Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3roh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N VAL 12.A O no hydrogen 2.946 N/A ILE 6.A N ALA 10.A O no hydrogen 3.247 N/A GLY 7.A N ASN 5.A OD1 no hydrogen 3.011 N/A GLU 11.A N LYS 36.A O no hydrogen 2.880 N/A VAL 12.A N GLU 4.A O no hydrogen 2.823 N/A ILE 13.A N PHE 34.A O no hydrogen 2.963 N/A LYS 14.A N ASN 2.A O no hydrogen 2.716 N/A LYS 14.A NZ GLU 4.A OE2 no hydrogen 2.740 N/A ARG 15.A N PHE 32.A O no hydrogen 3.075 N/A GLU 17.A N VAL 30.A O no hydrogen 3.163 N/A VAL 19.A N GLN 28.A O no hydrogen 3.049 N/A SER 20.A OG THR 27.A OG1 no hydrogen 3.120 N/A SER 21.A N VAL 26.A O no hydrogen 2.897 N/A TRP 24.A N SER 21.A OG no hydrogen 3.228 N/A TRP 24.A NE1 ASN 282.A O no hydrogen 3.087 N/A VAL 26.A N SER 21.A O no hydrogen 3.134 N/A THR 27.A N PHE 52.A O no hydrogen 2.988 N/A THR 27.A OG1 SER 20.A OG no hydrogen 3.120 N/A GLN 28.A N VAL 19.A O no hydrogen 2.699 N/A GLN 28.A NE2 ILE 230.A O no hydrogen 3.000 N/A ASN 29.A N GLN 50.A O no hydrogen 2.795 N/A VAL 30.A N GLU 17.A O no hydrogen 3.130 N/A GLN 31.A N LYS 48.A O no hydrogen 2.993 N/A PHE 32.A N ARG 15.A O no hydrogen 2.660 N/A ASP 33.A N ILE 46.A O no hydrogen 3.018 N/A PHE 34.A N ILE 13.A O no hydrogen 2.840 N/A VAL 35.A N ALA 44.A O no hydrogen 2.839 N/A LYS 36.A N GLU 11.A O no hydrogen 2.787 N/A LYS 39.A N ASP 37.A OD2 no hydrogen 3.098 N/A TYR 40.A N ASP 37.A O no hydrogen 2.989 N/A LYS 42.A N TYR 40.A O no hydrogen 2.701 N/A ASP 43.A N HIS 218.A O no hydrogen 3.182 N/A LEU 45.A N LEU 216.A O no hydrogen 2.962 N/A ILE 46.A N ASP 33.A O no hydrogen 2.803 N/A VAL 47.A N THR 214.A O no hydrogen 3.001 N/A LYS 48.A N GLN 31.A O no hydrogen 2.971 N/A LYS 48.A NZ THR 135.A O no hydrogen 2.791 N/A MET 49.A N PHE 212.A O no hydrogen 2.697 N/A GLN 50.A N ASN 29.A O no hydrogen 3.025 N/A PHE 52.A N THR 27.A O no hydrogen 3.093 N/A ILE 53.A N PHE 208.A O no hydrogen 2.765 N/A ASN 54.A N GLY 25.A O no hydrogen 3.028 N/A SER 55.A N SER 206.A O no hydrogen 2.991 N/A SER 55.A OG THR 57.A OG1 no hydrogen 3.292 N/A SER 55.A OG VAL 204.A O no hydrogen 3.095 N/A SER 55.A OG GLN 205.A O no hydrogen 3.068 N/A SER 55.A OG SER 206.A O no hydrogen 2.815 N/A ARG 56.A N ASN 54.A OD1 no hydrogen 2.942 N/A ARG 56.A NH2 LYS 22.A O no hydrogen 3.499 N/A THR 57.A N SER 55.A OG no