Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u61_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N GLU 21.A OE2 no hydrogen 3.340 N/A THR 2.A OG1 GLU 21.A OE1 no hydrogen 3.164 N/A THR 2.A OG1 GLU 21.A OE2 no hydrogen 2.945 N/A ASN 4.A N LYS 13.A O no hydrogen 2.986 N/A LYS 13.A N ILE 9.A O no hydrogen 2.689 N/A TYR 14.A N LEU 10.A O no hydrogen 2.425 N/A TYR 14.A OH GLU 182.A OE1 no hydrogen 2.568 N/A ARG 15.A NH1 GLN 12.A OE1 no hydrogen 2.613 N/A GLU 21.A N THR 18.A O no hydrogen 2.748 N/A GLU 21.A N THR 18.A OG1 no hydrogen 3.127 N/A CYS 22.A N THR 18.A O no hydrogen 3.116 N/A CYS 22.A SG PRO 16.A O no hydrogen 3.999 N/A CYS 22.A SG THR 18.A O no hydrogen 3.048 N/A ALA 26.A N ASP 163.A OD2 no hydrogen 2.667 N/A LYS 29.A N PRO 25.A O no hydrogen 3.128 N/A LYS 29.A N ALA 26.A O no hydrogen 3.186 N/A LYS 29.A NZ ASP 20.A O no hydrogen 2.636 N/A LYS 29.A NZ CYS 22.A O no hydrogen 2.821 N/A GLU 30.A N ALA 26.A O no hydrogen 3.453 N/A THR 31.A N PHE 27.A O no hydrogen 2.816 N/A THR 31.A OG1 PHE 27.A O no hydrogen 2.544 N/A PHE 32.A N ASP 28.A O no hydrogen 3.377 N/A LYS 33.A N LYS 29.A O no hydrogen 3.107 N/A LYS 33.A NZ ASP 20.A OD1 no hydrogen 2.340 N/A SER 34.A N GLU 30.A O no hydrogen 2.667 N/A ILE 35.A N THR 31.A O no hydrogen 3.045 N/A THR 36.A N PHE 32.A O no hydrogen 2.731 N/A THR 36.A OG1 PHE 32.A O no hydrogen 2.916 N/A SER 37.A N LYS 33.A O no hydrogen 2.850 N/A SER 37.A OG LYS 33.A O no hydrogen 2.937 N/A SER 37.A OG SER 34.A O no hydrogen 2.939 N/A ILE 41.A N GLN 100.A OE1 no hydrogen 3.444 N/A ILE 44.A N ILE 133.A O no hydrogen 2.750 N/A ILE 45.A N ARG 152.A O no hydrogen 2.769 N/A LEU 46.A N ILE 135.A O no hydrogen 3.081 N/A HIS 47.A N ILE 154.A O no hydrogen 3.336 N/A SER 48.A N ALA 137.A O no hydrogen 3.076 N/A SER 48.A OG THR 53.A OG1 no hydrogen 2.980 N/A THR 53.A OG1 SER 50.A O no hydrogen 3.357 N/A LYS 55.A NZ GLU 107.A OE2 no hydrogen 2.086 N/A LYS 55.A NZ ASN 138.A OD1 no hydrogen 3.105 N/A VAL 58.A N GLY 54.A O no hydrogen 2.858 N/A ALA 59.A N LYS 55.A O no hydrogen 2.957 N/A LYS 60.A N THR 56.A O no hydrogen 3.236 N/A ALA 61.A N THR 57.A O no hydrogen 3.254 N/A LEU 62.A N VAL 58.A O no hydrogen 2.847 N/A CYS 63.A SG ALA 59.A O no hydrogen 3.701 N/A HIS 64.A N LYS 60.A O no hydrogen 3.117 N/A HIS 64.A ND1 ASP 65.A OD1 no hydrogen 2.975 N/A ASP 65.A N ALA 61.A O no hydrogen 2.702 N/A VAL 66.A N CYS 63.A O no hydrogen 3.167 N/A ASN 67.A N HIS 64.A O no hydrogen 2.216 N/A ALA 68.A N CYS 63.A O no hydrogen 2.773 N/A ASP 69.A N GLN 100.A O no hydrogen 2.614 N/A MET 71.A N VAL 102.A O no hydrogen 3.028 N/A VAL 73.A N VAL 104.A O no hydrogen 2.851 N/A GLY 75.A N ASP 106.A O no hydrogen 2.487 N/A SER 76.A N ASN 74.A OD1 no hydrogen 3.072 N/A ASP 77.A N ASN 74.A O no hydrogen 3.161 N/A CYS 78.A N GLY 75.A O no hydrogen 3.266 N/A VAL 83.A N LYS 79.A O no hydrogen 2.936 N/A GLY 85.A N ASP 81.A O no