Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rgl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH HIS 110.A NE2 no hydrogen 2.711 N/A GLN 5.A NE2 GLN 171.A OE1 no hydrogen 3.132 N/A GLN 5.A NE2 ASP 178.A O no hydrogen 2.577 N/A ASN 7.A N PHE 4.A O no hydrogen 3.238 N/A ALA 8.A N GLN 5.A O no hydrogen 3.363 N/A THR 9.A OG1 GLN 12.A OE1 no hydrogen 3.383 N/A THR 9.A OG1 TRP 181.A O no hydrogen 3.229 N/A PHE 10.A N VAL 180.A O no hydrogen 2.823 N/A SER 11.A N TRP 181.A O no hydrogen 3.151 N/A SER 11.A OG TRP 181.A O no hydrogen 2.794 N/A GLN 12.A N THR 9.A OG1 no hydrogen 3.359 N/A LEU 14.A N SER 11.A O no hydrogen 3.142 N/A ASN 15.A N GLN 12.A O no hydrogen 2.766 N/A ASN 15.A ND2 ASN 102.A O no hydrogen 2.956 N/A ASN 15.A ND2 ASN 102.A OD1 no hydrogen 2.763 N/A GLN 17.A N ILE 13.A O no hydrogen 3.033 N/A ASN 18.A N LEU 14.A O no hydrogen 2.602 N/A TYR 19.A N ASN 15.A O no hydrogen 2.688 N/A TYR 19.A OH LEU 95.A O no hydrogen 2.567 N/A TRP 20.A N LEU 16.A O no hydrogen 2.898 N/A TRP 20.A NE1 TYR 162.A OH no hydrogen 2.946 N/A GLN 21.A N GLN 17.A O no hydrogen 3.032 N/A GLU 22.A N ASN 18.A O no hydrogen 3.233 N/A GLU 22.A N TYR 19.A O no hydrogen 3.218 N/A GLN 23.A N TRP 20.A O no hydrogen 2.985 N/A GLN 23.A NE2 TYR 19.A O no hydrogen 2.607 N/A GLY 24.A N GLN 21.A O no hydrogen 3.121 N/A CYS 25.A N TRP 20.A O no hydrogen 2.962 N/A ALA 26.A N ALA 53.A O no hydrogen 2.983 N/A TYR 30.A OH ASP 240.A OD2 no hydrogen 2.714 N/A GLY 36.A N GLN 80.A OE1 no hydrogen 2.685 N/A THR 37.A OG1 GLU 159.A OE2 no hydrogen 2.601 N/A PHE 38.A N ALA 35.A O no hydrogen 2.938 N/A HIS 39.A N GLY 36.A O no hydrogen 2.942 N/A HIS 39.A NE2 GLN 28.A O no hydrogen 2.884 N/A ALA 41.A N HIS 39.A ND1 no hydrogen 2.851 N/A THR 42.A N HIS 39.A O no hydrogen 2.711 N/A THR 42.A OG1 TYR 56.A OH no hydrogen 2.535 N/A PHE 43.A N HIS 39.A O no hydrogen 2.930 N/A LEU 44.A N PRO 40.A O no hydrogen 3.171 N/A ARG 45.A N PRO 40.A O no hydrogen 3.202 N/A SER 46.A N THR 42.A O no hydrogen 3.045 N/A SER 46.A OG PHE 43.A O no hydrogen 3.091 N/A LEU 47.A N LEU 44.A O no hydrogen 2.991 N/A TRP 52.A N LYS 86.A O no hydrogen 2.991 N/A TRP 52.A NE1 ALA 41.A O no hydrogen 3.102 N/A ALA 54.A N LEU 84.A O no hydrogen 2.860 N/A ALA 55.A N ALA 26.A O no hydrogen 3.152 N/A TYR 56.A N GLN 82.A O no hydrogen 2.934 N/A TYR 56.A OH GLY 36.A O no hydrogen 2.753 N/A TYR 56.A OH THR 42.A OG1 no hydrogen 2.535 N/A ALA 58.A N GLN 80.A O no hydrogen 2.824 N/A SER 60.A N TYR 78.A O no hydrogen 2.799 N/A SER 60.A OG ALA 58.A O no hydrogen 3.068 N/A ARG 61.A N