Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3thr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A NE ARG 8.A O no hydrogen 3.472 N/A ARG 8.A NH2 PRO 18.A O no hydrogen 2.985 N/A GLU 15.A N GLU 15.A OE2 no hydrogen 2.849 N/A ILE 17.A N ALA 14.A O no hydrogen 3.368 N/A GLN 20.A NE2 SER 9.A O no hydrogen 2.878 N/A GLN 20.A NE2 VAL 12.A O no hydrogen 3.253 N/A ALA 22.A N ASP 19.A O no hydrogen 2.986 N/A GLY 24.A N TYR 21.A O no hydrogen 3.386 N/A ARG 28.A N GLY 24.A O no hydrogen 2.975 N/A ARG 28.A NE GLU 25.A OE1 no hydrogen 2.959 N/A ARG 28.A NH2 GLU 25.A OE1 no hydrogen 3.272 N/A ARG 28.A NH2 GLU 25.A OE2 no hydrogen 2.655 N/A VAL 29.A N GLU 25.A O no hydrogen 3.086 N/A TRP 30.A N ALA 26.A O no hydrogen 2.965 N/A GLN 31.A N ALA 27.A O no hydrogen 3.005 N/A LEU 32.A N ARG 28.A O no hydrogen 3.397 N/A TYR 33.A N VAL 29.A O no hydrogen 2.989 N/A ILE 34.A N TRP 30.A O no hydrogen 2.914 N/A GLY 35.A N GLN 31.A O no hydrogen 3.041 N/A ASP 36.A N TYR 33.A O no hydrogen 3.146 N/A ARG 38.A NH1 GLY 35.A O no hydrogen 3.566 N/A ARG 40.A NH1 VAL 69.A O no hydrogen 2.777 N/A ARG 40.A NH2 VAL 69.A O no hydrogen 2.745 N/A THR 41.A N TYR 193.A O no hydrogen 2.948 N/A THR 41.A OG1 ILE 192.A O no hydrogen 2.813 N/A GLU 43.A N GLU 43.A OE2 no hydrogen 2.995 N/A TYR 44.A N THR 41.A OG1 no hydrogen 3.152 N/A TYR 44.A OH ASP 70.A OD1 no hydrogen 2.453 N/A LYS 45.A N THR 41.A O no hydrogen 3.307 N/A LYS 45.A NZ GLU 77.A OE2 no hydrogen 2.803 N/A ALA 46.A N ALA 42.A O no hydrogen 3.020 N/A TRP 47.A N GLU 43.A O no hydrogen 3.062 N/A LEU 48.A N TYR 44.A O no hydrogen 2.983 N/A LEU 49.A N LYS 45.A O no hydrogen 2.953 N/A GLY 50.A N ALA 46.A O no hydrogen 2.880 N/A LEU 51.A N TRP 47.A O no hydrogen 2.787 N/A LEU 52.A N LEU 48.A O no hydrogen 2.934 N/A ARG 53.A N LEU 49.A O no hydrogen 3.020 N/A ARG 53.A NH2 GLU 77.A O no hydrogen 2.992 N/A GLN 54.A N GLY 50.A O no hydrogen 2.939 N/A HIS 55.A N LEU 51.A O no hydrogen 3.286 N/A GLY 56.A N ARG 53.A O no hydrogen 3.131 N/A CYS 57.A N LEU 52.A O no hydrogen 2.961 N/A CYS 57.A SG LEU 52.A O no hydrogen 3.676 N/A CYS 57.A SG HIS 55.A O no hydrogen 3.833 N/A CYS 57.A SG ASP 131.A O no hydrogen 3.774 N/A HIS 58.A N ASP 131.A OD2 no hydrogen 2.894 N/A HIS 58.A NE2 GLY 78.A O no hydrogen 3.002 N/A ARG 59.A N ASP 131.A OD2 no hydrogen 2.825 N/A ARG 59.A NH1 GLY 129.A O no hydrogen 3.128 N/A VAL 60.A N SER 80.A O no hydrogen 2.947 N/A LEU 61.A N ALA 132.A O no