Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dat_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N MET 1.A O no hydrogen 3.071 N/A ARG 6.A NH1 GLU 43.A OE1 no hydrogen 3.470 N/A ARG 6.A NH1 GLU 43.A OE2 no hydrogen 2.894 N/A ARG 6.A NH2 GLU 43.A OE1 no hydrogen 2.804 N/A LEU 9.A N GLU 5.A O no hydrogen 2.976 N/A ILE 10.A N.A ARG 6.A O no hydrogen 3.034 N/A ILE 10.A N.B ARG 6.A O no hydrogen 3.080 N/A GLN 11.A N ALA 7.A O no hydrogen 2.962 N/A LYS 12.A N SER 8.A O no hydrogen 2.918 N/A ALA 13.A N LEU 9.A O no hydrogen 2.793 N/A LYS 14.A N ILE 10.A O.A no hydrogen 3.110 N/A LYS 14.A N ILE 10.A O.B no hydrogen 3.063 N/A LYS 14.A NZ GLU 42.A OE2 no hydrogen 3.312 N/A LEU 15.A N GLN 11.A O no hydrogen 3.057 N/A ALA 16.A N LYS 12.A O no hydrogen 2.863 N/A GLU 17.A N ALA 13.A O no hydrogen 2.963 N/A GLN 18.A N LYS 14.A O no hydrogen 3.162 N/A ALA 19.A N LEU 15.A O no hydrogen 2.979 N/A GLU 20.A N GLU 17.A O no hydrogen 2.965 N/A ARG 21.A N ALA 16.A O no hydrogen 2.846 N/A ARG 21.A NE ASP 24.A OD2 no hydrogen 2.894 N/A ARG 21.A NH2 ASP 24.A OD2 no hydrogen 2.845 N/A MET 25.A N ARG 21.A O no hydrogen 2.956 N/A ALA 26.A N TYR 22.A O no hydrogen 2.889 N/A ALA 27.A N GLU 23.A O.A no hydrogen 2.984 N/A ALA 27.A N GLU 23.A O.B no hydrogen 3.007 N/A PHE 28.A N ASP 24.A O no hydrogen 2.898 N/A MET 29.A N MET 25.A O no hydrogen 2.947 N/A LYS 30.A N ALA 26.A O no hydrogen 2.859 N/A LYS 30.A NZ GLU 34.A OE2 no hydrogen 2.768 N/A GLY 31.A N ALA 27.A O no hydrogen 3.028 N/A ALA 32.A N PHE 28.A O no hydrogen 2.914 N/A VAL 33.A N MET 29.A O no hydrogen 2.883 N/A GLU 34.A N LYS 30.A O no hydrogen 2.970 N/A LYS 35.A N ALA 32.A O no hydrogen 3.129 N/A LYS 35.A NZ MET 1.A O no hydrogen 3.342 N/A LYS 35.A NZ MET 4.A O no hydrogen 2.766 N/A GLY 36.A N VAL 33.A O no hydrogen 2.976 N/A SER 40.A N GLU 43.A OE1 no hydrogen 2.848 N/A GLU 43.A N SER 40.A OG no hydrogen 3.172 N/A ARG 44.A N SER 40.A O no hydrogen 2.840 N/A ARG 44.A NH2 LEU 39.A O no hydrogen 2.989 N/A ASN 45.A N CYS 41.A O no hydrogen 3.057 N/A ASN 45.A ND2 CYS 41.A O no hydrogen 2.761 N/A LEU 46.A N GLU 42.A O no hydrogen 3.018 N/A LEU 47.A N GLU 43.A O no hydrogen 2.981 N/A SER 48.A N ARG 44.A O no hydrogen 2.975 N/A VAL 49.A N ASN 45.A O no hydrogen 2.857 N/A ALA 50.A N LEU 46.A O no hydrogen 3.033 N/A TYR 51.A N LEU 47.A O no hydrogen 3.212 N/A LYS 52.A N SER 48.A O no hydrogen 2.838 N/A ASN 53.A N VAL 49.A O no hydrogen 3.134 N/A ASN 53.A ND2 VAL 49.A O no hydrogen 2.857 N/A VAL 54.A N ALA 50.A O no hydrogen 3.113 N/A VAL 55.A N.A TYR 51.A O no hydrogen 2.852 N/A VAL 55.A N.B TYR 51.A O no hydrogen 2.855 N/A GLY 56.A N LYS 52.A