Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2rda_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 4.A NE2 ARG 250.A O no hydrogen 3.028 N/A GLU 6.A N HIS 4.A ND1 no hydrogen 2.711 N/A LEU 7.A N HIS 4.A O no hydrogen 2.510 N/A GLN 8.A NE2 GLY 5.A O no hydrogen 3.298 N/A GLN 8.A NE2 ARG 40.A O no hydrogen 2.597 N/A TYR 9.A OH MET 195.A O no hydrogen 2.445 N/A LEU 10.A N GLU 6.A O no hydrogen 3.225 N/A GLY 11.A N LEU 7.A O no hydrogen 2.599 N/A GLN 12.A N GLN 8.A O no hydrogen 3.130 N/A ILE 13.A N TYR 9.A O no hydrogen 2.913 N/A GLN 14.A N LEU 10.A O no hydrogen 2.755 N/A HIS 15.A N GLY 11.A O no hydrogen 2.695 N/A ILE 16.A N GLN 12.A O no hydrogen 3.074 N/A LEU 17.A N ILE 13.A O no hydrogen 3.083 N/A ARG 18.A N GLN 14.A O no hydrogen 2.725 N/A CYS 19.A N HIS 15.A O no hydrogen 3.038 N/A GLY 20.A N ILE 16.A O no hydrogen 2.736 N/A VAL 21.A N SER 33.A O no hydrogen 3.078 N/A THR 27.A OG1 ASP 25.A OD1 no hydrogen 1.830 N/A LEU 32.A N ILE 233.A O no hydrogen 2.923 N/A SER 33.A OG ASP 230.A OD1 no hydrogen 3.568 N/A VAL 34.A N ALA 231.A O no hydrogen 3.192 N/A GLY 36.A N GLY 229.A O no hydrogen 2.959 N/A MET 37.A N LEU 228.A O no hydrogen 3.174 N/A GLN 38.A NE2 THR 227.A OG1 no hydrogen 3.067 N/A ALA 39.A N HIS 226.A O no hydrogen 2.956 N/A ARG 40.A N GLN 8.A OE1 no hydrogen 3.063 N/A TYR 41.A N PHE 224.A O no hydrogen 2.778 N/A LEU 43.A N GLY 222.A O no hydrogen 2.486 N/A ARG 44.A NE GLU 183.A OE1 no hydrogen 3.138 N/A ARG 44.A NE GLU 183.A OE2 no hydrogen 2.926 N/A ARG 44.A NH1 SER 42.A OG no hydrogen 3.087 N/A ARG 44.A NH1 ASP 223.A OD1 no hydrogen 2.560 N/A ARG 44.A NH2 GLU 183.A OE1 no hydrogen 3.095 N/A ARG 44.A NH2 ASP 223.A OD2 no hydrogen 3.455 N/A PHE 47.A N PRO 253.A O no hydrogen 3.289 N/A LEU 49.A N PHE 47.A O no hydrogen 2.733 N/A THR 51.A N GLU 6.A OE2 no hydrogen 2.761 N/A THR 51.A OG1 GLU 6.A OE2 no hydrogen 2.890 N/A THR 51.A OG1 ARG 250.A O no hydrogen 3.314 N/A THR 52.A N GLU 6.A OE1 no hydrogen 3.034 N/A THR 52.A OG1 GLU 6.A OE1 no hydrogen 2.347 N/A VAL 55.A N TYR 277.A OH no hydrogen 3.076 N/A LYS 58.A NZ LYS 80.A O no hydrogen 2.846 N/A LYS 58.A NZ GLY 81.A O no hydrogen 3.168 N/A VAL 60.A N PHE 56.A O no hydrogen 2.988 N/A LEU 61.A N TRP 57.A O no hydrogen 3.044 N/A GLU 62.A N LYS 58.A O no hydrogen 3.174 N/A GLU 63.A N GLY 59.A O no hydrogen 2.796 N/A LEU 64.A N VAL 60.A O no hydrogen 3.070 N/A LEU 65.A N LEU 61.A O no hydrogen 2.806 N/A TRP 66.A N GLU 62.A O no hydrogen 2.926 N/A TRP 66.A NE1 ASN 