Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3p9j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 7.A OD2 no hydrogen 2.740 N/A ASP 7.A N ALA 4.A O no hydrogen 2.965 N/A PHE 8.A N LEU 5.A O no hydrogen 3.379 N/A GLU 9.A N ARG 26.A O no hydrogen 2.911 N/A GLY 11.A N LEU 24.A O no hydrogen 2.616 N/A ARG 12.A NH1 PRO 13.A O no hydrogen 3.380 N/A LEU 14.A N VAL 22.A O no hydrogen 2.691 N/A GLY 17.A N GLY 20.A O no hydrogen 3.239 N/A PHE 19.A N GLY 17.A O no hydrogen 2.772 N/A VAL 22.A N GLY 15.A O no hydrogen 2.770 N/A TYR 23.A N LEU 36.A O no hydrogen 2.974 N/A LEU 24.A N ARG 12.A O no hydrogen 2.942 N/A ALA 25.A N LEU 34.A O no hydrogen 2.803 N/A ARG 26.A N GLU 9.A O no hydrogen 3.058 N/A GLU 27.A N PHE 32.A O no hydrogen 2.964 N/A LYS 28.A N ASP 7.A O no hydrogen 2.772 N/A GLN 29.A N GLU 27.A OE2 no hydrogen 3.040 N/A SER 30.A N GLU 27.A OE1 no hydrogen 2.531 N/A SER 30.A OG GLU 27.A OE1 no hydrogen 2.659 N/A LYS 31.A N GLU 27.A O no hydrogen 2.843 N/A PHE 32.A N SER 30.A OG no hydrogen 3.271 N/A LEU 34.A N ALA 25.A O no hydrogen 2.788 N/A ALA 35.A N LEU 85.A O no hydrogen 2.866 N/A LEU 36.A N TYR 23.A O no hydrogen 2.913 N/A LYS 37.A N LEU 83.A O no hydrogen 2.875 N/A VAL 38.A N ASN 21.A O no hydrogen 2.975 N/A LEU 39.A N VAL 81.A O no hydrogen 2.760 N/A PHE 40.A N PHE 19.A O no hydrogen 3.342 N/A LYS 41.A N THR 79.A O no hydrogen 3.181 N/A LYS 41.A NZ ASP 77.A O no hydrogen 2.759 N/A LEU 44.A N PHE 40.A O no hydrogen 3.221 N/A LEU 44.A N LYS 41.A O no hydrogen 2.800 N/A GLU 45.A N LYS 41.A O no hydrogen 3.182 N/A LYS 46.A N ALA 42.A O no hydrogen 3.251 N/A ALA 47.A N LEU 44.A O no hydrogen 3.059 N/A GLY 48.A N GLU 45.A O no hydrogen 2.634 N/A VAL 49.A N LEU 44.A O no hydrogen 3.252 N/A LEU 53.A N VAL 49.A O no hydrogen 3.056 N/A ARG 54.A N GLU 50.A O no hydrogen 3.440 N/A ARG 55.A N HIS 51.A O no hydrogen 3.352 N/A GLU 56.A N GLN 52.A O no hydrogen 3.150 N/A VAL 57.A N LEU 53.A O no hydrogen 2.726 N/A GLU 58.A N ARG 54.A O no hydrogen 3.002 N/A ILE 59.A N ARG 55.A O no hydrogen 2.959 N/A GLN 60.A N GLU 56.A O no hydrogen 2.808 N/A SER 61.A N VAL 57.A O no hydrogen 3.106 N/A SER 61.A OG GLU 58.A O no hydrogen 2.827 N/A HIS 62.A N ILE 59.A O no hydrogen 3.019 N/A LEU 63.A N GLN 60.A O no hydrogen 2.833 N/A ARG 64.A N TYR 121.A OH no hydrogen 2.795 N/A ASN 67.A ND2 HIS 65.A NE2 no hydrogen 3.354 N/A ILE 68.A N HIS 65.A O no hydrogen 3.296 N/A LEU 69.A N