O no hydrogen 2.806 N/A GLY 57.A N ASN 53.A O no hydrogen 3.150 N/A GLN 58.A N VAL 54.A O no hydrogen 3.243 N/A ARG 59.A N VAL 55.A O.A no hydrogen 2.794 N/A ARG 59.A N VAL 55.A O.B no hydrogen 2.786 N/A ARG 59.A NE GLU 126.A OE1 no hydrogen 2.908 N/A ARG 59.A NH2 GLU 126.A OE1 no hydrogen 3.522 N/A ARG 59.A NH2 GLU 126.A OE2 no hydrogen 2.972 N/A ALA 60.A N GLY 56.A O no hydrogen 3.013 N/A ALA 61.A N GLY 57.A O no hydrogen 3.039 N/A TRP 62.A N GLN 58.A O no hydrogen 2.821 N/A TRP 62.A NE1 GLU 82.A OE1 no hydrogen 2.817 N/A ARG 63.A N ARG 59.A O no hydrogen 2.988 N/A VAL 64.A N ALA 60.A O no hydrogen 3.150 N/A LEU 65.A N ALA 61.A O no hydrogen 2.981 N/A SER 66.A N.A TRP 62.A O no hydrogen 2.729 N/A SER 66.A N.B TRP 62.A O no hydrogen 2.743 N/A SER 66.A OG.B TRP 62.A O no hydrogen 3.064 N/A SER 67.A N.A ARG 63.A O no hydrogen 3.016 N/A SER 67.A N.B ARG 63.A O no hydrogen 2.962 N/A SER 67.A OG.B ARG 63.A O no hydrogen 3.120 N/A ILE 68.A N VAL 64.A O no hydrogen 3.156 N/A GLU 69.A N LEU 65.A O no hydrogen 2.902 N/A GLN 70.A N SER 66.A O.A no hydrogen 2.819 N/A GLN 70.A N SER 66.A O.B no hydrogen 2.839 N/A GLU 73.A N GLU 73.A OE1 no hydrogen 2.881 N/A ARG 75.A NH1 GLU 79.A OE1.A no hydrogen 3.026 N/A ARG 75.A NH1 GLU 79.A OE2.A no hydrogen 3.504 N/A GLU 76.A N PRO 72.A O no hydrogen 2.876 N/A TYR 77.A N GLU 73.A O no hydrogen 2.968 N/A ARG 78.A N VAL 74.A O.A no hydrogen 2.852 N/A ARG 78.A N VAL 74.A O.B no hydrogen 2.898 N/A ARG 78.A NE GLU 69.A OE1 no hydrogen 2.675 N/A ARG 78.A NH1 GLU 79.A OE2.B no hydrogen 2.884 N/A ARG 78.A NH1 GLU 82.A OE1 no hydrogen 2.894 N/A ARG 78.A NH2 GLU 69.A OE1 no hydrogen 3.338 N/A ARG 78.A NH2 GLU 69.A OE2 no hydrogen 2.820 N/A GLU 79.A N.A ARG 75.A O no hydrogen 2.834 N/A GLU 79.A N.B ARG 75.A O no hydrogen 2.839 N/A LYS 80.A N.A GLU 76.A O no hydrogen 2.896 N/A LYS 80.A N.B GLU 76.A O no hydrogen 2.920 N/A LYS 80.A NZ.B GLU 84.A OE2 no hydrogen 3.210 N/A VAL 81.A N TYR 77.A O no hydrogen 3.013 N/A GLU 82.A N ARG 78.A O no hydrogen 2.823 N/A THR 83.A N GLU 79.A O.A no hydrogen 2.839 N/A THR 83.A N GLU 79.A O.B no hydrogen 2.834 N/A THR 83.A OG1 GLU 79.A O.A no hydrogen 2.822 N/A THR 83.A OG1 GLU 79.A O.B no hydrogen 2.817 N/A GLU 84.A N LYS 80.A O.A no hydrogen 3.179 N/A GLU 84.A N LYS 80.A O.B no hydrogen 3.109 N/A LEU 85.A N VAL 81.A O no hydrogen 2.877 N/A GLN 86.A N GLU 82.A O no hydrogen 2.880 N/A GLY 87.A N THR 83.A O no hydrogen 2.927 N/A VAL 88.A N GLU 84.A O no hydrogen 3.050 N/A CYS 89.A N LEU 85.A O no hydrogen 2.999 N/A CYS 89.A SG LEU 85.A O no hydrogen 3.522 N/A CYS 89.A SG TYR 120.A O no hydrogen 3.809 N/A ASP 90.A N GLN 86.A O no