hydrogen 3.030 N/A ASP 62.A N THR 82.A O no hydrogen 2.760 N/A VAL 63.A N ILE 134.A O no hydrogen 3.070 N/A ALA 64.A N ASP 62.A OD1 no hydrogen 3.016 N/A CYS 65.A N VAL 84.A O no hydrogen 3.076 N/A CYS 65.A SG GLY 66.A O no hydrogen 3.630 N/A GLY 66.A N ASP 85.A OD2 no hydrogen 2.632 N/A GLY 68.A N CYS 65.A O no hydrogen 2.839 N/A SER 71.A OG ASP 62.A OD2 no hydrogen 2.813 N/A SER 71.A OG SER 83.A OG no hydrogen 2.622 N/A ILE 72.A N GLY 68.A O no hydrogen 2.836 N/A VAL 75.A N SER 71.A O no hydrogen 2.895 N/A GLU 76.A N ILE 72.A O no hydrogen 2.847 N/A GLU 77.A N MET 73.A O no hydrogen 2.888 N/A GLY 78.A N VAL 75.A O no hydrogen 3.190 N/A PHE 79.A N LEU 74.A O no hydrogen 3.222 N/A SER 80.A N HIS 58.A O no hydrogen 2.865 N/A THR 82.A N VAL 60.A O no hydrogen 2.863 N/A SER 83.A N VAL 111.A O no hydrogen 2.765 N/A SER 83.A OG SER 71.A OG no hydrogen 2.622 N/A VAL 84.A N ASP 62.A O no hydrogen 2.819 N/A ASP 85.A N GLU 113.A O no hydrogen 3.368 N/A SER 87.A N ASP 85.A OD1 no hydrogen 2.945 N/A MET 90.A N SER 87.A OG no hydrogen 3.232 N/A LEU 91.A N SER 87.A O no hydrogen 3.059 N/A LYS 92.A N ASP 88.A O no hydrogen 3.002 N/A TYR 93.A N MET 90.A O no hydrogen 2.927 N/A LEU 95.A N LEU 91.A O no hydrogen 2.964 N/A LYS 96.A N LYS 92.A O no hydrogen 3.127 N/A GLU 97.A N TYR 93.A O no hydrogen 3.106 N/A ARG 98.A N ALA 94.A O no hydrogen 2.942 N/A ARG 98.A NH1 TRP 110.A O no hydrogen 2.864 N/A TRP 99.A N LEU 95.A O no hydrogen 2.937 N/A ASN 100.A N LYS 96.A O no hydrogen 3.076 N/A ARG 101.A N GLU 97.A O no hydrogen 3.075 N/A ARG 101.A NE GLU 104.A OE2 no hydrogen 2.915 N/A ARG 101.A NH1 GLU 76.A OE2 no hydrogen 2.673 N/A ARG 101.A NH2 GLU 76.A OE2 no hydrogen 3.384 N/A ARG 101.A NH2 GLU 104.A OE1 no hydrogen 3.167 N/A ARG 101.A NH2 GLU 104.A OE2 no hydrogen 3.372 N/A ARG 102.A N TRP 99.A O no hydrogen 3.246 N/A ARG 102.A NH1 TRP 99.A O no hydrogen 2.971 N/A GLU 104.A N ARG 101.A O no hydrogen 2.797 N/A PHE 107.A N GLU 104.A O no hydrogen 2.917 N/A ASP 108.A N GLU 104.A O no hydrogen 3.285 N/A LYS 109.A N PRO 105.A O no hydrogen 3.335 N/A LYS 109.A N ALA 106.A O no hydrogen 3.333 N/A TRP 110.A N PHE 107.A O no hydrogen 3.213 N/A TRP 110.A NE1 SER 83.A OG no hydrogen 2.750 N/A VAL 111.A N VAL 81.A O no hydrogen 3.232 N/A GLU 113.A N SER 83.A O no hydrogen 2.969 N/A ALA 115.A N ASP 85.A O no hydrogen 2.998 N/A ASN 116.A N ASP 123.A OD2 no hydrogen 2.778 N/A TRP 117.A NE1 VAL 63.A O no hydrogen 2.850 