hydrogen 3.388 N/A THR 57.A OG1 SER 55.A OG no hydrogen 3.292 N/A THR 57.A OG1 VAL 204.A O no hydrogen 2.427 N/A SER 58.A N ILE 74.A O no hydrogen 2.954 N/A SER 60.A N ARG 72.A O no hydrogen 2.831 N/A SER 60.A OG ASP 61.A O no hydrogen 3.523 N/A GLY 66.A N GLU 68.A OE1 no hydrogen 3.231 N/A GLY 66.A N GLU 68.A OE2 no hydrogen 3.089 N/A TYR 67.A N GLY 64.A O no hydrogen 3.283 N/A THR 70.A N TYR 67.A O no hydrogen 3.077 N/A THR 70.A OG1 THR 242.A OG1 no hydrogen 2.893 N/A LYS 71.A N ALA 241.A O no hydrogen 2.959 N/A LYS 71.A NZ GLU 68.A O no hydrogen 2.703 N/A ARG 72.A N SER 60.A O no hydrogen 2.813 N/A MET 73.A N THR 239.A O no hydrogen 2.836 N/A ILE 74.A N SER 58.A O no hydrogen 2.818 N/A TRP 75.A N ASP 237.A O no hydrogen 3.208 N/A TRP 75.A NE1 THR 239.A OG1 no hydrogen 3.097 N/A PHE 77.A N ASN 235.A O no hydrogen 2.858 N/A GLN 78.A N ASN 235.A O no hydrogen 3.408 N/A GLN 78.A NE2 ASN 80.A OD1 no hydrogen 2.782 N/A TYR 79.A N VAL 159.A O no hydrogen 3.019 N/A TYR 79.A OH LEU 203.A O no hydrogen 2.409 N/A ASN 80.A N GLY 233.A O no hydrogen 3.003 N/A ASN 80.A ND2 ASN 235.A OD1 no hydrogen 2.903 N/A ASN 80.A ND2 ASN 262.A OD1 no hydrogen 3.386 N/A ILE 81.A N TRP 157.A O no hydrogen 3.269 N/A GLY 82.A N SER 231.A O no hydrogen 2.913 N/A LEU 83.A N VAL 155.A O no hydrogen 3.097 N/A THR 84.A N GLU 229.A O no hydrogen 3.006 N/A THR 85.A N LYS 153.A O no hydrogen 2.883 N/A THR 85.A OG1 GLU 227.A O no hydrogen 3.018 N/A ASN 89.A N ASP 87.A OD1 no hydrogen 3.019 N/A VAL 90.A N ASP 87.A O no hydrogen 3.192 N/A SER 91.A N SER 217.A O no hydrogen 3.276 N/A LEU 92.A N SER 152.A O no hydrogen 2.753 N/A ILE 93.A N THR 215.A O no hydrogen 3.074 N/A LEU 96.A N ILE 213.A O no hydrogen 3.021 N/A ILE 101.A N SER 145.A O no hydrogen 3.130 N/A THR 103.A OG1 ASP 105.A O no hydrogen 2.807 N/A VAL 106.A N TYR 138.A O no hydrogen 2.806 N/A GLN 108.A N ILE 136.A O no hydrogen 3.154 N/A THR 109.A N ALA 121.A O no hydrogen 2.868 N/A THR 109.A OG1 SER 123.A O no hydrogen 2.772 N/A LEU 110.A N LYS 134.A O no hydrogen 2.747 N/A GLY 111.A N GLN 119.A O no hydrogen 2.793 N/A TYR 112.A N TYR 132.A O no hydrogen 2.710 N/A TYR 112.A OH ASP 37.A OD1 no hydrogen 2.823 N/A ASN 113.A N ASN 117.A O no hydrogen 2.918 N/A ASN 113.A ND2 SER 129.A O no hydrogen 2.999 N/A ILE 114.A N ASN 131.A OD1 no hydrogen 2.871 N/A