Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q3b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A N ASP 9.A OD2 no hydrogen 2.838 N/A THR 6.A OG1 ASP 9.A OD2 no hydrogen 2.911 N/A ASP 9.A N THR 6.A O no hydrogen 2.910 N/A LEU 10.A N PRO 7.A O no hydrogen 3.047 N/A MET 15.A N ASN 12.A OD1 no hydrogen 3.179 N/A GLN 16.A N ASN 12.A O no hydrogen 3.029 N/A GLN 16.A NE2 ASP 9.A O no hydrogen 3.104 N/A GLN 16.A NE2 ILE 11.A O no hydrogen 2.725 N/A LEU 17.A N ILE 13.A O no hydrogen 2.827 N/A GLN 18.A N ASN 14.A O no hydrogen 3.005 N/A LYS 19.A N MET 15.A O no hydrogen 2.915 N/A ALA 20.A N GLN 16.A O no hydrogen 3.029 N/A ASP 21.A N LEU 17.A O no hydrogen 2.778 N/A SER 22.A N GLN 18.A O no hydrogen 2.963 N/A SER 22.A OG GLN 18.A O no hydrogen 3.253 N/A ALA 23.A N LYS 19.A O no hydrogen 3.053 N/A VAL 24.A N ALA 20.A O no hydrogen 2.937 N/A GLN 25.A N ASP 21.A O no hydrogen 2.977 N/A GLU 26.A N SER 22.A O no hydrogen 2.939 N/A VAL 27.A N ALA 23.A O no hydrogen 2.960 N/A THR 28.A N VAL 24.A O no hydrogen 2.839 N/A THR 28.A OG1 VAL 24.A O no hydrogen 2.812 N/A GLY 29.A N GLN 25.A O no hydrogen 2.884 N/A LEU 30.A N THR 28.A OG1 no hydrogen 3.028 N/A ILE 32.A N ASP 21.A OD1 no hydrogen 2.830 N/A GLY 34.A N ASP 31.A OD1 no hydrogen 2.843 N/A ILE 35.A N ASP 31.A O no hydrogen 2.922 N/A CYS 36.A N ILE 32.A O no hydrogen 2.937 N/A CYS 36.A SG ILE 32.A O no hydrogen 3.582 N/A LYS 37.A N LYS 33.A O no hydrogen 2.853 N/A ALA 38.A N GLY 34.A O no hydrogen 2.875 N/A LEU 39.A N ILE 35.A O no hydrogen 3.038 N/A TYR 40.A N CYS 36.A O no hydrogen 2.963 N/A TYR 40.A OH SER 254.A OG no hydrogen 2.768 N/A GLY 41.A N LYS 37.A O no hydrogen 2.851 N/A THR 42.A OG1 TYR 257.A O no hydrogen 2.805 N/A SER 44.A OG PHE 75.A O no hydrogen 2.736 N/A SER 45.A N GLU 47.A OE1 no hydrogen 2.774 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.846 N/A LYS 48.A N GLU 99.A OE2 no hydrogen 2.817 N/A LYS 48.A NZ ASN 96.A O no hydrogen 2.653 N/A VAL 49.A N ASP 78.A O no hydrogen 2.963 N/A GLY 50.A N ILE 100.A O no hydrogen 2.865 N/A ILE 51.A N PHE 80.A O no hydrogen 2.860 N/A VAL 52.A N LEU 102.A O no hydrogen 3.020 N/A THR 55.A N ASP 86.A OD1 no hydrogen 2.867 N/A THR 55.A OG1 ASP 86.A OD1 no hydrogen 3.346 N/A THR 55.A OG1 ASP 86.A OD2 no hydrogen 2.509 N/A ASN 58.A N ASP 106.A OD2 no hydrogen 2.718 N/A GLY 59.A N SER 56.A O no hydrogen 2.964 N/A ASN 63.A ND2 PRO 7.A O no hydrogen 3.121 N/A PHE 64.A N ILE 61.A O no hydrogen 2.938 N/A SER 67.A N ASN 63.A O no hydrogen 2.843 N/A SER 67.A OG ASN 63.A O no hydrogen 2.733 N/A LEU 68.A N PHE 64.A O no hydrogen 3.015 N/A HIS 69.A N SER 65.A O no hydrogen 2.849 N/A ALA 70.A N ALA 66.A O no hydrogen 3.071 N/A ILE 71.A N SER 67.A O no hydrogen 2.786 N/A THR 72.A N LEU 68.A