N/A LEU 118.A N ASN 116.A OD1 no hydrogen 2.940 N/A THR 119.A N ASN 116.A O no hydrogen 2.869 N/A THR 119.A OG1 ASN 116.A O no hydrogen 3.284 N/A THR 119.A OG1 ASP 123.A OD2 no hydrogen 2.705 N/A LEU 120.A N TRP 117.A O no hydrogen 3.339 N/A LYS 122.A N THR 119.A O no hydrogen 3.181 N/A LYS 122.A N ASP 121.A OD1 no hydrogen 3.176 N/A ASP 123.A N THR 119.A O no hydrogen 3.000 N/A VAL 124.A N LEU 120.A O no hydrogen 2.974 N/A GLY 129.A N ALA 126.A O no hydrogen 2.872 N/A PHE 130.A N MET 163.A O no hydrogen 2.869 N/A ALA 132.A N ARG 59.A O no hydrogen 3.209 N/A VAL 133.A N LEU 169.A O no hydrogen 2.700 N/A ILE 134.A N LEU 61.A O no hydrogen 2.883 N/A CYS 135.A N VAL 171.A O no hydrogen 2.826 N/A ASN 138.A N ASP 173.A OD1 no hydrogen 3.001 N/A ASN 138.A ND2 TYR 177.A OH no hydrogen 2.819 N/A SER 139.A OG LEU 136.A O no hydrogen 3.146 N/A HIS 142.A N SER 139.A O no hydrogen 2.862 N/A LEU 143.A N PHE 140.A O no hydrogen 3.156 N/A LYS 147.A NZ SER 151.A OG no hydrogen 2.814 N/A GLY 148.A N ASP 145.A OD1 no hydrogen 2.838 N/A GLN 150.A N ASP 145.A OD1 no hydrogen 3.016 N/A GLN 150.A NE2 HIS 153.A ND1 no hydrogen 3.109 N/A SER 151.A N ASP 149.A OD1 no hydrogen 2.814 N/A SER 151.A OG ASP 149.A OD1 no hydrogen 2.437 N/A SER 151.A OG ASP 149.A OD2 no hydrogen 3.270 N/A HIS 153.A NE2 LEU 143.A O no hydrogen 2.757 N/A ARG 154.A N GLN 150.A O no hydrogen 3.059 N/A ARG 154.A NH1 GLU 250.A OE2 no hydrogen 3.309 N/A ARG 154.A NH2 ASP 149.A O no hydrogen 2.980 N/A LEU 155.A N SER 151.A O no hydrogen 3.082 N/A ALA 156.A N GLU 152.A O no hydrogen 2.946 N/A LEU 157.A N HIS 153.A O no hydrogen 3.084 N/A LYS 158.A N ARG 154.A O no hydrogen 2.777 N/A ASN 159.A N LEU 155.A O no hydrogen 2.963 N/A ASN 159.A ND2 TRP 117.A O no hydrogen 3.049 N/A ILE 160.A N ALA 156.A O no hydrogen 2.953 N/A ALA 161.A N LEU 157.A O no hydrogen 2.928 N/A SER 162.A N LYS 158.A O no hydrogen 3.033 N/A SER 162.A OG ASN 159.A O no hydrogen 2.806 N/A MET 163.A N ILE 160.A O no hydrogen 3.100 N/A VAL 164.A N ALA 161.A O no hydrogen 3.121 N/A ARG 165.A N PHE 130.A O no hydrogen 2.809 N/A ARG 165.A NE ASP 131.A OD1 no hydrogen 2.798 N/A ARG 165.A NH1 PRO 166.A O no hydrogen 2.680 N/A GLY 167.A N LYS 284.A O no hydrogen 2.560 N/A GLY 168.A N ARG 165.A O no hydrogen 2.831 N/A LEU 169.A N ASP 131.A O no hydrogen 2.948 N/A LEU 170.A N LEU 282.A O no hydrogen 2.852 N/A VAL 171.A N VAL 133.A O no hydrogen 2.888 N/A ILE 172.A N HIS 280.A O no