Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mdd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N THR 2.A OG1 no hydrogen 3.232 N/A SER 5.A OG THR 2.A O no hydrogen 2.665 N/A LEU 7.A N LEU 3.A O no hydrogen 3.356 N/A GLU 8.A N VAL 4.A O no hydrogen 2.922 N/A THR 9.A N SER 5.A O no hydrogen 3.057 N/A THR 9.A OG1 SER 5.A O no hydrogen 3.177 N/A ILE 10.A N ALA 6.A O no hydrogen 3.011 N/A SER 22.A N ASP 20.A OD1 no hydrogen 3.410 N/A VAL 23.A N ASP 20.A O no hydrogen 3.289 N/A TRP 28.A N PRO 24.A O no hydrogen 2.966 N/A ARG 29.A N ASP 25.A O no hydrogen 2.876 N/A ILE 30.A N SER 26.A O no hydrogen 2.956 N/A MET 31.A N THR 27.A O no hydrogen 2.976 N/A THR 32.A N TRP 28.A O no hydrogen 3.061 N/A THR 32.A OG1 TRP 28.A O no hydrogen 2.866 N/A THR 33.A N ARG 29.A O no hydrogen 2.869 N/A THR 33.A OG1 ARG 29.A O no hydrogen 2.560 N/A LEU 34.A N ILE 30.A O no hydrogen 2.833 N/A ASN 35.A N MET 31.A O no hydrogen 3.186 N/A MET 36.A N THR 32.A O no hydrogen 3.231 N/A LEU 37.A N THR 33.A O no hydrogen 3.009 N/A GLY 38.A N LEU 34.A O no hydrogen 2.882 N/A GLY 39.A N ASN 35.A O no hydrogen 3.238 N/A ARG 40.A N MET 36.A O no hydrogen 3.269 N/A GLN 41.A N LEU 37.A O no hydrogen 2.800 N/A VAL 42.A N GLY 38.A O no hydrogen 2.984 N/A ILE 43.A N GLY 39.A O no hydrogen 3.360 N/A ALA 44.A N ARG 40.A O no hydrogen 2.909 N/A ALA 45.A N GLN 41.A O no hydrogen 2.961 N/A VAL 46.A N VAL 42.A O no hydrogen 3.030 N/A LYS 47.A N ILE 43.A O no hydrogen 3.184 N/A TRP 48.A N ALA 44.A O no hydrogen 2.935 N/A ALA 49.A N ALA 45.A O no hydrogen 2.935 N/A LYS 50.A N VAL 46.A O no hydrogen 2.981 N/A ALA 51.A N TRP 48.A O no hydrogen 3.107 N/A ILE 52.A N ALA 49.A O no hydrogen 2.974 N/A PHE 55.A N ILE 52.A O no hydrogen 3.036 N/A ASN 57.A N GLY 54.A O no hydrogen 3.105 N/A LEU 58.A N PHE 55.A O no hydrogen 3.145 N/A HIS 59.A N SER 153.A OG no hydrogen 3.071 N/A ASP 61.A N HIS 59.A ND1 no hydrogen 3.000 N/A ASP 62.A N HIS 59.A O no hydrogen 2.961 N/A GLN 63.A N HIS 59.A O no hydrogen 3.108 N/A GLN 63.A NE2 LEU 58.A O no hydrogen 2.716 N/A MET 64.A N LEU 60.A O no hydrogen 3.137 N/A THR 65.A N ASP 61.A O no hydrogen 3.054 N/A THR 65.A OG1 ASP 61.A O no hydrogen 2.707 N/A LEU 66.A N ASP 62.A O no hydrogen 2.804 N/A LEU 67.A N GLN 63.A O no hydrogen 3.153 N/A GLN 68.A N MET 64.A O no hydrogen 2.921 N/A GLN 68.A NE2 MET 64.A O no hydrogen 3.666 N/A TYR 69.A N THR 65.A O no hydrogen 3.001 N/A SER 70.A N LEU 66.A O no hydrogen 3.067 N/A SER 70.A OG LEU 66.A O no hydrogen 2.775 N/A TRP 71.A N LEU 67.A O no hydrogen 3.087 N/A TYR 73.A OH HIS 197.A ND1 no hydrogen 2.743 N/A LEU 74.A N SER 70.A O no hydrogen 3.090 N/A MET 75.A N TRP 71.A O no hydrogen 3.034 N/A ALA 76.A N MET 72.A O no hydrogen 2.795 N/A PHE 77.A N TYR 73.A O no hydrogen 2.961 N/A ALA 78.A