ILE 147.A O no hydrogen 3.033 N/A ARG 70.A N GLU 86.A OE2 no hydrogen 3.207 N/A TYR 72.A N ILE 84.A O no hydrogen 2.885 N/A PHE 75.A N TYR 82.A O no hydrogen 2.922 N/A ASP 77.A N ARG 80.A O no hydrogen 3.014 N/A THR 79.A OG1 ASP 77.A OD1 no hydrogen 3.565 N/A THR 79.A OG1 ASP 77.A OD2 no hydrogen 3.397 N/A ARG 80.A N ASP 77.A OD2 no hydrogen 2.645 N/A VAL 81.A N LEU 39.A O no hydrogen 2.642 N/A TYR 82.A N PHE 75.A O no hydrogen 2.754 N/A LEU 83.A N LYS 37.A O no hydrogen 2.969 N/A ILE 84.A N GLY 73.A O no hydrogen 3.103 N/A LEU 85.A N ALA 35.A O no hydrogen 2.709 N/A GLU 86.A N ARG 70.A O no hydrogen 2.958 N/A LEU 90.A N LEU 139.A O no hydrogen 3.206 N/A VAL 93.A N LEU 137.A O no hydrogen 2.843 N/A TYR 94.A N PRO 134.A O no hydrogen 3.270 N/A ARG 95.A N THR 92.A OG1 no hydrogen 2.907 N/A ARG 95.A NH1 GLN 98.A OE1 no hydrogen 2.792 N/A GLU 96.A N THR 92.A O no hydrogen 3.265 N/A LEU 97.A N VAL 93.A O no hydrogen 2.986 N/A GLN 98.A N TYR 94.A O no hydrogen 3.035 N/A LYS 99.A N ARG 95.A O no hydrogen 2.957 N/A LEU 100.A N GLU 96.A O no hydrogen 2.877 N/A SER 101.A N LEU 97.A O no hydrogen 2.575 N/A PHE 103.A N PHE 183.A O no hydrogen 2.757 N/A ARG 107.A N ASP 104.A OD2 no hydrogen 2.639 N/A ARG 107.A NH1 TYR 111.A OH no hydrogen 3.174 N/A THR 108.A N ASP 104.A O no hydrogen 3.075 N/A THR 108.A OG1 ASP 104.A O no hydrogen 3.126 N/A ALA 109.A N GLU 105.A O no hydrogen 2.994 N/A THR 110.A N GLN 106.A O no hydrogen 3.196 N/A THR 110.A OG1 GLN 106.A O no hydrogen 2.892 N/A TYR 111.A N ARG 107.A O no hydrogen 3.051 N/A TYR 111.A OH GLU 96.A OE2 no hydrogen 2.905 N/A ILE 112.A N THR 108.A O no hydrogen 2.910 N/A THR 113.A N ALA 109.A O no hydrogen 3.030 N/A THR 113.A OG1 ALA 109.A O no hydrogen 2.872 N/A THR 113.A OG1 SER 248.A OG no hydrogen 2.766 N/A GLU 114.A N THR 110.A O no hydrogen 2.978 N/A LEU 115.A N TYR 111.A O no hydrogen 2.840 N/A ALA 116.A N ILE 112.A O no hydrogen 2.675 N/A ASN 117.A N THR 113.A O no hydrogen 2.937 N/A ALA 118.A N GLU 114.A O no hydrogen 3.097 N/A LEU 119.A N LEU 115.A O no hydrogen 2.904 N/A SER 120.A N ALA 116.A O no hydrogen 2.837 N/A SER 120.A OG ALA 116.A O no hydrogen 2.917 N/A TYR 121.A N ASN 117.A O no hydrogen 3.005 N/A CYS 122.A N ALA 118.A O no hydrogen 3.202 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.437 N/A HIS 123.A N LEU 119.A O no hydrogen 3.002 N/A SER 124.A N SER 120.A O no hydrogen 2.888 N/A SER 124.A OG SER 120.A