Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xxj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NE GLU 6.A OE2 no hydrogen 2.725 N/A GLU 6.A N GLU 6.A OE1 no hydrogen 2.768 N/A TRP 7.A N ARG 4.A O no hydrogen 2.974 N/A TRP 9.A N GLU 6.A O no hydrogen 3.065 N/A LEU 10.A N GLU 6.A O no hydrogen 3.207 N/A ALA 11.A N TRP 7.A O no hydrogen 2.772 N/A LEU 12.A N ILE 8.A O no hydrogen 2.913 N/A GLY 13.A N TRP 9.A O no hydrogen 2.868 N/A THR 14.A N LEU 10.A O no hydrogen 2.991 N/A THR 14.A OG1 LEU 10.A O no hydrogen 2.675 N/A ALA 15.A N ALA 11.A O no hydrogen 3.074 N/A LEU 16.A N LEU 12.A O no hydrogen 2.924 N/A MET 17.A N GLY 13.A O no hydrogen 2.881 N/A GLY 18.A N THR 14.A O no hydrogen 2.878 N/A LEU 19.A N ALA 15.A O no hydrogen 2.893 N/A GLY 20.A N LEU 16.A O no hydrogen 2.957 N/A THR 21.A N MET 17.A O no hydrogen 2.921 N/A THR 21.A OG1 MET 17.A O no hydrogen 2.619 N/A LEU 22.A N GLY 18.A O no hydrogen 2.985 N/A TYR 23.A N LEU 19.A O no hydrogen 2.890 N/A PHE 24.A N GLY 20.A O no hydrogen 2.965 N/A LEU 25.A N THR 21.A O no hydrogen 2.883 N/A VAL 26.A N LEU 22.A O no hydrogen 2.955 N/A LYS 27.A N TYR 23.A O no hydrogen 2.858 N/A LYS 27.A NZ TYR 40.A OH no hydrogen 2.896 N/A LYS 27.A NZ LEU 220.A O no hydrogen 2.671 N/A GLY 28.A N PHE 24.A O no hydrogen 2.970 N/A MET 29.A N VAL 26.A O no hydrogen 3.195 N/A VAL 31.A N GLY 28.A O no hydrogen 3.117 N/A ALA 36.A N ASP 33.A OD2 no hydrogen 3.090 N/A LYS 37.A N ASP 33.A O no hydrogen 2.867 N/A LYS 38.A N PRO 34.A O no hydrogen 3.288 N/A PHE 39.A N ASP 35.A O no hydrogen 3.237 N/A TYR 40.A N ALA 36.A O no hydrogen 2.884 N/A ALA 41.A N LYS 37.A O no hydrogen 2.942 N/A ILE 42.A N LYS 38.A O no hydrogen 2.982 N/A THR 43.A N PHE 39.A O no hydrogen 2.966 N/A THR 43.A OG1 PHE 39.A O no hydrogen 2.541 N/A THR 43.A OG1 ASP 93.A OD1 no hydrogen 3.377 N/A THR 43.A OG1 ASP 93.A OD2 no hydrogen 2.778 N/A THR 44.A N TYR 40.A O no hydrogen 2.910 N/A THR 44.A OG1 TYR 40.A O no hydrogen 2.623 N/A LEU 45.A N ALA 41.A O no hydrogen 3.118 N/A VAL 46.A N ILE 42.A O no hydrogen 3.254 N/A ALA 48.A N THR 44.A O no hydrogen 3.327 N/A ILE 49.A N LEU 45.A O no hydrogen 2.906 N/A ALA 50.A N VAL 46.A O no hydrogen 2.989 N/A PHE 51.A N PRO 47.A O no hydrogen 2.744 N/A THR 52.A N ALA 48.A O no hydrogen 3.258 N/A THR 52.A OG1 ILE 49.A O no hydrogen 2.618 N/A MET 53.A N ILE 49.A O no hydrogen 3.138 N/A TYR 54.A N ALA 50.A O no hydrogen 2.840 N/A TYR 54.A OH ASP 209.A OD2 no hydrogen 2.563 N/A LEU 55.A N PHE 51.A O no hydrogen 2.990 N/A SER 56.A N THR 52.A O no hydrogen 3.016 N/A MET 57.A N MET 