hydrogen 3.042 N/A ASP 173.A N CYS 135.A O no hydrogen 3.192 N/A HIS 174.A N PHE 278.A O no hydrogen 2.962 N/A HIS 174.A ND1 ARG 175.A O no hydrogen 2.756 N/A HIS 174.A NE2 HIS 280.A NE2 no hydrogen 2.969 N/A ARG 175.A N ASN 138.A OD1 no hydrogen 2.914 N/A ARG 175.A NH2 PRO 187.A O no hydrogen 2.614 N/A ASN 176.A N CYS 276.A O no hydrogen 3.038 N/A ASN 176.A ND2 PRO 275.A O no hydrogen 3.005 N/A TYR 179.A N ASN 176.A OD1 no hydrogen 2.851 N/A ILE 180.A N ASN 176.A O no hydrogen 3.386 N/A LEU 181.A N TYR 177.A O no hydrogen 2.752 N/A SER 182.A N ASP 178.A O no hydrogen 2.982 N/A SER 182.A OG.A ASP 178.A O no hydrogen 3.444 N/A SER 182.A OG.A TYR 179.A O no hydrogen 2.548 N/A THR 183.A N TYR 179.A O no hydrogen 3.023 N/A THR 183.A OG1 TYR 179.A O no hydrogen 3.385 N/A THR 183.A OG1 CYS 185.A O no hydrogen 3.187 N/A CYS 185.A N THR 183.A OG1 no hydrogen 3.210 N/A CYS 185.A SG THR 183.A O no hydrogen 3.743 N/A ALA 186.A N THR 204.A OG1 no hydrogen 2.937 N/A TYR 193.A N ASN 191.A OD1 no hydrogen 2.721 N/A TYR 193.A OH ASP 173.A OD2 no hydrogen 2.632 N/A TYR 194.A N ASN 191.A OD1 no hydrogen 2.975 N/A TYR 194.A OH ASP 70.A OD1 no hydrogen 2.765 N/A LYS 195.A N SER 39.A O no hydrogen 2.983 N/A ASP 197.A N ASP 36.A OD1 no hydrogen 2.809 N/A LEU 198.A N ASP 36.A OD2 no hydrogen 3.150 N/A LYS 200.A NZ LEU 198.A O no hydrogen 3.181 N/A ASP 201.A N THR 221.A O no hydrogen 2.987 N/A THR 203.A N ASP 219.A O no hydrogen 2.956 N/A SER 205.A N THR 217.A O no hydrogen 2.910 N/A LEU 207.A N MET 215.A O no hydrogen 2.842 N/A VAL 209.A N LYS 212.A O no hydrogen 2.827 N/A LYS 212.A N VAL 209.A O no hydrogen 2.891 N/A LYS 212.A NZ GLN 150.A OE1 no hydrogen 3.450 N/A HIS 214.A N LEU 207.A O no hydrogen 2.800 N/A MET 215.A N LEU 207.A O no hydrogen 3.378 N/A VAL 216.A N TYR 236.A O no hydrogen 2.840 N/A THR 217.A N SER 205.A O no hydrogen 2.770 N/A THR 217.A OG1 SER 235.A OG no hydrogen 2.853 N/A LEU 218.A N LEU 234.A O no hydrogen 2.802 N/A ASP 219.A N THR 203.A O no hydrogen 3.082 N/A TYR 220.A N PHE 232.A O no hydrogen 2.762 N/A TYR 220.A OH TYR 236.A OH no hydrogen 2.475 N/A THR 221.A N ASP 201.A O no hydrogen 2.808 N/A VAL 222.A N SER 230.A O no hydrogen 3.056 N/A VAL 224.A N GLY 228.A O no hydrogen 2.664 N/A GLY 228.A N VAL 224.A O no hydrogen 2.527 N/A SER 230.A N VAL 222.A O no hydrogen 2.986 N/A SER 230.A OG GLU 25.A OE2 no hydrogen 2.534 N/A PHE 232.A N TYR 220.A O no hydrogen 3.053 N/A ARG 233.A NE