Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4br1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ASP 207.A OD1 no hydrogen 2.862 N/A ARG 1.A NH1 GLN 182.A O no hydrogen 2.855 N/A ARG 1.A NH2 PRO 204.A O no hydrogen 3.142 N/A ARG 1.A NH2 ASP 207.A OD1 no hydrogen 3.551 N/A LYS 2.A NZ ALA 32.A O no hydrogen 3.458 N/A PHE 4.A N ASP 207.A O no hydrogen 3.014 N/A VAL 5.A N GLU 35.A O no hydrogen 2.839 N/A GLY 6.A N PHE 209.A O no hydrogen 2.760 N/A GLY 7.A N VAL 37.A O no hydrogen 2.681 N/A ASN 8.A N VAL 211.A O no hydrogen 2.805 N/A TRP 9.A N ALA 39.A O no hydrogen 3.086 N/A LYS 10.A N ASN 8.A OD1 no hydrogen 2.970 N/A LYS 10.A NZ GLU 94.A OE2 no hydrogen 2.760 N/A ASN 12.A ND2 TRP 9.A O no hydrogen 2.854 N/A ARG 14.A N SER 17.A OG no hydrogen 3.079 N/A ARG 14.A NH1 GLY 13.A O no hydrogen 2.841 N/A SER 17.A OG ARG 14.A O no hydrogen 3.376 N/A LEU 18.A N ARG 14.A O no hydrogen 2.829 N/A GLY 19.A N LYS 15.A O no hydrogen 2.770 N/A GLU 20.A N GLN 16.A O no hydrogen 3.157 N/A LEU 21.A N SER 17.A O no hydrogen 3.066 N/A ILE 22.A N LEU 18.A O no hydrogen 2.870 N/A GLY 23.A N GLY 19.A O no hydrogen 2.893 N/A THR 24.A N GLU 20.A O no hydrogen 3.028 N/A THR 24.A OG1 GLU 20.A O no hydrogen 3.295 N/A LEU 25.A N LEU 21.A O no hydrogen 3.138 N/A ASN 26.A N ILE 22.A O no hydrogen 2.796 N/A ASN 26.A ND2 LYS 51.A O no hydrogen 2.850 N/A ALA 27.A N GLY 23.A O no hydrogen 3.068 N/A ALA 27.A N THR 24.A O no hydrogen 3.256 N/A ALA 28.A N LEU 25.A O no hydrogen 3.353 N/A ASP 33.A N ASP 33.A OD1 no hydrogen 2.362 N/A THR 34.A N PRO 31.A O no hydrogen 3.022 N/A GLU 35.A N PHE 3.A O no hydrogen 2.859 N/A VAL 37.A N VAL 5.A O no hydrogen 2.972 N/A CYS 38.A N ALA 57.A O no hydrogen 2.871 N/A ALA 39.A N GLY 7.A O no hydrogen 2.768 N/A TYR 44.A N PRO 41.A O no hydrogen 2.782 N/A ILE 45.A N THR 42.A O no hydrogen 3.428 N/A ALA 48.A N TYR 44.A O no hydrogen 2.804 N/A ARG 49.A N ILE 45.A O no hydrogen 3.037 N/A ARG 49.A NE ARG 49.A O no hydrogen 2.797 N/A ARG 49.A NH1 ILE 56.A O no hydrogen 2.823 N/A ARG 49.A NH2 LEU 52.A O no hydrogen 2.783 N/A ARG 49.A NH2 ASP 53.A O no hydrogen 2.995 N/A ARG 49.A NH2 ILE 56.A O no hydrogen 3.154 N/A GLN 50.A N ASP 46.A O no hydrogen 3.063 N/A GLN 50.A NE2 ASP 46.A OD1 no hydrogen 3.053 N/A LYS 51.A N PHE 47.A O no hydrogen 3.131 N/A LEU 52.A N ALA 48.A O no hydrogen 2.894 N/A ASP 53.A N ASN 26.A OD1 no hydrogen 2.852 N/A LYS 55.A NZ LEU 25.A O no hydrogen 3.067 N/A LYS 55.A NZ ASN 26.A O no hydrogen 3.235 N/A ILE 56.A N ASP 53.A O no hydrogen 3.091 N/A ALA 57.A N VAL 36.A O no hydrogen 2.952 N/A ALA 59.A N CYS 38.A O no hydrogen 2.744 N/A