ALA 33.A O no hydrogen 2.740 N/A ARG 62.A N GLY 76.A O no hydrogen 2.610 N/A ARG 62.A NE GLY 34.A O no hydrogen 2.798 N/A ARG 62.A NH2 GLY 34.A O no hydrogen 3.043 N/A ASP 65.A N ARG 62.A O no hydrogen 2.688 N/A GLY 66.A N PRO 63.A O no hydrogen 3.239 N/A ARG 67.A NH2 THR 64.A O no hydrogen 2.924 N/A ARG 67.A NH2 GLY 66.A O no hydrogen 3.357 N/A TYR 68.A N SER 203.A OG no hydrogen 2.939 N/A TYR 68.A OH GLU 208.A OE1 no hydrogen 2.551 N/A GLU 70.A N ARG 67.A O no hydrogen 2.878 N/A ASN 73.A N ASN 71.A OD1 no hydrogen 2.858 N/A ARG 74.A N ASN 71.A OD1 no hydrogen 2.915 N/A GLY 76.A N GLU 199.A OE1 no hydrogen 2.902 N/A ALA 77.A N GLU 199.A OE2 no hydrogen 3.037 N/A TYR 78.A N SER 60.A O no hydrogen 2.885 N/A TYR 79.A N GLU 165.A OE2 no hydrogen 2.837 N/A TYR 79.A OH HIS 195.A NE2 no hydrogen 2.516 N/A GLN 80.A N ALA 58.A O no hydrogen 3.077 N/A GLN 80.A NE2 TYR 78.A OH no hydrogen 2.783 N/A PHE 81.A N TYR 162.A O no hydrogen 3.238 N/A GLN 82.A N TYR 56.A O no hydrogen 2.831 N/A GLN 82.A NE2 THR 42.A OG1 no hydrogen 3.031 N/A GLN 82.A NE2 GLU 159.A OE2 no hydrogen 2.744 N/A VAL 83.A N ILE 160.A O no hydrogen 2.870 N/A LEU 84.A N ALA 54.A O no hydrogen 2.898 N/A ILE 85.A N ALA 158.A O no hydrogen 3.018 N/A LYS 86.A N TRP 52.A O no hydrogen 2.751 N/A LYS 86.A NZ ARG 45.A O no hydrogen 2.876 N/A LYS 86.A NZ GLY 48.A O no hydrogen 3.104 N/A LYS 86.A NZ LYS 50.A O no hydrogen 3.254 N/A SER 88.A N VAL 156.A O no hydrogen 2.775 N/A SER 88.A OG PRO 89.A O no hydrogen 3.497 N/A LEU 95.A N ASN 91.A O no hydrogen 2.713 N/A TYR 96.A N ILE 92.A O no hydrogen 3.145 N/A TYR 96.A N GLN 93.A O no hydrogen 3.059 N/A TYR 96.A OH THR 140.A OG1 no hydrogen 2.419 N/A LEU 97.A N GLN 93.A O no hydrogen 2.960 N/A LYS 98.A N GLU 94.A O no hydrogen 3.137 N/A SER 99.A N LEU 95.A O no hydrogen 3.310 N/A SER 99.A OG TYR 96.A O no hydrogen 2.558 N/A SER 99.A OG TYR 162.A OH no hydrogen 3.113 N/A LEU 100.A N TYR 96.A O no hydrogen 3.078 N/A GLU 101.A N LEU 97.A O no hydrogen 3.088 N/A ASN 102.A N LYS 98.A O no hydrogen 2.812 N/A LEU 103.A N LEU 100.A O no hydrogen 3.026 N/A GLY 104.A N GLU 101.A O no hydrogen 2.820 N/A PHE 105.A N LEU 100.A O no hydrogen 3.211 N/A ASP 106.A N TYR 3.A OH no hydrogen 2.558 N/A SER 109.A N ASP 106.A O no hydrogen 2.953 N/A SER 109.A OG ASP 106.A OD2 no hydrogen 3.165 N/A HIS 110.A N LEU 107.A O no hydrogen 2.623 N/A HIS 110.A ND1 ASP 136.A OD1 no hydrogen 2.610 N/A HIS 110.A NE2 TYR 3.A OH no hydrogen 2.711 N/A ASP 111.A N ASP 136.A OD2 no hydrogen 3.220 N/A ARG 113.A N TRP 134.A O no hydrogen 2.733 N/A