ASP 219.A OD1 no hydrogen 2.927 N/A ARG 233.A NH2 ASP 219.A OD1 no hydrogen 3.562 N/A ARG 233.A NH2 ASP 219.A OD2 no hydrogen 3.079 N/A LEU 234.A N LEU 218.A O no hydrogen 3.142 N/A SER 235.A OG THR 217.A OG1 no hydrogen 2.853 N/A TYR 236.A N VAL 216.A O no hydrogen 2.745 N/A TYR 236.A OH TYR 220.A OH no hydrogen 2.475 N/A TYR 237.A N ALA 141.A O no hydrogen 2.759 N/A HIS 239.A N TYR 237.A O no hydrogen 2.935 N/A CYS 240.A SG PRO 238.A O no hydrogen 3.961 N/A LEU 241.A N ASP 178.A OD1 no hydrogen 2.970 N/A PHE 244.A N CYS 240.A O no hydrogen 3.106 N/A THR 245.A N LEU 241.A O no hydrogen 2.922 N/A THR 245.A OG1 LEU 241.A O no hydrogen 2.895 N/A GLU 246.A N ALA 242.A O no hydrogen 3.100 N/A LEU 247.A N SER 243.A O no hydrogen 2.804 N/A VAL 248.A N PHE 244.A O no hydrogen 2.997 N/A GLN 249.A N THR 245.A O no hydrogen 3.424 N/A GLN 249.A NE2 THR 245.A O no hydrogen 3.259 N/A GLU 250.A N GLU 246.A O no hydrogen 3.059 N/A ALA 251.A N LEU 247.A O no hydrogen 3.033 N/A PHE 252.A N GLN 249.A O no hydrogen 2.847 N/A GLY 253.A N GLU 250.A O no hydrogen 2.726 N/A GLY 254.A N GLN 249.A O no hydrogen 3.106 N/A ARG 255.A N PHE 252.A O no hydrogen 3.159 N/A GLN 257.A N LYS 283.A O no hydrogen 2.993 N/A HIS 258.A NE2 HIS 280.A ND1 no hydrogen 2.748 N/A SER 259.A N VAL 281.A O no hydrogen 3.049 N/A LEU 261.A N ILE 279.A O no hydrogen 2.879 N/A GLY 262.A N LYS 265.A O no hydrogen 2.635 N/A ASP 263.A N TYR 277.A O no hydrogen 3.047 N/A LYS 265.A N GLY 262.A O no hydrogen 3.191 N/A TYR 267.A N VAL 260.A O no hydrogen 3.262 N/A ARG 268.A N GLN 271.A OE1 no hydrogen 2.775 N/A GLN 271.A N ARG 268.A O no hydrogen 2.990 N/A GLN 271.A NE2 TYR 273.A O no hydrogen 2.798 N/A TYR 273.A OH ASP 263.A OD2 no hydrogen 2.785 N/A CYS 276.A N ASP 263.A OD2 no hydrogen 3.026 N/A CYS 276.A SG ASP 263.A OD2 no hydrogen 3.824 N/A TYR 277.A N ASP 263.A OD1 no hydrogen 2.864 N/A PHE 278.A N HIS 174.A O no hydrogen 2.863 N/A ILE 279.A N LEU 261.A O no hydrogen 2.999 N/A HIS 280.A N ILE 172.A O no hydrogen 2.813 N/A HIS 280.A ND1 HIS 258.A NE2 no hydrogen 2.748 N/A HIS 280.A NE2 HIS 174.A NE2 no hydrogen 2.969 N/A VAL 281.A N SER 259.A O no hydrogen 2.955 N/A LEU 282.A N LEU 170.A O no hydrogen 2.879 N/A LYS 283.A N GLN 257.A O no hydrogen 2.868 N/A LYS 284.A N GLY 168.A O no hydrogen 2.824 N/A LYS 284.A NZ ALA 161.A O no hydrogen 3.183 N/A LYS 284.A NZ VAL 164.A O no hydrogen 2.716 N/A THR 285.A N ARG 255.A O no hydrogen 3.234 N/A