Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4le3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N SER 233.A O no hydrogen 3.246 N/A LEU 4.A N ILE 231.A O no hydrogen 2.741 N/A TRP 5.A N ILE 231.A O no hydrogen 3.252 N/A TRP 5.A NE1 PRO 29.A O no hydrogen 2.826 N/A GLY 7.A N VAL 229.A O no hydrogen 2.840 N/A ARG 8.A N ASP 6.A OD1 no hydrogen 2.997 N/A ARG 8.A NE ASP 6.A OD1 no hydrogen 3.037 N/A ARG 8.A NH1 ASP 6.A OD2 no hydrogen 3.090 N/A ASN 10.A ND2 GLY 57.A O no hydrogen 2.995 N/A MET 12.A N PHE 9.A O no hydrogen 2.907 N/A THR 13.A N ASP 17.A OD2 no hydrogen 2.889 N/A SER 15.A OG VAL 44.A O no hydrogen 2.634 N/A ALA 16.A N SER 14.A OG no hydrogen 3.186 N/A ASP 17.A N SER 14.A O no hydrogen 3.140 N/A LEU 18.A N SER 15.A O no hydrogen 2.912 N/A ASN 19.A N ALA 16.A O no hydrogen 3.049 N/A LYS 20.A N ASP 17.A O no hydrogen 3.105 N/A TRP 21.A N LEU 18.A O no hydrogen 3.285 N/A TRP 21.A NE1 GLN 85.A OE1 no hydrogen 2.828 N/A SER 22.A N ASN 25.A O no hydrogen 3.114 N/A ASN 25.A N SER 22.A O no hydrogen 2.998 N/A ASN 25.A N SER 22.A OG no hydrogen 2.908 N/A GLN 26.A NE2 TRP 23.A O no hydrogen 3.135 N/A VAL 27.A N ASN 25.A O no hydrogen 2.944 N/A TYR 30.A OH GLY 7.A O no hydrogen 2.714 N/A GLN 31.A N ILE 83.A O no hydrogen 2.722 N/A GLN 31.A NE2 GLN 85.A OE1 no hydrogen 2.948 N/A HIS 35.A N TYR 33.A O no hydrogen 3.060 N/A HIS 35.A ND1 GLY 36.A O no hydrogen 2.767 N/A SER 38.A N TYR 43.A OH no hydrogen 3.003 N/A SER 38.A OG THR 69.A OG1 no hydrogen 3.046 N/A ALA 42.A N PRO 39.A O no hydrogen 3.026 N/A TYR 43.A N VAL 40.A O no hydrogen 2.833 N/A TYR 43.A OH THR 69.A O no hydrogen 3.119 N/A TYR 43.A OH THR 69.A OG1 no hydrogen 2.677 N/A VAL 44.A N VAL 40.A O no hydrogen 2.834 N/A ASN 45.A N LYS 63.A O no hydrogen 3.050 N/A SER 47.A N GLY 61.A O no hydrogen 2.998 N/A ASP 49.A N SER 47.A OG no hydrogen 3.025 N/A TYR 50.A N SER 47.A O no hydrogen 2.958 N/A LYS 51.A NZ ASP 55.A O no hydrogen 3.032 N/A LYS 51.A NZ SER 58.A O no hydrogen 2.627 N/A ASN 52.A N SER 227.A OG no hydrogen 2.985 N/A ASN 52.A ND2 GLY 183.A O no hydrogen 3.012 N/A ALA 54.A N ASN 52.A OD1 no hydrogen 2.921 N/A ASP 55.A N ASN 52.A O no hydrogen 2.997 N/A THR 56.A OG1 GLN 245.A OE1 no hydrogen 2.782 N/A GLY 57.A N ASP 55.A OD1 no hydrogen 2.802 N/A SER 58.A N ASP 55.A O no hydrogen 3.236 N/A SER 58.A OG ASP 55.A OD2 no hydrogen 2.530 N/A ARG 59.A N ASN 10.A OD1 no hydrogen 2.922 N/A ARG 59.A NH2 ASN 10.A O no hydrogen 2.970 N/A ARG 59.A NH2 MET 12.A O no hydrogen 2.853 