53.A O no hydrogen 3.009 N/A LEU 58.A N TYR 54.A O no hydrogen 2.866 N/A LEU 59.A N LEU 55.A O no hydrogen 2.859 N/A GLY 60.A N MET 57.A O no hydrogen 3.080 N/A GLY 62.A N SER 56.A O no hydrogen 3.145 N/A LEU 63.A N GLY 60.A O no hydrogen 3.413 N/A THR 64.A N ILE 75.A O no hydrogen 2.838 N/A VAL 66.A N ASN 73.A O no hydrogen 2.886 N/A PHE 68.A N GLU 71.A O no hydrogen 3.017 N/A GLU 71.A N PHE 68.A O no hydrogen 3.087 N/A ASN 73.A N VAL 66.A O no hydrogen 2.877 N/A ASN 73.A ND2 VAL 66.A O no hydrogen 3.006 N/A ASN 73.A ND2 PHE 68.A O no hydrogen 3.019 N/A ILE 75.A N THR 64.A O no hydrogen 2.781 N/A TYR 76.A OH GLU 6.A OE2 no hydrogen 2.615 N/A ALA 78.A N GLY 62.A O no hydrogen 3.278 N/A TYR 80.A N TRP 77.A O no hydrogen 3.067 N/A ASP 82.A N ALA 78.A O no hydrogen 2.947 N/A TRP 83.A N ARG 79.A O no hydrogen 2.775 N/A LEU 84.A N TYR 80.A O no hydrogen 2.836 N/A PHE 85.A N ASP 82.A O no hydrogen 3.070 N/A THR 86.A N ASP 82.A O no hydrogen 2.982 N/A THR 86.A OG1 ASP 82.A O no hydrogen 3.108 N/A THR 86.A OG1 ASP 82.A OD1 no hydrogen 2.780 N/A THR 87.A N TRP 83.A O no hydrogen 3.027 N/A THR 87.A OG1 TRP 83.A O no hydrogen 2.483 N/A THR 87.A OG1 ASP 112.A OD1 no hydrogen 2.521 N/A THR 87.A OG1 ASP 112.A OD2 no hydrogen 3.211 N/A LEU 89.A N PHE 85.A O no hydrogen 3.386 N/A LEU 90.A N THR 86.A O no hydrogen 2.945 N/A LEU 91.A N THR 87.A O no hydrogen 2.944 N/A LEU 92.A N PRO 88.A O no hydrogen 2.840 N/A ASP 93.A N LEU 89.A O no hydrogen 3.024 N/A LEU 94.A N LEU 90.A O no hydrogen 3.277 N/A ALA 95.A N LEU 91.A O no hydrogen 2.901 N/A LEU 96.A N LEU 92.A O no hydrogen 2.899 N/A LEU 97.A N ASP 93.A O no hydrogen 3.106 N/A VAL 98.A N LEU 94.A O no hydrogen 3.262 N/A ASP 99.A N LEU 96.A O no hydrogen 3.185 N/A ALA 100.A N ALA 95.A O no hydrogen 2.835 N/A ILE 105.A N ASP 101.A O no hydrogen 3.198 N/A LEU 106.A N GLN 102.A O no hydrogen 2.969 N/A ALA 107.A N GLY 103.A O no hydrogen 3.063 N/A LEU 108.A N THR 104.A O no hydrogen 2.948 N/A VAL 109.A N ILE 105.A O no hydrogen 2.889 N/A GLY 110.A N LEU 106.A O no hydrogen 2.810 N/A ALA 111.A N ALA 107.A O no hydrogen 2.914 N/A ASP 112.A N LEU 108.A O no hydrogen 2.880 N/A GLY 113.A N VAL 109.A O no hydrogen 2.904 N/A ILE 114.A N GLY 110.A O no hydrogen 3.065 N/A MET 115.A N ALA 111.A O no hydrogen 2.888 N/A ILE 116.A N ASP 112.A O no hydrogen 2.917 N/A GLY 117.A N GLY 113.A O no hydrogen 2.853 N/A THR 118.A N ILE 114.A O no hydrogen 2.862 N/A THR 118.A OG1 ILE 114.A O no hydrogen 2.687 N/A THR 118.A OG1 MET 115.A O no hydrogen 3.338 N/A GLY 119.A N MET 115.A O no hydrogen 3.069 N/A LEU 