73.A O no hydrogen 2.950 N/A PHE 67.A N GLU 63.A O no hydrogen 2.763 N/A ILE 68.A N LEU 64.A O no hydrogen 2.845 N/A LYS 69.A N LEU 65.A O no hydrogen 3.250 N/A GLY 70.A N PHE 67.A O no hydrogen 2.846 N/A SER 71.A N TRP 66.A O no hydrogen 3.177 N/A THR 72.A OG1 GLY 108.A O no hydrogen 3.195 N/A THR 72.A OG1 TYR 122.A OH no hydrogen 2.883 N/A ASN 73.A N SER 71.A OG no hydrogen 2.844 N/A ALA 74.A N GLY 105.A O no hydrogen 2.794 N/A LYS 75.A N ASN 73.A OD1 no hydrogen 3.079 N/A GLU 76.A N ASN 73.A O no hydrogen 3.071 N/A LEU 77.A N ALA 74.A O no hydrogen 3.205 N/A SER 78.A N ALA 74.A O no hydrogen 3.098 N/A SER 78.A OG ASP 86.A OD2 no hydrogen 2.963 N/A SER 79.A OG GLU 76.A O no hydrogen 3.402 N/A LYS 80.A N LEU 77.A O no hydrogen 2.614 N/A LYS 80.A NZ GLU 62.A OE2 no hydrogen 2.563 N/A GLY 81.A N SER 78.A O no hydrogen 3.276 N/A LYS 83.A NZ SER 78.A O no hydrogen 2.323 N/A TRP 85.A NE1 GLU 63.A OE2 no hydrogen 2.345 N/A ASP 86.A N LYS 83.A O no hydrogen 3.193 N/A ASN 88.A N TRP 85.A O no hydrogen 2.894 N/A GLY 89.A N TRP 85.A O no hydrogen 3.271 N/A GLY 89.A N ASP 86.A O no hydrogen 2.778 N/A SER 90.A N ASP 86.A O no hydrogen 2.955 N/A SER 90.A N ALA 87.A O no hydrogen 3.373 N/A SER 90.A OG ALA 87.A O no hydrogen 3.318 N/A ARG 91.A NH2 ARG 102.A O no hydrogen 2.113 N/A PHE 93.A N SER 90.A O no hydrogen 2.626 N/A PHE 93.A N SER 90.A OG no hydrogen 3.176 N/A LEU 94.A N SER 90.A O no hydrogen 3.045 N/A ASP 95.A N ARG 91.A O no hydrogen 2.856 N/A SER 96.A N ASP 92.A O no hydrogen 2.887 N/A SER 96.A N PHE 93.A O no hydrogen 2.574 N/A SER 96.A OG PHE 93.A O no hydrogen 2.798 N/A LEU 97.A N LEU 94.A O no hydrogen 2.778 N/A PHE 99.A N LEU 94.A O no hydrogen 2.972 N/A SER 100.A OG ASP 95.A OD1 no hydrogen 3.238 N/A ARG 102.A N PHE 99.A O no hydrogen 2.577 N/A ARG 102.A NH1 LEU 165.A O no hydrogen 3.368 N/A ARG 102.A NH2 LEU 165.A O no hydrogen 3.179 N/A GLU 103.A N GLU 103.A OE2 no hydrogen 2.430 N/A GLU 104.A N GLU 104.A OE1 no hydrogen 3.297 N/A GLY 105.A N GLY 89.A O no hydrogen 2.834 N/A ASP 106.A N GLU 103.A O no hydrogen 3.101 N/A LEU 107.A N THR 72.A O no hydrogen 3.193 N/A GLY 108.A N ASP 106.A OD2 no hydrogen 2.855 N/A VAL 110.A N GLY 108.A O no hydrogen 2.991 N/A TYR 111.A OH HIS 172.A ND1 no hydrogen 3.201 N/A GLN 114.A N VAL 110.A O no hydrogen 3.238 N/A GLN 114.A N TYR 111.A O no hydrogen 2.657 N/A GLN 114.A NE2 PRO 109.A O no hydrogen 2.981 N/A GLN 114.A NE2 ASP 162.A OD1 no hydrogen 2.779 N/A TRP 115.A N TYR 111.A O no hydrogen 