hydrogen 3.066 N/A LEU 87.A N PHE 82.A O no hydrogen 3.156 N/A THR 88.A OG1 VAL 83.A O no hydrogen 3.554 N/A ASN 89.A N GLY 85.A O no hydrogen 2.916 N/A PHE 90.A N PRO 86.A O no hydrogen 2.850 N/A ALA 91.A N LEU 87.A O no hydrogen 3.017 N/A SER 92.A N THR 88.A O no hydrogen 2.915 N/A SER 92.A OG THR 88.A O no hydrogen 2.997 N/A SER 92.A OG ASN 89.A O no hydrogen 3.497 N/A ALA 93.A N ASN 89.A O no hydrogen 2.344 N/A SER 95.A OG ASP 69.A OD2 no hydrogen 2.741 N/A ARG 99.A N ASP 97.A OD1 no hydrogen 2.754 N/A ARG 99.A NH1 ALA 68.A O no hydrogen 3.057 N/A GLN 100.A NE2 GLY 39.A O no hydrogen 3.313 N/A LYS 101.A NZ PHE 90.A O no hydrogen 2.352 N/A LYS 101.A NZ ALA 93.A O no hydrogen 2.544 N/A VAL 102.A N ASP 69.A O no hydrogen 3.032 N/A ILE 103.A N SER 132.A O no hydrogen 2.993 N/A VAL 104.A N MET 71.A O no hydrogen 3.061 N/A ILE 105.A N ILE 134.A O no hydrogen 2.895 N/A ASP 106.A N VAL 73.A O no hydrogen 2.838 N/A PHE 108.A N THR 136.A O no hydrogen 2.988 N/A ASP 109.A N ASP 109.A OD1 no hydrogen 2.275 N/A LEU 113.A N ARG 110.A O no hydrogen 3.266 N/A GLN 117.A N LEU 113.A O no hydrogen 2.989 N/A GLN 117.A N ALA 114.A O no hydrogen 3.071 N/A GLN 117.A NE2 PHE 108.A O no hydrogen 2.761 N/A GLN 117.A NE2 GLY 142.A O no hydrogen 2.939 N/A ARG 118.A N ALA 114.A O no hydrogen 3.032 N/A HIS 119.A N GLU 115.A O no hydrogen 2.988 N/A LEU 120.A N GLN 117.A O no hydrogen 2.966 N/A ARG 121.A N GLN 117.A O no hydrogen 2.906 N/A ARG 121.A NE PRO 146.A O no hydrogen 2.907 N/A ARG 121.A NH1 GLU 125.A OE2 no hydrogen 3.140 N/A SER 122.A N ARG 118.A O no hydrogen 3.205 N/A PHE 123.A N HIS 119.A O no hydrogen 3.097 N/A MET 124.A N LEU 120.A O no hydrogen 2.667 N/A MET 124.A N ARG 121.A O no hydrogen 3.266 N/A GLU 125.A N ARG 121.A O no hydrogen 3.381 N/A ALA 126.A N SER 122.A O no hydrogen 2.873 N/A TYR 127.A N PHE 123.A O no hydrogen 2.585 N/A SER 128.A N MET 124.A O no hydrogen 3.117 N/A SER 128.A OG MET 124.A O no hydrogen 2.401 N/A ASN 130.A N TYR 127.A O no hydrogen 2.843 N/A CYS 131.A N SER 128.A O no hydrogen 3.158 N/A CYS 131.A SG TYR 127.A O no hydrogen 4.014 N/A SER 132.A N LYS 101.A O no hydrogen 3.132 N/A SER 132.A OG ILE 41.A O no hydrogen 2.809 N/A ILE 133.A N HIS 43.A ND1 no hydrogen 2.997 N/A ILE 134.A N ILE 103.A O no hydrogen 3.237 N/A ILE 135.A N ILE 44.A O no hydrogen 2.933 N/A THR 136.A N ILE 105.A O no hydrogen 3.049 N/A ALA 137.A N LEU 46.A O no hydrogen 2.926 N/A ASN 138.A N ASP 109.A OD2 no hydrogen 2.620 N/A ASN 138.A ND2 GLU 107.A OE1 no hydrogen 3.145 N/A ASN 139.A N ASP 109.A OD2 no hydrogen 3.250 N/A ASP 141.A N ASN 139.A OD1 no hydrogen 3.224 N/A GLY 142.A N ASN 139.A O no hydrogen 2.709 N/A ILE 143.A N ILE 140.A O no hydrogen 2.591 N/A ILE 144.A N GLN 117.A OE1 no hydrogen 2.772 N/A SER 149.A N PRO 146.A O no hydrogen 3.215 N/A ARG 150.A N PRO 146.A O no hydrogen 3.402 N/A ARG 150.A NH2 GLU 125.A OE2 no hydrogen 