N LEU 74.A O no hydrogen 3.020 N/A LEU 79.A N MET 75.A O no hydrogen 2.934 N/A GLY 80.A N ALA 76.A O no hydrogen 3.095 N/A TRP 81.A N PHE 77.A O no hydrogen 2.970 N/A ARG 82.A N ALA 78.A O no hydrogen 3.040 N/A ARG 82.A NE CYS 93.A O no hydrogen 3.116 N/A ARG 82.A NH2 CYS 93.A O no hydrogen 3.284 N/A SER 83.A N LEU 79.A O no hydrogen 2.992 N/A SER 83.A OG LEU 79.A O no hydrogen 2.796 N/A SER 83.A OG LEU 91.A O no hydrogen 3.242 N/A TYR 84.A N GLY 80.A O no hydrogen 3.090 N/A TYR 84.A N TRP 81.A O no hydrogen 3.262 N/A TYR 84.A OH VAL 129.A O no hydrogen 3.370 N/A ARG 85.A N TRP 81.A O no hydrogen 2.999 N/A GLN 86.A N ARG 82.A O no hydrogen 2.945 N/A SER 87.A N SER 83.A O no hydrogen 3.280 N/A SER 87.A OG SER 83.A O no hydrogen 2.734 N/A SER 87.A OG LEU 91.A O no hydrogen 3.133 N/A SER 88.A N TYR 84.A O no hydrogen 2.904 N/A ALA 89.A N SER 83.A O no hydrogen 3.009 N/A ASN 90.A N SER 87.A O no hydrogen 3.313 N/A ASN 90.A N SER 87.A OG no hydrogen 3.250 N/A ASN 90.A ND2 SER 87.A O no hydrogen 2.787 N/A LEU 91.A N SER 87.A OG no hydrogen 2.941 N/A LEU 92.A N ILE 100.A O no hydrogen 3.236 N/A CYS 93.A N SER 83.A OG no hydrogen 2.868 N/A CYS 93.A SG ARG 82.A O no hydrogen 4.032 N/A CYS 93.A SG LEU 91.A O no hydrogen 3.740 N/A ALA 95.A N LEU 98.A O no hydrogen 3.133 N/A LEU 98.A N ALA 95.A O no hydrogen 2.954 N/A ILE 100.A N LEU 92.A O no hydrogen 2.983 N/A ARG 104.A N ASN 101.A O no hydrogen 2.897 N/A TYR 111.A N LEU 107.A O no hydrogen 3.161 N/A ASP 112.A N PRO 108.A O no hydrogen 2.851 N/A GLN 113.A N ASP 109.A O no hydrogen 3.354 N/A GLN 113.A NE2 ASP 109.A O no hydrogen 2.761 N/A CYS 114.A N MET 110.A O no hydrogen 2.914 N/A CYS 114.A SG MET 110.A O no hydrogen 3.325 N/A LYS 115.A N TYR 111.A O no hydrogen 2.818 N/A HIS 116.A N ASP 112.A O no hydrogen 2.929 N/A MET 117.A N GLN 113.A O no hydrogen 2.777 N/A LEU 118.A N CYS 114.A O no hydrogen 2.656 N/A TYR 119.A N LYS 115.A O no hydrogen 2.867 N/A SER 121.A N MET 117.A O no hydrogen 3.467 N/A SER 121.A OG GLY 80.A O no hydrogen 2.711 N/A SER 122.A N LEU 118.A O no hydrogen 2.636 N/A SER 122.A OG LEU 118.A O no hydrogen 3.140 N/A SER 122.A OG TYR 119.A O no hydrogen 3.052 N/A GLU 123.A N TYR 119.A O no hydrogen 2.940 N/A LEU 124.A N VAL 120.A O no hydrogen 3.024 N/A HIS 125.A N SER 121.A O no hydrogen 2.993 N/A ARG 126.A N SER 122.A O no hydrogen 2.700 N/A ARG 126.A NE GLU 123.A OE1 no hydrogen 2.711 N/A ARG 126.A NE GLU 123.A OE2 no hydrogen 3.314 N/A ARG 126.A NH2 GLU 123.A OE2 no hydrogen 2.820 N/A LEU 127.A N GLU 123.A O no hydrogen 3.018 N/A GLN 128.A N HIS 125.A O no hydrogen 2.870 N/A GLN 128.A NE2 HIS 125.A O no hydrogen 2.732 N/A VAL 129.A N LEU 124.A O no hydrogen 3.134 N/A SER 130.A N GLU 133.A OE1 no hydrogen 2.792 N/A SER 130.A OG GLU 132.A OE1 no