120.A N ILE 116.A O no hydrogen 2.886 N/A VAL 121.A N GLY 117.A O no hydrogen 3.015 N/A GLY 122.A N THR 118.A O no hydrogen 2.867 N/A ALA 123.A N GLY 119.A O no hydrogen 2.842 N/A LEU 124.A N LEU 120.A O no hydrogen 3.066 N/A LEU 124.A N VAL 121.A O no hydrogen 3.240 N/A THR 125.A N GLY 122.A O no hydrogen 3.314 N/A THR 125.A OG1 VAL 121.A O no hydrogen 2.654 N/A ARG 131.A N TYR 128.A O no hydrogen 3.186 N/A ARG 131.A NE GLU 191.A O no hydrogen 2.866 N/A ARG 131.A NH1 ALA 123.A O no hydrogen 2.860 N/A ARG 131.A NH1 THR 125.A O no hydrogen 2.643 N/A ARG 131.A NH2 ALA 123.A O no hydrogen 2.885 N/A ARG 131.A NH2 GLU 191.A O no hydrogen 2.855 N/A PHE 132.A N SER 129.A O no hydrogen 3.281 N/A TRP 134.A N TYR 130.A O no hydrogen 3.216 N/A TRP 135.A N ARG 131.A O no hydrogen 3.062 N/A TRP 135.A NE1 PRO 183.A O no hydrogen 2.939 N/A ALA 136.A N PHE 132.A O no hydrogen 2.908 N/A ILE 137.A N VAL 133.A O no hydrogen 3.045 N/A SER 138.A N TRP 134.A O no hydrogen 2.915 N/A SER 138.A OG MET 115.A O no hydrogen 2.708 N/A THR 139.A N TRP 135.A O no hydrogen 2.870 N/A THR 139.A OG1 TRP 135.A O no hydrogen 2.892 N/A ALA 140.A N ALA 136.A O no hydrogen 2.917 N/A ALA 141.A N ILE 137.A O no hydrogen 3.021 N/A MET 142.A N SER 138.A O no hydrogen 2.924 N/A LEU 143.A N THR 139.A O no hydrogen 2.857 N/A TYR 144.A N ALA 140.A O no hydrogen 2.922 N/A ILE 145.A N ALA 141.A O no hydrogen 3.010 N/A LEU 146.A N MET 142.A O no hydrogen 2.890 N/A TYR 147.A N LEU 143.A O no hydrogen 2.896 N/A VAL 148.A N TYR 144.A O no hydrogen 3.031 N/A LEU 149.A N ILE 145.A O no hydrogen 2.944 N/A PHE 150.A N LEU 146.A O no hydrogen 3.107 N/A PHE 151.A N TYR 147.A O no hydrogen 2.694 N/A PHE 153.A N VAL 148.A O no hydrogen 3.307 N/A THR 154.A OG1 LEU 149.A O no hydrogen 3.300 N/A ALA 157.A N PHE 153.A O no hydrogen 2.633 N/A GLU 158.A N THR 154.A O no hydrogen 3.397 N/A MET 160.A N ALA 157.A O no hydrogen 2.960 N/A ARG 161.A NH1 PHE 226.A O no hydrogen 3.030 N/A ARG 161.A NH2 GLU 163.A OE2 no hydrogen 3.532 N/A ARG 161.A NH2 PHE 226.A O no hydrogen 3.011 N/A ALA 165.A N ARG 161.A O no hydrogen 3.023 N/A SER 166.A N PRO 162.A O no hydrogen 3.016 N/A THR 167.A N GLU 163.A O no hydrogen 2.926 N/A THR 167.A OG1 GLU 163.A O no hydrogen 3.137 N/A THR 167.A OG1 SER 222.A OG no hydrogen 2.600 N/A PHE 168.A N VAL 164.A O no hydrogen 2.825 N/A LYS 169.A N ALA 165.A O no hydrogen 3.143 N/A VAL 170.A N SER 166.A O no hydrogen 3.277 N/A LEU 171.A N THR 167.A O no hydrogen 2.997 N/A ARG 172.A N PHE 168.A O no hydrogen 2.671 N/A ARG 172.A NE THR 154.A OG1 no hydrogen 2.266 N/A