2.104 N/A CYS 151.A N LEU 147.A O no hydrogen 3.177 N/A ARG 152.A N HIS 43.A O no hydrogen 2.636 N/A PHE 156.A N HIS 47.A O no hydrogen 3.065 N/A THR 160.A N ASP 163.A OD2 no hydrogen 3.165 N/A THR 160.A OG1 GLU 162.A OE1 no hydrogen 3.485 N/A THR 160.A OG1 ASP 163.A OD2 no hydrogen 2.874 N/A GLU 162.A N GLU 162.A OE1 no hydrogen 3.080 N/A LYS 164.A N THR 160.A O no hydrogen 2.696 N/A ILE 165.A N ASP 161.A O no hydrogen 3.120 N/A GLU 166.A N GLU 162.A O no hydrogen 2.945 N/A MET 167.A N ASP 163.A O no hydrogen 2.482 N/A MET 168.A N LYS 164.A O no hydrogen 2.854 N/A LYS 169.A N ILE 165.A O no hydrogen 3.457 N/A LYS 169.A NZ GLU 166.A OE1 no hydrogen 3.447 N/A GLN 170.A N GLU 166.A O no hydrogen 3.387 N/A GLN 170.A NE2 GLU 166.A OE2 no hydrogen 3.406 N/A MET 171.A N MET 167.A O no hydrogen 2.925 N/A ILE 172.A N MET 168.A O no hydrogen 2.817 N/A ARG 173.A N LYS 169.A O no hydrogen 2.927 N/A ARG 173.A NH2 GLU 166.A OE2 no hydrogen 3.417 N/A ARG 174.A N GLN 170.A O no hydrogen 2.947 N/A ARG 174.A NH1 GLU 21.A OE2 no hydrogen 2.992 N/A ARG 174.A NH2 GLU 21.A OE2 no hydrogen 3.477 N/A LEU 175.A N MET 171.A O no hydrogen 3.071 N/A LEU 175.A N ILE 172.A O no hydrogen 3.102 N/A THR 176.A N ILE 172.A O no hydrogen 3.181 N/A THR 176.A OG1 ILE 172.A O no hydrogen 3.431 N/A GLU 177.A N ARG 173.A O no hydrogen 3.339 N/A ILE 178.A N ARG 174.A O no hydrogen 3.413 N/A CYS 179.A N LEU 175.A O no hydrogen 3.328 N/A CYS 179.A SG LEU 175.A O no hydrogen 3.578 N/A LYS 180.A N THR 176.A O no hydrogen 2.996 N/A LYS 180.A N GLU 177.A O no hydrogen 3.202 N/A HIS 181.A N GLU 177.A O no hydrogen 3.372 N/A GLU 182.A N ILE 178.A O no hydrogen 3.006 N/A VAL 196.A N VAL 192.A O no hydrogen 3.276 N/A LYS 198.A N ALA 194.A O no hydrogen 3.032 N/A ASN 199.A ND2 ASN 199.A O no hydrogen 2.524 N/A PHE 203.A N GLY 52.A O no hydrogen 2.876 N/A ARG 204.A N GLY 52.A O no hydrogen 3.247 N/A LYS 205.A N ASP 202.A OD1 no hydrogen 2.927 N/A ILE 207.A N ARG 204.A O no hydrogen 3.309 N/A GLU 209.A N LYS 205.A O no hydrogen 3.494 N/A ASP 211.A N ILE 207.A O no hydrogen 3.403 N/A SER 212.A N GLY 208.A O no hydrogen 3.087 N/A SER 212.A OG GLY 208.A O no hydrogen 3.570 N/A TYR 213.A N GLU 209.A O no hydrogen 3.164 N/A SER 214.A N ASP 211.A O no hydrogen 3.325 N/A SER 214.A OG ASP 211.A O no hydrogen 2.760 N/A SER 215.A OG SER 212.A O no hydrogen 2.897 N/A GLY 217.A N SER 214.A O no hydrogen 2.464 N/A LEU 219.A N ALA 185.A O no hydrogen 2.964 N/A LEU 226.A N ILE 222.A O no hydrogen 3.058 N/A GLU 227.A N ASP 223.A O no hydrogen 2.825 N/A SER 228.A N ASP 224.A O no hydrogen 3.226 N/A SER 228.A OG ASP 224.A O no hydrogen 2.967 N/A SER 228.A OG GLN 236.A OE1 no hydrogen 3.350 N/A LEU 229.A N VAL 225.A O no hydrogen 2.960 N/A LYS 230.A N LEU 226.A O no hydrogen 3.484 N/A ASN 231.A N GLU 227.A O no hydrogen 3.187 N/A LYS 232.A N LEU 229.A O no hydrogen 3.134 N/A ARG 238.A N VAL 