Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jr3_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 38.A OD2 no hydrogen 3.163 N/A TRP 6.A NE1 MET 35.A O no hydrogen 2.699 N/A ARG 8.A N PRO 5.A O no hydrogen 3.335 N/A PHE 11.A N LEU 7.A O no hydrogen 3.094 N/A GLU 12.A N ARG 8.A O no hydrogen 2.762 N/A LEU 14.A N ASP 10.A O no hydrogen 3.164 N/A VAL 15.A N GLU 12.A O no hydrogen 3.296 N/A ALA 16.A N GLU 12.A O no hydrogen 2.976 N/A SER 17.A OG LEU 14.A O no hydrogen 3.397 N/A GLN 19.A NE2 TYR 47.A OH no hydrogen 3.274 N/A ARG 22.A NE ALA 20.A O no hydrogen 3.277 N/A HIS 24.A NE2 ARG 158.A O no hydrogen 2.989 N/A LEU 27.A N PHE 141.A O no hydrogen 3.113 N/A LEU 28.A N ARG 160.A O no hydrogen 3.142 N/A ILE 29.A N LEU 143.A O no hydrogen 3.312 N/A GLN 30.A N HIS 162.A O no hydrogen 3.349 N/A LEU 40.A N GLY 36.A O no hydrogen 3.168 N/A ALA 43.A N ALA 39.A O no hydrogen 3.000 N/A LEU 44.A N LEU 40.A O no hydrogen 3.076 N/A LEU 44.A N ILE 41.A O no hydrogen 3.151 N/A SER 45.A N ILE 41.A O no hydrogen 3.064 N/A SER 45.A OG ILE 41.A O no hydrogen 3.263 N/A SER 45.A OG TYR 42.A O no hydrogen 2.823 N/A ARG 46.A N TYR 42.A O no hydrogen 3.206 N/A ARG 46.A NH1 MET 68.A O no hydrogen 2.725 N/A TYR 47.A N LEU 44.A O no hydrogen 3.180 N/A LEU 49.A N SER 45.A O no hydrogen 2.869 N/A GLN 51.A NE2 LEU 49.A O no hydrogen 3.652 N/A GLN 54.A N LYS 57.A O no hydrogen 2.933 N/A SER 58.A OG ARG 46.A O no hydrogen 2.711 N/A CYS 59.A SG GLN 52.A O no hydrogen 3.393 N/A GLN 66.A N CYS 62.A O no hydrogen 2.814 N/A LEU 67.A N ARG 63.A O no hydrogen 2.872 N/A MET 68.A N GLY 64.A O no hydrogen 2.675 N/A GLN 69.A N CYS 65.A O no hydrogen 2.786 N/A ALA 70.A N GLN 66.A O no hydrogen 2.804 N/A GLY 71.A N MET 68.A O no hydrogen 2.746 N/A THR 72.A N ALA 70.A O no hydrogen 2.720 N/A HIS 73.A NE2 ASP 75.A OD2 no hydrogen 3.267 N/A TYR 77.A N VAL 111.A O no hydrogen 3.097 N/A LEU 79.A N TRP 113.A O no hydrogen 2.971 N/A LYS 85.A N GLU 82.A O no hydrogen 3.126 N/A ARG 94.A N VAL 90.A O no hydrogen 3.355 N/A GLU 95.A N ASP 91.A O no hydrogen 3.032 N/A VAL 96.A N VAL 93.A O no hydrogen 2.952 N/A THR 97.A N VAL 93.A O no hydrogen 2.898 N/A THR 97.A OG1 VAL 93.A O no hydrogen 2.868 N/A GLU 98.A N ARG 94.A O no hydrogen 3.192 N/A LEU 100.A N VAL 96.A O no hydrogen 3.207 N/A LEU 100.A N THR 97.A O no hydrogen 3.079 N/A ASN 101.A N THR 97.A O no hydrogen 3.246 N/A ASN 101.A N GLU 98.A O no hydrogen 3.281 N/A GLY 107.A N ALA 104.A O no hydrogen 2.968 N/A LYS 110.A NZ THR 139.A OG1 no hydrogen 3.420 N/A VAL 111.A N ASP 75.A O no hydrogen 2.858 N/A VAL 112.A N TRP 140.A O no hydrogen 2.855 N/A TRP 113.A N TYR 77.A O no hydrogen 3.255 N/A VAL 114.A N PHE 142.A O no hydrogen 2.928 N/A ALA 117.A N ALA 144.A O no hydrogen 3.209 N/A ALA 117.A N THR 