ALA 60.A N TRP 87.A O no hydrogen 3.003 N/A GLN 61.A NE2 LYS 10.A O no hydrogen 2.950 N/A GLN 61.A NE2 ALA 39.A O no hydrogen 2.854 N/A ASN 62.A ND2 GLU 101.A OE2 no hydrogen 3.453 N/A CYS 63.A SG TYR 64.A O no hydrogen 3.515 N/A TYR 64.A N ILE 75.A O no hydrogen 2.789 N/A LYS 65.A NZ GLN 108.A OE1 no hydrogen 2.752 N/A GLU 74.A N PHE 71.A O no hydrogen 3.043 N/A SER 76.A OG THR 67.A O no hydrogen 2.862 N/A MET 79.A N SER 76.A O no hydrogen 2.963 N/A ILE 80.A N SER 76.A O no hydrogen 3.098 N/A LYS 81.A N PRO 77.A O no hydrogen 2.913 N/A LYS 81.A NZ GLU 116.A O no hydrogen 2.760 N/A ASP 82.A N GLY 78.A O no hydrogen 2.944 N/A CYS 83.A N MET 79.A O no hydrogen 2.979 N/A CYS 83.A N ILE 80.A O no hydrogen 3.226 N/A CYS 83.A SG MET 79.A O no hydrogen 3.421 N/A GLY 84.A N LYS 81.A O no hydrogen 2.944 N/A ALA 85.A N ILE 80.A O no hydrogen 3.174 N/A THR 86.A N VAL 58.A O no hydrogen 3.048 N/A VAL 88.A N GLY 119.A O no hydrogen 2.922 N/A VAL 89.A N ALA 60.A O no hydrogen 2.931 N/A LEU 90.A N ILE 121.A O no hydrogen 2.910 N/A SER 93.A N GLU 152.A OE2 no hydrogen 2.663 N/A SER 93.A OG GLU 152.A OE1 no hydrogen 2.732 N/A GLU 94.A N HIS 92.A ND1 no hydrogen 3.055 N/A ARG 95.A NE GLU 101.A OE2 no hydrogen 3.005 N/A ARG 95.A NH2 GLU 101.A OE2 no hydrogen 3.492 N/A ARG 96.A N HIS 92.A O no hydrogen 3.059 N/A ARG 96.A NE GLY 91.A O no hydrogen 2.804 N/A ARG 96.A NH1 ASP 103.A OD2 no hydrogen 3.275 N/A ARG 96.A NH2 CYS 123.A O no hydrogen 2.921 N/A HIS 97.A N SER 93.A O no hydrogen 2.800 N/A VAL 98.A N GLU 94.A O no hydrogen 2.921 N/A PHE 99.A N GLU 94.A O no hydrogen 3.369 N/A GLU 101.A N ARG 95.A O no hydrogen 3.008 N/A LEU 105.A N SER 102.A OG no hydrogen 3.087 N/A ILE 106.A N SER 102.A O no hydrogen 3.030 N/A GLY 107.A N ASP 103.A O no hydrogen 2.829 N/A GLN 108.A N GLU 104.A O no hydrogen 3.028 N/A LYS 109.A N LEU 105.A O no hydrogen 2.922 N/A LYS 109.A NZ ASN 62.A OD1 no hydrogen 3.039 N/A LYS 109.A NZ CYS 63.A O no hydrogen 3.158 N/A LYS 109.A NZ GLU 101.A OE1 no hydrogen 2.939 N/A LYS 109.A NZ GLU 101.A OE2 no hydrogen 2.949 N/A VAL 110.A N ILE 106.A O no hydrogen 2.879 N/A ALA 111.A N GLY 107.A O no hydrogen 3.020 N/A HIS 112.A N GLN 108.A O no hydrogen 3.033 N/A ALA 113.A N LYS 109.A O no hydrogen 2.914 N/A LEU 114.A N VAL 110.A O no hydrogen 3.029 N/A ALA 115.A N ALA 111.A O no hydrogen 3.008 N/A GLU 116.A N HIS 112.A O no hydrogen 3.031 N/A GLU 116.A N ALA 113.A O no hydrogen 3.210 N/A GLY 117.A N LEU 114.A O no hydrogen 3.065 N/A LEU 118.A N ALA 113.A O no hydrogen 3.080 N/A GLY 119.A N THR 86.A O no hydrogen 2.839 N/A VAL 120.A N LYS 146.A O no hydrogen 