Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2h52_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A N LEU 221.A O no hydrogen 2.807 N/A TYR 3.A OH GLU 223.A OE1 no hydrogen 2.662 N/A LEU 5.A N LEU 219.A O no hydrogen 3.060 N/A ILE 6.A N ILE 182.A O no hydrogen 3.069 N/A MET 7.A N ILE 217.A O no hydrogen 3.155 N/A LEU 8.A N ILE 184.A O no hydrogen 3.052 N/A ARG 9.A NH1 LEU 211.A O no hydrogen 2.760 N/A HIS 10.A ND1 GLY 11.A O no hydrogen 2.818 N/A HIS 10.A NE2 HIS 187.A ND1 no hydrogen 2.953 N/A TRP 15.A N GLN 27.A OE1 no hydrogen 2.860 N/A LYS 17.A N GLY 13.A O no hydrogen 3.266 N/A GLU 18.A N ALA 14.A O no hydrogen 3.248 N/A ASN 19.A N ASN 16.A O no hydrogen 3.081 N/A ASN 19.A ND2 GLN 250.A O no hydrogen 2.935 N/A ARG 20.A N TRP 15.A O no hydrogen 3.152 N/A ARG 20.A NH1 GLY 96.A O no hydrogen 2.993 N/A PHE 21.A N LEU 97.A O no hydrogen 3.037 N/A CYS 22.A SG VAL 25.A O no hydrogen 3.353 N/A SER 23.A OG ARG 89.A O no hydrogen 2.510 N/A TRP 24.A NE1 GLU 88.A O no hydrogen 2.792 N/A VAL 25.A N CYS 22.A O no hydrogen 3.045 N/A GLN 27.A N VAL 25.A O no hydrogen 2.775 N/A ASN 30.A ND2 GLU 12.A O no hydrogen 3.236 N/A GLY 33.A N ASN 30.A OD1 no hydrogen 2.707 N/A MET 34.A N ASN 30.A O no hydrogen 2.968 N/A GLU 35.A N SER 31.A O no hydrogen 3.077 N/A GLU 36.A N GLU 32.A O no hydrogen 2.942 N/A ALA 37.A N GLY 33.A O no hydrogen 3.142 N/A ARG 38.A N MET 34.A O no hydrogen 3.034 N/A ARG 38.A NH1 GLU 35.A OE1 no hydrogen 3.454 N/A ASN 39.A N GLU 35.A O no hydrogen 2.865 N/A CYS 40.A N GLU 36.A O no hydrogen 3.055 N/A CYS 40.A SG GLU 36.A O no hydrogen 3.445 N/A CYS 40.A SG GLY 214.A O no hydrogen 3.153 N/A GLY 41.A N ALA 37.A O no hydrogen 3.005 N/A LYS 42.A N ARG 38.A O no hydrogen 2.972 N/A GLN 43.A N ASN 39.A O no hydrogen 3.045 N/A GLN 43.A NE2 LEU 234.A O no hydrogen 3.251 N/A LEU 44.A N CYS 40.A O no hydrogen 2.968 N/A LYS 45.A N GLY 41.A O no hydrogen 2.867 N/A ALA 46.A N LYS 42.A O no hydrogen 3.021 N/A LEU 47.A N GLN 43.A O no hydrogen 3.131 N/A ASN 48.A N LYS 45.A O no hydrogen 2.777 N/A PHE 49.A N LEU 44.A O no hydrogen 2.939 N/A PHE 51.A N GLN 75.A OE1 no hydrogen 3.003 N/A ASP 52.A N THR 181.A O no hydrogen 2.871 N/A VAL 54.A N PRO 79.A O no hydrogen 2.922 N/A PHE 55.A N LEU 183.A O no hydrogen 2.895 N/A THR 56.A N GLU 81.A O no hydrogen 2.880 N/A THR 56.A OG1 SER 57.A O no hydrogen 2.771 N/A THR 56.A OG1 SER 82.A OG no hydrogen 2.747 N/A SER 57.A N SER 