ARG 172.A NH1 ASN 173.A OD1 no hydrogen 2.663 N/A ASN 173.A N LYS 169.A O no hydrogen 3.037 N/A VAL 174.A N VAL 170.A O no hydrogen 2.806 N/A THR 175.A N LEU 171.A O no hydrogen 2.896 N/A THR 175.A OG1 LEU 171.A O no hydrogen 2.776 N/A VAL 176.A N ARG 172.A O no hydrogen 2.895 N/A VAL 177.A N ASN 173.A O no hydrogen 3.085 N/A LEU 178.A N VAL 174.A O no hydrogen 2.982 N/A TRP 179.A N THR 175.A O no hydrogen 2.835 N/A SER 180.A N VAL 176.A O no hydrogen 3.273 N/A SER 180.A OG VAL 176.A O no hydrogen 2.658 N/A ALA 181.A N LEU 178.A O no hydrogen 3.054 N/A TYR 182.A N TRP 179.A O no hydrogen 3.152 N/A TYR 182.A OH ASP 209.A OD1 no hydrogen 2.599 N/A VAL 185.A N ALA 181.A O no hydrogen 2.996 N/A TRP 186.A N TYR 182.A O no hydrogen 2.977 N/A TRP 186.A NE1 TYR 80.A OH no hydrogen 2.755 N/A LEU 187.A N PRO 183.A O no hydrogen 3.004 N/A ILE 188.A N VAL 184.A O no hydrogen 3.070 N/A GLY 189.A N TRP 186.A O no hydrogen 3.362 N/A SER 190.A N GLU 201.A OE1 no hydrogen 2.957 N/A SER 190.A OG GLU 191.A OE2 no hydrogen 3.355 N/A SER 190.A OG GLU 201.A OE1 no hydrogen 2.696 N/A GLU 191.A N GLU 191.A OE2 no hydrogen 2.701 N/A GLY 192.A N GLY 189.A O no hydrogen 3.072 N/A ALA 193.A N LEU 187.A O no hydrogen 2.728 N/A GLY 194.A N GLY 189.A O no hydrogen 2.820 N/A ILE 195.A N ILE 188.A O no hydrogen 2.802 N/A VAL 196.A N ILE 188.A O no hydrogen 2.870 N/A GLU 201.A N PRO 197.A O no hydrogen 3.024 N/A THR 202.A N LEU 198.A O no hydrogen 2.881 N/A THR 202.A OG1 LEU 198.A O no hydrogen 2.743 N/A LEU 203.A N ASN 199.A O no hydrogen 3.119 N/A LEU 204.A N ILE 200.A O no hydrogen 2.887 N/A PHE 205.A N GLU 201.A O no hydrogen 2.920 N/A MET 206.A N THR 202.A O no hydrogen 2.976 N/A VAL 207.A N LEU 203.A O no hydrogen 2.954 N/A LEU 208.A N LEU 204.A O no hydrogen 2.972 N/A ASP 209.A N PHE 205.A O no hydrogen 2.722 N/A VAL 210.A N MET 206.A O no hydrogen 2.879 N/A SER 211.A N VAL 207.A O no hydrogen 3.037 N/A SER 211.A OG VAL 207.A O no hydrogen 2.802 N/A ALA 212.A N LEU 208.A O no hydrogen 2.807 N/A GLY 214.A N VAL 210.A O no hydrogen 3.090 N/A PHE 215.A N SER 211.A O no hydrogen 2.977 N/A LEU 217.A N VAL 213.A O no hydrogen 2.832 N/A ILE 218.A N GLY 214.A O no hydrogen 3.060 N/A LEU 219.A N PHE 215.A O no hydrogen 2.980 N/A LEU 220.A N GLY 216.A O no hydrogen 2.853 N/A ARG 221.A N LEU 217.A O no hydrogen 3.245 N/A SER 222.A N LEU 219.A O no hydrogen 3.222 N/A SER 222.A OG THR 167.A OG1 no hydrogen 2.600 N/A ALA 224.A N SER 222.A OG no hydrogen 2.862 N/A PHE 226.A N ARG 223.A O no hydrogen 3.123 N/A GLY 227.A N ASP 33.A OD2 no hydrogen 3.046 N/A