O no hydrogen 2.970 N/A THR 72.A OG1 LEU 68.A O no hydrogen 2.678 N/A THR 72.A OG1 HIS 69.A O no hydrogen 3.002 N/A THR 72.A OG1 SER 79.A OG no hydrogen 2.718 N/A GLN 73.A N HIS 69.A O no hydrogen 3.178 N/A GLN 73.A NE2 SER 79.A O no hydrogen 3.330 N/A GLN 73.A NE2 SER 79.A OG no hydrogen 3.169 N/A TYR 74.A N ALA 70.A O no hydrogen 2.838 N/A TYR 74.A OH ASP 21.A OD2 no hydrogen 2.707 N/A PHE 75.A N ILE 71.A O no hydrogen 3.141 N/A GLY 76.A N GLN 73.A O no hydrogen 2.853 N/A PHE 77.A N THR 72.A O no hydrogen 2.887 N/A ASP 78.A N GLU 47.A O no hydrogen 2.872 N/A SER 79.A OG HIS 69.A O no hydrogen 3.351 N/A SER 79.A OG THR 72.A OG1 no hydrogen 2.718 N/A PHE 80.A N VAL 49.A O no hydrogen 2.946 N/A THR 82.A N ILE 51.A O no hydrogen 3.064 N/A THR 82.A OG1 ILE 51.A O no hydrogen 3.476 N/A THR 82.A OG1 MET 84.A O no hydrogen 2.865 N/A ASP 83.A N GLU 92.A OE1 no hydrogen 2.867 N/A MET 84.A N GLU 92.A OE2 no hydrogen 3.011 N/A ASP 86.A N PRO 53.A O no hydrogen 2.913 N/A GLY 89.A N PRO 85.A O no hydrogen 2.859 N/A TYR 90.A N ASP 86.A O no hydrogen 2.889 N/A TYR 91.A N VAL 87.A O no hydrogen 2.935 N/A GLU 92.A N SER 88.A O no hydrogen 3.060 N/A ALA 93.A N GLY 89.A O no hydrogen 2.875 N/A VAL 94.A N TYR 90.A O no hydrogen 3.080 N/A GLN 95.A N TYR 91.A O no hydrogen 2.819 N/A ASN 96.A N GLU 92.A O no hydrogen 2.888 N/A ASN 96.A ND2 GLU 92.A O no hydrogen 2.804 N/A GLY 97.A N VAL 94.A O no hydrogen 3.080 N/A ALA 98.A N ALA 93.A O no hydrogen 3.098 N/A GLU 99.A N LYS 48.A O no hydrogen 2.853 N/A ILE 100.A N LYS 48.A O no hydrogen 3.056 N/A ILE 101.A N HIS 112.A O no hydrogen 2.860 N/A LEU 102.A N GLY 50.A O no hydrogen 2.846 N/A MET 103.A N LEU 110.A O no hydrogen 3.259 N/A ASP 105.A N THR 108.A O no hydrogen 2.895 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 2.923 N/A THR 108.A N ASP 105.A OD1 no hydrogen 2.867 N/A LEU 110.A N MET 103.A O no hydrogen 2.961 N/A ALA 111.A N ALA 120.A O no hydrogen 3.103 N/A HIS 112.A N ILE 101.A O no hydrogen 2.943 N/A ASN 113.A N LYS 118.A O no hydrogen 2.863 N/A ASN 113.A ND2 VAL 259.A O no hydrogen 2.730 N/A LEU 114.A N GLU 99.A O no hydrogen 2.736 N/A LYS 115.A N ASN 113.A OD1 no hydrogen 2.854 N/A ASN 116.A N ASN 113.A OD1 no hydrogen 3.262 N/A ASN 116.A ND2 VAL 259.A O no hydrogen 2.907 N/A GLY 117.A N ASN 113.A O no hydrogen 2.869 N/A LYS 118.A N ASN 116.A OD1 no hydrogen 2.899 N/A LYS 118.A NZ LEU 260.A O no hydrogen 3.560 N/A ALA 120.A N ALA 111.A O no hydrogen 2.786 N/A ASN 122.A N PHE 109.A O no hydrogen 2.791 N/A GLN 123.A N ASN 121.A OD1 no hydrogen 3.090 N/A CYS 125.A N ASN 121.A O no hydrogen 3.339 N/A CYS 125.A SG ASN 121.A O no hydrogen 3.403 N/A THR 126.A N ASN 122.A O no hydrogen 2.787 N/A THR 126.A OG1 ASN 122.A O no hydrogen 2.751 N/A