Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dfi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ASP 29.A OD2 no hydrogen 2.763 N/A ARG 2.A NH2 ASP 29.A OD2 no hydrogen 2.874 N/A THR 3.A N ASP 1.A OD1 no hydrogen 2.956 N/A THR 3.A OG1 ASP 1.A OD1 no hydrogen 2.668 N/A ARG 4.A N THR 119.A OG1 no hydrogen 3.083 N/A ARG 4.A NE ASP 117.A O no hydrogen 2.668 N/A ARG 4.A NH2 ASP 117.A O no hydrogen 3.416 N/A ILE 5.A N LYS 32.A O no hydrogen 2.719 N/A LEU 6.A N LEU 120.A O no hydrogen 2.923 N/A ALA 7.A N THR 34.A O no hydrogen 2.905 N/A ILE 8.A N LEU 122.A O no hydrogen 2.728 N/A SER 9.A N PHE 36.A O no hydrogen 2.834 N/A SER 9.A OG HIS 11.A O no hydrogen 2.668 N/A HIS 11.A ND1 ASP 14.A OD2 no hydrogen 2.958 N/A HIS 11.A NE2 ASP 132.A OD1 no hydrogen 2.736 N/A ASP 14.A N HIS 11.A O no hydrogen 3.324 N/A ALA 15.A N SER 9.A OG no hydrogen 3.073 N/A LEU 17.A N ASP 13.A O no hydrogen 3.021 N/A SER 18.A N ASP 14.A O no hydrogen 3.017 N/A SER 18.A N ALA 15.A O no hydrogen 3.282 N/A SER 18.A OG ASP 14.A O no hydrogen 3.035 N/A VAL 19.A N ALA 15.A O no hydrogen 2.744 N/A GLY 20.A N VAL 16.A O no hydrogen 3.031 N/A ALA 21.A N GLU 231.A OE2 no hydrogen 3.154 N/A SER 22.A N GLU 231.A OE1 no hydrogen 2.897 N/A SER 22.A OG SER 181.A OG no hydrogen 2.607 N/A SER 22.A OG GLU 231.A OE1 no hydrogen 2.769 N/A LEU 23.A N VAL 19.A O no hydrogen 2.862 N/A ALA 24.A N GLY 20.A O no hydrogen 2.908 N/A GLN 25.A N ALA 21.A O no hydrogen 2.794 N/A ALA 26.A N SER 22.A O no hydrogen 2.848 N/A GLU 27.A N LEU 23.A O no hydrogen 3.019 N/A GLN 28.A N ALA 24.A O no hydrogen 2.888 N/A ASP 29.A N GLN 25.A O no hydrogen 2.908 N/A GLY 30.A N GLU 27.A O no hydrogen 3.064 N/A GLY 31.A N ALA 26.A O no hydrogen 2.865 N/A LYS 32.A N THR 3.A O no hydrogen 2.707 N/A THR 34.A N ILE 5.A O no hydrogen 2.909 N/A VAL 35.A N GLY 84.A O no hydrogen 2.898 N/A PHE 36.A N ALA 7.A O no hydrogen 2.852 N/A THR 37.A N ARG 86.A O no hydrogen 3.007 N/A VAL 38.A N SER 9.A O no hydrogen 2.953 N/A PHE 39.A N PRO 10.A O no hydrogen 2.891 N/A GLY 41.A N PHE 90.A O no hydrogen 2.985 N/A TYR 47.A OH ALA 43.A O no hydrogen 2.795 N/A ALA 51.A N SER 48.A O no hydrogen 2.867 N/A ALA 51.A N SER 48.A OG no hydrogen 3.194 N/A GLU 52.A N SER 48.A O no hydrogen 2.750 N/A ARG 53.A N PRO 49.A O no hydrogen 2.942 N/A HIS 55.A N ALA 51.A O no hydrogen 2.937 N/A HIS 55.A NE2 TYR 95.A OH no hydrogen 2.887 N/A ALA 56.A N GLU 52.A O no hydrogen 2.919 N/A ARG 57.A N ARG 53.A O no hydrogen 3.245 N/A TRP 58.A N PHE 54.A O no hydrogen 3.248 N/A TRP 58.A N HIS 55.A O no hydrogen 2.841 N/A GLY 59.A N ALA 56.A O no hydrogen 3.080 N/A LEU 60.A