62.A OG no hydrogen 3.079 N/A SER 57.A OG SER 62.A OG no hydrogen 2.902 N/A SER 57.A OG HIS 187.A NE2 no hydrogen 2.759 N/A VAL 58.A N ASN 87.A OD1 no hydrogen 3.155 N/A LEU 59.A N SER 57.A OG no hydrogen 3.106 N/A ASN 60.A N ASP 26.A OD2 no hydrogen 2.779 N/A ARG 61.A NE HIS 10.A NE2 no hydrogen 3.002 N/A ARG 61.A NH1 VAL 25.A O no hydrogen 2.941 N/A ARG 61.A NH2 SER 23.A O no hydrogen 2.687 N/A SER 62.A N LEU 59.A O no hydrogen 3.051 N/A SER 62.A OG SER 57.A OG no hydrogen 2.902 N/A SER 62.A OG LEU 59.A O no hydrogen 3.165 N/A HIS 64.A N ASN 60.A O no hydrogen 2.858 N/A THR 65.A N ARG 61.A O no hydrogen 3.190 N/A THR 65.A OG1 ARG 61.A O no hydrogen 2.761 N/A ALA 66.A N SER 62.A O no hydrogen 3.165 N/A TRP 67.A N ILE 63.A O no hydrogen 2.934 N/A LEU 68.A N HIS 64.A O no hydrogen 2.963 N/A ILE 69.A N THR 65.A O no hydrogen 3.054 N/A LEU 70.A N ALA 66.A O no hydrogen 2.965 N/A GLU 71.A N TRP 67.A O no hydrogen 3.012 N/A GLU 72.A N LEU 68.A O no hydrogen 3.055 N/A LEU 73.A N ILE 69.A O no hydrogen 2.996 N/A GLY 74.A N GLU 71.A O no hydrogen 3.047 N/A GLN 75.A N LEU 70.A O no hydrogen 2.802 N/A GLN 75.A NE2 PHE 49.A O no hydrogen 2.896 N/A GLU 76.A N GLU 76.A OE1 no hydrogen 2.778 N/A VAL 78.A N GLN 75.A O no hydrogen 2.959 N/A GLU 81.A N VAL 54.A O no hydrogen 2.841 N/A SER 82.A OG THR 56.A OG1 no hydrogen 2.747 N/A SER 83.A N THR 56.A O no hydrogen 2.959 N/A TRP 84.A NE1 ASP 145.A OD1 no hydrogen 2.895 N/A ARG 85.A N SER 83.A OG no hydrogen 3.018 N/A ARG 85.A NE ASP 145.A OD2 no hydrogen 2.814 N/A ARG 85.A NH1 ARG 163.A O no hydrogen 2.912 N/A ARG 85.A NH2 ASP 145.A OD1 no hydrogen 3.230 N/A ARG 85.A NH2 ASP 145.A OD2 no hydrogen 3.374 N/A LEU 86.A N SER 83.A O no hydrogen 3.087 N/A ASN 87.A N TRP 84.A O no hydrogen 2.870 N/A ASN 87.A ND2 TYR 141.A OH no hydrogen 3.016 N/A ARG 89.A N GLU 88.A OE1 no hydrogen 2.641 N/A ARG 89.A NH1 GLU 155.A O no hydrogen 2.886 N/A ARG 89.A NH2 TYR 91.A OH no hydrogen 3.032 N/A HIS 90.A N GLU 155.A OE2 no hydrogen 2.874 N/A HIS 90.A NE2 TYR 136.A OH no hydrogen 2.681 N/A TYR 91.A N SER 23.A OG no hydrogen 2.933 N/A GLY 92.A N HIS 90.A ND1 no hydrogen 2.846 N/A ALA 93.A N PRO 123.A O no hydrogen 2.889 N/A LEU 94.A N TYR 91.A O no hydrogen 2.992 N/A ILE 95.A N GLY 92.A O no hydrogen 3.010 N/A GLY 96.A N PHE 21.A O no hydrogen 2.778 N/A LEU 97.A N LEU 94.A O no hydrogen 2.983 N/A ARG 99.A N ASN 19.A O no hydrogen 2.927 N/A ARG 99.A NH1 ASN 