234.A O no hydrogen 2.595 N/A ALA 239.A N LYS 235.A O no hydrogen 3.228 N/A ALA 239.A N GLN 236.A O no hydrogen 3.090 N/A LEU 240.A N GLN 236.A O no hydrogen 2.864 N/A ALA 241.A N LEU 237.A O no hydrogen 3.046 N/A LYS 243.A N LEU 240.A O no hydrogen 3.015 N/A LYS 243.A NZ ASP 224.A OD2 no hydrogen 2.882 N/A LYS 243.A NZ TYR 244.A OH no hydrogen 3.229 N/A TYR 244.A N ALA 241.A O no hydrogen 3.160 N/A TYR 244.A OH ASP 224.A OD1 no hydrogen 3.225 N/A TYR 244.A OH ASP 224.A OD2 no hydrogen 3.223 N/A ALA 245.A N PRO 242.A O no hydrogen 3.428 N/A TYR 248.A OH ASN 278.A OD1 no hydrogen 2.520 N/A PHE 251.A N ASP 247.A O no hydrogen 3.306 N/A VAL 252.A N TYR 248.A O no hydrogen 2.766 N/A LYS 254.A N TRP 250.A O no hydrogen 3.140 N/A LYS 254.A NZ GLU 258.A OE1 no hydrogen 3.373 N/A LEU 255.A N PHE 251.A O no hydrogen 2.872 N/A ALA 256.A N VAL 252.A O no hydrogen 3.270 N/A GLU 257.A N GLY 253.A O no hydrogen 3.198 N/A GLU 258.A N LYS 254.A O no hydrogen 3.142 N/A ILE 259.A N LEU 255.A O no hydrogen 2.923 N/A TYR 260.A N ALA 256.A O no hydrogen 3.251 N/A SER 261.A OG GLU 258.A O no hydrogen 3.186 N/A THR 264.A N GLN 304.A O no hydrogen 3.256 N/A GLN 266.A N THR 264.A OG1 no hydrogen 3.229 N/A SER 267.A OG GLN 304.A O no hydrogen 3.517 N/A ILE 268.A N PRO 265.A O no hydrogen 3.244 N/A ARG 270.A NE GLU 302.A OE1 no hydrogen 3.044 N/A ARG 270.A NH1 GLU 273.A OE1 no hydrogen 2.512 N/A ARG 270.A NH2 GLU 302.A OE2 no hydrogen 3.299 N/A MET 271.A N SER 267.A O no hydrogen 2.717 N/A TYR 272.A N ILE 268.A O no hydrogen 3.268 N/A ILE 274.A N ARG 270.A O no hydrogen 2.893 N/A VAL 275.A N MET 271.A O no hydrogen 3.031 N/A GLY 276.A N TYR 272.A O no hydrogen 2.746 N/A GLU 277.A N GLU 273.A O no hydrogen 2.923 N/A ASN 278.A N ILE 274.A O no hydrogen 3.032 N/A ASN 278.A ND2 HIS 291.A O no hydrogen 3.465 N/A ASN 279.A N VAL 275.A O no hydrogen 2.824 N/A GLN 280.A N GLY 276.A O no hydrogen 2.884 N/A TYR 281.A N GLU 277.A O no hydrogen 3.173 N/A TYR 281.A N ASN 278.A O no hydrogen 2.963 N/A HIS 282.A N ASN 279.A O no hydrogen 3.103 N/A ILE 284.A N TYR 281.A O no hydrogen 3.206 N/A ALA 285.A N TYR 281.A O no hydrogen 3.204 N/A GLU 289.A N ASN 287.A OD1 no hydrogen 3.125 N/A HIS 291.A N ASN 287.A O no hydrogen 3.017 N/A HIS 291.A NE2 ASN 278.A O no hydrogen 3.002 N/A LEU 292.A N THR 288.A O no hydrogen 3.106 N/A ALA 293.A N GLU 289.A O no hydrogen 3.156 N/A TYR 294.A N LEU 290.A O no hydrogen 2.740 N/A PHE 296.A N LEU 292.A O no hydrogen 3.104 N/A ILE 297.A N ALA 293.A O no hydrogen 3.224 N/A GLN 298.A N TYR 294.A O no hydrogen 3.405 N/A LEU 299.A N LEU 295.A O no hydrogen 2.890 N/A ALA 300.A N PHE 296.A O no hydrogen 2.879 N/A CYS 301.A N ILE 297.A O no hydrogen 2.971 N/A CYS 301.A SG ILE 297.A O no hydrogen 3.344 N/A GLU 302.A N GLN 298.A O no hydrogen 3.349 N/A MET 303.A N LEU 299.A O no hydrogen 2.788 N/A GLN 304.A N SER 267.A OG no hydrogen 3.322 N/A