Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4one_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 81.A OD2 no hydrogen 2.902 N/A ARG 2.A NH2 ASP 81.A OD1 no hydrogen 2.792 N/A ARG 2.A NH2 ASP 81.A OD2 no hydrogen 3.457 N/A ARG 4.A NE ASP 30.A OD1 no hydrogen 2.725 N/A ARG 4.A NH1 PHE 29.A O no hydrogen 3.146 N/A VAL 6.A N ASP 81.A OD2 no hydrogen 2.794 N/A ALA 7.A N ASP 30.A O no hydrogen 2.881 N/A LEU 8.A N CYS 82.A O no hydrogen 2.817 N/A VAL 9.A N ALA 32.A O no hydrogen 2.852 N/A THR 10.A N VAL 84.A O no hydrogen 3.070 N/A THR 10.A OG1 VAL 84.A O no hydrogen 3.406 N/A GLY 12.A N THR 34.A O no hydrogen 3.359 N/A ARG 13.A NE ASP 35.A OD2 no hydrogen 3.134 N/A LEU 18.A N ARG 14.A O no hydrogen 3.178 N/A GLY 19.A N GLY 15.A O no hydrogen 3.043 N/A ILE 20.A N ILE 16.A O no hydrogen 2.934 N/A ALA 21.A N GLY 17.A O no hydrogen 2.892 N/A ARG 22.A N LEU 18.A O no hydrogen 2.854 N/A ALA 23.A N GLY 19.A O no hydrogen 3.074 N/A LEU 24.A N ILE 20.A O no hydrogen 2.935 N/A ALA 25.A N ALA 21.A O no hydrogen 2.856 N/A ALA 26.A N ARG 22.A O no hydrogen 2.962 N/A LYS 27.A N ALA 23.A O no hydrogen 3.121 N/A GLY 28.A N ALA 25.A O no hydrogen 2.988 N/A PHE 29.A N LEU 24.A O no hydrogen 2.985 N/A ASP 30.A N PRO 5.A O no hydrogen 2.843 N/A LEU 31.A N LYS 52.A O no hydrogen 2.876 N/A ALA 32.A N ALA 7.A O no hydrogen 2.840 N/A ILE 33.A N ALA 54.A O no hydrogen 2.867 N/A THR 34.A N VAL 9.A O no hydrogen 3.237 N/A ASP 35.A N PHE 56.A O no hydrogen 3.425 N/A GLU 37.A N ASP 35.A OD2 no hydrogen 2.986 N/A VAL 42.A N ASP 39.A O no hydrogen 3.142 N/A VAL 42.A N ASP 39.A OD1 no hydrogen 3.341 N/A ILE 43.A N ASP 39.A O no hydrogen 3.381 N/A HIS 44.A N GLU 40.A O no hydrogen 2.943 N/A GLU 45.A N ALA 41.A O no hydrogen 2.959 N/A LEU 46.A N VAL 42.A O no hydrogen 2.952 N/A ARG 47.A N ILE 43.A O no hydrogen 3.180 N/A ARG 47.A NH2 VAL 53.A O no hydrogen 2.889 N/A GLY 48.A N GLU 45.A O no hydrogen 2.992 N/A LEU 49.A N LEU 46.A O no hydrogen 3.029 N/A GLY 50.A N ARG 47.A O no hydrogen 2.989 N/A LYS 52.A N ASP 30.A OD1 no hydrogen 2.931 N/A LYS 52.A NZ ALA 76.A O no hydrogen 2.980 N/A ALA 54.A N LEU 31.A O no hydrogen 2.876 N/A PHE 56.A N ILE 33.A O no hydrogen 2.855 N/A LYS 57.A NZ ARG 36.A O no hydrogen 2.754 N/A LYS 57.A NZ SER 38.A OG no hydrogen 3.229 N/A SER 58.A N ASP 35.A O no hydrogen 2.958 N/A ALA 61.A N ASP 59.A OD1 no hydrogen 3.054 N/A ALA 62.A N ASP 59.A O no hydrogen 2.883 N/A VAL 63.A N ALA 61.A O no hydrogen 3.043 N/A THR 65.A N ALA 62.A O no hydrogen 2.920 N/A THR 65.A OG1 ALA 62.A O no hydrogen 2.624 N/A HIS 66.A N VAL 63.A O no hydrogen 3.176 N/A HIS 66.A NE2 LEU 60.A O no hydrogen 2.878 N/A THR 69.A N THR 65.A O no hydrogen 3.154 N/A THR 69.A OG1 THR 65.A O no hydrogen 3.325 N/A VAL 70.A N HIS 66.A O no hydrogen 2.942 