19.A OD1 no hydrogen 2.963 N/A GLN 101.A N ASN 98.A OD1 no hydrogen 2.933 N/A GLN 101.A NE2 GLN 101.A O no hydrogen 3.604 N/A GLN 101.A NE2 ASN 105.A OD1 no hydrogen 2.926 N/A MET 102.A N ASN 98.A O no hydrogen 3.012 N/A ALA 103.A N ARG 99.A O no hydrogen 3.077 N/A LEU 104.A N GLU 100.A O no hydrogen 2.996 N/A ASN 105.A N GLN 101.A O no hydrogen 2.848 N/A HIS 106.A N MET 102.A O no hydrogen 2.691 N/A GLY 107.A N ALA 103.A O no hydrogen 2.801 N/A VAL 111.A N GLY 107.A O no hydrogen 3.285 N/A ARG 112.A N GLU 108.A O no hydrogen 2.959 N/A ARG 112.A NH2 ASN 208.A OD1 no hydrogen 3.242 N/A LEU 113.A N GLU 109.A O no hydrogen 3.115 N/A TRP 114.A N GLN 110.A O no hydrogen 2.958 N/A ARG 115.A N VAL 111.A O no hydrogen 2.891 N/A ARG 115.A NH1 VAL 247.A O no hydrogen 3.065 N/A ARG 115.A NH2 VAL 247.A O no hydrogen 2.859 N/A ARG 116.A N ARG 112.A O no hydrogen 2.799 N/A ARG 116.A NE THR 210.A OG1 no hydrogen 3.233 N/A ARG 116.A NH1 ARG 115.A O no hydrogen 3.059 N/A SER 117.A N LEU 113.A O no hydrogen 2.961 N/A SER 117.A OG LEU 113.A O no hydrogen 2.600 N/A VAL 120.A N SER 117.A OG no hydrogen 3.219 N/A ILE 125.A N ARG 153.A O no hydrogen 2.848 N/A HIS 129.A N GLU 126.A O no hydrogen 2.779 N/A HIS 129.A NE2 ILE 95.A O no hydrogen 2.895 N/A TYR 131.A N HIS 129.A ND1 no hydrogen 2.966 N/A TYR 132.A N HIS 129.A O no hydrogen 3.071 N/A ILE 135.A N TYR 132.A O no hydrogen 3.268 N/A TYR 136.A N TYR 132.A O no hydrogen 3.127 N/A TYR 136.A OH HIS 90.A NE2 no hydrogen 2.681 N/A TYR 136.A OH PRO 152.A O no hydrogen 2.564 N/A ASN 137.A N GLN 133.A O no hydrogen 3.016 N/A ASN 137.A ND2 GLN 133.A O no hydrogen 2.948 N/A ARG 140.A N ASP 138.A OD1 no hydrogen 2.846 N/A ARG 140.A NE ASP 138.A OD1 no hydrogen 2.692 N/A ARG 140.A NH1 ASP 26.A OD1 no hydrogen 2.803 N/A ARG 140.A NH1 VAL 58.A O no hydrogen 2.782 N/A ARG 140.A NH2 ASP 138.A OD2 no hydrogen 2.960 N/A TYR 141.A N ASP 138.A O no hydrogen 3.038 N/A LYS 142.A N ARG 139.A O no hydrogen 2.831 N/A LYS 142.A NZ ASN 137.A O no hydrogen 3.291 N/A CYS 144.A SG ARG 140.A O no hydrogen 3.184 N/A GLN 150.A N PRO 147.A O no hydrogen 2.740 N/A LEU 151.A N LEU 148.A O no hydrogen 3.290 N/A ARG 153.A NH1 LEU 148.A O no hydrogen 3.002 N/A ARG 153.A NH1 LEU 151.A O no hydrogen 2.732 N/A ARG 153.A NH2 TYR 132.A OH no hydrogen 3.024 N/A SER 154.A OG PRO 122.A O no hydrogen 2.983 N/A GLU 155.A N HIS 90.A O no hydrogen 2.844 N/A SER 156.A N ASP 159.A OD2 