2.870 N/A ILE 121.A N VAL 88.A O no hydrogen 2.884 N/A ALA 122.A N VAL 148.A O no hydrogen 2.823 N/A CYS 123.A N LEU 90.A O no hydrogen 2.883 N/A CYS 123.A SG LEU 90.A O no hydrogen 3.922 N/A CYS 123.A SG ILE 121.A O no hydrogen 4.047 N/A ILE 124.A N ALA 150.A O no hydrogen 2.940 N/A GLY 125.A N GLN 133.A OE1 no hydrogen 2.743 N/A GLU 132.A N LYS 128.A O no hydrogen 2.907 N/A GLN 133.A N VAL 129.A O no hydrogen 2.842 N/A GLN 133.A NE2 GLY 125.A O no hydrogen 3.291 N/A THR 134.A N VAL 130.A O no hydrogen 3.001 N/A THR 134.A OG1 VAL 130.A O no hydrogen 2.761 N/A LYS 135.A N PHE 131.A O no hydrogen 2.918 N/A LYS 135.A NZ ASP 139.A OD2 no hydrogen 2.822 N/A VAL 136.A N GLU 132.A O no hydrogen 3.106 N/A ILE 137.A N GLN 133.A O no hydrogen 3.142 N/A ALA 138.A N THR 134.A O no hydrogen 2.777 N/A ASP 139.A N LYS 135.A O no hydrogen 2.794 N/A ASN 140.A N ILE 137.A O no hydrogen 2.834 N/A ASN 140.A ND2 VAL 136.A O no hydrogen 2.780 N/A VAL 141.A N ALA 138.A O no hydrogen 3.205 N/A SER 145.A N ASP 143.A OD1 no hydrogen 2.990 N/A SER 145.A OG ASP 143.A OD1 no hydrogen 2.645 N/A SER 145.A OG ASP 143.A OD2 no hydrogen 3.564 N/A LYS 146.A NZ GLY 117.A O no hydrogen 2.932 N/A VAL 147.A N TRP 144.A O no hydrogen 3.130 N/A VAL 148.A N VAL 120.A O no hydrogen 2.920 N/A LEU 149.A N ARG 185.A O no hydrogen 3.051 N/A ALA 150.A N ALA 122.A O no hydrogen 2.935 N/A TYR 151.A N ILE 187.A O no hydrogen 2.862 N/A TYR 151.A OH GLU 126.A OE1 no hydrogen 3.217 N/A TYR 151.A OH GLU 126.A OE2 no hydrogen 2.371 N/A GLU 152.A N ILE 124.A O no hydrogen 2.738 N/A TRP 155.A NE1 GLU 126.A OE2 no hydrogen 2.850 N/A ALA 156.A N PRO 153.A O no hydrogen 2.679 N/A THR 157.A N GLN 160.A OE1 no hydrogen 2.948 N/A GLN 160.A N THR 157.A OG1 no hydrogen 3.097 N/A ALA 161.A N THR 157.A O no hydrogen 3.013 N/A GLN 162.A N PRO 158.A O no hydrogen 2.829 N/A GLN 162.A NE2 ASP 205.A OD2 no hydrogen 2.625 N/A GLU 163.A N GLN 159.A O no hydrogen 3.042 N/A VAL 164.A N GLN 160.A O no hydrogen 3.281 N/A HIS 165.A N ALA 161.A O no hydrogen 2.913 N/A HIS 165.A ND1 ASP 205.A O no hydrogen 3.101 N/A GLU 166.A N GLN 162.A O no hydrogen 2.902 N/A LYS 167.A N GLU 163.A O no hydrogen 3.165 N/A LEU 168.A N VAL 164.A O no hydrogen 2.799 N/A ARG 169.A N HIS 165.A O no hydrogen 2.914 N/A ARG 169.A NE ASP 205.A OD1 no hydrogen 2.839 N/A ARG 169.A NH1 ALA 181.A O no hydrogen 2.845 N/A ARG 169.A NH1 THR 184.A O no hydrogen 2.887 N/A ARG 169.A NH2 ASP 205.A O no hydrogen 3.091 N/A ARG 169.A NH2 ASP 207.A OD2 no hydrogen 2.770 N/A GLY 170.A N GLU 166.A O no hydrogen 3.016 N/A TRP 171.A N LYS 167.A O no hydrogen 2.887 N/A LEU 172.A