hydrogen 3.556 N/A SER 130.A OG GLU 133.A OE1 no hydrogen 2.817 N/A GLU 133.A N SER 130.A OG no hydrogen 3.403 N/A TYR 134.A N SER 130.A O no hydrogen 2.888 N/A LEU 135.A N TYR 131.A O no hydrogen 2.947 N/A CYS 136.A N GLU 132.A O no hydrogen 3.303 N/A CYS 136.A SG GLU 132.A O no hydrogen 3.191 N/A CYS 136.A SG GLU 167.A O no hydrogen 3.478 N/A MET 137.A N GLU 133.A O no hydrogen 2.849 N/A LYS 138.A N TYR 134.A O no hydrogen 2.761 N/A THR 139.A N LEU 135.A O no hydrogen 3.235 N/A THR 139.A OG1 LEU 135.A O no hydrogen 2.829 N/A LEU 140.A N CYS 136.A O no hydrogen 3.016 N/A LEU 141.A N MET 137.A O no hydrogen 2.980 N/A LEU 142.A N THR 139.A O no hydrogen 3.316 N/A LEU 143.A N LEU 140.A O no hydrogen 3.005 N/A SER 144.A OG LEU 141.A O no hydrogen 2.718 N/A VAL 146.A N LYS 241.A O no hydrogen 3.027 N/A LYS 148.A N ASN 239.A O no hydrogen 2.851 N/A LYS 148.A NZ ASN 237.A O no hydrogen 3.471 N/A GLY 150.A N PRO 147.A O no hydrogen 2.881 N/A LEU 151.A N GLN 154.A OE1 no hydrogen 2.942 N/A LYS 152.A N ASP 62.A OD1 no hydrogen 2.938 N/A LYS 152.A NZ ASP 61.A OD1 no hydrogen 2.779 N/A SER 153.A N ASP 62.A OD2 no hydrogen 2.657 N/A GLN 154.A NE2 ASP 158.A OD1 no hydrogen 3.023 N/A PHE 157.A N SER 153.A O no hydrogen 2.867 N/A ASP 158.A N GLN 154.A O no hydrogen 2.870 N/A ALA 159.A N ALA 155.A O no hydrogen 3.068 N/A ILE 160.A N LEU 156.A O no hydrogen 2.817 N/A ARG 161.A N PHE 157.A O no hydrogen 2.845 N/A ARG 161.A NE LEU 143.A O no hydrogen 3.276 N/A MET 162.A N ASP 158.A O no hydrogen 2.985 N/A THR 163.A N ALA 159.A O no hydrogen 2.954 N/A THR 163.A OG1 ALA 159.A O no hydrogen 2.718 N/A TYR 164.A N ILE 160.A O no hydrogen 3.009 N/A TYR 164.A OH PRO 53.A O no hydrogen 2.825 N/A ILE 165.A N ARG 161.A O no hydrogen 2.788 N/A LYS 166.A N MET 162.A O no hydrogen 2.821 N/A GLU 167.A N THR 163.A O no hydrogen 2.896 N/A LEU 168.A N TYR 164.A O no hydrogen 2.957 N/A LEU 168.A N ILE 165.A O no hydrogen 2.948 N/A GLY 169.A N ILE 165.A O no hydrogen 3.338 N/A LYS 170.A N LYS 166.A O no hydrogen 3.185 N/A ALA 171.A N GLU 167.A O no hydrogen 3.288 N/A ILE 172.A N LEU 168.A O no hydrogen 3.074 N/A VAL 173.A N GLY 169.A O no hydrogen 3.199 N/A ARG 175.A N ILE 172.A O no hydrogen 3.120 N/A GLU 176.A N VAL 173.A O no hydrogen 3.098 N/A SER 180.A N ASN 178.A OD1 no hydrogen 3.056 N/A ASN 182.A N SER 179.A O no hydrogen 3.339 N/A SER 183.A N SER 179.A O no hydrogen 3.427 N/A ARG 185.A N GLN 181.A O no hydrogen 3.075 N/A ARG 185.A NE GLU 133.A OE2 no hydrogen 2.672 N/A ARG 185.A NH1 LEU 127.A O no hydrogen 2.575 N/A ARG 185.A NH2 LEU 127.A O no hydrogen 2.964 N/A ARG 185.A NH2 GLN 128.A O no hydrogen 3.141 N/A ARG 185.A NH2 GLU 133.A OE1 no hydrogen 2.804 N/A ARG 185.A NH2 GLU 133.A OE2 no hydrogen 3.466 N/A PHE 186.A N ASN 182.A O no hydrogen 