no hydrogen 2.992 N/A LYS 158.A N TYR 118.A O no hydrogen 2.909 N/A ASP 159.A N SER 156.A OG no hydrogen 3.019 N/A VAL 160.A N SER 156.A O no hydrogen 3.110 N/A LEU 161.A N LEU 157.A O no hydrogen 3.023 N/A GLU 162.A N LYS 158.A O no hydrogen 3.008 N/A ARG 163.A N ASP 159.A O no hydrogen 3.237 N/A ARG 163.A N VAL 160.A O no hydrogen 3.143 N/A ARG 163.A NE GLU 155.A OE1 no hydrogen 2.825 N/A ARG 163.A NH1 ARG 85.A O no hydrogen 2.760 N/A ARG 163.A NH1 ASN 87.A O no hydrogen 3.000 N/A ARG 163.A NH2 ASN 87.A O no hydrogen 3.064 N/A ARG 163.A NH2 GLU 88.A O no hydrogen 3.293 N/A ARG 163.A NH2 GLU 155.A OE1 no hydrogen 3.442 N/A ARG 163.A NH2 GLU 155.A OE2 no hydrogen 2.842 N/A LEU 164.A N VAL 160.A O no hydrogen 2.857 N/A LEU 164.A N LEU 161.A O no hydrogen 3.201 N/A LEU 165.A N LEU 161.A O no hydrogen 2.715 N/A TYR 167.A OH GLU 81.A OE1 no hydrogen 2.707 N/A TRP 168.A N LEU 164.A O no hydrogen 3.042 N/A ASN 169.A N LEU 165.A O no hydrogen 2.878 N/A GLU 170.A N PRO 166.A O no hydrogen 2.923 N/A ARG 171.A N TYR 167.A O no hydrogen 2.873 N/A ILE 172.A N TYR 167.A O no hydrogen 3.403 N/A ILE 172.A N TRP 168.A O no hydrogen 3.126 N/A ALA 173.A N TRP 168.A O no hydrogen 2.669 N/A VAL 176.A N ILE 172.A O no hydrogen 3.155 N/A LEU 177.A N ALA 173.A O no hydrogen 2.944 N/A ARG 178.A N GLU 175.A O no hydrogen 3.126 N/A ARG 178.A NE GLU 175.A OE2 no hydrogen 3.135 N/A GLY 179.A N VAL 176.A O no hydrogen 2.950 N/A LYS 180.A N GLU 175.A O no hydrogen 3.080 N/A THR 181.A N ASP 52.A OD1 no hydrogen 2.756 N/A LEU 183.A N LEU 53.A O no hydrogen 3.220 N/A ILE 184.A N ILE 6.A O no hydrogen 2.741 N/A SER 185.A N PHE 55.A O no hydrogen 2.874 N/A SER 185.A OG SER 62.A O no hydrogen 2.690 N/A ALA 186.A N LEU 8.A O no hydrogen 2.896 N/A HIS 187.A N SER 190.A OG no hydrogen 3.192 N/A HIS 187.A ND1 HIS 10.A NE2 no hydrogen 2.953 N/A HIS 187.A NE2 SER 57.A OG no hydrogen 2.759 N/A ASN 189.A N GLU 88.A OE1 no hydrogen 2.951 N/A ASN 189.A N GLU 88.A OE2 no hydrogen 3.177 N/A SER 190.A N GLU 88.A OE1 no hydrogen 3.212 N/A SER 190.A OG LEU 86.A O no hydrogen 3.180 N/A SER 190.A OG HIS 187.A O no hydrogen 3.568 N/A SER 191.A N HIS 187.A O no hydrogen 3.041 N/A SER 191.A OG HIS 187.A O no hydrogen 2.738 N/A ARG 192.A N GLY 188.A O no hydrogen 3.200 N/A ARG 192.A NE ILE 209.A O no hydrogen 2.696 N/A ARG 192.A NH1 ASN 189.A OD1 no hydrogen 2.955 N/A ARG 192.A NH2 ARG 116.A O no hydrogen 2.943 N/A ARG 192.A