VAL 115.A N GLU 132.A O no hydrogen 3.077 N/A ASP 117.A N GLY 130.A O no hydrogen 2.815 N/A TRP 119.A N GLY 128.A O no hydrogen 3.025 N/A SER 121.A N ALA 126.A O no hydrogen 2.740 N/A GLY 125.A N PRO 122.A O no hydrogen 3.107 N/A ALA 126.A N SER 121.A O no hydrogen 2.752 N/A TRP 127.A N GLN 147.A O no hydrogen 3.120 N/A GLY 128.A N TRP 119.A O no hydrogen 2.944 N/A LEU 129.A N TYR 144.A O no hydrogen 3.106 N/A GLY 130.A N ASN 118.A OD1 no hydrogen 2.915 N/A TRP 131.A N PHE 142.A O no hydrogen 2.964 N/A GLU 132.A N VAL 115.A O no hydrogen 2.807 N/A VAL 133.A N THR 140.A O no hydrogen 2.676 N/A TRP 134.A N ARG 113.A O no hydrogen 2.923 N/A ASP 136.A N ASP 111.A O no hydrogen 3.183 N/A VAL 139.A N VAL 133.A O no hydrogen 2.734 N/A THR 140.A OG1 TYR 96.A OH no hydrogen 2.419 N/A THR 140.A OG1 VAL 139.A O no hydrogen 2.464 N/A GLN 141.A N THR 161.A O no hydrogen 2.998 N/A PHE 142.A N TRP 131.A O no hydrogen 2.803 N/A THR 143.A N GLU 159.A O no hydrogen 2.994 N/A TYR 144.A N LEU 129.A O no hydrogen 2.868 N/A PHE 145.A N SER 157.A O no hydrogen 2.883 N/A GLN 146.A N TRP 127.A O no hydrogen 3.202 N/A GLN 147.A N TRP 127.A O no hydrogen 3.264 N/A GLN 147.A NE2 GLY 125.A O no hydrogen 3.022 N/A VAL 148.A N ILE 151.A O no hydrogen 2.734 N/A GLY 149.A N LEU 124.A O no hydrogen 2.642 N/A GLY 150.A N GLY 125.A O no hydrogen 2.882 N/A ILE 151.A N VAL 148.A O no hydrogen 2.727 N/A VAL 153.A N GLN 146.A O no hydrogen 2.974 N/A ALA 158.A N ILE 85.A O no hydrogen 2.872 N/A GLU 159.A N THR 143.A O no hydrogen 2.814 N/A ILE 160.A N VAL 83.A O no hydrogen 2.770 N/A THR 161.A N GLN 141.A O no hydrogen 2.976 N/A THR 161.A OG1 GLN 82.A OE1 no hydrogen 2.860 N/A TYR 162.A N PHE 81.A O no hydrogen 2.927 N/A TYR 162.A OH SER 99.A OG no hydrogen 3.113 N/A GLY 163.A N VAL 139.A O no hydrogen 3.032 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.427 N/A ILE 167.A N GLY 163.A O no hydrogen 2.945 N/A ALA 168.A N LEU 164.A O no hydrogen 2.839 N/A LEU 170.A N ILE 167.A O no hydrogen 2.947 N/A GLN 171.A N ALA 168.A O no hydrogen 2.845 N/A GLN 171.A NE2 VAL 180.A O no hydrogen 3.322 N/A ASN 172.A N TYR 169.A O no hydrogen 2.942 N/A VAL 176.A N PRO 72.A O no hydrogen 3.166 N/A TYR 177.A N ASN 175.A OD1 no hydrogen 3.059 N/A ASP 178.A N ASN 175.A O no hydrogen 3.097 N/A ILE 179.A N VAL 176.A O no hydrogen 2.900 N/A VAL 180.A N GLN 171.A OE1 no hydrogen 2.772 N/A TRP 181.A N ILE 189.A O no hydrogen 2.779 N/A SER 182.A N ILE 189.A O no hydrogen 3.339 N/A PHE 184.A N GLU 187.A O no hydrogen 3.115 N/A GLY 186.A N GLU 183.A OE2 no hydrogen 