N/A PHE 71.A N GLU 67.A O.A no hydrogen 2.860 N/A PHE 71.A N GLU 67.A O.B no hydrogen 2.882 N/A ALA 72.A N ALA 68.A O no hydrogen 2.916 N/A VAL 73.A N THR 69.A O no hydrogen 2.968 N/A LEU 74.A N VAL 70.A O no hydrogen 2.909 N/A ASP 75.A N PHE 71.A O no hydrogen 2.851 N/A ALA 76.A N ALA 72.A O no hydrogen 3.002 N/A PHE 77.A N VAL 73.A O no hydrogen 2.892 N/A GLY 78.A N LEU 74.A O no hydrogen 2.698 N/A ASP 81.A N VAL 6.A O no hydrogen 2.871 N/A CYS 82.A N VAL 6.A O no hydrogen 2.972 N/A CYS 82.A SG SER 138.A OG no hydrogen 3.421 N/A LEU 83.A N SER 138.A O no hydrogen 2.934 N/A VAL 84.A N LEU 8.A O no hydrogen 2.835 N/A ASN 85.A N VAL 140.A O no hydrogen 2.892 N/A ASN 85.A ND2 THR 120.A OG1 no hydrogen 2.884 N/A ASN 85.A ND2 THR 141.A OG1 no hydrogen 3.146 N/A ASN 86.A N THR 10.A OG1 no hydrogen 2.994 N/A ASN 86.A ND2 THR 10.A O no hydrogen 3.119 N/A ALA 87.A N THR 10.A OG1 no hydrogen 2.922 N/A MET 89.A N ASN 112.A OD1 no hydrogen 2.809 N/A GLY 95.A N GLU 153.A O no hydrogen 2.859 N/A LEU 98.A N ASP 96.A OD1 no hydrogen 2.955 N/A ALA 99.A N ASP 96.A O no hydrogen 2.878 N/A LEU 100.A N PHE 97.A O no hydrogen 3.036 N/A LYS 101.A NZ GLU 93.A OE1 no hydrogen 3.528 N/A LYS 101.A NZ GLU 93.A OE2 no hydrogen 3.541 N/A GLU 103.A N GLU 103.A OE1 no hydrogen 2.793 N/A ASN 104.A N LYS 101.A O no hydrogen 2.964 N/A ASN 104.A ND2 GLU 93.A OE1 no hydrogen 3.085 N/A PHE 105.A N LYS 101.A O no hydrogen 3.011 N/A ASP 106.A N PRO 102.A O no hydrogen 2.798 N/A THR 107.A N GLU 103.A O no hydrogen 3.072 N/A THR 107.A OG1 GLU 103.A O no hydrogen 2.994 N/A ILE 108.A N ASN 104.A O no hydrogen 3.176 N/A MET 109.A N PHE 105.A O no hydrogen 2.955 N/A ASP 110.A N ASP 106.A O no hydrogen 2.813 N/A VAL 111.A N THR 107.A O no hydrogen 3.146 N/A ASN 112.A N ILE 108.A O no hydrogen 2.823 N/A ASN 112.A ND2 MET 89.A O no hydrogen 3.076 N/A ASN 112.A ND2 SER 160.A OG no hydrogen 3.117 N/A LEU 113.A N MET 109.A O no hydrogen 3.119 N/A ARG 114.A N MET 109.A O no hydrogen 2.887 N/A GLY 115.A N ASP 110.A O no hydrogen 2.815 N/A THR 116.A OG1 ASN 112.A O no hydrogen 2.652 N/A VAL 117.A N LEU 113.A O no hydrogen 2.889 N/A PHE 118.A N ARG 114.A O no hydrogen 3.066 N/A PHE 119.A N GLY 115.A O no hydrogen 2.824 N/A THR 120.A N THR 116.A O no hydrogen 2.926 N/A THR 120.A OG1 THR 116.A O no hydrogen 2.753 N/A GLN 121.A N VAL 117.A O no hydrogen 2.967 N/A ALA 122.A N PHE 118.A O no hydrogen 3.136 N/A VAL 123.A N PHE 119.A O no hydrogen 3.028 N/A VAL 124.A N THR 120.A O no hydrogen 2.798 N/A LYS 125.A N GLN 121.A O no hydrogen 3.019 N/A LYS 125.A NZ GLU 67.A OE2.B no hydrogen 3.263 N/A ALA 126.A N ALA 122.A O no hydrogen 3.409 N/A MET 127.A N VAL 123.A O no hydrogen 2.910 N/A LEU 128.A N VAL 124.A O no hydrogen 2.870 N/A ALA 129.A N LYS 125.A O no hydrogen 3.211 N/A