Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qmw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N SER 1.A O no hydrogen 3.220 N/A ALA 17.A N ASP 15.A OD1 no hydrogen 3.072 N/A ALA 18.A N ASP 15.A O no hydrogen 2.852 N/A ALA 19.A N ASP 15.A O no hydrogen 2.969 N/A ARG 22.A N ASP 88.A O no hydrogen 2.902 N/A ARG 22.A NE HIS 87.A O no hydrogen 3.238 N/A ARG 22.A NH1 ALA 19.A O no hydrogen 3.498 N/A ARG 22.A NH1 HIS 87.A O no hydrogen 2.965 N/A ARG 22.A NH2 PRO 16.A O no hydrogen 2.980 N/A ARG 22.A NH2 ALA 19.A O no hydrogen 2.615 N/A LEU 23.A N ALA 48.A O no hydrogen 3.108 N/A VAL 24.A N ALA 90.A O no hydrogen 2.815 N/A CYS 25.A N VAL 50.A O no hydrogen 3.098 N/A CYS 25.A SG LEU 23.A O no hydrogen 3.280 N/A PHE 26.A N PHE 92.A O no hydrogen 2.967 N/A TYR 28.A OH ASN 230.A OD1 no hydrogen 3.231 N/A GLY 30.A N ASP 171.A OD2 no hydrogen 2.702 N/A GLY 31.A N TYR 28.A O no hydrogen 3.102 N/A VAL 33.A N GLN 53.A OE1 no hydrogen 3.491 N/A SER 34.A N THR 32.A OG1 no hydrogen 2.998 N/A SER 34.A OG THR 32.A OG1 no hydrogen 2.723 N/A ALA 35.A N THR 32.A O no hydrogen 3.214 N/A PHE 36.A N VAL 33.A O no hydrogen 2.938 N/A ARG 37.A N SER 34.A O no hydrogen 3.105 N/A ARG 37.A NH1 SER 34.A O no hydrogen 3.380 N/A TRP 39.A N PHE 36.A O no hydrogen 3.345 N/A GLN 40.A NE2 GLY 44.A O no hydrogen 2.875 N/A GLN 40.A NE2 VAL 47.A O no hydrogen 2.350 N/A GLU 41.A N GLU 41.A OE1 no hydrogen 2.652 N/A ARG 42.A N GLY 38.A O no hydrogen 3.183 N/A ARG 42.A NH1 ASP 236.A OD1 no hydrogen 2.602 N/A ARG 42.A NH2 ASP 236.A OD1 no hydrogen 3.024 N/A LEU 43.A N TRP 39.A O no hydrogen 2.864 N/A LEU 43.A N GLN 40.A O no hydrogen 3.289 N/A GLY 44.A N GLN 40.A O no hydrogen 3.054 N/A ALA 48.A N LEU 21.A O no hydrogen 2.849 N/A VAL 49.A N GLN 40.A OE1 no hydrogen 2.604 N/A VAL 50.A N LEU 23.A O no hydrogen 3.173 N/A VAL 52.A N CYS 25.A O no hydrogen 2.955 N/A GLY 56.A N ARG 60.A O no hydrogen 2.986 N/A ARG 57.A NE LEU 54.A O no hydrogen 3.050 N/A ARG 57.A NH1 PRO 55.A O no hydrogen 3.303 N/A ARG 57.A NH1 ASP 171.A OD1 no hydrogen 2.909 N/A ARG 57.A NH1 ASP 171.A OD2 no hydrogen 3.351 N/A ARG 57.A NH2 GLY 31.A O no hydrogen 2.945 N/A ARG 57.A NH2 ASP 171.A OD2 no hydrogen 2.791 N/A ARG 60.A N ARG 57.A O no hydrogen 2.668 N/A ARG 60.A NE GLU 63.A OE1 no hydrogen 2.703 N/A ARG 60.A NH1 GLN 53.A O no hydrogen 2.794 N/A ARG 60.A NH2 GLU 63.A OE1 no hydrogen 2.927 N/A LEU 61.A N GLY 58.A O no hydrogen 3.278 N/A GLU 63.A N ARG 60.A O no hydrogen 2.958 N/A THR 68.A OG1 ASP 67.A OD1 no hydrogen 3.379 N/A LEU 72.A N THR 68.A O no hydrogen 3.357 N/A ALA 73.A N MET 69.A O no hydrogen 2.860 N/A