2.619 N/A GLU 187.A N PHE 184.A O no hydrogen 3.012 N/A ILE 189.A N SER 182.A O no hydrogen 2.789 N/A LYS 190.A N ASP 193.A OD2 no hydrogen 2.683 N/A LYS 190.A NZ ASP 178.A O no hydrogen 3.364 N/A LYS 190.A NZ ASP 178.A OD1 no hydrogen 3.569 N/A TYR 191.A N ILE 179.A O no hydrogen 2.949 N/A TYR 191.A OH GLU 165.A OE2 no hydrogen 3.044 N/A ALA 192.A N TYR 177.A O no hydrogen 3.118 N/A VAL 194.A N LYS 190.A O no hydrogen 3.219 N/A HIS 195.A N TYR 191.A O no hydrogen 2.818 N/A HIS 195.A NE2 TYR 79.A OH no hydrogen 2.516 N/A LYS 196.A N ALA 192.A O no hydrogen 3.036 N/A GLN 197.A NE2 GLU 201.A OE1 no hydrogen 3.132 N/A SER 198.A OG HIS 195.A O no hydrogen 2.999 N/A GLU 199.A N HIS 195.A O no hydrogen 2.952 N/A TYR 200.A N LYS 196.A O no hydrogen 3.082 N/A GLU 201.A N GLN 197.A O no hydrogen 2.828 N/A PHE 202.A N SER 198.A O no hydrogen 2.793 N/A SER 203.A N GLU 199.A O no hydrogen 3.184 N/A SER 203.A OG GLU 199.A O no hydrogen 2.801 N/A LYS 204.A N TYR 200.A O no hydrogen 2.901 N/A LYS 204.A NZ TYR 200.A OH no hydrogen 3.385 N/A TYR 205.A N GLU 201.A O no hydrogen 2.726 N/A ASN 206.A N PHE 202.A O no hydrogen 2.774 N/A PHE 207.A N SER 203.A O no hydrogen 3.085 N/A GLU 208.A N LYS 204.A O no hydrogen 2.895 N/A VAL 209.A N TYR 205.A O no hydrogen 2.982 N/A SER 210.A N TYR 205.A O no hydrogen 2.893 N/A ILE 214.A N ASP 211.A OD2 no hydrogen 3.238 N/A LEU 215.A N ASP 211.A O no hydrogen 2.994 N/A ASN 216.A N VAL 212.A O no hydrogen 2.813 N/A ASN 216.A ND2 VAL 212.A O no hydrogen 2.577 N/A GLU 217.A N LYS 213.A O no hydrogen 2.910 N/A GLN 218.A N ILE 214.A O no hydrogen 2.754 N/A PHE 219.A N LEU 215.A O no hydrogen 2.924 N/A GLU 220.A N ASN 216.A O no hydrogen 3.130 N/A ASN 221.A N GLU 217.A O no hydrogen 2.838 N/A SER 222.A N GLN 218.A O no hydrogen 3.097 N/A SER 222.A OG GLN 218.A O no hydrogen 2.733 N/A TYR 223.A N PHE 219.A O no hydrogen 3.134 N/A TYR 223.A OH GLU 270.A OE1 no hydrogen 2.739 N/A TYR 223.A OH GLU 270.A OE2 no hydrogen 2.830 N/A LYS 224.A N GLU 220.A O no hydrogen 2.994 N/A GLU 225.A N ASN 221.A O no hydrogen 2.798 N/A CYS 226.A N SER 222.A O no hydrogen 2.758 N/A CYS 226.A SG ALA 238.A O no hydrogen 3.482 N/A LYS 227.A N TYR 223.A O no hydrogen 3.006 N/A LYS 227.A N LYS 224.A O no hydrogen 3.219 N/A ASN 228.A N LYS 224.A O no hydrogen 3.141 N/A ASN 228.A ND2 GLU 225.A OE1 no hydrogen 3.186 N/A ILE 229.A N GLU 225.A O no hydrogen 3.075 N/A LEU 230.A N CYS 226.A O no hydrogen 3.201 N/A GLU 231.A N LYS 227.A O no hydrogen 3.002 N/A GLN 232.A N ILE 229.A O no hydrogen 2.700 N/A GLY 233.A N