Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x3f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N LEU 13.A O no hydrogen 2.922 N/A VAL 5.A N ARG 2.A O no hydrogen 3.331 N/A LEU 7.A N TYR 11.A O no hydrogen 2.760 N/A SER 8.A OG TYR 89.A OH no hydrogen 2.787 N/A GLY 9.A N THR 6.A O no hydrogen 3.310 N/A ARG 10.A N LEU 7.A O no hydrogen 3.046 N/A ARG 10.A NE ASP 30.A OD1 no hydrogen 2.822 N/A ARG 10.A NH2 ASP 30.A OD2 no hydrogen 3.214 N/A TYR 11.A N LEU 7.A O no hydrogen 3.093 N/A TYR 11.A OH ASP 75.A OD2 no hydrogen 2.874 N/A ARG 12.A N VAL 29.A O no hydrogen 2.974 N/A ARG 12.A NH2 GLN 14.A OE1 no hydrogen 2.803 N/A LEU 13.A N VAL 5.A O no hydrogen 3.098 N/A GLN 14.A N GLU 27.A O no hydrogen 2.885 N/A GLN 14.A NE2 GLU 27.A OE2 no hydrogen 3.058 N/A ARG 15.A N GLU 27.A O no hydrogen 3.377 N/A ARG 15.A NH1 GLU 27.A OE1 no hydrogen 3.257 N/A ARG 15.A NH1 GLU 27.A OE2 no hydrogen 3.001 N/A ILE 17.A N VAL 25.A O no hydrogen 2.747 N/A ALA 18.A N VAL 25.A O no hydrogen 3.176 N/A GLY 20.A N GLY 23.A O no hydrogen 2.992 N/A GLN 24.A N VAL 41.A O no hydrogen 3.024 N/A VAL 25.A N ALA 18.A O no hydrogen 2.900 N/A TRP 26.A N VAL 39.A O no hydrogen 2.748 N/A GLU 27.A N ARG 15.A O no hydrogen 2.730 N/A ALA 28.A N VAL 37.A O no hydrogen 2.949 N/A VAL 29.A N ARG 12.A O no hydrogen 2.880 N/A ASP 30.A N ARG 35.A O no hydrogen 2.970 N/A ASN 31.A N ARG 10.A O no hydrogen 2.763 N/A ARG 32.A N ASP 30.A OD1 no hydrogen 3.039 N/A LEU 33.A N ASP 30.A OD1 no hydrogen 3.480 N/A GLY 34.A N ASP 30.A O no hydrogen 2.813 N/A VAL 37.A N ALA 28.A O no hydrogen 2.834 N/A ALA 38.A N MET 92.A O no hydrogen 3.024 N/A VAL 39.A N TRP 26.A O no hydrogen 2.802 N/A LYS 40.A N LEU 90.A O no hydrogen 2.859 N/A VAL 41.A N GLN 24.A O no hydrogen 2.805 N/A LEU 42.A N ALA 88.A O no hydrogen 2.986 N/A LYS 43.A N MET 22.A O no hydrogen 3.130 N/A ASP 48.A N PHE 45.A O no hydrogen 3.136 N/A GLU 53.A N PRO 49.A O no hydrogen 3.384 N/A ARG 54.A N GLU 50.A O no hydrogen 3.499 N/A PHE 55.A N PHE 51.A O no hydrogen 2.853 N/A ARG 56.A N ILE 52.A O no hydrogen 3.306 N/A ALA 57.A N GLU 53.A O no hydrogen 3.309 N/A GLU 58.A N ARG 54.A O no hydrogen 3.063 N/A ALA 59.A N PHE 55.A O no hydrogen 2.795 N/A ARG 60.A N ARG 56.A O no hydrogen 2.993 N/A THR 61.A N ALA 57.A O no hydrogen 3.448 N/A THR 61.A OG1 ALA 57.A O no hydrogen 3.212 N/A THR 61.A OG1 GLU 58.A O no hydrogen 2.933 N/A THR 62.A N GLU 58.A O no hydrogen 3.132 N/A THR 62.A OG1 GLU 58.A O no hydrogen 2.614 N/A ALA 63.A N ALA 59.A O no hydrogen 2.930 N/A MET 64.A N ARG 60.A O no hydrogen 3.214 N/A LEU 65.A N THR 62.A O no hydrogen 3.268 N/A GLY 69.A N HIS 67.A ND1 no hydrogen 3.106 N/A ILE 70.A N HIS 67.A O no hydrogen 3.274 N/A ALA 71.A N ILE 153.A O no hydrogen 2.991 N/A SER 72.A N GLU 93.A OE1 no hydrogen 3.112 N/A HIS 74.A N VAL 91.A O no hydrogen 2.962 N/A ASP 75.A N VAL 91.A O no hydrogen 3.378 N/A TYR 76.A N ASP 75.A OD1 no hydrogen 2.782 N/A GLY 77.A N TYR 89.A O no hydrogen 3.069 N/A SER 79.A N THR 87.A O no hydrogen 3.067 N/A MET 81.A N GLY 85.A O no hydrogen 3.411 N/A GLU 84.A N MET 81.A O no hydrogen 2.999 N/A GLY 85.A N MET 81.A O no hydrogen 3.062 N/A THR 87.A N SER 79.A O no hydrogen 3.196 N/A THR 87.A OG1 SER 79.A O no hydrogen 3.446 N/A TYR 89.A N GLY 77.A O no hydrogen 