2.614 N/A ARG 116.A N GLY 112.A O no hydrogen 2.761 N/A ARG 116.A NE ASP 135.A OD1 no hydrogen 3.380 N/A ARG 116.A NH1 ILE 68.A O no hydrogen 2.659 N/A ARG 116.A NH1 ASP 265.A OD2 no hydrogen 3.005 N/A ARG 116.A NH2 ASP 135.A OD1 no hydrogen 3.349 N/A ARG 116.A NH2 ASP 135.A OD2 no hydrogen 3.143 N/A HIS 117.A N PHE 113.A O no hydrogen 3.078 N/A HIS 117.A ND1 GLN 132.A O no hydrogen 3.129 N/A ALA 120.A N HIS 117.A O no hydrogen 3.081 N/A TYR 122.A OH THR 72.A OG1 no hydrogen 2.883 N/A TYR 122.A OH ASP 106.A OD2 no hydrogen 2.822 N/A ARG 123.A N TYR 129.A OH no hydrogen 2.953 N/A ARG 123.A NH1 GLN 132.A OE1 no hydrogen 3.137 N/A ARG 123.A NH2 GLN 132.A OE1 no hydrogen 2.786 N/A ASP 124.A N SER 127.A OG no hydrogen 3.211 N/A MET 125.A N ASP 106.A OD1 no hydrogen 2.980 N/A GLU 126.A N ASP 124.A OD1 no hydrogen 2.911 N/A SER 127.A N ASP 124.A O no hydrogen 3.171 N/A SER 127.A OG ASP 124.A O no hydrogen 3.083 N/A SER 127.A OG ASP 124.A OD2 no hydrogen 3.397 N/A TYR 129.A OH ASP 124.A O no hydrogen 2.926 N/A SER 130.A N ASP 128.A OD2 no hydrogen 2.741 N/A SER 130.A OG ASP 128.A OD2 no hydrogen 3.052 N/A GLN 132.A N TYR 129.A O no hydrogen 2.639 N/A VAL 134.A N PHE 118.A O no hydrogen 2.920 N/A GLN 136.A NE2 GLN 114.A O no hydrogen 3.081 N/A GLN 136.A NE2 CYS 156.A O no hydrogen 2.731 N/A LEU 137.A N TRP 115.A O no hydrogen 3.296 N/A GLN 138.A N ASP 135.A OD1 no hydrogen 2.725 N/A GLN 138.A NE2 ASP 142.A OD1 no hydrogen 3.057 N/A GLN 138.A NE2 ASP 142.A OD2 no hydrogen 3.309 N/A LYS 139.A N ASP 135.A O no hydrogen 3.030 N/A VAL 140.A N GLN 136.A O no hydrogen 2.936 N/A ILE 141.A N LEU 137.A O no hydrogen 2.721 N/A ASP 142.A N GLN 138.A O no hydrogen 2.843 N/A THR 143.A N LYS 139.A O no hydrogen 2.860 N/A THR 143.A OG1 LYS 139.A O no hydrogen 2.720 N/A ILE 144.A N VAL 140.A O no hydrogen 3.080 N/A LYS 145.A N ILE 141.A O no hydrogen 3.254 N/A THR 146.A N ASP 142.A O no hydrogen 2.876 N/A THR 146.A OG1 ASP 142.A O no hydrogen 2.848 N/A ASN 147.A N THR 143.A O no hydrogen 2.782 N/A ASP 150.A N ASN 147.A O no hydrogen 3.079 N/A ARG 152.A N ASP 150.A OD1 no hydrogen 3.092 N/A MET 155.A N CYS 175.A O no hydrogen 3.006 N/A CYS 156.A N GLN 136.A OE1 no hydrogen 3.142 N/A CYS 156.A SG TRP 158.A O no hydrogen 3.864 N/A CYS 156.A SG ALA 173.A O no hydrogen 3.999 N/A ALA 157.A N ALA 173.A O no hydrogen 3.177 N/A ASN 159.A ND2 GLN 114.A OE1 no hydrogen 3.169 N/A ARG 161.A N ASN 159.A OD1 no hydrogen 3.248 N/A ARG 161.A NE ASP 162.A OD2 no hydrogen 