145.A OG1 no hydrogen 3.216 N/A ALA 118.A N ASP 116.A OD1 no hydrogen 2.944 N/A LEU 119.A N ASP 116.A O no hydrogen 3.344 N/A LEU 120.A N ALA 117.A O no hydrogen 3.517 N/A THR 121.A OG1 LEU 88.A O no hydrogen 2.750 N/A ALA 125.A N THR 121.A O no hydrogen 3.112 N/A ALA 125.A N ASP 122.A O no hydrogen 3.229 N/A ASN 126.A ND2 ASP 122.A O no hydrogen 3.286 N/A ALA 127.A N ALA 123.A O no hydrogen 3.024 N/A LEU 128.A N ALA 125.A O no hydrogen 3.021 N/A LEU 129.A N ALA 125.A O no hydrogen 3.172 N/A THR 131.A N LEU 128.A O no hydrogen 3.291 N/A LEU 132.A N LEU 129.A O no hydrogen 2.760 N/A GLU 133.A N LEU 129.A O no hydrogen 3.119 N/A GLU 134.A N LYS 130.A O no hydrogen 3.057 N/A THR 139.A OG1 PRO 136.A O no hydrogen 2.701 N/A TRP 140.A N LYS 110.A O no hydrogen 2.618 N/A LEU 143.A N LEU 27.A O no hydrogen 2.389 N/A THR 145.A N ILE 29.A O no hydrogen 2.888 N/A THR 145.A OG1 ALA 144.A O no hydrogen 2.636 N/A ARG 146.A NE GLU 147.A OE2 no hydrogen 3.360 N/A LEU 155.A N LEU 152.A O no hydrogen 2.529 N/A ARG 156.A N LEU 152.A O no hydrogen 2.972 N/A SER 157.A OG THR 154.A O no hydrogen 2.610 N/A ARG 158.A N LEU 155.A O no hydrogen 3.002 N/A CYS 159.A SG LEU 155.A O no hydrogen 3.218 N/A ARG 160.A N ALA 26.A O no hydrogen 3.033 N/A HIS 162.A N LEU 28.A O no hydrogen 3.002 N/A HIS 162.A NE2 ASP 10.A OD2 no hydrogen 3.332 N/A LEU 164.A N GLN 30.A O no hydrogen 3.171 N/A TYR 171.A N PRO 168.A O no hydrogen 2.883 N/A ALA 172.A N PRO 168.A O no hydrogen 3.146 N/A VAL 173.A N GLU 169.A O no hydrogen 2.908 N/A THR 174.A N GLN 170.A O no hydrogen 3.314 N/A TRP 175.A N TYR 171.A O no hydrogen 3.010 N/A LEU 176.A N ALA 172.A O no hydrogen 2.966 N/A SER 177.A N VAL 173.A O no hydrogen 2.721 N/A SER 177.A OG THR 174.A O no hydrogen 2.849 N/A ARG 178.A N TRP 175.A O no hydrogen 3.243 N/A VAL 180.A N LEU 176.A O no hydrogen 3.225 N/A ALA 186.A N SER 183.A O no hydrogen 2.956 N/A LEU 187.A N SER 183.A O no hydrogen 2.888 N/A LEU 188.A N GLN 184.A O no hydrogen 2.779 N/A ALA 189.A N ASP 185.A O no hydrogen 3.358 N/A ALA 190.A N ALA 186.A O no hydrogen 3.082 N/A LEU 191.A N LEU 187.A O no hydrogen 3.128 N/A ARG 192.A N LEU 188.A O no hydrogen 2.840 N/A ARG 192.A NE GLU 169.A OE2 no hydrogen 2.837 N/A ARG 192.A NH1 VAL 265.A O no hydrogen 3.090 N/A ARG 192.A NH2 GLU 169.A OE1 no hydrogen 2.679 N/A LEU 193.A N ALA 189.A O no hydrogen 2.767 N/A SER 194.A N LEU 191.A O no hydrogen 2.926 N/A SER 194.A OG ALA 190.A O no hydrogen 3.105 N/A SER 194.A OG LEU 193.A O no hydrogen 2.863 N/A ALA 195.A N ARG 192.A O no hydrogen 3.321 N/A GLY 196.A N LEU 191.A O no hydrogen 2.997 N/A SER 197.A N SER 194.A O no hydrogen 2.945 N/A SER 197.A OG PRO 33.A O no hydrogen 2.676 N/A SER 197.A OG GLY 34.A O no hydrogen 3.019 N/A ALA 200.A N SER 197.A OG