N HIS 55.A O no hydrogen 3.122 N/A SER 61.A N GLU 64.A OE1 no hydrogen 2.739 N/A GLU 64.A N SER 61.A O no hydrogen 3.009 N/A ALA 66.A N TYR 47.A OH no hydrogen 3.085 N/A LEU 68.A N ASP 65.A OD1 no hydrogen 3.088 N/A ARG 69.A N ASP 65.A O no hydrogen 3.035 N/A ARG 70.A N ALA 66.A O no hydrogen 2.944 N/A ARG 70.A NH2 LEU 12.A O no hydrogen 3.098 N/A ARG 71.A N PRO 67.A O no hydrogen 2.783 N/A ARG 71.A NH1 ALA 40.A O no hydrogen 3.177 N/A ASN 72.A N LEU 68.A O no hydrogen 2.918 N/A GLU 73.A N ARG 69.A O no hydrogen 2.900 N/A ASP 74.A N ARG 70.A O no hydrogen 2.930 N/A ILE 75.A N ARG 71.A O no hydrogen 2.986 N/A ALA 76.A N ASN 72.A O no hydrogen 3.115 N/A ALA 77.A N GLU 73.A O no hydrogen 2.985 N/A LEU 78.A N ASP 74.A O no hydrogen 2.913 N/A ASP 79.A N ILE 75.A O no hydrogen 2.964 N/A GLN 80.A N ALA 76.A O no hydrogen 3.290 N/A GLN 80.A N ALA 77.A O no hydrogen 3.083 N/A LEU 81.A N LEU 78.A O no hydrogen 2.934 N/A GLY 82.A N ASP 79.A O no hydrogen 3.263 N/A ALA 83.A N LEU 78.A O no hydrogen 2.926 N/A GLY 84.A N VAL 33.A O no hydrogen 2.813 N/A ARG 86.A N VAL 35.A O no hydrogen 2.931 N/A ARG 86.A NE HIS 85.A O no hydrogen 2.773 N/A ARG 86.A NH1 HIS 85.A O no hydrogen 2.986 N/A HIS 87.A NE2 ASP 74.A OD2 no hydrogen 2.659 N/A GLY 88.A N THR 37.A O no hydrogen 2.743 N/A ARG 89.A NE ASP 108.A OD2 no hydrogen 2.709 N/A ARG 89.A NH2 ASP 108.A OD1 no hydrogen 3.296 N/A PHE 90.A N VAL 38.A O no hydrogen 3.275 N/A ALA 93.A N ASP 132.A OD1 no hydrogen 3.451 N/A TYR 95.A N ASP 92.A O no hydrogen 2.801 N/A TYR 95.A OH HIS 55.A NE2 no hydrogen 2.887 N/A ARG 96.A N ALA 93.A O no hydrogen 3.121 N/A ARG 96.A NH1 LEU 91.A O no hydrogen 3.021 N/A ARG 96.A NH1 ASP 132.A OD2 no hydrogen 3.241 N/A VAL 102.A N ASN 98.A O no hydrogen 3.052 N/A ALA 103.A N HIS 99.A O no hydrogen 3.022 N/A ALA 104.A N ASP 100.A O no hydrogen 3.087 N/A ILE 105.A N LEU 101.A O no hydrogen 2.828 N/A ARG 106.A N VAL 102.A O no hydrogen 2.794 N/A ARG 106.A NE GLU 110.A OE2 no hydrogen 2.840 N/A ARG 106.A NH1 GLU 110.A OE2 no hydrogen 3.274 N/A GLU 107.A N ALA 103.A O no hydrogen 3.145 N/A ASP 108.A N ALA 104.A O no hydrogen 3.449 N/A ILE 109.A N ILE 105.A O no hydrogen 2.954 N/A GLU 110.A N ARG 106.A O no hydrogen 2.816 N/A SER 111.A N GLU 107.A O no hydrogen 2.939 N/A SER 111.A OG GLU 107.A O no hydrogen 3.106 N/A MET 112.A N ASP 108.A O no hydrogen 2.914 N/A ILE 113.A N ILE 109.A O no hydrogen 2.869 N/A ALA 114.A N GLU 110.A O no hydrogen 2.996 N/A GLU 115.A N SER 111.A O no hydrogen 3.092 N/A CYS 116.A N MET 112.A O no hydrogen 2.838 N/A ASP 117.A N ILE 113.A O no hydrogen 2.879 N/A THR 119.A N ARG 4.A O