Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5upr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A NE ASP 237.A OD1 no hydrogen 2.943 N/A ARG 6.A NE ASP 237.A OD2 no hydrogen 3.061 N/A ARG 6.A NH1 GLU 212.A O.A no hydrogen 2.955 N/A ARG 6.A NH1 GLU 212.A O.B no hydrogen 2.955 N/A ARG 6.A NH2 GLU 234.A O no hydrogen 3.189 N/A ARG 6.A NH2 ASP 237.A OD1 no hydrogen 3.497 N/A ARG 7.A NE ASP 40.A OD1 no hydrogen 2.733 N/A ARG 7.A NH1 GLU 37.A O no hydrogen 2.955 N/A ARG 7.A NH2 GLU 37.A O no hydrogen 2.815 N/A PHE 9.A N ASP 237.A O no hydrogen 3.017 N/A VAL 10.A N ASP 40.A O no hydrogen 2.855 N/A GLY 11.A N PHE 239.A O no hydrogen 2.860 N/A GLY 12.A N VAL 42.A O no hydrogen 2.747 N/A ASN 13.A N VAL 241.A O no hydrogen 2.777 N/A TRP 14.A N ALA 44.A O no hydrogen 3.212 N/A LYS 15.A N ASN 13.A OD1 no hydrogen 2.981 N/A LYS 15.A NZ GLU 100.A OE2 no hydrogen 2.682 N/A ASN 17.A ND2 TRP 14.A O no hydrogen 2.985 N/A LYS 22.A N THR 19.A OG1 no hydrogen 3.098 N/A THR 23.A N THR 19.A O no hydrogen 2.861 N/A THR 23.A OG1 THR 19.A O no hydrogen 2.803 N/A GLN 24.A N THR 20.A O no hydrogen 3.103 N/A GLU 25.A N ALA 21.A O no hydrogen 2.978 N/A LEU 26.A N LYS 22.A O no hydrogen 2.962 N/A VAL 27.A N THR 23.A O no hydrogen 2.940 N/A ASP 28.A N GLN 24.A O no hydrogen 2.843 N/A ASN 30.A N VAL 27.A O no hydrogen 2.844 N/A ASN 30.A ND2 SER 56.A O no hydrogen 3.038 N/A SER 31.A N ASP 28.A O no hydrogen 2.988 N/A SER 31.A OG ASP 28.A O no hydrogen 2.925 N/A GLU 37.A N SER 35.A OG no hydrogen 3.137 N/A VAL 39.A N PHE 36.A O no hydrogen 3.251 N/A ASP 40.A N GLY 8.A O no hydrogen 2.903 N/A VAL 42.A N VAL 10.A O no hydrogen 2.922 N/A VAL 43.A N GLN 63.A O no hydrogen 3.004 N/A ALA 44.A N GLY 12.A O no hydrogen 2.811 N/A PHE 49.A N PRO 46.A O no hydrogen 2.997 N/A ILE 50.A N SER 47.A O no hydrogen 3.429 N/A GLN 52.A NE2 THR 20.A O no hydrogen 3.001 N/A VAL 53.A N PHE 49.A O no hydrogen 3.150 N/A GLN 54.A N ILE 50.A O no hydrogen 2.909 N/A GLN 54.A NE2 LYS 89.A O no hydrogen 2.995 N/A GLN 54.A NE2 ASN 90.A O no hydrogen 3.243 N/A ASP 55.A N SER 51.A O no hydrogen 2.904 N/A SER 56.A N GLN 52.A O no hydrogen 3.145 N/A SER 56.A N VAL 53.A O no hydrogen 3.291 N/A SER 56.A OG GLN 52.A O no hydrogen 2.849 N/A LEU 57.A N VAL 53.A O no hydrogen 2.892 N/A ARG 58.A N ASN 30.A OD1 no hydrogen 2.838 N/A GLN 59.A NE2 LEU 29.A O no