GLU 74.A N GLU 70.A O no hydrogen 3.075 N/A ALA 75.A N PRO 71.A O no hydrogen 3.003 N/A VAL 76.A N LEU 72.A O no hydrogen 2.946 N/A ALA 77.A N ALA 73.A O no hydrogen 2.937 N/A ASP 78.A N GLU 74.A O no hydrogen 2.877 N/A ALA 79.A N ALA 75.A O no hydrogen 2.902 N/A LEU 80.A N VAL 76.A O no hydrogen 2.765 N/A GLU 81.A N ALA 77.A O no hydrogen 3.022 N/A GLU 82.A N ASP 78.A O no hydrogen 2.959 N/A HIS 83.A N ALA 79.A O no hydrogen 3.237 N/A ARG 84.A N GLU 81.A O no hydrogen 2.845 N/A LEU 85.A N LEU 80.A O no hydrogen 3.064 N/A TYR 89.A OH PRO 114.A O no hydrogen 2.856 N/A ALA 90.A N ARG 22.A O no hydrogen 2.728 N/A LEU 91.A N HIS 118.A O no hydrogen 3.227 N/A PHE 92.A N VAL 24.A O no hydrogen 2.882 N/A GLY 93.A N PHE 120.A O no hydrogen 3.006 N/A HIS 94.A N PHE 26.A O no hydrogen 3.450 N/A HIS 94.A ND1 SER 122.A OG no hydrogen 2.607 N/A HIS 94.A NE2 HIS 226.A O no hydrogen 2.743 N/A SER 95.A N SER 122.A O no hydrogen 2.763 N/A SER 95.A OG HIS 226.A NE2 no hydrogen 3.390 N/A GLY 97.A N HIS 94.A O no hydrogen 2.925 N/A ALA 98.A N SER 95.A O no hydrogen 2.958 N/A LEU 100.A N MET 96.A O no hydrogen 3.137 N/A ALA 101.A N GLY 97.A O no hydrogen 2.953 N/A TYR 102.A N ALA 98.A O no hydrogen 2.830 N/A GLU 103.A N LEU 99.A O no hydrogen 2.909 N/A VAL 104.A N LEU 100.A O no hydrogen 2.766 N/A ALA 105.A N ALA 101.A O no hydrogen 2.983 N/A CYS 106.A N TYR 102.A O no hydrogen 3.054 N/A CYS 106.A SG TYR 102.A O no hydrogen 3.337 N/A VAL 107.A N GLU 103.A O no hydrogen 2.952 N/A LEU 108.A N VAL 104.A O no hydrogen 3.016 N/A ARG 109.A N ALA 105.A O no hydrogen 3.190 N/A ARG 109.A NH1 PRO 185.A O no hydrogen 2.613 N/A ARG 109.A NH2 PRO 184.A O no hydrogen 2.943 N/A ARG 110.A N CYS 106.A O no hydrogen 3.245 N/A ARG 111.A N VAL 107.A O no hydrogen 3.078 N/A ARG 111.A N LEU 108.A O no hydrogen 3.242 N/A ARG 111.A NH1 ASP 78.A OD1 no hydrogen 2.688 N/A ARG 111.A NH1 GLU 81.A OE1 no hydrogen 2.742 N/A ARG 111.A NH2 GLU 74.A O no hydrogen 3.461 N/A ARG 111.A NH2 GLU 74.A OE1 no hydrogen 2.430 N/A ARG 111.A NH2 ASP 78.A OD1 no hydrogen 2.754 N/A GLY 112.A N ARG 109.A O no hydrogen 3.028 N/A ALA 113.A N LEU 108.A O no hydrogen 2.970 N/A ARG 117.A N TYR 89.A O no hydrogen 2.943 N/A HIS 118.A NE2 THR 191.A OG1 no hydrogen 2.989 N/A LEU 119.A N PRO 189.A O no hydrogen 3.085 N/A PHE 120.A N LEU 91.A O no hydrogen 2.770 N/A VAL 121.A N THR 191.A O no hydrogen 2.907 N/A SER 122.A N GLY 93.A O no hydrogen 2.862 N/A SER 122.A OG HIS 94.A ND1 no hydrogen 2.607 N/A GLY 123.A N PHE 193.A O no hydrogen 2.731 N/A SER 124.A OG SER 95.A O no hydrogen 3.467 N/A SER 124.A OG ARG 125.A O no hydrogen 