N/A GLY 61.A N SER 47.A O no hydrogen 2.873 N/A ALA 62.A N TRP 226.A O no hydrogen 2.770 N/A LYS 63.A N ASN 45.A O no hydrogen 2.716 N/A ILE 64.A N PHE 224.A O no hydrogen 2.701 N/A THR 65.A N TYR 43.A O no hydrogen 2.804 N/A THR 65.A OG1 ASP 223.A OD1 no hydrogen 2.752 N/A LEU 66.A N GLU 222.A O no hydrogen 2.920 N/A THR 69.A N ASP 67.A OD1 no hydrogen 2.687 N/A THR 69.A OG1 SER 38.A OG no hydrogen 3.046 N/A THR 69.A OG1 TYR 43.A OH no hydrogen 2.677 N/A THR 69.A OG1 ASP 67.A OD1 no hydrogen 2.650 N/A THR 69.A OG1 ASP 67.A OD2 no hydrogen 3.500 N/A ALA 70.A N ASP 67.A O no hydrogen 3.188 N/A TYR 71.A N THR 69.A O no hydrogen 2.761 N/A TYR 71.A OH ASP 219.A OD1 no hydrogen 3.366 N/A TYR 71.A OH ASP 219.A OD2 no hydrogen 2.510 N/A GLN 75.A N TRP 72.A O no hydrogen 3.098 N/A ARG 78.A N GLU 211.A O no hydrogen 3.032 N/A ARG 78.A NE ASP 67.A O no hydrogen 3.481 N/A ARG 78.A NH1 GLU 211.A OE1 no hydrogen 2.834 N/A ARG 78.A NH1 SER 220.A O no hydrogen 3.065 N/A ARG 78.A NH2 SER 220.A O no hydrogen 3.223 N/A ARG 79.A N ALA 70.A O no hydrogen 2.936 N/A ARG 79.A NE GLU 81.A OE1 no hydrogen 3.380 N/A ARG 79.A NE GLU 81.A OE2 no hydrogen 2.707 N/A ARG 79.A NH1 GLN 75.A OE1 no hydrogen 2.923 N/A ARG 79.A NH2 GLU 81.A OE1 no hydrogen 2.863 N/A ARG 79.A NH2 GLU 81.A OE2 no hydrogen 3.552 N/A THR 80.A N VAL 209.A O no hydrogen 3.191 N/A THR 80.A OG1 THR 65.A O no hydrogen 2.940 N/A GLU 81.A N ILE 34.A O no hydrogen 3.083 N/A LEU 82.A N VAL 207.A O no hydrogen 2.846 N/A ILE 83.A N GLN 31.A O no hydrogen 3.278 N/A GLN 85.A N PRO 29.A O no hydrogen 2.947 N/A ALA 88.A N THR 86.A OG1 no hydrogen 2.881 N/A ILE 90.A N ALA 88.A O no hydrogen 2.806 N/A ASN 91.A ND2 SER 200.A O no hydrogen 2.889 N/A LYS 94.A NZ TYR 96.A OH no hydrogen 2.604 N/A VAL 95.A N ILE 169.A O no hydrogen 2.863 N/A TYR 96.A N GLU 232.A O no hydrogen 2.903 N/A TYR 97.A N TYR 167.A O no hydrogen 2.938 N/A TYR 97.A OH ILE 90.A O no hydrogen 2.608 N/A HIS 98.A N TYR 230.A O no hydrogen 2.800 N/A HIS 98.A NE2 THR 237.A O no hydrogen 3.259 N/A PHE 99.A N VAL 165.A O no hydrogen 3.075 N/A SER 100.A N SER 227.A O no hydrogen 2.869 N/A LEU 101.A N HIS 163.A O no hydrogen 2.826 N/A MET 102.A N TYR 225.A O no hydrogen 2.928 N/A ARG 103.A NE TRP 157.A O no hydrogen 3.037 N/A ARG 103.A NH1 LYS 104.A O no hydrogen 3.209 N/A ARG 103.A NH1 ASP 105.A OD1 no hydrogen 3.321 N/A ARG 103.A NH2 TRP 157.A O no hydrogen 2.896 N/A ASN 107.A ND2 ASP 223.A OD2 no hydrogen 2.835 N/A ARG 113.A N ALA 110.A O no hydrogen 