hydrogen 2.909 N/A GLN 59.A NE2 ASN 30.A O no hydrogen 3.605 N/A ARG 61.A NE GLU 37.A OE2 no hydrogen 2.735 N/A ARG 61.A NH2 GLU 37.A OE2 no hydrogen 2.897 N/A VAL 62.A N GLN 59.A O no hydrogen 3.275 N/A GLN 63.A N VAL 41.A O no hydrogen 3.005 N/A ALA 65.A N VAL 43.A O no hydrogen 2.808 N/A ALA 66.A N TRP 93.A O no hydrogen 3.054 N/A GLN 67.A NE2 LYS 15.A O no hydrogen 2.871 N/A GLN 67.A NE2 ALA 44.A O no hydrogen 2.905 N/A SER 70.A N LEU 82.A O no hydrogen 2.937 N/A SER 70.A OG GLU 81.A OE1 no hydrogen 2.726 N/A GLN 72.A N SER 70.A OG no hydrogen 2.990 N/A GLN 72.A NE2 THR 71.A OG1 no hydrogen 2.836 N/A GLN 73.A NE2 GLU 126.A OE2 no hydrogen 2.741 N/A TYR 75.A OH GLU 88.A OE1 no hydrogen 2.643 N/A PHE 78.A N GLY 76.A O no hydrogen 2.975 N/A GLU 81.A N PHE 78.A O no hydrogen 3.042 N/A SER 83.A OG ALA 74.A O no hydrogen 2.905 N/A LYS 85.A N GLN 73.A O no hydrogen 3.215 N/A LYS 87.A N PRO 84.A O no hydrogen 2.880 N/A LYS 87.A NZ GLY 127.A O no hydrogen 3.090 N/A GLU 88.A N LYS 85.A O no hydrogen 2.978 N/A LYS 89.A N ILE 86.A O no hydrogen 3.161 N/A ASN 90.A N LYS 87.A O no hydrogen 2.850 N/A ILE 91.A N ILE 86.A O no hydrogen 3.265 N/A TRP 93.A NE1 GLN 63.A OE1 no hydrogen 2.989 N/A VAL 94.A N SER 129.A O no hydrogen 2.976 N/A VAL 95.A N ALA 66.A O no hydrogen 2.911 N/A LEU 96.A N ILE 131.A O no hydrogen 2.910 N/A GLU 100.A N HIS 98.A ND1 no hydrogen 3.130 N/A ARG 101.A N HIS 98.A O no hydrogen 2.861 N/A ARG 101.A NE GLU 111.A OE2 no hydrogen 2.800 N/A ARG 101.A NH2 GLU 111.A OE2 no hydrogen 3.558 N/A ARG 102.A N HIS 98.A O no hydrogen 2.922 N/A ARG 102.A NE GLY 97.A O no hydrogen 2.785 N/A ARG 102.A NH2 CYS 133.A O no hydrogen 2.988 N/A ALA 103.A N SER 99.A O no hydrogen 2.930 N/A GLY 104.A N GLU 100.A O no hydrogen 3.147 N/A GLN 108.A N PHE 105.A O no hydrogen 3.064 N/A GLU 111.A N ARG 101.A O no hydrogen 3.039 N/A VAL 115.A N SER 112.A OG no hydrogen 3.034 N/A VAL 116.A N SER 112.A O no hydrogen 2.918 N/A ALA 117.A N ASN 113.A O no hydrogen 3.049 N/A LYS 118.A N GLN 114.A O no hydrogen 2.960 N/A LYS 119.A N VAL 115.A O no hydrogen 2.923 N/A LYS 119.A NZ ASP 68.A OD1 no hydrogen 2.715 N/A LYS 119.A NZ ASP 68.A OD2 no hydrogen 3.177 N/A LYS 119.A NZ SER 69.A O no hydrogen 3.522 N/A LYS 119.A NZ GLU 111.A OE2 no hydrogen 2.994 N/A VAL 120.A N VAL 116.A O no hydrogen 2.895 N/A ARG 121.A N ALA 117.A