GLY 115.A N ASP 37.A OD1 no hydrogen 3.022 N/A GLY 116.A N TYR 112.A OH no hydrogen 3.183 N/A ASN 117.A N ASN 113.A O no hydrogen 3.227 N/A GLN 119.A N GLY 111.A O no hydrogen 3.172 N/A ALA 121.A N THR 109.A O no hydrogen 2.923 N/A GLY 125.A N SER 123.A OG no hydrogen 3.335 N/A ASN 131.A N TYR 112.A O no hydrogen 2.815 N/A TYR 132.A N TYR 112.A O no hydrogen 2.962 N/A TYR 132.A OH ASP 33.A OD1 no hydrogen 2.571 N/A LYS 134.A N LEU 110.A O no hydrogen 2.936 N/A LYS 134.A NZ GLN 31.A OE1 no hydrogen 2.590 N/A LYS 134.A NZ ASP 33.A OD1 no hydrogen 2.798 N/A LYS 134.A NZ TYR 132.A OH no hydrogen 3.444 N/A ILE 136.A N GLN 108.A O no hydrogen 2.949 N/A SER 137.A N SER 211.A OG no hydrogen 2.915 N/A TYR 138.A N VAL 106.A O no hydrogen 2.925 N/A TYR 138.A OH SER 145.A OG no hydrogen 2.870 N/A GLN 140.A N THR 104.A O no hydrogen 2.660 N/A GLN 140.A NE2 ILE 101.A O no hydrogen 3.316 N/A GLN 140.A NE2 THR 103.A O no hydrogen 2.804 N/A SER 142.A OG GLU 163.A O no hydrogen 3.050 N/A TYR 143.A N GLN 140.A O no hydrogen 2.680 N/A TYR 143.A OH PRO 76.A O no hydrogen 2.555 N/A VAL 144.A N LYS 160.A O no hydrogen 2.777 N/A SER 145.A N ILE 101.A O no hydrogen 2.987 N/A SER 145.A OG TYR 138.A OH no hydrogen 2.870 N/A SER 145.A OG GLN 140.A OE1 no hydrogen 2.462 N/A GLU 146.A N GLY 158.A O no hydrogen 3.008 N/A LYS 149.A N LYS 156.A O no hydrogen 3.338 N/A ASN 151.A N SER 154.A O no hydrogen 2.861 N/A LYS 153.A NZ ASP 87.A O no hydrogen 3.192 N/A LYS 153.A NZ PRO 88.A O no hydrogen 2.800 N/A LYS 153.A NZ VAL 90.A O no hydrogen 2.676 N/A SER 154.A N ASN 151.A OD1 no hydrogen 2.661 N/A SER 154.A OG ASN 151.A OD1 no hydrogen 2.958 N/A VAL 155.A N LEU 83.A O no hydrogen 3.109 N/A LYS 156.A N LYS 149.A O no hydrogen 2.882 N/A TRP 157.A N ILE 81.A O no hydrogen 2.733 N/A TRP 157.A NE1 PRO 97.A O no hydrogen 2.914 N/A GLY 158.A N GLU 146.A O no hydrogen 2.887 N/A VAL 159.A N TYR 79.A O no hydrogen 2.958 N/A LYS 160.A N VAL 144.A O no hydrogen 2.875 N/A ALA 161.A N PHE 77.A O no hydrogen 2.783 N/A ASN 162.A N SER 142.A O no hydrogen 2.941 N/A PHE 164.A N LYS 171.A O no hydrogen 2.818 N/A THR 166.A N GLY 169.A O no hydrogen 3.032 N/A LYS 171.A N PHE 164.A O no hydrogen 2.962 N/A ALA 173.A N ASN 162.A O no hydrogen 3.007 N/A HIS 174.A N SER 172.A OG no hydrogen 3.303 N/A ASP 175.A N SER 172.A O no hydrogen 