N LEU 168.A O no hydrogen 3.048 N/A LYS 173.A N ARG 169.A O no hydrogen 2.929 N/A SER 174.A N GLY 170.A O no hydrogen 3.030 N/A ASN 175.A N TRP 171.A O no hydrogen 2.840 N/A ASN 175.A ND2 TRP 171.A O no hydrogen 2.955 N/A VAL 176.A N LEU 172.A O no hydrogen 2.783 N/A SER 177.A N LEU 172.A O no hydrogen 2.992 N/A VAL 180.A N SER 177.A OG no hydrogen 3.030 N/A ALA 181.A N SER 177.A O no hydrogen 3.079 N/A GLN 182.A N ASP 178.A O no hydrogen 2.934 N/A SER 183.A N ALA 179.A O no hydrogen 3.060 N/A SER 183.A OG ALA 179.A O no hydrogen 2.793 N/A SER 183.A OG VAL 180.A O no hydrogen 3.558 N/A THR 184.A N VAL 180.A O no hydrogen 2.920 N/A THR 184.A OG1 VAL 180.A O no hydrogen 2.536 N/A ARG 185.A NH1 LYS 2.A O no hydrogen 2.868 N/A ARG 185.A NH1 GLU 35.A OE1 no hydrogen 3.080 N/A ARG 185.A NH2 GLU 35.A OE1 no hydrogen 2.989 N/A ILE 186.A N ASP 207.A OD2 no hydrogen 2.773 N/A ILE 187.A N LEU 149.A O no hydrogen 2.708 N/A TYR 188.A N GLY 208.A O no hydrogen 2.895 N/A GLY 189.A N TYR 151.A O no hydrogen 2.659 N/A THR 193.A N THR 196.A OG1 no hydrogen 3.038 N/A THR 193.A OG1 THR 196.A OG1 no hydrogen 3.235 N/A GLY 194.A N GLU 219.A OE2 no hydrogen 2.869 N/A THR 196.A N THR 193.A O no hydrogen 3.069 N/A THR 196.A N THR 193.A OG1 no hydrogen 3.160 N/A THR 196.A OG1 THR 193.A O no hydrogen 3.399 N/A THR 196.A OG1 THR 193.A OG1 no hydrogen 3.235 N/A CYS 197.A N THR 193.A O no hydrogen 2.973 N/A CYS 197.A SG GLY 194.A O no hydrogen 3.328 N/A CYS 197.A SG ASP 222.A O no hydrogen 3.887 N/A LYS 198.A NZ ASN 225.A O no hydrogen 3.273 N/A ALA 201.A N CYS 197.A O no hydrogen 2.865 N/A SER 202.A N LYS 198.A O no hydrogen 3.190 N/A SER 202.A OG GLU 199.A O no hydrogen 2.543 N/A GLN 203.A N LEU 200.A O no hydrogen 3.033 N/A GLN 203.A NE2 GLU 199.A O no hydrogen 3.322 N/A ASP 205.A N GLN 162.A OE1 no hydrogen 2.922 N/A VAL 206.A N GLN 203.A O no hydrogen 3.159 N/A ASP 207.A N ILE 186.A O no hydrogen 3.012 N/A PHE 209.A N PHE 4.A O no hydrogen 2.946 N/A LEU 210.A N TYR 188.A O no hydrogen 2.993 N/A VAL 211.A N GLY 6.A O no hydrogen 2.732 N/A SER 215.A N GLY 212.A O no hydrogen 2.830 N/A SER 215.A OG ASN 8.A O no hydrogen 3.150 N/A SER 215.A OG GLY 212.A O no hydrogen 2.523 N/A LEU 216.A N GLY 213.A O no hydrogen 3.127 N/A LYS 217.A N ALA 214.A O no hydrogen 3.050 N/A PHE 220.A N LYS 217.A O no hydrogen 3.032 N/A VAL 221.A N PRO 218.A O no hydrogen 3.013 N/A ILE 223.A N GLU 219.A O no hydrogen 3.201 N/A ILE 224.A N PHE 220.A O no hydrogen 2.946 N/A ASN 225.A N VAL 221.A O no hydrogen 3.168 N/A ALA 226.A N ILE 223.A O no hydrogen 3.162 N/A GLN 228.A N ASN 225.A O no hydrogen 3.113 N/A