ALA 129.A N ALA 126.A O no hydrogen 3.149 N/A ALA 130.A N MET 127.A O no hydrogen 3.101 N/A ARG 137.A NH1 ALA 178.A O no hydrogen 3.267 N/A ARG 137.A NH2 MET 127.A O no hydrogen 2.834 N/A SER 138.A N ASP 81.A O no hydrogen 2.975 N/A ILE 139.A N GLY 181.A O no hydrogen 2.805 N/A VAL 140.A N LEU 83.A O no hydrogen 2.824 N/A THR 141.A N PHE 183.A O no hydrogen 2.931 N/A ILE 142.A N ASN 85.A O no hydrogen 2.901 N/A SER 143.A N VAL 185.A O no hydrogen 2.867 N/A SER 143.A OG SER 147.A OG no hydrogen 3.393 N/A SER 143.A OG GLU 184.A OE2 no hydrogen 2.615 N/A VAL 145.A N PRO 187.A O no hydrogen 3.035 N/A SER 146.A N SER 144.A OG no hydrogen 2.881 N/A SER 146.A OG SER 144.A OG no hydrogen 3.359 N/A SER 147.A N SER 144.A O no hydrogen 3.010 N/A SER 147.A OG SER 143.A OG no hydrogen 3.393 N/A SER 147.A OG SER 144.A O no hydrogen 3.250 N/A SER 147.A OG LYS 161.A O no hydrogen 2.912 N/A SER 147.A OG THR 165.A OG1 no hydrogen 3.045 N/A SER 147.A OG GLU 184.A OE2 no hydrogen 3.475 N/A VAL 148.A N VAL 145.A O no hydrogen 2.970 N/A MET 149.A N VAL 145.A O no hydrogen 2.908 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.805 N/A ARG 154.A N SER 151.A O no hydrogen 2.997 N/A ARG 154.A NE GLU 153.A OE2 no hydrogen 3.165 N/A CYS 158.A N ARG 154.A O no hydrogen 3.194 N/A CYS 158.A SG MET 149.A O no hydrogen 3.958 N/A CYS 158.A SG SER 151.A O no hydrogen 3.996 N/A CYS 158.A SG ARG 154.A O no hydrogen 3.648 N/A ILE 159.A N LEU 155.A O no hydrogen 2.776 N/A SER 160.A N ASP 156.A O no hydrogen 3.050 N/A SER 160.A OG TYR 157.A O no hydrogen 2.854 N/A LYS 161.A N TYR 157.A O no hydrogen 3.068 N/A LYS 161.A NZ SER 143.A O no hydrogen 2.966 N/A ALA 162.A N CYS 158.A O no hydrogen 2.827 N/A GLY 163.A N ILE 159.A O no hydrogen 2.971 N/A LEU 164.A N SER 160.A O no hydrogen 3.378 N/A THR 165.A N LYS 161.A O no hydrogen 3.108 N/A THR 165.A OG1 LYS 161.A O no hydrogen 3.414 N/A THR 165.A OG1 GLU 184.A OE1 no hydrogen 3.537 N/A THR 165.A OG1 GLU 184.A OE2 no hydrogen 2.667 N/A ALA 166.A N ALA 162.A O no hydrogen 3.235 N/A PHE 167.A N GLY 163.A O no hydrogen 2.984 N/A VAL 168.A N LEU 164.A O no hydrogen 2.882 N/A GLN 169.A N THR 165.A O no hydrogen 3.324 N/A GLN 169.A NE2 GLY 239.A O no hydrogen 2.880 N/A GLY 170.A N ALA 166.A O no hydrogen 3.301 N/A LEU 171.A N PHE 167.A O no hydrogen 2.835 N/A ALA 172.A N VAL 168.A O no hydrogen 2.909 N/A LEU 173.A N GLN 169.A O no hydrogen 3.388 N/A ARG 174.A N GLY 170.A O no hydrogen 2.983 N/A ARG 174.A NH1 ARG 174.A O no hydrogen 2.954 N/A LEU 175.A N LEU 171.A O no hydrogen 2.980 N/A LEU 175.A N ALA 172.A O no hydrogen 3.295 N/A ALA 176.A N LEU 173.A O no hydrogen 3.388 N/A ARG 179.A N ALA 176.A O no hydrogen 3.088 N/A ILE 180.A N LEU 175.A O no hydrogen 3.388 N/A GLY 181.A N ARG 137.A O no hydrogen 2.956 N/A