hydrogen 2.837 N/A THR 91.A N GLY 87.A O no hydrogen 2.904 N/A THR 91.A OG1 GLY 87.A O no hydrogen 2.995 N/A VAL 92.A N VAL 88.A O no hydrogen 2.996 N/A LEU 93.A N CYS 89.A O no hydrogen 2.871 N/A GLY 94.A N ASP 90.A O no hydrogen 2.825 N/A LEU 95.A N THR 91.A O no hydrogen 3.044 N/A LEU 96.A N VAL 92.A O no hydrogen 3.002 N/A ASP 97.A N LEU 93.A O no hydrogen 2.926 N/A SER 98.A N LEU 95.A O no hydrogen 3.333 N/A LEU 100.A N LEU 95.A O no hydrogen 3.315 N/A ILE 101.A N LEU 96.A O no hydrogen 2.980 N/A GLU 103.A N.A HIS 99.A O no hydrogen 3.320 N/A GLU 103.A N.B HIS 99.A O no hydrogen 3.346 N/A ALA 104.A N ILE 101.A O no hydrogen 2.988 N/A SER 109.A OG ASP 106.A O no hydrogen 3.007 N/A ARG 110.A N ASP 106.A O no hydrogen 2.928 N/A ARG 110.A NH1 ALA 104.A O no hydrogen 3.128 N/A ARG 110.A NH2 GLU 143.A OE2 no hydrogen 3.253 N/A VAL 111.A N ALA 107.A O no hydrogen 2.828 N/A PHE 112.A N GLU 108.A O.A no hydrogen 3.220 N/A PHE 112.A N GLU 108.A O.B no hydrogen 3.194 N/A TYR 113.A N SER 109.A O no hydrogen 2.996 N/A LEU 114.A N ARG 110.A O no hydrogen 2.949 N/A LYS 115.A N VAL 111.A O no hydrogen 2.898 N/A LYS 115.A NZ ASP 119.A OD2 no hydrogen 2.897 N/A MET 116.A N.B PHE 112.A O no hydrogen 2.982 N/A MET 116.A N.C PHE 112.A O no hydrogen 3.018 N/A MET 116.A O.B LYS 115.A O no hydrogen 3.326 N/A MET 116.A O.C LYS 115.A O no hydrogen 3.414 N/A LYS 117.A N TYR 113.A O no hydrogen 2.892 N/A GLY 118.A N LEU 114.A O no hydrogen 2.978 N/A ASP 119.A N LYS 115.A O no hydrogen 2.846 N/A TYR 120.A N MET 116.A O.B no hydrogen 2.910 N/A TYR 120.A N MET 116.A O.C no hydrogen 2.936 N/A TYR 121.A N LYS 117.A O no hydrogen 3.036 N/A ARG 122.A N GLY 118.A O no hydrogen 2.821 N/A ARG 122.A NE TYR 141.A OH no hydrogen 2.889 N/A ARG 122.A NH2 ASP 119.A OD1 no hydrogen 3.183 N/A ARG 122.A NH2 TYR 141.A OH no hydrogen 3.455 N/A TYR 123.A N ASP 119.A O no hydrogen 2.894 N/A LEU 124.A N TYR 120.A O no hydrogen 3.032 N/A ALA 125.A N TYR 121.A O no hydrogen 2.834 N/A GLU 126.A N ARG 122.A O no hydrogen 2.981 N/A VAL 127.A N LEU 124.A O no hydrogen 3.215 N/A ALA 128.A N ALA 125.A O no hydrogen 3.249 N/A ILE 134.A N LYS 130.A O no hydrogen 2.974 N/A ASP 135.A N LYS 131.A O no hydrogen 2.959 N/A SER 136.A N ARG 132.A O no hydrogen 2.975 N/A SER 136.A OG ARG 132.A O no hydrogen 3.252 N/A ALA 137.A N ILE 133.A O no hydrogen 2.963 N/A ARG 138.A N.A ILE 134.A O no hydrogen 2.886 N/A ARG 138.A N.B ILE 134.A O no hydrogen 2.887 N/A ARG 138.A NE.B ASP 135.A OD1 no hydrogen 2.955 N/A ARG 138.A NH2.B ASP 135.A OD1 no hydrogen 3.326 N/A ARG 138.A NH2.B ASP 135.A OD2 no hydrogen 3.390 N/A SER 139.A N ASP 135.A O no hydrogen 