O no hydrogen 2.949 N/A ARG 121.A NE ASN 125.A OD1 no hydrogen 2.875 N/A ARG 121.A NH1 ALA 160.A O no hydrogen 2.856 N/A ALA 122.A N LYS 118.A O no hydrogen 3.091 N/A ALA 123.A N LYS 119.A O no hydrogen 2.962 N/A LEU 124.A N VAL 120.A O no hydrogen 2.894 N/A ASN 125.A N ARG 121.A O no hydrogen 2.887 N/A ASN 125.A ND2 GLN 73.A OE1 no hydrogen 3.083 N/A GLU 126.A N ALA 122.A O no hydrogen 3.207 N/A GLU 126.A N ALA 123.A O no hydrogen 3.114 N/A GLY 127.A N LEU 124.A O no hydrogen 2.995 N/A LEU 128.A N ALA 123.A O no hydrogen 3.049 N/A SER 129.A N PRO 92.A O no hydrogen 2.986 N/A VAL 130.A N SER 169.A O no hydrogen 2.909 N/A ILE 131.A N VAL 94.A O no hydrogen 2.813 N/A LEU 132.A N VAL 171.A O no hydrogen 2.848 N/A CYS 133.A N LEU 96.A O no hydrogen 2.919 N/A CYS 133.A SG LEU 96.A O no hydrogen 3.849 N/A ILE 134.A N ALA 173.A O no hydrogen 3.007 N/A GLY 135.A N GLN 153.A OE1 no hydrogen 2.922 N/A GLU 136.A N GLU 136.A OE1 no hydrogen 2.703 N/A THR 137.A N GLU 140.A OE1 no hydrogen 2.909 N/A GLU 140.A N THR 137.A OG1 no hydrogen 3.032 N/A ARG 141.A N THR 137.A O no hydrogen 2.917 N/A ARG 141.A NE GLU 136.A OE2 no hydrogen 2.842 N/A ARG 141.A NH2 GLU 136.A OE2 no hydrogen 3.181 N/A ARG 141.A NH2 TYR 174.A OH no hydrogen 2.986 N/A ARG 141.A NH2 THR 194.A OG1 no hydrogen 3.101 N/A GLU 142.A N LEU 138.A O no hydrogen 2.990 N/A SER 143.A N GLU 139.A O no hydrogen 3.020 N/A SER 143.A OG GLU 139.A O no hydrogen 2.783 N/A SER 143.A OG GLU 139.A OE1 no hydrogen 3.011 N/A SER 143.A OG GLU 140.A O no hydrogen 3.354 N/A GLY 144.A N ARG 141.A O no hydrogen 3.167 N/A GLN 145.A N GLU 140.A O no hydrogen 2.893 N/A GLN 145.A NE2 SER 143.A OG no hydrogen 2.819 N/A LYS 148.A NZ GLU 152.A OE2 no hydrogen 2.844 N/A VAL 149.A N GLN 145.A O no hydrogen 2.886 N/A LEU 150.A N THR 146.A O no hydrogen 2.903 N/A SER 151.A N GLN 147.A O no hydrogen 3.005 N/A SER 151.A OG GLN 147.A O no hydrogen 2.693 N/A GLU 152.A N LYS 148.A O no hydrogen 3.056 N/A GLN 153.A N VAL 149.A O no hydrogen 3.027 N/A GLN 153.A NE2 GLY 135.A O no hydrogen 3.571 N/A LEU 154.A N LEU 150.A O no hydrogen 2.976 N/A GLU 155.A N SER 151.A O no hydrogen 2.734 N/A ALA 156.A N GLU 152.A O no hydrogen 3.160 N/A ARG 158.A N LEU 154.A O no hydrogen 2.950 N/A ARG 158.A NE GLU 155.A OE1 no hydrogen 2.985 N/A ARG 158.A NH2 GLU 155.A OE2 no hydrogen 2.916 N/A GLN 159.A