NH2 ILE 206.A O no hydrogen 2.790 N/A ALA 193.A N ASN 189.A O no hydrogen 2.900 N/A LEU 194.A N SER 190.A O no hydrogen 3.169 N/A LEU 195.A N SER 191.A O no hydrogen 2.931 N/A LYS 196.A N ARG 192.A O no hydrogen 2.851 N/A LYS 196.A NZ ILE 201.A O no hydrogen 2.883 N/A LYS 196.A NZ ASP 203.A OD1 no hydrogen 2.589 N/A HIS 197.A N ALA 193.A O no hydrogen 3.230 N/A LEU 198.A N LEU 194.A O no hydrogen 2.897 N/A GLU 199.A N LEU 195.A O no hydrogen 2.842 N/A GLY 200.A N HIS 197.A O no hydrogen 3.172 N/A ILE 201.A N LYS 196.A O no hydrogen 2.929 N/A SER 202.A OG ASP 205.A OD2 no hydrogen 2.733 N/A ASP 205.A N SER 202.A OG no hydrogen 2.943 N/A ILE 206.A N SER 202.A O no hydrogen 3.136 N/A ASN 208.A N ASP 205.A O no hydrogen 3.046 N/A ILE 209.A N ILE 206.A O no hydrogen 3.055 N/A THR 213.A OG1 GLU 36.A OE2 no hydrogen 3.506 N/A GLY 214.A N ARG 9.A O no hydrogen 2.842 N/A ILE 217.A N MET 7.A O no hydrogen 2.750 N/A LEU 218.A N GLN 232.A O no hydrogen 2.748 N/A LEU 219.A N LEU 5.A O no hydrogen 3.418 N/A LEU 221.A N TYR 3.A O no hydrogen 2.591 N/A ASP 222.A N ARG 226.A O no hydrogen 2.829 N/A ASN 224.A N ASP 222.A OD1 no hydrogen 2.843 N/A LEU 225.A N ASP 222.A O no hydrogen 2.779 N/A ARG 226.A N ASP 222.A OD1 no hydrogen 2.885 N/A ALA 227.A N LEU 198.A O no hydrogen 2.809 N/A VAL 228.A N GLU 220.A O no hydrogen 2.889 N/A HIS 231.A N GLU 199.A OE1 no hydrogen 3.265 N/A HIS 231.A ND1 GLU 199.A OE1 no hydrogen 2.578 N/A GLN 232.A N LEU 218.A O no hydrogen 2.900 N/A LEU 234.A N PRO 216.A O no hydrogen 2.981 N/A GLN 237.A NE2 PHE 233.A O no hydrogen 2.987 N/A GLN 237.A NE2 GLY 235.A O no hydrogen 2.911 N/A ALA 239.A N ASP 236.A OD1 no hydrogen 2.873 N/A ILE 240.A N ASP 236.A O no hydrogen 2.936 N/A GLN 241.A N GLN 237.A O no hydrogen 2.923 N/A ALA 242.A N GLU 238.A O no hydrogen 2.958 N/A ALA 243.A N ALA 239.A O no hydrogen 2.886 N/A ILE 244.A N ILE 240.A O no hydrogen 2.993 N/A LYS 245.A N GLN 241.A O no hydrogen 2.971 N/A LYS 245.A NZ ASP 249.A OD2 no hydrogen 2.661 N/A LYS 246.A N ALA 242.A O no hydrogen 3.006 N/A VAL 247.A N ALA 243.A O no hydrogen 3.199 N/A GLU 248.A N ILE 244.A O no hydrogen 3.002 N/A ASP 249.A N LYS 245.A O no hydrogen 2.725 N/A GLN 250.A N LYS 246.A O no hydrogen 3.178 N/A GLN 250.A NE2 ASN 16.A O no hydrogen 3.053 N/A GLY 251.A N GLU 248.A O no hydrogen 3.232 N/A LYS 252.A N ASP 249.A O no hydrogen 3.071 N/A VAL 253.A N GLU 108.A OE2 no hydrogen 2.793 N/A