2.858 N/A ALA 140.A N SER 136.A O no hydrogen 3.115 N/A TYR 141.A N ALA 137.A O no hydrogen 2.973 N/A TYR 141.A OH ASP 119.A OD1 no hydrogen 2.584 N/A GLN 142.A N ARG 138.A O.A no hydrogen 2.792 N/A GLN 142.A N ARG 138.A O.B no hydrogen 2.790 N/A GLN 142.A NE2 ASP 146.A OD1 no hydrogen 2.984 N/A GLU 143.A N SER 139.A O no hydrogen 3.019 N/A ALA 144.A N ALA 140.A O no hydrogen 3.035 N/A MET 145.A N.A TYR 141.A O no hydrogen 2.839 N/A MET 145.A N.B TYR 141.A O no hydrogen 2.845 N/A ASP 146.A N GLN 142.A O no hydrogen 2.928 N/A ILE 147.A N GLU 143.A O no hydrogen 3.185 N/A SER 148.A N ALA 144.A O no hydrogen 2.925 N/A SER 148.A OG ALA 144.A O no hydrogen 3.329 N/A SER 148.A OG MET 145.A O.A no hydrogen 2.973 N/A SER 148.A OG MET 145.A O.B no hydrogen 2.967 N/A LYS 149.A N MET 145.A O.A no hydrogen 2.927 N/A LYS 149.A N MET 145.A O.B no hydrogen 2.923 N/A LYS 150.A N ASP 146.A O no hydrogen 3.345 N/A GLU 151.A N ILE 147.A O no hydrogen 2.886 N/A MET 152.A N SER 148.A O no hydrogen 3.011 N/A THR 155.A OG1 ASP 194.A OD2 no hydrogen 2.662 N/A ASN 156.A N PRO 153.A O no hydrogen 2.958 N/A ASN 156.A ND2 GLU 108.A OE1.B no hydrogen 3.098 N/A ILE 158.A N ASN 156.A OD1 no hydrogen 2.885 N/A ARG 159.A N ASN 156.A OD1 no hydrogen 3.166 N/A ARG 159.A NH1 MET 152.A O no hydrogen 2.848 N/A LEU 160.A N ASN 156.A O no hydrogen 2.911 N/A GLY 161.A N PRO 157.A O no hydrogen 2.902 N/A LEU 162.A N ILE 158.A O no hydrogen 2.913 N/A ALA 163.A N ARG 159.A O no hydrogen 2.980 N/A LEU 164.A N LEU 160.A O no hydrogen 2.933 N/A ASN 165.A N GLY 161.A O no hydrogen 2.978 N/A ASN 165.A ND2 ASP 119.A OD1 no hydrogen 2.902 N/A ASN 165.A ND2 ASP 119.A OD2 no hydrogen 3.298 N/A PHE 166.A N LEU 162.A O no hydrogen 2.849 N/A SER 167.A N.A ALA 163.A O no hydrogen 2.892 N/A SER 167.A N.C ALA 163.A O no hydrogen 2.885 N/A SER 167.A OG.A ALA 163.A O no hydrogen 3.499 N/A SER 167.A OG.A LEU 164.A O no hydrogen 2.623 N/A SER 167.A OG.B ALA 180.A O no hydrogen 2.867 N/A SER 167.A OG.C ALA 163.A O no hydrogen 2.875 N/A VAL 168.A N LEU 164.A O no hydrogen 3.016 N/A PHE 169.A N ASN 165.A O no hydrogen 2.891 N/A HIS 170.A N PHE 166.A O no hydrogen 2.901 N/A TYR 171.A N SER 167.A O.A no hydrogen 2.966 N/A TYR 171.A N SER 167.A O.C no hydrogen 3.002 N/A GLU 172.A N VAL 168.A O no hydrogen 2.865 N/A ILE 173.A N PHE 169.A O no hydrogen 2.886 N/A ALA 174.A N PHE 169.A O no hydrogen 3.012 N/A SER 176.A N HIS 170.A O no hydrogen 2.787 N/A SER 176.A OG ALA 174.A O no hydrogen 3.156 N/A ALA 180.A N SER 176.A O no hydrogen 3.072 N/A ILE 181.A N PRO 177.A O no hydrogen 2.912 N/A SER 182.A N.A GLU 178.A O no hydrogen 2.910 N/A SER 182.A N.B