O no hydrogen 3.176 N/A LYS 125.A N CYS 122.A O no hydrogen 3.023 N/A ARG 126.A N HIS 123.A O no hydrogen 3.013 N/A VAL 127.A N CYS 122.A O no hydrogen 2.987 N/A ILE 128.A N SER 153.A O no hydrogen 2.985 N/A HIS 129.A N ASP 172.A OD1 no hydrogen 3.458 N/A HIS 129.A NE2 ASP 149.A OD1 no hydrogen 2.803 N/A ARG 130.A N GLY 151.A O no hydrogen 3.026 N/A LYS 133.A NZ ASP 131.A OD1 no hydrogen 2.912 N/A ASN 136.A N LYS 133.A O no hydrogen 2.948 N/A LEU 137.A N PRO 134.A O no hydrogen 3.223 N/A LEU 138.A N LYS 146.A O no hydrogen 2.983 N/A GLY 140.A N GLU 144.A O no hydrogen 2.845 N/A ALA 142.A N GLU 144.A OE1 no hydrogen 3.045 N/A GLY 143.A N GLY 140.A O no hydrogen 2.751 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.821 N/A LEU 145.A N GLU 114.A OE2 no hydrogen 2.982 N/A LYS 146.A N LEU 138.A O no hydrogen 2.926 N/A LYS 146.A NZ PRO 66.A O no hydrogen 3.172 N/A LYS 146.A NZ GLU 86.A OE1 no hydrogen 2.812 N/A ILE 147.A N ASN 67.A O no hydrogen 2.736 N/A ALA 148.A N ASN 136.A O no hydrogen 2.847 N/A TRP 152.A N PHE 150.A O no hydrogen 2.816 N/A SER 153.A N ILE 128.A O no hydrogen 3.046 N/A TYR 159.A OH GLU 182.A OE2 no hydrogen 2.811 N/A LEU 160.A N LEU 157.A O no hydrogen 3.042 N/A MET 164.A N PRO 161.A O no hydrogen 3.163 N/A ILE 165.A N PRO 161.A O no hydrogen 3.423 N/A GLU 166.A N PRO 162.A O no hydrogen 2.948 N/A GLY 167.A N GLU 163.A O no hydrogen 3.427 N/A LYS 170.A NZ ARG 232.A O no hydrogen 2.827 N/A LYS 170.A NZ PRO 233.A O no hydrogen 3.032 N/A LEU 173.A N LYS 170.A O no hydrogen 3.170 N/A SER 175.A N VAL 171.A O no hydrogen 3.024 N/A SER 175.A OG VAL 171.A O no hydrogen 3.491 N/A LEU 176.A N ASP 172.A O no hydrogen 3.058 N/A GLY 177.A N LEU 173.A O no hydrogen 3.146 N/A VAL 178.A N TRP 174.A O no hydrogen 3.041 N/A LEU 179.A N SER 175.A O no hydrogen 3.008 N/A CYS 180.A N LEU 176.A O no hydrogen 2.717 N/A TYR 181.A N GLY 177.A O no hydrogen 3.195 N/A TYR 181.A OH THR 208.A O no hydrogen 2.749 N/A GLU 182.A N VAL 178.A O no hydrogen 2.894 N/A PHE 183.A N LEU 179.A O no hydrogen 2.827 N/A VAL 185.A N TYR 181.A O no hydrogen 2.948 N/A GLY 186.A N GLU 182.A O no hydrogen 2.704 N/A GLU 191.A N PRO 188.A O no hydrogen 3.250 N/A GLN 196.A N GLN 196.A OE1 no hydrogen 2.738 N/A GLU 197.A N THR 194.A OG1 no hydrogen 3.200 N/A THR 198.A N THR 194.A O no hydrogen 3.106 N/A THR 198.A OG1 THR 194.A O no hydrogen 3.266 N/A TYR 199.A N TYR 195.A O no hydrogen 2.906 N/A