no hydrogen 2.918 N/A ALA 201.A N SER 197.A O no hydrogen 3.084 N/A LEU 202.A N PRO 198.A O no hydrogen 2.908 N/A ALA 203.A N GLY 199.A O no hydrogen 3.051 N/A LEU 204.A N ALA 200.A O no hydrogen 2.874 N/A LEU 204.A N ALA 201.A O no hydrogen 2.638 N/A PHE 205.A N LEU 202.A O no hydrogen 3.109 N/A ALA 212.A N ASP 208.A O no hydrogen 2.897 N/A ARG 213.A N ASN 209.A O no hydrogen 2.670 N/A GLU 214.A N TRP 210.A O no hydrogen 2.836 N/A THR 215.A N GLN 211.A O no hydrogen 3.035 N/A THR 215.A OG1 GLN 211.A O no hydrogen 3.311 N/A LEU 216.A N ARG 213.A O no hydrogen 3.206 N/A CYS 217.A N ARG 213.A O no hydrogen 3.336 N/A CYS 217.A SG ARG 213.A O no hydrogen 3.777 N/A GLN 218.A N GLU 214.A O no hydrogen 3.257 N/A ALA 219.A N THR 215.A O no hydrogen 3.159 N/A LEU 220.A N LEU 216.A O no hydrogen 3.006 N/A ALA 221.A N CYS 217.A O no hydrogen 3.064 N/A TYR 222.A N GLN 218.A O no hydrogen 3.221 N/A TYR 222.A N ALA 219.A O no hydrogen 3.087 N/A SER 223.A N ALA 219.A O no hydrogen 3.066 N/A SER 223.A OG ALA 219.A O no hydrogen 3.338 N/A SER 223.A OG LEU 220.A O no hydrogen 2.819 N/A VAL 224.A N LEU 220.A O no hydrogen 2.868 N/A SER 226.A N TYR 222.A O no hydrogen 3.296 N/A SER 226.A OG TYR 222.A O no hydrogen 3.031 N/A SER 226.A OG SER 223.A O no hydrogen 3.287 N/A GLY 227.A N SER 223.A O no hydrogen 2.605 N/A ASP 228.A N SER 226.A OG no hydrogen 3.089 N/A TRP 229.A N GLU 320.A OE2 no hydrogen 2.592 N/A TYR 230.A N GLU 320.A OE2 no hydrogen 3.146 N/A SER 231.A OG ASP 228.A O no hydrogen 3.409 N/A LEU 232.A N TRP 229.A O no hydrogen 3.016 N/A LEU 233.A N TYR 230.A O no hydrogen 3.361 N/A LEU 236.A N LEU 232.A O no hydrogen 2.896 N/A ASN 237.A N LEU 233.A O no hydrogen 2.826 N/A GLN 240.A N HIS 238.A ND1 no hydrogen 2.804 N/A ALA 241.A N HIS 238.A O no hydrogen 2.731 N/A ARG 244.A N GLN 240.A O no hydrogen 3.014 N/A ARG 244.A NH1 ALA 235.A O no hydrogen 3.055 N/A LEU 245.A N ALA 241.A O no hydrogen 2.774 N/A HIS 246.A N PRO 242.A O no hydrogen 3.089 N/A TRP 247.A N ALA 243.A O no hydrogen 3.268 N/A LEU 248.A N ARG 244.A O no hydrogen 3.010 N/A ALA 249.A N LEU 245.A O no hydrogen 3.050 N/A ALA 249.A N HIS 246.A O no hydrogen 2.791 N/A THR 250.A N HIS 246.A O no hydrogen 2.944 N/A THR 250.A OG1 TRP 247.A O no hydrogen 2.715 N/A LEU 251.A N TRP 247.A O no hydrogen 3.331 N/A LEU 252.A N LEU 248.A O no hydrogen 3.280 N/A MET 253.A N ALA 249.A O no hydrogen 2.786 N/A ASP 254.A N THR 250.A O no hydrogen 3.066 N/A ALA 255.A N LEU 251.A O no hydrogen 3.193 N/A LEU 256.A N LEU 252.A O no hydrogen 3.065 N/A LYS 257.A N MET 253.A O no hydrogen 2.933 N/A ARG 258.A N ASP 254.A O no hydrogen 2.986 N/A HIS 259.A N ALA 255.A O no hydrogen 3.358 N/A HIS 259.A N LEU 256.A O no hydrogen 3.095 N/A HIS 259.A NE2 LEU 281.A O no hydrogen 3.025 