3.446 N/A ARG 113.A NE LEU 212.A O no hydrogen 2.844 N/A ARG 113.A NH1 ASP 219.A OD1 no hydrogen 2.758 N/A ARG 113.A NH2 LEU 212.A O no hydrogen 3.517 N/A ARG 113.A NH2 ASP 219.A OD1 no hydrogen 3.247 N/A HIS 115.A N SER 129.A O no hydrogen 2.897 N/A HIS 115.A NE2 GLU 222.A OE1 no hydrogen 2.685 N/A GLN 116.A N LEU 210.A O no hydrogen 2.856 N/A GLN 116.A NE2 GLU 114.A OE2 no hydrogen 2.919 N/A ILE 117.A N LEU 127.A O no hydrogen 2.828 N/A ALA 118.A N GLY 208.A O no hydrogen 3.220 N/A PHE 120.A N THR 125.A O no hydrogen 3.454 N/A GLU 121.A N ASP 204.A O no hydrogen 2.910 N/A HIS 123.A N PHE 120.A O no hydrogen 2.875 N/A THR 125.A OG1 CYS 146.A O no hydrogen 2.910 N/A GLU 126.A N CYS 146.A O no hydrogen 3.300 N/A LEU 127.A N ILE 117.A O no hydrogen 2.858 N/A LYS 128.A N ARG 144.A O no hydrogen 2.888 N/A LYS 128.A NZ GLU 114.A OE2 no hydrogen 2.845 N/A SER 129.A N HIS 115.A O no hydrogen 3.092 N/A SER 129.A OG HIS 115.A ND1 no hydrogen 3.345 N/A TRP 131.A N THR 111.A O no hydrogen 2.808 N/A TRP 131.A NE1 GLY 134.A O no hydrogen 3.005 N/A GLY 137.A N ASP 140.A OD2 no hydrogen 2.772 N/A ASP 140.A N GLY 137.A O no hydrogen 2.959 N/A THR 141.A N ILE 138.A O no hydrogen 3.511 N/A THR 141.A OG1 ILE 138.A O no hydrogen 3.101 N/A THR 141.A OG1 GLU 156.A OE1 no hydrogen 2.708 N/A THR 141.A OG1 GLU 156.A OE2 no hydrogen 3.213 N/A LEU 142.A N SER 139.A O no hydrogen 3.228 N/A LEU 143.A N VAL 155.A O no hydrogen 2.760 N/A ARG 144.A N LYS 128.A O no hydrogen 2.877 N/A ARG 144.A NE THR 151.A OG1 no hydrogen 2.991 N/A ARG 144.A NH2 THR 151.A OG1 no hydrogen 3.186 N/A TRP 145.A N TRP 153.A O no hydrogen 2.904 N/A CYS 146.A N GLU 126.A O no hydrogen 2.950 N/A VAL 147.A N GLN 150.A O no hydrogen 2.944 N/A GLY 148.A N PHE 124.A O no hydrogen 2.848 N/A GLN 150.A N VAL 147.A O no hydrogen 2.983 N/A GLN 152.A N TRP 145.A O no hydrogen 2.879 N/A VAL 155.A N LEU 143.A O no hydrogen 2.937 N/A TRP 157.A N THR 141.A O no hydrogen 2.958 N/A ASP 160.A N ARG 103.A O no hydrogen 2.795 N/A HIS 163.A N LEU 101.A O no hydrogen 2.872 N/A ASN 164.A N SER 181.A O no hydrogen 2.849 N/A ASN 164.A ND2 SER 100.A OG no hydrogen 2.771 N/A VAL 165.A N PHE 99.A O no hydrogen 2.827 N/A ALA 166.A N TRP 179.A O no hydrogen 2.996 N/A TYR 167.A N TYR 97.A O no hydrogen 2.856 N/A TYR 167.A OH ALA 118.A O no hydrogen 2.843 N/A GLU 168.A N GLY 177.A O no hydrogen 2.887 N/A ILE 169.A N VAL 95.A O no hydrogen 2.902 N/A ASP 170.A N THR 175.A O no hydrogen 2.945 N/A PHE 171.A N GLY 93.A O no hydrogen 