VAL 182.A N THR 238.A OG1 no hydrogen 2.938 N/A PHE 183.A N ILE 139.A O no hydrogen 3.014 N/A GLU 184.A N SER 240.A O no hydrogen 3.114 N/A VAL 185.A N THR 141.A O no hydrogen 2.923 N/A ARG 186.A N ILE 242.A O no hydrogen 2.831 N/A ARG 186.A NE GLU 184.A OE2 no hydrogen 2.916 N/A ARG 186.A NH2 GLU 184.A OE1 no hydrogen 2.961 N/A GLY 188.A N ALA 244.A O no hydrogen 2.921 N/A ARG 191.A N GLY 217.A O no hydrogen 2.888 N/A ARG 191.A NE GLU 218.A OE1 no hydrogen 2.898 N/A ARG 191.A NE GLU 218.A OE2 no hydrogen 3.448 N/A ARG 191.A NH2 GLU 218.A OE2 no hydrogen 2.938 N/A VAL 198.A N THR 195.A OG1 no hydrogen 3.204 N/A ALA 199.A N THR 195.A O no hydrogen 2.924 N/A ALA 200.A N ALA 196.A O no hydrogen 2.843 N/A ARG 201.A N LYS 197.A O no hydrogen 3.342 N/A TYR 202.A N VAL 198.A O no hydrogen 3.043 N/A ASP 203.A N ALA 199.A O no hydrogen 2.817 N/A ALA 204.A N ALA 200.A O no hydrogen 3.077 N/A LEU 205.A N ARG 201.A O no hydrogen 3.102 N/A ILE 206.A N TYR 202.A O no hydrogen 2.851 N/A GLU 207.A N ASP 203.A O no hydrogen 2.862 N/A GLY 208.A N ALA 204.A O no hydrogen 2.899 N/A GLY 209.A N ILE 206.A O no hydrogen 3.071 N/A LEU 210.A N LEU 205.A O no hydrogen 3.056 N/A MET 213.A N GLY 246.A O no hydrogen 3.045 N/A LYS 214.A N VAL 211.A O no hydrogen 2.798 N/A ARG 215.A NH1 TRP 216.A O no hydrogen 2.952 N/A ARG 215.A NH1 ASP 221.A OD2 no hydrogen 2.811 N/A ARG 215.A NH2 ASP 221.A OD1 no hydrogen 2.945 N/A TRP 216.A NE1 ASP 203.A OD1 no hydrogen 2.446 N/A GLY 217.A N ILE 189.A O no hydrogen 3.053 N/A GLU 218.A N ASP 221.A OD2 no hydrogen 2.799 N/A ASP 221.A N GLU 218.A O no hydrogen 2.915 N/A VAL 222.A N GLU 218.A O no hydrogen 3.456 N/A GLY 223.A N ALA 219.A O no hydrogen 2.913 N/A ALA 224.A N SER 220.A O no hydrogen 2.918 N/A ILE 225.A N ASP 221.A O no hydrogen 3.148 N/A VAL 226.A N VAL 222.A O no hydrogen 2.925 N/A ALA 227.A N GLY 223.A O no hydrogen 2.900 N/A GLY 228.A N ALA 224.A O no hydrogen 3.002 N/A LEU 229.A N ILE 225.A O no hydrogen 3.054 N/A ALA 230.A N VAL 226.A O no hydrogen 2.868 N/A GLY 231.A N GLY 228.A O no hydrogen 3.405 N/A ILE 235.A N GLY 232.A O no hydrogen 3.318 N/A ALA 237.A N PHE 234.A O no hydrogen 2.818 N/A THR 238.A N ILE 235.A O no hydrogen 3.289 N/A THR 238.A OG1 VAL 182.A O no hydrogen 3.538 N/A GLY 239.A N VAL 182.A O no hydrogen 2.725 N/A SER 240.A N ALA 237.A O no hydrogen 2.963 N/A SER 240.A OG ALA 237.A O no hydrogen 2.653 N/A ILE 242.A N GLU 184.A O no hydrogen 2.801 N/A HIS 243.A ND1.B ASP 245.A OD1 no hydrogen 2.450 N/A ALA 244.A N ARG 186.A O no hydrogen 2.853 N/A GLY 247.A N ASP 245.A OD1 no hydrogen 2.990 N/A LEU 248.A N ASP 245.A O no hydrogen 3.047 N/A SER 249.A N ASP 245.A OD2 no hydrogen 2.920 N/A SER 249.A OG ASP 245.A OD2 no hydrogen 2.679 N/A ILE 250.A N GLY 247.A O no hydrogen 3.068 N/A