2.828 N/A SER 124.A OG TYR 130.A OH no hydrogen 2.751 N/A ARG 125.A NH1 LEU 129.A O no hydrogen 3.440 N/A ARG 125.A NH1 ASP 132.A OD2 no hydrogen 2.980 N/A ALA 126.A N MET 205.A O no hydrogen 3.232 N/A HIS 128.A N TYR 212.A OH no hydrogen 3.078 N/A HIS 128.A ND1 TYR 212.A OH no hydrogen 2.540 N/A LEU 129.A N ALA 126.A O no hydrogen 2.980 N/A TYR 130.A N PRO 127.A O no hydrogen 2.956 N/A TYR 130.A OH SER 124.A OG no hydrogen 2.751 N/A ASP 132.A N ASP 132.A OD1 no hydrogen 2.465 N/A ARG 133.A NH2 ASP 135.A OD2 no hydrogen 3.276 N/A ASP 135.A N GLU 176.A OE2 no hydrogen 2.654 N/A HIS 136.A N GLU 176.A OE1 no hydrogen 2.922 N/A HIS 136.A ND1 GLU 176.A OE1 no hydrogen 2.597 N/A THR 137.A N ALA 134.A O no hydrogen 3.017 N/A THR 137.A OG1 ALA 134.A O no hydrogen 2.663 N/A LEU 138.A N ASP 135.A O no hydrogen 3.308 N/A ALA 142.A N SER 139.A OG no hydrogen 3.272 N/A LEU 143.A N SER 139.A O no hydrogen 2.793 N/A ARG 144.A N ASP 140.A O no hydrogen 3.127 N/A GLU 145.A N THR 141.A O no hydrogen 3.010 N/A VAL 146.A N ALA 142.A O no hydrogen 3.133 N/A ILE 147.A N LEU 143.A O no hydrogen 3.092 N/A ARG 148.A N ARG 144.A O no hydrogen 2.773 N/A ARG 148.A NH1 ASP 149.A OD2 no hydrogen 2.784 N/A ASP 149.A N GLU 145.A O no hydrogen 2.860 N/A LEU 150.A N VAL 146.A O no hydrogen 2.967 N/A GLY 151.A N ARG 148.A O no hydrogen 3.274 N/A GLY 152.A N ILE 147.A O no hydrogen 2.933 N/A TYR 160.A N LEU 156.A O no hydrogen 2.607 N/A ARG 164.A N TYR 160.A O no hydrogen 3.096 N/A ARG 164.A N PHE 161.A O no hydrogen 2.760 N/A LEU 168.A N ARG 164.A O no hydrogen 2.854 N/A ARG 169.A N LEU 165.A O no hydrogen 3.074 N/A ARG 169.A NH1 HIS 136.A O no hydrogen 2.769 N/A ARG 169.A NH1 LEU 138.A O no hydrogen 2.902 N/A ARG 169.A NH2 LEU 138.A O no hydrogen 2.739 N/A ARG 169.A NH2 ASP 140.A OD1 no hydrogen 3.216 N/A ALA 170.A N PRO 166.A O no hydrogen 3.258 N/A ASP 171.A N VAL 167.A O no hydrogen 3.013 N/A LEU 172.A N LEU 168.A O no hydrogen 2.938 N/A ARG 173.A N ARG 169.A O no hydrogen 2.836 N/A ARG 173.A NH2 ASP 67.A O no hydrogen 2.733 N/A ALA 174.A N ALA 170.A O no hydrogen 3.150 N/A CYS 175.A N ASP 171.A O no hydrogen 3.340 N/A CYS 175.A N LEU 172.A O no hydrogen 3.184 N/A CYS 175.A SG ASP 171.A O no hydrogen 3.580 N/A GLU 176.A N LEU 172.A O no hydrogen 2.747 N/A ARG 177.A N ARG 173.A O no hydrogen 2.790 N/A TYR 178.A N CYS 175.A O no hydrogen 3.177 N/A TYR 178.A OH GLU 103.A OE2 no hydrogen 2.389 N/A TRP 180.A NE1 TYR 102.A OH no hydrogen 3.049 N/A ARG 183.A NE HIS 181.A O no hydrogen 3.041 N/A ARG 183.A NH1 GLU 103.A OE1 no hydrogen 2.684 N/A ARG 183.A NH1 GLU 103.A OE2 no hydrogen 2.705 