3.276 N/A ARG 176.A NE ALA 251.A O no hydrogen 3.249 N/A ARG 176.A NH2 TYR 250.A OH no hydrogen 3.129 N/A ARG 176.A NH2 ALA 251.A O no hydrogen 2.879 N/A TYR 177.A N ASP 175.A OD1 no hydrogen 2.862 N/A LEU 178.A N ASP 175.A O no hydrogen 2.965 N/A VAL 180.A N TYR 177.A O no hydrogen 3.249 N/A GLN 181.A N TYR 193.A O no hydrogen 3.046 N/A GLN 181.A NE2 GLU 192.A O no hydrogen 3.235 N/A GLY 188.A N GLY 185.A O no hydrogen 3.212 N/A ARG 191.A NH1 ARG 191.A O no hydrogen 3.043 N/A ARG 191.A NH1 PHE 194.A O no hydrogen 3.140 N/A ARG 191.A NH1 ALA 195.A O no hydrogen 2.742 N/A ARG 191.A NH2 ALA 195.A O no hydrogen 2.605 N/A ARG 191.A NH2 ASP 197.A OD2 no hydrogen 2.703 N/A TYR 193.A N ALA 190.A O no hydrogen 2.973 N/A PHE 194.A N ARG 191.A O no hydrogen 2.947 N/A ALA 195.A N PHE 179.A O no hydrogen 2.728 N/A GLN 199.A N PRO 196.A O no hydrogen 2.943 N/A LEU 200.A N ASP 197.A O no hydrogen 3.183 N/A VAL 204.A N PRO 201.A O no hydrogen 2.855 N/A GLN 205.A N PRO 201.A O no hydrogen 2.843 N/A GLN 205.A NE2 LEU 200.A O no hydrogen 3.331 N/A SER 206.A N PRO 202.A O no hydrogen 2.815 N/A GLY 207.A N PRO 202.A O no hydrogen 2.948 N/A PHE 208.A N ILE 53.A O no hydrogen 2.801 N/A ASN 209.A ND2 GLY 51.A O no hydrogen 2.942 N/A SER 211.A OG GLN 50.A OE1 no hydrogen 3.349 N/A SER 211.A OG SER 137.A O no hydrogen 3.411 N/A PHE 212.A N MET 49.A O no hydrogen 2.972 N/A ILE 213.A N LEU 96.A O no hydrogen 3.100 N/A THR 214.A N VAL 47.A O no hydrogen 2.967 N/A THR 214.A OG1 ASN 94.A O no hydrogen 3.174 N/A THR 215.A N ASN 94.A O no hydrogen 3.101 N/A THR 215.A N ASN 94.A OD1 no hydrogen 2.885 N/A THR 215.A OG1 ASN 94.A OD1 no hydrogen 2.495 N/A LEU 216.A N LEU 45.A O no hydrogen 2.823 N/A SER 217.A N SER 91.A O no hydrogen 2.806 N/A HIS 218.A N ASP 43.A O no hydrogen 2.972 N/A HIS 218.A ND1 ASP 43.A OD1 no hydrogen 3.152 N/A THR 225.A OG1 GLU 268.A OE1 no hydrogen 3.328 N/A SER 226.A N VAL 269.A O no hydrogen 3.142 N/A SER 226.A OG ASP 87.A OD2 no hydrogen 2.504 N/A PHE 228.A N TYR 267.A O no hydrogen 3.007 N/A GLU 229.A N THR 84.A O no hydrogen 2.817 N/A ILE 230.A N VAL 265.A O no hydrogen 3.026 N/A SER 231.A N GLY 82.A O no hydrogen 2.736 N/A TYR 232.A N PHE 263.A O no hydrogen 3.295 N/A TYR 232.A OH GLN 50.A O no hydrogen 2.615 N/A GLY 233.A N ASN 80.A O no hydrogen 2.946 N/A ARG 234.A N ARG 261.A O