N GLU 155.A O no hydrogen 2.942 N/A ALA 160.A N ALA 156.A O no hydrogen 3.349 N/A VAL 161.A N VAL 157.A O no hydrogen 2.778 N/A ALA 166.A N GLU 163.A O no hydrogen 3.264 N/A TRP 167.A N ALA 164.A O no hydrogen 3.118 N/A TRP 167.A NE1 VAL 161.A O no hydrogen 3.009 N/A LYS 168.A N ASP 165.A O no hydrogen 3.212 N/A SER 169.A N ALA 166.A O no hydrogen 3.375 N/A ILE 170.A N TRP 167.A O no hydrogen 3.159 N/A VAL 171.A N VAL 130.A O no hydrogen 2.940 N/A ILE 172.A N ARG 215.A O no hydrogen 2.928 N/A ALA 173.A N LEU 132.A O no hydrogen 2.805 N/A TYR 174.A N ILE 217.A O no hydrogen 2.757 N/A TYR 174.A OH GLU 136.A OE1 no hydrogen 2.691 N/A TYR 174.A OH GLU 136.A OE2 no hydrogen 3.066 N/A GLU 175.A N ILE 134.A O no hydrogen 2.979 N/A VAL 177.A N GLU 136.A O no hydrogen 2.885 N/A TRP 178.A NE1 GLU 136.A OE2 no hydrogen 2.922 N/A ALA 179.A N PRO 176.A O no hydrogen 2.952 N/A ILE 180.A N VAL 177.A O no hydrogen 3.170 N/A THR 182.A OG1 TRP 178.A O no hydrogen 2.681 N/A GLY 183.A N SER 221.A OG no hydrogen 3.001 N/A LYS 184.A N.A THR 182.A OG1 no hydrogen 3.218 N/A LYS 184.A N.B THR 182.A OG1 no hydrogen 3.217 N/A THR 185.A OG1 SER 221.A O no hydrogen 2.796 N/A ALA 186.A N TYR 218.A OH no hydrogen 2.981 N/A LEU 190.A N THR 187.A OG1 no hydrogen 3.026 N/A ALA 191.A N THR 187.A O no hydrogen 3.070 N/A GLN 192.A N ALA 188.A O no hydrogen 3.040 N/A GLN 192.A NE2 ASP 235.A OD2 no hydrogen 2.789 N/A GLU 193.A N ALA 189.A O no hydrogen 2.997 N/A THR 194.A N LEU 190.A O no hydrogen 3.003 N/A THR 194.A OG1 LEU 190.A O no hydrogen 2.922 N/A HIS 195.A N ALA 191.A O no hydrogen 2.872 N/A HIS 195.A ND1 ASP 235.A O no hydrogen 2.961 N/A ARG 196.A N GLN 192.A O no hydrogen 3.010 N/A ASP 197.A N GLU 193.A O no hydrogen 3.071 N/A ILE 198.A N THR 194.A O no hydrogen 2.970 N/A ARG 199.A N HIS 195.A O no hydrogen 2.921 N/A ARG 199.A NE ASP 235.A OD1 no hydrogen 2.729 N/A ARG 199.A NH1 ALA 211.A O no hydrogen 2.851 N/A ARG 199.A NH1 THR 214.A O no hydrogen 2.833 N/A ARG 199.A NH2 ASP 235.A O no hydrogen 3.257 N/A ARG 199.A NH2 ASP 237.A OD2 no hydrogen 2.772 N/A ASN 200.A N ARG 196.A O no hydrogen 2.899 N/A TRP 201.A N ASP 197.A O no hydrogen 2.944 N/A LEU 202.A N ILE 198.A O no hydrogen 3.019 N/A ALA 203.A N ARG 199.A O no hydrogen 3.085 N/A GLN 204.A N ASN 200.A O no hydrogen 3.151 N/A ALA 205.A N TRP 201.A O no hydrogen 2.879 