LYS 200.A N GLN 196.A O no hydrogen 3.149 N/A ARG 201.A N GLU 197.A O no hydrogen 2.875 N/A ARG 201.A NH1 GLU 206.A O no hydrogen 2.698 N/A ARG 201.A NH2 GLU 191.A O no hydrogen 2.814 N/A ILE 202.A N THR 198.A O no hydrogen 2.951 N/A SER 203.A N TYR 199.A O no hydrogen 3.086 N/A SER 203.A OG GLU 166.A OE2 no hydrogen 2.875 N/A ARG 204.A N LYS 200.A O no hydrogen 3.008 N/A VAL 205.A N ILE 202.A O no hydrogen 2.965 N/A GLU 206.A N ARG 201.A O no hydrogen 2.899 N/A VAL 213.A N PRO 210.A O no hydrogen 3.133 N/A THR 214.A OG1 GLU 105.A OE2 no hydrogen 2.628 N/A ARG 218.A N THR 214.A O no hydrogen 3.077 N/A ARG 218.A NE VAL 213.A O no hydrogen 2.822 N/A ARG 218.A NH2 VAL 213.A O no hydrogen 3.325 N/A ASP 219.A N GLU 215.A O no hydrogen 3.027 N/A LEU 220.A N GLY 216.A O no hydrogen 3.205 N/A ILE 221.A N ALA 217.A O no hydrogen 2.862 N/A SER 222.A N ARG 218.A O no hydrogen 2.852 N/A SER 222.A OG ARG 218.A O no hydrogen 2.787 N/A ARG 223.A N ASP 219.A O no hydrogen 3.270 N/A ARG 223.A N LEU 220.A O no hydrogen 3.145 N/A ARG 223.A NE ASP 219.A OD2 no hydrogen 2.816 N/A ARG 223.A NH2 ASP 219.A OD1 no hydrogen 3.526 N/A ARG 223.A NH2 ASP 219.A OD2 no hydrogen 3.547 N/A LEU 224.A N LEU 220.A O no hydrogen 3.172 N/A LEU 225.A N ILE 221.A O no hydrogen 3.087 N/A HIS 227.A NE2 GLU 166.A OE2 no hydrogen 2.739 N/A GLN 231.A N ASN 228.A O no hydrogen 3.033 N/A ARG 232.A N PRO 229.A O no hydrogen 3.036 N/A ARG 232.A NE LYS 226.A O no hydrogen 3.231 N/A ARG 232.A NH1 GLU 163.A OE1 no hydrogen 3.162 N/A ARG 232.A NH1 LYS 170.A O no hydrogen 3.118 N/A ARG 232.A NH2 GLU 163.A OE2 no hydrogen 2.523 N/A ARG 232.A NH2 LYS 226.A O no hydrogen 2.935 N/A MET 234.A N GLU 237.A OE2 no hydrogen 2.698 N/A VAL 238.A N MET 234.A O no hydrogen 3.205 N/A LEU 239.A N LEU 235.A O no hydrogen 3.089 N/A GLU 240.A N ARG 236.A O no hydrogen 3.222 N/A HIS 241.A N VAL 238.A O no hydrogen 3.056 N/A TRP 243.A NE1 GLU 105.A OE2 no hydrogen 2.728 N/A THR 245.A N HIS 241.A O no hydrogen 2.864 N/A THR 245.A OG1 HIS 241.A O no hydrogen 3.555 N/A THR 245.A OG1 PRO 242.A O no hydrogen 3.380 N/A ALA 246.A N PRO 242.A O no hydrogen 3.179 N/A ASN 247.A N TRP 243.A O no hydrogen 3.181 N/A ASN 247.A ND2 TRP 243.A O no hydrogen 2.487 N/A SER 248.A N ILE 244.A O no hydrogen 2.847 N/A SER 248.A OG ALA 109.A O no hydrogen 3.403 N/A SER 248.A OG THR 113.A OG1 no hydrogen 2.766 N/A SER 249.A N THR 110.A OG1 no hydrogen 3.130 N/A