GLU 178.A O no hydrogen 2.919 N/A SER 182.A OG.B GLU 178.A O no hydrogen 3.024 N/A LEU 183.A N GLU 179.A O no hydrogen 2.945 N/A ALA 184.A N ALA 180.A O no hydrogen 2.986 N/A LYS 185.A N.A ILE 181.A O no hydrogen 2.925 N/A LYS 185.A N.B ILE 181.A O no hydrogen 2.933 N/A THR 186.A N SER 182.A O.A no hydrogen 2.955 N/A THR 186.A N SER 182.A O.B no hydrogen 2.915 N/A THR 186.A OG1 SER 182.A O.A no hydrogen 3.309 N/A THR 186.A OG1 SER 182.A O.B no hydrogen 3.324 N/A THR 187.A N LEU 183.A O no hydrogen 2.942 N/A THR 187.A OG1 LEU 183.A O no hydrogen 2.686 N/A PHE 188.A N ALA 184.A O no hydrogen 2.975 N/A ASP 189.A N LYS 185.A O.A no hydrogen 2.930 N/A ASP 189.A N LYS 185.A O.B no hydrogen 2.932 N/A GLU 190.A N THR 186.A O no hydrogen 2.966 N/A ALA 191.A N THR 187.A O no hydrogen 3.047 N/A MET 192.A N.A PHE 188.A O no hydrogen 2.856 N/A MET 192.A N.B PHE 188.A O no hydrogen 2.860 N/A ALA 193.A N ASP 189.A O no hydrogen 3.215 N/A ASP 194.A N ALA 191.A O no hydrogen 2.896 N/A LEU 195.A N MET 192.A O.A no hydrogen 3.294 N/A LEU 195.A N MET 192.A O.B no hydrogen 3.278 N/A HIS 196.A ND1 ALA 193.A O no hydrogen 3.168 N/A THR 197.A N ASP 194.A O no hydrogen 3.111 N/A THR 197.A OG1 ASP 194.A O no hydrogen 2.779 N/A THR 197.A OG1 ASP 194.A OD1 no hydrogen 3.550 N/A LEU 198.A N LEU 195.A O no hydrogen 3.084 N/A SER 199.A OG SER 202.A OG no hydrogen 3.292 N/A SER 202.A N SER 199.A OG no hydrogen 3.092 N/A SER 202.A OG SER 199.A OG no hydrogen 3.292 N/A TYR 203.A N SER 199.A O no hydrogen 2.763 N/A LYS 204.A N GLU 200.A O no hydrogen 3.049 N/A ASP 205.A N ASP 201.A O no hydrogen 3.075 N/A SER 206.A N SER 202.A O no hydrogen 2.922 N/A SER 206.A OG THR 155.A O no hydrogen 2.671 N/A SER 206.A OG SER 202.A O no hydrogen 3.381 N/A THR 207.A N TYR 203.A O no hydrogen 2.896 N/A THR 207.A OG1 TYR 203.A O no hydrogen 2.841 N/A THR 207.A OG1 LYS 204.A O no hydrogen 3.329 N/A LEU 208.A N LYS 204.A O no hydrogen 3.109 N/A MET 210.A N SER 206.A O no hydrogen 2.956 N/A GLN 211.A N THR 207.A O no hydrogen 2.969 N/A GLN 211.A NE2 ASP 215.A OD1 no hydrogen 2.847 N/A LEU 213.A N ILE 209.A O no hydrogen 3.215 N/A ARG 214.A N MET 210.A O no hydrogen 2.967 N/A ASP 215.A N GLN 211.A O no hydrogen 2.759 N/A ASN 216.A N LEU 212.A O no hydrogen 3.002 N/A LEU 217.A N LEU 213.A O no hydrogen 2.899 N/A THR 218.A N ARG 214.A O no hydrogen 2.916 N/A THR 218.A OG1 ARG 214.A O no hydrogen 3.083 N/A LEU 219.A N ASP 215.A O no hydrogen 3.060 N/A TRP 220.A N ASN 216.A O no hydrogen 2.876 N/A TRP 220.A N LEU 217.A O no hydrogen 3.146 N/A THR 221.A N LEU 217.A O no hydrogen 2.983 N/A THR 221.A OG1 LEU 217.A O no hydrogen 2.691 N/A