N/A VAL 206.A N LEU 202.A O no hydrogen 2.884 N/A SER 207.A N LEU 202.A O no hydrogen 2.990 N/A VAL 210.A N SER 207.A OG no hydrogen 3.160 N/A ALA 211.A N SER 207.A O no hydrogen 2.975 N/A GLU 212.A N.A PRO 208.A O no hydrogen 2.995 N/A GLU 212.A N.B PRO 208.A O no hydrogen 2.994 N/A ALA 213.A N LYS 209.A O no hydrogen 3.100 N/A THR 214.A N VAL 210.A O no hydrogen 2.996 N/A THR 214.A OG1 VAL 210.A O no hydrogen 2.598 N/A ARG 215.A NH1 ARG 7.A O no hydrogen 3.064 N/A ARG 215.A NH1 ASP 40.A OD2 no hydrogen 2.717 N/A ARG 215.A NH2 ASP 40.A OD2 no hydrogen 3.550 N/A VAL 216.A N ASP 237.A OD2 no hydrogen 2.825 N/A ILE 217.A N ILE 172.A O no hydrogen 2.741 N/A TYR 218.A N GLY 238.A O no hydrogen 2.952 N/A TYR 218.A OH GLY 220.A O no hydrogen 2.739 N/A GLY 219.A N TYR 174.A O no hydrogen 2.967 N/A SER 221.A OG ALA 179.A O no hydrogen 2.773 N/A LYS 223.A N ASN 226.A OD1 no hydrogen 2.944 N/A GLY 224.A N ASP 249.A OD1 no hydrogen 3.159 N/A GLY 224.A N ASP 249.A OD2 no hydrogen 2.829 N/A ASN 226.A N LYS 223.A O no hydrogen 3.093 N/A ASN 226.A ND2 SER 221.A O no hydrogen 3.021 N/A ALA 227.A N LYS 223.A O no hydrogen 3.054 N/A LEU 230.A N ASN 226.A O no hydrogen 3.270 N/A PHE 231.A N ALA 227.A O no hydrogen 2.918 N/A GLU 232.A N GLU 229.A O no hydrogen 3.202 N/A GLY 233.A N LEU 230.A O no hydrogen 3.321 N/A ASP 235.A N GLN 192.A OE1 no hydrogen 2.873 N/A VAL 236.A N GLY 233.A O no hydrogen 3.138 N/A ASP 237.A N VAL 216.A O no hydrogen 2.924 N/A PHE 239.A N PHE 9.A O no hydrogen 2.969 N/A LEU 240.A N TYR 218.A O no hydrogen 2.846 N/A VAL 241.A N GLY 11.A O no hydrogen 2.825 N/A SER 245.A N GLY 242.A O no hydrogen 2.848 N/A SER 245.A OG GLY 242.A O no hydrogen 2.675 N/A LEU 246.A N GLY 243.A O no hydrogen 3.218 N/A THR 247.A N ALA 244.A O no hydrogen 3.367 N/A THR 247.A OG1 ALA 244.A O no hydrogen 3.444 N/A ASP 249.A N THR 247.A OG1 no hydrogen 3.076 N/A PHE 250.A N THR 247.A O no hydrogen 3.130 N/A VAL 251.A N GLY 248.A O no hydrogen 3.103 N/A ILE 253.A N ASP 249.A O no hydrogen 3.101 N/A ILE 254.A N PHE 250.A O no hydrogen 3.086 N/A ASP 255.A N VAL 251.A O no hydrogen 3.066 N/A ALA 256.A N SER 252.A O no hydrogen 3.103 N/A ALA 257.A N ILE 253.A O no hydrogen 3.288 N/A ALA 257.A N ILE 254.A O no hydrogen 3.124 N/A LYS 258.A NZ SER 35.A O no hydrogen 3.239 N/A LYS 258.A NZ ASP 255.A OD1 no hydrogen 2.724 N/A