no hydrogen 3.099 N/A ARG 234.A NE ASN 54.A O no hydrogen 2.634 N/A ARG 234.A NH1 TRP 24.A O no hydrogen 3.131 N/A ARG 234.A NH2 TRP 24.A O no hydrogen 2.923 N/A ASN 235.A N GLN 78.A O no hydrogen 2.862 N/A LEU 236.A N PHE 258.A O no hydrogen 2.894 N/A ASP 237.A N TRP 75.A O no hydrogen 2.951 N/A ILE 238.A N LYS 254.A O no hydrogen 3.016 N/A THR 239.A N MET 73.A O no hydrogen 2.890 N/A TYR 240.A N GLU 252.A O no hydrogen 3.026 N/A ALA 241.A N LYS 71.A O no hydrogen 2.909 N/A THR 242.A N TYR 250.A O no hydrogen 2.694 N/A THR 242.A OG1 THR 70.A OG1 no hydrogen 2.893 N/A LEU 243.A N LEU 69.A O no hydrogen 2.963 N/A PHE 244.A N GLY 248.A O no hydrogen 2.900 N/A THR 247.A N PHE 244.A O no hydrogen 2.827 N/A THR 247.A OG1 PRO 245.A O no hydrogen 3.565 N/A GLY 248.A N PHE 244.A O no hydrogen 3.047 N/A TYR 250.A N THR 242.A O no hydrogen 2.777 N/A ALA 251.A N TYR 177.A OH no hydrogen 3.434 N/A GLU 252.A N TYR 240.A O no hydrogen 3.043 N/A ARG 253.A NH1 ALA 173.A O no hydrogen 2.782 N/A ARG 253.A NH1 ASP 237.A OD2 no hydrogen 3.217 N/A ARG 253.A NH2 ALA 173.A O no hydrogen 2.748 N/A ARG 253.A NH2 ASP 175.A O no hydrogen 2.760 N/A LYS 254.A N ILE 238.A O no hydrogen 2.898 N/A ASN 256.A N ASP 237.A OD1 no hydrogen 2.741 N/A PHE 258.A N LEU 236.A O no hydrogen 3.044 N/A ASN 260.A N ASN 235.A OD1 no hydrogen 2.790 N/A ARG 261.A N ARG 234.A O no hydrogen 3.097 N/A ARG 261.A NH2 VAL 259.A O no hydrogen 2.966 N/A PHE 263.A N TYR 232.A O no hydrogen 2.780 N/A VAL 264.A N ASN 282.A OD1 no hydrogen 2.722 N/A VAL 265.A N ILE 230.A O no hydrogen 3.112 N/A ARG 266.A N GLY 280.A O no hydrogen 2.726 N/A ARG 266.A NE GLU 227.A OE1 no hydrogen 3.294 N/A TYR 267.A N PHE 228.A O no hydrogen 2.866 N/A TYR 267.A OH GLN 28.A OE1 no hydrogen 2.781 N/A GLU 268.A N LYS 277.A O no hydrogen 2.944 N/A VAL 269.A N SER 226.A O no hydrogen 2.815 N/A ASN 270.A N GLU 275.A O no hydrogen 2.831 N/A TRP 271.A NE1 SER 226.A OG no hydrogen 3.116 N/A THR 273.A N ASN 270.A OD1 no hydrogen 3.481 N/A THR 273.A OG1 GLU 275.A OE1 no hydrogen 3.202 N/A GLU 275.A N ASN 270.A O no hydrogen 3.210 N/A LYS 277.A N GLU 268.A O no hydrogen 3.181 N/A LYS 279.A N ARG 266.A O no hydrogen 2.760 N/A GLY 280.A N ARG 266.A O no hydrogen 3.347 N/A HIS 281.A ND1 ASN 282.A OXT no hydrogen 2.907 N/A ASN 282.A ND2 ASN 262.A O no hydrogen 2.895 N/A