2.974 N/A ARG 161.A NH1 ASP 162.A OD2 no hydrogen 2.435 N/A ARG 161.A NH2 GLU 121.A OE1 no hydrogen 3.416 N/A ARG 161.A NH2 GLU 121.A OE2 no hydrogen 3.275 N/A ASP 162.A N ASN 159.A O no hydrogen 2.860 N/A LEU 165.A N ASP 162.A O no hydrogen 2.864 N/A MET 166.A N LEU 163.A O no hydrogen 3.209 N/A ALA 167.A N LEU 107.A O no hydrogen 2.771 N/A CYS 171.A N TYR 111.A OH no hydrogen 2.646 N/A CYS 171.A SG SER 192.A O no hydrogen 3.953 N/A HIS 172.A N TYR 111.A OH no hydrogen 2.916 N/A ALA 173.A N TYR 189.A O no hydrogen 2.823 N/A LEU 174.A N TYR 189.A O no hydrogen 3.418 N/A CYS 175.A N MET 155.A O no hydrogen 2.987 N/A GLN 176.A N GLN 187.A O no hydrogen 2.833 N/A PHE 177.A N ILE 153.A O no hydrogen 2.690 N/A TYR 178.A N SER 185.A O no hydrogen 3.009 N/A VAL 180.A N GLU 183.A O no hydrogen 2.934 N/A GLU 183.A N VAL 180.A O no hydrogen 2.785 N/A LEU 184.A N LYS 220.A O no hydrogen 2.657 N/A SER 185.A N TYR 178.A O no hydrogen 2.748 N/A SER 185.A OG ASP 223.A O no hydrogen 3.342 N/A CYS 186.A N ASP 223.A O no hydrogen 2.846 N/A CYS 186.A SG GLN 176.A O no hydrogen 4.026 N/A GLN 187.A N GLN 176.A O no hydrogen 2.976 N/A LEU 188.A N ILE 225.A O no hydrogen 2.849 N/A TYR 189.A N LEU 174.A O no hydrogen 2.746 N/A GLN 190.A N THR 227.A O no hydrogen 2.977 N/A GLN 190.A NE2 SER 192.A O no hydrogen 3.079 N/A GLN 190.A NE2 ASN 202.A OD1 no hydrogen 2.986 N/A ARG 191.A N CYS 171.A O no hydrogen 3.042 N/A ARG 191.A NE PRO 170.A O no hydrogen 2.437 N/A ARG 191.A NH2 PRO 169.A O no hydrogen 3.288 N/A ARG 191.A NH2 PRO 170.A O no hydrogen 3.122 N/A GLY 193.A N ASP 230.A O no hydrogen 3.076 N/A MET 195.A N HIS 232.A O no hydrogen 2.751 N/A GLY 196.A N ASP 194.A OD2 no hydrogen 2.806 N/A GLY 198.A N ASP 194.A O no hydrogen 3.339 N/A VAL 199.A N ASP 194.A O no hydrogen 2.990 N/A ASN 202.A N GLY 198.A O no hydrogen 2.906 N/A ILE 203.A N VAL 199.A O no hydrogen 2.911 N/A ALA 204.A N PRO 200.A O no hydrogen 3.051 N/A SER 205.A N PHE 201.A O no hydrogen 2.689 N/A SER 205.A OG PHE 201.A O no hydrogen 3.013 N/A TYR 206.A N ASN 202.A O no hydrogen 3.323 N/A ALA 207.A N ILE 203.A O no hydrogen 3.006 N/A LEU 208.A N ALA 204.A O no hydrogen 2.813 N/A LEU 209.A N SER 205.A O no hydrogen 3.060 N/A THR 210.A N TYR 206.A O no hydrogen 3.181 N/A THR 210.A OG1 TYR 206.A O no hydrogen 3.039 N/A TYR 211.A N ALA 207.A O no hydrogen 2.865 N/A TYR 211.A OH GLU 46.A O no hydrogen 2.831 N/A MET 212.A N LEU 208.A O no hydrogen 2.840 N/A ILE 213.A N LEU 209.A O no hydrogen 