no hydrogen 2.729 N/A THR 119.A OG1 ASP 1.A O no hydrogen 2.652 N/A THR 119.A OG1 ARG 4.A O no hydrogen 3.310 N/A LEU 120.A N ARG 4.A O no hydrogen 3.293 N/A VAL 121.A N PRO 150.A O no hydrogen 2.932 N/A LEU 122.A N LEU 6.A O no hydrogen 2.947 N/A THR 123.A N ARG 152.A O no hydrogen 3.196 N/A THR 123.A OG1 ILE 8.A O no hydrogen 2.743 N/A CYS 124.A N THR 123.A OG1 no hydrogen 2.804 N/A CYS 124.A SG HIS 133.A ND1 no hydrogen 3.977 N/A CYS 124.A SG HIS 133.A O no hydrogen 3.454 N/A VAL 125.A N TRP 154.A O no hydrogen 2.817 N/A ILE 127.A N ASP 156.A OD1 no hydrogen 3.054 N/A LYS 129.A N ALA 126.A O no hydrogen 3.198 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 2.997 N/A HIS 133.A ND1 ASP 156.A OD2 no hydrogen 2.791 N/A HIS 133.A NE2 ASP 14.A OD2 no hydrogen 2.959 N/A LYS 134.A N HIS 130.A O no hydrogen 2.978 N/A ALA 135.A N PRO 131.A O no hydrogen 2.900 N/A THR 136.A N ASP 132.A O no hydrogen 2.938 N/A THR 136.A OG1 ASP 132.A O no hydrogen 2.670 N/A ARG 137.A N HIS 133.A O no hydrogen 2.971 N/A ARG 137.A NE ASP 138.A OD1 no hydrogen 2.931 N/A ARG 137.A NH1 VAL 125.A O no hydrogen 3.006 N/A ARG 137.A NH2 ASP 138.A OD1 no hydrogen 2.985 N/A ARG 137.A NH2 GLU 168.A O no hydrogen 2.831 N/A ASP 138.A N LYS 134.A O no hydrogen 2.950 N/A ALA 139.A N ALA 135.A O no hydrogen 2.998 N/A THR 140.A N THR 136.A O no hydrogen 2.893 N/A THR 140.A OG1 THR 136.A O no hydrogen 2.667 N/A LEU 141.A N ARG 137.A O no hydrogen 2.871 N/A LEU 142.A N ASP 138.A O no hydrogen 3.289 N/A ALA 143.A N ALA 139.A O no hydrogen 3.022 N/A ALA 144.A N THR 140.A O no hydrogen 2.911 N/A ARG 145.A N LEU 141.A O no hydrogen 3.244 N/A GLU 146.A N LEU 142.A O no hydrogen 3.001 N/A ARG 147.A N ALA 143.A O no hydrogen 3.057 N/A GLY 148.A N ARG 145.A O no hydrogen 3.355 N/A ILE 149.A N ALA 144.A O no hydrogen 2.851 N/A ARG 152.A N VAL 121.A O no hydrogen 3.152 N/A ARG 152.A NE THR 233.A OG1 no hydrogen 2.642 N/A ARG 152.A NH1 THR 233.A O no hydrogen 3.487 N/A ARG 152.A NH1 THR 233.A OG1 no hydrogen 3.273 N/A LEU 153.A N TRP 234.A O no hydrogen 2.856 N/A TRP 154.A N THR 123.A O no hydrogen 2.829 N/A GLN 155.A N THR 232.A O no hydrogen 3.028 N/A LEU 157.A N SER 18.A OG no hydrogen 2.914 N/A ALA 160.A N ASP 156.A O no hydrogen 3.049 N/A ALA 161.A N PRO 158.A O no hydrogen 2.709 N/A TYR 162.A N TYR 159.A O no hydrogen 3.157 N/A SER 163.A N TYR 159.A O no hydrogen 3.264 N/A LEU 173.A N PRO 170.A O no hydrogen 3.290 N/A ARG 174.A N ILE 237.A O no hydrogen 3.044 N/A GLY 176.A N PRO 235.A O no hydrogen 2.780 N/A GLU 179.A N THR 233.A O no hydrogen 2.826 N/A SER 181.A N GLU 231.A O no hydrogen 2.810 N/A SER 