2.865 N/A ALA 172.A N ASP 170.A OD1 no hydrogen 3.025 N/A ALA 173.A N ASP 170.A OD1 no hydrogen 3.140 N/A GLY 174.A N ASP 170.A O no hydrogen 2.780 N/A THR 175.A N ASP 170.A O no hydrogen 3.169 N/A VAL 176.A N VAL 194.A O no hydrogen 2.883 N/A GLY 177.A N GLU 168.A O no hydrogen 2.754 N/A PHE 178.A N VAL 191.A O no hydrogen 3.032 N/A TRP 179.A N ALA 166.A O no hydrogen 2.957 N/A TRP 179.A NE1 GLU 168.A OE1 no hydrogen 2.822 N/A HIS 180.A N THR 188.A O no hydrogen 3.029 N/A SER 181.A N ASN 164.A O no hydrogen 2.988 N/A SER 181.A OG ASN 164.A OD1 no hydrogen 3.009 N/A SER 181.A OG ASP 185.A O no hydrogen 2.684 N/A GLY 183.A N TRP 162.A O no hydrogen 2.903 N/A ASP 185.A N THR 182.A O no hydrogen 3.437 N/A LEU 187.A N THR 238.A O no hydrogen 2.838 N/A THR 188.A N HIS 180.A O no hydrogen 3.191 N/A ARG 189.A NH2 GLU 168.A OE1 no hydrogen 2.779 N/A LYS 190.A N PHE 178.A O no hydrogen 2.841 N/A VAL 191.A N PHE 178.A O no hydrogen 3.332 N/A VAL 194.A N VAL 176.A O no hydrogen 2.758 N/A THR 196.A N GLY 174.A O no hydrogen 3.148 N/A SER 200.A OG ASP 204.A OD1 no hydrogen 3.200 N/A SER 200.A OG ASP 204.A OD2 no hydrogen 3.215 N/A ASN 201.A N ASP 204.A OD2 no hydrogen 2.841 N/A TRP 205.A NE1 ALA 118.A O no hydrogen 3.061 N/A HIS 206.A N PHE 119.A O no hydrogen 2.768 N/A HIS 206.A ND1 GLU 81.A OE1 no hydrogen 2.486 N/A HIS 206.A NE2 GLU 121.A OE1 no hydrogen 2.911 N/A VAL 207.A N LEU 82.A O no hydrogen 2.789 N/A VAL 209.A N THR 80.A O no hydrogen 3.033 N/A LEU 210.A N GLN 116.A O no hydrogen 2.943 N/A GLU 211.A N ARG 78.A O no hydrogen 2.757 N/A LEU 212.A N GLU 114.A O no hydrogen 2.911 N/A ARG 214.A NE THR 112.A O no hydrogen 2.726 N/A ARG 214.A NH2 TRP 131.A O no hydrogen 2.862 N/A TYR 217.A N ARG 214.A O no hydrogen 3.042 N/A GLU 222.A N LEU 66.A O no hydrogen 3.036 N/A ASP 223.A N ASN 107.A O no hydrogen 2.854 N/A PHE 224.A N ILE 64.A O no hydrogen 2.765 N/A TYR 225.A N MET 102.A O no hydrogen 2.891 N/A TRP 226.A N ALA 62.A O no hydrogen 2.860 N/A SER 227.A N SER 100.A O no hydrogen 3.149 N/A GLY 228.A N SER 58.A OG no hydrogen 3.090 N/A TYR 230.A N HIS 98.A O no hydrogen 3.210 N/A ILE 231.A N TRP 5.A O no hydrogen 2.946 N/A GLU 232.A N TYR 96.A O no hydrogen 3.058 N/A SER 233.A N THR 2.A O no hydrogen 3.009 N/A THR 237.A N GLU 232.A OE2 no hydrogen 2.699 N/A THR 237.A OG1 GLU 232.A OE1 no hydrogen 2.856 N/A THR 237.A OG1 GLU 232.A OE2 no hydrogen 3.534 N/A ALA 241.A N SER 239.A OG no hydrogen 3.139 N/A GLY 242.A N SER 239.A O no hydrogen 3.093 N/A