3.036 N/A ALA 214.A N THR 210.A O no hydrogen 2.702 N/A HIS 215.A N TYR 211.A O no hydrogen 2.838 N/A HIS 215.A NE2 ARG 259.A O no hydrogen 2.999 N/A ILE 216.A N MET 212.A O no hydrogen 3.212 N/A THR 217.A N ALA 214.A O no hydrogen 3.179 N/A THR 217.A OG1 ILE 213.A O no hydrogen 3.040 N/A THR 217.A OG1 ALA 214.A O no hydrogen 3.113 N/A GLY 218.A N HIS 215.A O no hydrogen 3.056 N/A LEU 219.A N ALA 214.A O no hydrogen 2.845 N/A LYS 220.A N SER 182.A O no hydrogen 2.818 N/A GLY 222.A N LEU 184.A O no hydrogen 2.767 N/A ASP 223.A N SER 185.A OG no hydrogen 2.969 N/A PHE 224.A N TYR 41.A O no hydrogen 2.745 N/A ILE 225.A N CYS 186.A O no hydrogen 2.679 N/A HIS 226.A N ALA 39.A O no hydrogen 2.929 N/A HIS 226.A NE2 GLN 190.A OE1 no hydrogen 2.829 N/A THR 227.A N LEU 188.A O no hydrogen 2.775 N/A THR 227.A OG1 GLN 187.A OE1 no hydrogen 2.864 N/A LEU 228.A N MET 37.A O no hydrogen 2.691 N/A GLY 229.A N GLN 190.A O no hydrogen 2.921 N/A ASP 230.A N ARG 191.A O no hydrogen 2.704 N/A ALA 231.A N VAL 34.A O no hydrogen 2.884 N/A HIS 232.A N GLY 193.A O no hydrogen 3.065 N/A ILE 233.A N LEU 32.A O no hydrogen 3.042 N/A LEU 235.A N GLY 30.A O no hydrogen 2.807 N/A HIS 237.A N TYR 234.A O no hydrogen 2.865 N/A ILE 238.A N LEU 235.A O no hydrogen 3.112 N/A LEU 241.A N HIS 237.A O no hydrogen 2.799 N/A LYS 242.A N GLU 239.A O no hydrogen 3.005 N/A LYS 242.A NZ GLU 239.A OE2 no hydrogen 2.692 N/A ILE 243.A N GLU 239.A O no hydrogen 3.118 N/A GLN 244.A N PRO 240.A O no hydrogen 2.694 N/A GLN 244.A NE2 THR 52.A OG1 no hydrogen 2.573 N/A GLN 246.A N ILE 243.A O no hydrogen 3.232 N/A ARG 247.A N GLN 244.A O no hydrogen 3.279 N/A ARG 247.A NH1 THR 52.A O no hydrogen 2.857 N/A ARG 250.A N THR 51.A OG1 no hydrogen 3.035 N/A ARG 250.A NH1 ASN 278.A O no hydrogen 2.894 N/A LYS 254.A N GLU 275.A O no hydrogen 2.795 N/A LYS 254.A NZ ASP 45.A O no hydrogen 3.369 N/A ARG 256.A N GLN 273.A O no hydrogen 3.182 N/A ARG 256.A NE GLU 275.A OE1 no hydrogen 3.099 N/A ARG 256.A NH2 GLU 275.A OE2 no hydrogen 2.711 N/A LEU 258.A N ASP 271.A O no hydrogen 2.526 N/A ASP 266.A N LYS 263.A O no hydrogen 3.078 N/A LYS 268.A N ASP 271.A OD1 no hydrogen 2.868 N/A LYS 268.A NZ PHE 267.A O no hydrogen 3.125 N/A ASP 271.A N LYS 268.A O no hydrogen 2.906 N/A GLN 273.A N ARG 256.A O no hydrogen 2.714 N/A GLU 275.A N LYS 254.A O no hydrogen 2.813 N/A TYR 277.A OH LEU 50.A O no hydrogen 2.701 N/A HIS 280.A N THR 51.A O no hydrogen 3.051 N/A HIS 280.A NE2 GLU 248.A O no hydrogen 2.972 N/A