3.083 N/A TYR 187.A N SER 183.A O no hydrogen 3.390 N/A GLN 188.A N GLN 184.A O no hydrogen 3.152 N/A LEU 189.A N ARG 185.A O no hydrogen 2.801 N/A THR 190.A N PHE 186.A O no hydrogen 3.026 N/A THR 190.A OG1 PHE 186.A O no hydrogen 2.722 N/A THR 190.A OG1 TYR 187.A O no hydrogen 3.202 N/A THR 190.A OG1 HIS 246.A NE2 no hydrogen 2.925 N/A LYS 191.A N TYR 187.A O no hydrogen 3.045 N/A LEU 192.A N GLN 188.A O no hydrogen 3.142 N/A LEU 193.A N LEU 189.A O no hydrogen 3.065 N/A ASP 194.A N THR 190.A O no hydrogen 2.988 N/A SER 195.A N LYS 191.A O no hydrogen 3.121 N/A SER 195.A OG LEU 192.A O no hydrogen 2.617 N/A MET 196.A N LEU 192.A O no hydrogen 3.311 N/A MET 196.A N LEU 193.A O no hydrogen 3.116 N/A HIS 197.A N ASP 194.A O no hydrogen 3.308 N/A HIS 197.A ND1 TYR 73.A OH no hydrogen 2.743 N/A HIS 197.A NE2 LEU 243.A O no hydrogen 2.777 N/A VAL 199.A N SER 195.A O no hydrogen 3.142 N/A VAL 200.A N MET 196.A O no hydrogen 2.948 N/A GLU 201.A N HIS 197.A O no hydrogen 3.078 N/A ASN 202.A N GLU 198.A O no hydrogen 3.187 N/A LEU 203.A N VAL 199.A O no hydrogen 3.018 N/A LEU 204.A N VAL 200.A O no hydrogen 2.708 N/A ASN 205.A N GLU 201.A O no hydrogen 2.967 N/A TYR 206.A N ASN 202.A O no hydrogen 3.052 N/A CYS 207.A N LEU 203.A O no hydrogen 2.838 N/A CYS 207.A SG LEU 203.A O no hydrogen 3.476 N/A PHE 208.A N LEU 204.A O no hydrogen 2.887 N/A GLN 209.A N ASN 205.A O no hydrogen 2.974 N/A THR 210.A N TYR 206.A O no hydrogen 2.927 N/A THR 210.A OG1 TYR 206.A O no hydrogen 2.743 N/A PHE 211.A N CYS 207.A O no hydrogen 2.866 N/A LEU 212.A N PHE 208.A O no hydrogen 2.896 N/A ASP 213.A N GLN 209.A O no hydrogen 3.047 N/A LYS 214.A N THR 210.A O no hydrogen 2.765 N/A LYS 214.A NZ ASP 213.A OD1 no hydrogen 2.789 N/A THR 215.A N PHE 211.A O no hydrogen 2.847 N/A MET 216.A N PHE 211.A O no hydrogen 2.898 N/A SER 217.A N LEU 212.A O no hydrogen 2.881 N/A SER 217.A OG LEU 212.A O no hydrogen 2.673 N/A GLU 219.A N THR 215.A O no hydrogen 2.713 N/A PHE 220.A N MET 216.A O no hydrogen 2.727 N/A MET 223.A N PHE 220.A O no hydrogen 3.128 N/A ILE 227.A N MET 223.A O no hydrogen 3.153 N/A ILE 228.A N LEU 224.A O no hydrogen 2.849 N/A THR 229.A N ALA 225.A O no hydrogen 3.115 N/A THR 229.A OG1 ALA 225.A O no hydrogen 2.669 N/A ASN 230.A N GLU 226.A O no hydrogen 3.002 N/A GLN 231.A N ILE 227.A O no hydrogen 3.195 N/A ILE 232.A N THR 229.A O no hydrogen 3.122 N/A GLY 238.A N TYR 235.A O no hydrogen 3.323 N/A ASN 239.A ND2 ASP 149.A OD2 no hydrogen 2.968 N/A LYS 241.A N VAL 146.A O no hydrogen 2.797 N/A LEU 243.A N SER 144.A O no hydrogen 2.829 N/A PHE 245.A N ASP 194.A OD1 no hydrogen 2.794 N/A HIS 246.A N ASP 194.A OD2 no hydrogen 2.968 N/A HIS 246.A NE2 THR 190.A OG1 no hydrogen 2.925 N/A GLN 247.A NE2 LEU 244.A O no hydrogen 3.067 N/A