GLY 127.A N GLN 123.A O no hydrogen 3.005 N/A ILE 128.A N PRO 124.A O no hydrogen 2.905 N/A ILE 129.A N CYS 125.A O no hydrogen 3.191 N/A TYR 130.A N THR 126.A O no hydrogen 3.090 N/A ALA 131.A N GLY 127.A O no hydrogen 2.992 N/A GLU 132.A N ILE 128.A O no hydrogen 2.733 N/A ILE 133.A N ILE 129.A O no hydrogen 2.859 N/A ALA 134.A N TYR 130.A O no hydrogen 3.218 N/A SER 135.A N ALA 131.A O no hydrogen 3.015 N/A SER 135.A OG ALA 131.A O no hydrogen 3.494 N/A SER 135.A OG GLU 132.A O no hydrogen 2.796 N/A ARG 136.A N GLU 132.A O no hydrogen 3.179 N/A ARG 136.A N ILE 133.A O no hydrogen 3.142 N/A ARG 136.A NH2 GLU 132.A OE1 no hydrogen 3.221 N/A TYR 137.A N ALA 134.A O no hydrogen 3.108 N/A LEU 138.A N VAL 27.A O no hydrogen 2.997 N/A ALA 140.A N TYR 137.A O no hydrogen 3.183 N/A LYS 143.A NZ ASP 165.A O no hydrogen 2.977 N/A LYS 143.A NZ ASP 165.A OD2 no hydrogen 2.992 N/A ASP 144.A N SER 142.A OG no hydrogen 3.254 N/A VAL 145.A N ARG 167.A O no hydrogen 2.930 N/A LEU 146.A N ILE 200.A O no hydrogen 3.170 N/A VAL 147.A N TYR 169.A O no hydrogen 2.810 N/A VAL 148.A N PHE 202.A O no hydrogen 2.966 N/A GLY 149.A N TYR 171.A O no hydrogen 2.903 N/A LEU 150.A N ASP 172.A OD2 no hydrogen 2.867 N/A PHE 155.A N GLY 151.A O no hydrogen 2.954 N/A GLY 157.A N VAL 153.A O no hydrogen 3.397 N/A ALA 158.A N GLY 154.A O no hydrogen 2.917 N/A GLU 159.A N PHE 155.A O no hydrogen 2.932 N/A HIS 160.A N PRO 156.A O no hydrogen 3.040 N/A HIS 160.A NE2 GLU 132.A OE2 no hydrogen 2.694 N/A LEU 161.A N GLY 157.A O no hydrogen 3.053 N/A VAL 162.A N ALA 158.A O no hydrogen 2.882 N/A GLN 163.A N GLU 159.A O no hydrogen 2.927 N/A LYS 164.A N HIS 160.A O no hydrogen 2.821 N/A ASP 165.A N VAL 162.A O no hydrogen 3.030 N/A PHE 166.A N LEU 161.A O no hydrogen 3.083 N/A ARG 167.A N LYS 143.A O no hydrogen 2.795 N/A TYR 169.A N VAL 145.A O no hydrogen 2.793 N/A GLY 170.A N ILE 188.A O no hydrogen 2.770 N/A TYR 171.A N VAL 147.A O no hydrogen 2.943 N/A ASP 174.A N ASP 172.A OD1 no hydrogen 2.849 N/A THR 176.A N ASP 174.A OD1 no hydrogen 2.944 N/A LEU 178.A N ASP 174.A O no hydrogen 3.143 N/A GLU 179.A N GLU 175.A O no hydrogen 2.885 N/A ARG 180.A N THR 176.A O no hydrogen 2.896 N/A ALA 181.A N LEU 177.A O no hydrogen 2.985 N/A THR 182.A N LEU 178.A O no hydrogen 2.965 N/A THR 182.A OG1 LEU 178.A O no hydrogen 3.495 N/A THR 182.A OG1 GLU 179.A O no hydrogen 2.912 N/A SER 183.A N GLU 179.A O no hydrogen 2.963 N/A SER 183.A OG GLU 179.A O no hydrogen 2.986 N/A SER 183.A OG GLU 179.A OE1 no hydrogen 3.417 N/A SER 183.A OG ARG 180.A O no hydrogen 3.490 N/A SER 183.A OG ASN 184.A OD1 no hydrogen 3.329 N/A ASN 184.A N ARG 180.A O no hydrogen 2.992 N/A LEU 185.A N ALA 181.A O no hydrogen 2.776 N/A GLY 186.A N THR 182.A O no