N/A ARG 183.A NH2 GLU 103.A OE2 no hydrogen 2.825 N/A ARG 183.A NH2 HIS 181.A O no hydrogen 3.062 N/A LEU 186.A N TYR 212.A O no hydrogen 2.879 N/A CYS 188.A SG PRO 189.A O no hydrogen 4.001 N/A THR 190.A N SER 216.A O no hydrogen 2.978 N/A THR 190.A OG1 CYS 188.A O no hydrogen 3.114 N/A THR 191.A N LEU 119.A O no hydrogen 3.096 N/A THR 191.A OG1 HIS 118.A NE2 no hydrogen 2.989 N/A THR 191.A OG1 GLU 245.A OE1 no hydrogen 2.520 N/A ALA 192.A N LEU 218.A O no hydrogen 2.880 N/A PHE 193.A N VAL 121.A O no hydrogen 2.708 N/A SER 194.A N ARG 220.A O no hydrogen 3.181 N/A SER 194.A OG HIS 221.A ND1 no hydrogen 3.371 N/A ALA 196.A N LEU 222.A O no hydrogen 2.829 N/A ALA 197.A N GLY 224.A O no hydrogen 2.917 N/A ASP 198.A N ALA 195.A O no hydrogen 3.199 N/A ILE 200.A N ASP 198.A OD1 no hydrogen 3.035 N/A ALA 201.A N ASP 198.A OD1 no hydrogen 3.018 N/A THR 202.A OG1 GLU 204.A OE1 no hydrogen 3.237 N/A MET 205.A N THR 202.A OG1 no hydrogen 3.316 N/A VAL 206.A N THR 202.A O no hydrogen 2.976 N/A GLU 207.A N PRO 203.A O no hydrogen 2.804 N/A TRP 209.A N VAL 206.A O no hydrogen 3.074 N/A TRP 209.A NE1 SER 124.A O no hydrogen 2.740 N/A ARG 210.A N GLU 207.A O no hydrogen 3.075 N/A ARG 210.A NH2 GLU 207.A OE2 no hydrogen 3.047 N/A TYR 212.A N TRP 209.A O no hydrogen 2.988 N/A TYR 212.A OH HIS 128.A ND1 no hydrogen 2.540 N/A THR 213.A N ARG 210.A O no hydrogen 3.529 N/A THR 213.A OG1 LEU 186.A O no hydrogen 3.511 N/A THR 213.A OG1 CYS 188.A O no hydrogen 2.649 N/A THR 214.A N LEU 186.A O no hydrogen 3.039 N/A THR 214.A OG1 ASP 187.A OD1 no hydrogen 2.921 N/A GLY 215.A N THR 213.A OG1 no hydrogen 2.991 N/A LEU 218.A N THR 190.A O no hydrogen 3.245 N/A ARG 219.A NE GLU 207.A OE1 no hydrogen 2.694 N/A ARG 219.A NH1 SER 194.A OG no hydrogen 2.459 N/A ARG 220.A N ALA 192.A O no hydrogen 3.074 N/A LEU 222.A N SER 194.A O no hydrogen 2.899 N/A HIS 226.A ND1 ASP 198.A OD1 no hydrogen 3.008 N/A HIS 226.A ND1 ASP 198.A OD2 no hydrogen 2.790 N/A PHE 227.A N ASN 225.A OD1 no hydrogen 2.979 N/A ASN 230.A N PHE 227.A O no hydrogen 3.111 N/A ASP 236.A N GLY 232.A O no hydrogen 3.317 N/A ARG 237.A N PRO 233.A O no hydrogen 2.987 N/A LEU 238.A N SER 234.A O no hydrogen 2.954 N/A LEU 239.A N ARG 235.A O no hydrogen 2.900 N/A ALA 240.A N ASP 236.A O no hydrogen 2.836 N/A HIS 241.A N ARG 237.A O no hydrogen 2.844 N/A LEU 242.A N LEU 238.A O no hydrogen 2.927 N/A GLY 243.A N LEU 239.A O no hydrogen 2.812 N/A THR 244.A N ALA 240.A O no hydrogen 3.152 N/A THR 244.A OG1 HIS 241.A O no hydrogen 2.750 N/A GLU 245.A N LEU 242.A O no hydrogen 3.367 N/A LEU 246.A N LEU 242.A O no hydrogen 3.250 N/A