ILE 229.A O no hydrogen 3.059 N/A GLY 233.A N LEU 230.A O no hydrogen 3.024 N/A LEU 234.A N ILE 229.A O no hydrogen 3.420 N/A ALA 238.A N LEU 234.A O no hydrogen 3.238 N/A TYR 239.A N ALA 235.A O no hydrogen 2.693 N/A TYR 239.A OH PHE 38.A O no hydrogen 2.511 N/A ASP 240.A N LEU 236.A O no hydrogen 3.394 N/A ASP 240.A N PRO 237.A O no hydrogen 3.028 N/A TYR 241.A N ALA 238.A O no hydrogen 2.949 N/A CYS 242.A N ALA 238.A O no hydrogen 3.147 N/A ALA 244.A N TYR 241.A O no hydrogen 3.033 N/A ALA 245.A N CYS 242.A O no hydrogen 3.024 N/A THR 247.A N LEU 243.A O no hydrogen 2.744 N/A THR 247.A OG1 LEU 243.A O no hydrogen 2.801 N/A PHE 248.A N ALA 244.A O no hydrogen 3.137 N/A ASN 249.A N ALA 245.A O no hydrogen 3.094 N/A LEU 250.A N HIS 246.A O no hydrogen 3.093 N/A LEU 251.A N THR 247.A O no hydrogen 2.786 N/A ASP 252.A N PHE 248.A O no hydrogen 2.744 N/A ALA 253.A N ASN 249.A O no hydrogen 2.919 N/A ARG 254.A N LEU 250.A O no hydrogen 2.791 N/A ARG 254.A NE SER 210.A O no hydrogen 2.744 N/A ARG 254.A NH2 SER 210.A O no hydrogen 3.107 N/A GLY 255.A N ASP 252.A O no hydrogen 2.976 N/A ALA 256.A N LEU 251.A O no hydrogen 2.815 N/A SER 258.A N GLN 261.A OE1 no hydrogen 3.285 N/A SER 258.A OG GLN 261.A OE1 no hydrogen 2.626 N/A ARG 262.A N SER 258.A O no hydrogen 2.795 N/A ARG 262.A NH1 ASP 252.A OD2 no hydrogen 2.709 N/A GLN 263.A N ALA 260.A O no hydrogen 2.902 N/A TYR 265.A N GLN 261.A O no hydrogen 2.956 N/A TYR 265.A OH ASN 216.A OD1 no hydrogen 2.520 N/A LYS 267.A N ASP 264.A O no hydrogen 3.462 N/A LYS 267.A NZ ASP 264.A OD2 no hydrogen 3.125 N/A ILE 268.A N TYR 265.A O no hydrogen 2.845 N/A ARG 269.A NH1 PRO 122.A O no hydrogen 3.098 N/A GLU 270.A N LEU 266.A O no hydrogen 2.889 N/A LEU 271.A N LYS 267.A O no hydrogen 2.984 N/A SER 272.A N ILE 268.A O no hydrogen 3.187 N/A SER 272.A OG SER 123.A O no hydrogen 2.644 N/A SER 272.A OG ILE 268.A O no hydrogen 3.060 N/A SER 272.A OG ARG 269.A O no hydrogen 3.469 N/A LYS 273.A N ARG 269.A O no hydrogen 2.883 N/A ASN 274.A N GLU 270.A O no hydrogen 2.924 N/A CYS 275.A N LEU 271.A O no hydrogen 2.691 N/A CYS 275.A SG LEU 271.A O no hydrogen 3.390 N/A ALA 276.A N SER 272.A O no hydrogen 2.931 N/A GLU 277.A N LYS 273.A O no hydrogen 3.003 N/A ILE 278.A N ASN 274.A O no hydrogen 2.974 N/A TYR 279.A N CYS 275.A O no hydrogen 2.932 N/A LYS 280.A N ALA 276.A O no hydrogen 2.856 N/A LYS 281.A N GLU 277.A O no hydrogen 2.945 N/A ASN 282.A N ILE 278.A O no hydrogen 3.106 N/A ASN 282.A ND2 GLY 233.A O no hydrogen 2.736 N/A LEU 283.A N LYS 280.A O no hydrogen 3.189 N/A