hydrogen 3.022 N/A ILE 188.A N VAL 168.A O no hydrogen 2.981 N/A PHE 190.A N GLY 170.A O no hydrogen 2.741 N/A ALA 193.A N ASP 191.A OD1 no hydrogen 2.994 N/A ASN 194.A N ASP 191.A O no hydrogen 2.960 N/A LYS 196.A NZ ASP 144.A OD2 no hydrogen 2.707 N/A PHE 198.A N VAL 215.A O no hydrogen 2.765 N/A SER 199.A OG ALA 140.A O no hydrogen 2.898 N/A ILE 201.A N VAL 221.A O no hydrogen 2.904 N/A PHE 202.A N LEU 146.A O no hydrogen 2.860 N/A GLU 203.A N SER 223.A O no hydrogen 2.997 N/A ALA 204.A N VAL 148.A O no hydrogen 2.881 N/A THR 205.A N GLU 203.A OE2 no hydrogen 3.043 N/A ASN 209.A N CYS 229.A O no hydrogen 3.371 N/A THR 210.A OG1 GLU 203.A OE1 no hydrogen 2.731 N/A ILE 211.A N ALA 230.A O no hydrogen 3.209 N/A VAL 215.A N PRO 212.A O no hydrogen 3.046 N/A LEU 216.A N GLU 213.A O no hydrogen 3.044 N/A SER 217.A OG PHE 198.A O no hydrogen 2.873 N/A ASN 219.A N TYR 239.A O no hydrogen 2.851 N/A CYS 220.A N SER 217.A O no hydrogen 3.257 N/A CYS 220.A SG SER 217.A O no hydrogen 3.195 N/A VAL 221.A N SER 199.A O no hydrogen 2.887 N/A LEU 222.A N GLN 242.A O no hydrogen 3.127 N/A SER 223.A N ILE 201.A O no hydrogen 2.923 N/A SER 223.A OG TYR 130.A O no hydrogen 2.664 N/A THR 224.A N ILE 244.A O no hydrogen 2.848 N/A THR 224.A OG1 GLU 203.A O no hydrogen 2.688 N/A THR 224.A OG1 GLU 203.A OE2 no hydrogen 2.842 N/A GLY 226.A N THR 224.A OG1 no hydrogen 3.149 N/A CYS 229.A SG ILE 231.A O no hydrogen 3.474 N/A LEU 235.A N SER 232.A OG no hydrogen 3.305 N/A ARG 236.A N SER 232.A O no hydrogen 2.947 N/A ASP 237.A N GLU 233.A O no hydrogen 2.761 N/A LYS 238.A N GLU 234.A O no hydrogen 2.847 N/A LYS 238.A NZ GLU 213.A OE1 no hydrogen 2.653 N/A TYR 239.A N LEU 235.A O no hydrogen 3.188 N/A TYR 239.A OH GLU 213.A OE1 no hydrogen 2.578 N/A GLU 240.A N ASP 237.A O no hydrogen 3.037 N/A VAL 241.A N ARG 236.A O no hydrogen 2.920 N/A GLN 242.A N CYS 220.A O no hydrogen 2.849 N/A GLN 242.A NE2 ASN 219.A O no hydrogen 2.726 N/A ILE 244.A N LEU 222.A O no hydrogen 2.992 N/A LEU 248.A N GLU 246.A OE1 no hydrogen 3.370 N/A LEU 248.A N GLU 246.A OE2 no hydrogen 3.166 N/A GLY 249.A N GLU 246.A OE2 no hydrogen 2.667 N/A ILE 250.A N GLU 246.A OE1 no hydrogen 2.853 N/A THR 252.A N LEU 248.A O no hydrogen 3.027 N/A THR 252.A OG1 LEU 248.A O no hydrogen 2.704 N/A ALA 253.A N GLY 249.A O no hydrogen 2.912 N/A SER 254.A N ILE 250.A O no hydrogen 3.040 N/A SER 254.A OG TYR 40.A OH no hydrogen 2.768 N/A SER 254.A OG CYS 125.A O no hydrogen 2.694 N/A MET 255.A N GLY 251.A O no hydrogen 3.088 N/A LEU 256.A N THR 252.A O no hydrogen 2.953 N/A TYR 257.A N ALA 253.A O no hydrogen 2.859 N/A SER 258.A N SER 254.A O no hydrogen 3.052 N/A SER 258.A OG MET 255.A O no hydrogen 2.856 N/A VAL 259.A N LEU 256.A O no hydrogen 3.212 N/A