181.A OG SER 22.A OG no hydrogen 2.607 N/A VAL 183.A N TYR 229.A O no hydrogen 3.067 N/A ALA 187.A N ASP 184.A OD2 no hydrogen 2.986 N/A ARG 188.A N ASP 184.A O no hydrogen 3.354 N/A ARG 188.A NE ASP 217.A OD1 no hydrogen 3.303 N/A ARG 188.A NH1 ASP 217.A OD2 no hydrogen 3.153 N/A THR 189.A N GLU 185.A O no hydrogen 2.968 N/A THR 189.A OG1 GLU 185.A O no hydrogen 3.151 N/A ARG 190.A N GLU 186.A O no hydrogen 2.760 N/A ARG 190.A NE GLN 80.A O no hydrogen 3.312 N/A ARG 190.A NH1 GLN 80.A O no hydrogen 3.036 N/A ARG 190.A NH2 GLU 27.A OE2 no hydrogen 3.192 N/A LYS 191.A N ALA 187.A O no hydrogen 2.922 N/A LYS 191.A NZ LEU 17.A O no hydrogen 3.006 N/A LYS 191.A NZ TYR 229.A OH no hydrogen 2.802 N/A LYS 191.A NZ GLU 231.A OE2 no hydrogen 2.610 N/A PHE 192.A N ARG 188.A O no hydrogen 3.063 N/A GLN 193.A N THR 189.A O no hydrogen 3.066 N/A ALA 194.A N ARG 190.A O no hydrogen 2.988 N/A MET 195.A N LYS 191.A O no hydrogen 2.932 N/A LYS 196.A N PHE 192.A O no hydrogen 3.363 N/A LYS 196.A N GLN 193.A O no hydrogen 3.295 N/A LYS 196.A NZ GLN 193.A OE1 no hydrogen 3.505 N/A HIS 197.A N ALA 194.A O no hydrogen 3.087 N/A TYR 198.A N MET 195.A O no hydrogen 3.185 N/A TYR 198.A OH ASP 74.A OD1 no hydrogen 2.577 N/A ALA 199.A N HIS 197.A O no hydrogen 2.921 N/A THR 200.A N GLU 73.A OE2 no hydrogen 2.899 N/A LEU 202.A N TYR 198.A O no hydrogen 2.840 N/A SER 203.A OG ARG 57.A O no hydrogen 3.101 N/A SER 203.A OG THR 200.A O no hydrogen 2.813 N/A VAL 204.A N GLN 201.A O no hydrogen 2.976 N/A LEU 205.A N GLN 201.A O no hydrogen 2.941 N/A ASP 206.A N LEU 202.A O no hydrogen 2.814 N/A GLY 207.A N VAL 204.A O no hydrogen 3.263 N/A LYS 210.A N GLY 207.A O no hydrogen 3.072 N/A LYS 215.A N ASN 211.A O no hydrogen 2.548 N/A LEU 216.A N LEU 212.A O no hydrogen 2.821 N/A ASP 217.A N PHE 213.A O no hydrogen 2.998 N/A GLU 218.A N ALA 214.A O no hydrogen 2.804 N/A HIS 219.A N LYS 215.A O no hydrogen 2.802 N/A HIS 219.A NE2 GLN 155.A OE1 no hydrogen 2.699 N/A ALA 220.A N LEU 216.A O no hydrogen 3.047 N/A ARG 221.A N ASP 217.A O no hydrogen 2.917 N/A ASN 222.A N GLU 218.A O no hydrogen 2.787 N/A ALA 223.A N HIS 219.A O no hydrogen 3.277 N/A ALA 223.A N ALA 220.A O no hydrogen 3.242 N/A ALA 224.A N ALA 220.A O no hydrogen 3.280 N/A ALA 224.A N ARG 221.A O no hydrogen 3.124 N/A GLY 227.A N ALA 224.A O no hydrogen 3.300 N/A ASN 230.A ND2 ALA 220.A O no hydrogen 3.664 N/A GLU 231.A N SER 181.A O no hydrogen 3.163 N/A THR 233.A N GLU 179.A O no hydrogen 3.086 N/A TRP 234.A N LEU 153.A O no hydrogen 2.726 N/A ILE 237.A N ARG 174.A O no hydrogen 2.971 N/A ALA 240.A N GLY 172.A O no hydrogen 3.265 N/A