N/A HIS 260.A N LYS 257.A O no hydrogen 2.916 N/A GLY 261.A N ARG 258.A O no hydrogen 2.974 N/A ALA 262.A N LYS 257.A O no hydrogen 3.046 N/A THR 266.A N ASP 254.A OD1 no hydrogen 3.122 N/A ASN 267.A N ASP 254.A OD2 no hydrogen 2.895 N/A ASN 267.A ND2 THR 250.A OG1 no hydrogen 3.034 N/A ASN 267.A ND2 ASP 254.A OD2 no hydrogen 2.777 N/A VAL 270.A N ASN 267.A O no hydrogen 3.326 N/A LEU 273.A N VAL 270.A O no hydrogen 2.659 N/A ALA 275.A N PRO 271.A O no hydrogen 3.083 N/A GLU 276.A N GLY 272.A O no hydrogen 3.250 N/A LEU 277.A N LEU 273.A O no hydrogen 2.921 N/A ALA 278.A N VAL 274.A O no hydrogen 3.059 N/A ASN 279.A N ALA 275.A O no hydrogen 2.783 N/A HIS 280.A N GLU 276.A O no hydrogen 2.887 N/A LEU 281.A N LEU 277.A O no hydrogen 2.980 N/A SER 282.A OG SER 284.A OG no hydrogen 3.036 N/A SER 284.A OG SER 282.A OG no hydrogen 3.036 N/A ARG 285.A N SER 282.A OG no hydrogen 2.911 N/A ARG 285.A NE TYR 322.A O no hydrogen 2.800 N/A ARG 285.A NH2 TYR 322.A O no hydrogen 3.359 N/A LEU 286.A N SER 282.A O no hydrogen 3.086 N/A GLN 287.A N PRO 283.A O no hydrogen 3.215 N/A ALA 288.A N SER 284.A O no hydrogen 2.939 N/A ILE 289.A N ARG 285.A O no hydrogen 3.053 N/A LEU 290.A N LEU 286.A O no hydrogen 2.901 N/A GLY 291.A N GLN 287.A O no hydrogen 3.141 N/A ASP 292.A N ALA 288.A O no hydrogen 3.330 N/A VAL 293.A N ILE 289.A O no hydrogen 2.870 N/A CYS 294.A N LEU 290.A O no hydrogen 2.947 N/A CYS 294.A SG LEU 290.A O no hydrogen 3.291 N/A HIS 295.A N GLY 291.A O no hydrogen 2.609 N/A ILE 296.A N ASP 292.A O no hydrogen 2.827 N/A ARG 297.A N VAL 293.A O no hydrogen 2.973 N/A ARG 297.A NH1 PRO 242.A O no hydrogen 3.534 N/A GLU 298.A N CYS 294.A O no hydrogen 3.340 N/A GLN 299.A N HIS 295.A O no hydrogen 2.991 N/A LEU 300.A N ILE 296.A O no hydrogen 3.381 N/A MET 301.A N ARG 297.A O no hydrogen 3.134 N/A SER 302.A N GLU 298.A O no hydrogen 2.723 N/A SER 302.A OG GLU 298.A O no hydrogen 2.989 N/A SER 302.A OG GLU 298.A OE2 no hydrogen 3.123 N/A LEU 311.A N ASN 307.A O no hydrogen 3.128 N/A ILE 312.A N ARG 308.A O no hydrogen 3.260 N/A THR 313.A N GLU 309.A O no hydrogen 2.963 N/A THR 313.A OG1 GLU 309.A O no hydrogen 2.555 N/A ASP 314.A N LEU 310.A O no hydrogen 2.885 N/A LEU 315.A N LEU 311.A O no hydrogen 2.796 N/A LEU 316.A N ILE 312.A O no hydrogen 2.694 N/A LEU 317.A N THR 313.A O no hydrogen 2.908 N/A ARG 318.A N ASP 314.A O no hydrogen 2.955 N/A ARG 318.A NH1 ASP 292.A OD2 no hydrogen 2.957 N/A ILE 319.A N LEU 315.A O no hydrogen 2.846 N/A GLU 320.A N LEU 316.A O no hydrogen 3.261 N/A HIS 321.A N ARG 318.A O no hydrogen 3.165 N/A TYR 322.A N ILE 319.A O no hydrogen 3.077 N/A TYR 322.A OH ASP 292.A OD2 no hydrogen 2.876 N/A LEU 323.A N ILE 319.A O no hydrogen 3.329 N/A VAL 327.A N GLN 324.A O no hydrogen 3.427 N/A