3.298 N/A SER 307.A OG GLN 309.A OE1 no hydrogen 3.462 N/A GLN 309.A N GLN 309.A OE1 no hydrogen 2.457 N/A ASP 310.A N SER 307.A O no hydrogen 3.214 N/A ASP 310.A N SER 307.A OG no hydrogen 3.136 N/A PHE 312.A N GLU 308.A O no hydrogen 3.125 N/A ASP 313.A N GLN 309.A O no hydrogen 2.713 N/A TYR 314.A N ILE 311.A O no hydrogen 3.077 N/A TYR 314.A OH PRO 304.A O no hydrogen 2.657 N/A TRP 317.A N PHE 312.A O no hydrogen 2.935 N/A ARG 320.A NH1 ASP 324.A O no hydrogen 2.829 N/A ASP 324.A N GLU 321.A O no hydrogen 2.951 N/A ARG 325.A NE ARG 320.A O no hydrogen 3.241 N/A ARG 325.A NH1 GLU 308.A OE2 no hydrogen 3.207 N/A ARG 325.A NH2 GLU 308.A OE1 no hydrogen 3.034 N/A