2.814 N/A TYR 89.A OH SER 8.A OG no hydrogen 2.787 N/A LEU 90.A N LYS 40.A O no hydrogen 3.056 N/A VAL 91.A N ASP 75.A O no hydrogen 2.848 N/A MET 92.A N ALA 38.A O no hydrogen 2.809 N/A GLU 93.A N SER 72.A O no hydrogen 2.799 N/A GLU 98.A N ILE 146.A O no hydrogen 2.887 N/A LEU 100.A N ILE 144.A O no hydrogen 2.831 N/A SER 102.A N PRO 99.A O no hydrogen 3.044 N/A SER 102.A OG GLU 98.A OE2 no hydrogen 2.647 N/A VAL 103.A N PRO 99.A O no hydrogen 3.349 N/A LEU 104.A N LEU 100.A O no hydrogen 2.903 N/A LYS 105.A N ASN 101.A O no hydrogen 3.026 N/A ARG 106.A N SER 102.A O no hydrogen 3.330 N/A ARG 106.A N VAL 103.A O no hydrogen 3.219 N/A ARG 106.A NE GLU 98.A OE2 no hydrogen 3.186 N/A ARG 106.A NH2 GLU 98.A OE1 no hydrogen 2.994 N/A ARG 106.A NH2 GLU 98.A OE2 no hydrogen 3.185 N/A THR 107.A N VAL 103.A O no hydrogen 2.883 N/A THR 107.A OG1 VAL 103.A O no hydrogen 2.830 N/A GLY 108.A N LEU 104.A O no hydrogen 2.869 N/A ARG 109.A NH2 ASP 225.A OD1 no hydrogen 2.707 N/A LEU 110.A N ALA 196.A O no hydrogen 2.911 N/A ALA 115.A N SER 111.A O no hydrogen 2.881 N/A LEU 116.A N LEU 112.A O no hydrogen 3.036 N/A ASP 117.A N ARG 113.A O no hydrogen 3.155 N/A MET 118.A N HIS 114.A O no hydrogen 3.181 N/A LEU 119.A N ALA 115.A O no hydrogen 3.246 N/A GLU 120.A N LEU 116.A O no hydrogen 3.077 N/A GLN 121.A N ASP 117.A O no hydrogen 3.140 N/A GLN 121.A NE2 ASP 117.A OD1 no hydrogen 3.465 N/A GLN 121.A NE2 GLY 149.A O no hydrogen 3.634 N/A THR 122.A N MET 118.A O no hydrogen 2.835 N/A THR 122.A OG1 MET 118.A O no hydrogen 2.589 N/A GLY 123.A N LEU 119.A O no hydrogen 2.926 N/A ARG 124.A N GLU 120.A O no hydrogen 2.891 N/A ARG 124.A NH1 GLU 120.A OE2 no hydrogen 2.790 N/A ALA 125.A N GLN 121.A O no hydrogen 3.060 N/A LEU 126.A N THR 122.A O no hydrogen 2.871 N/A GLN 127.A N GLY 123.A O no hydrogen 2.963 N/A HIS 130.A N LEU 126.A O no hydrogen 2.865 N/A HIS 130.A NE2 ASP 185.A OD2 no hydrogen 2.819 N/A ALA 131.A N GLN 127.A O no hydrogen 2.798 N/A ALA 132.A N ILE 128.A O no hydrogen 3.332 N/A GLY 133.A N HIS 130.A O no hydrogen 3.233 N/A LEU 134.A N ALA 129.A O no hydrogen 2.886 N/A HIS 136.A N ASP 185.A OD2 no hydrogen 2.861 N/A HIS 136.A NE2 THR 154.A O no hydrogen 2.756 N/A ARG 137.A N ASP 185.A OD1 no hydrogen 3.011 N/A ARG 137.A NH1 GLY 157.A O no hydrogen 2.921 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.297 N/A ASN 143.A N LYS 140.A O no hydrogen 2.955 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.802 N/A ILE 144.A N PRO 141.A O no hydrogen 3.154 N/A LEU 145.A N LYS 152.A O no hydrogen 2.871 N/A ILE 146.A N GLU 98.A O no hydrogen 2.746 N/A THR 147.A N GLN 150.A O no hydrogen 2.912 N/A THR 147.A OG1 GLN 150.A O no hydrogen 2.937 N/A VAL 151.A N GLN 121.A OE1 no hydrogen 2.849 N/A LYS 152.A N LEU 145.A O no hydrogen 2.824 N/A LYS 152.A NZ PRO 68.A O no hydrogen 3.144 N/A LYS 152.A NZ GLU 93.A OE1 no hydrogen 3.239 N/A LYS 152.A NZ GLU 93.A OE2 no hydrogen 3.013 N/A ILE 153.A N GLY 69.A O no hydrogen 2.960 N/A THR 154.A N ASN 143.A O no hydrogen 2.879 N/A THR 154.A OG1 ASN 143.A O no hydrogen 3.524 N/A THR 154.A OG1 ASP 155.A OD2 no hydrogen 3.138 N/A GLY 157.A N HIS 136.A O no hydrogen 2.832 N/A ILE 158.A N PHE 156.A O no hydrogen 2.910 N/A GLN 168.A N MET 164.A O no hydrogen 2.915 N/A TYR 169.A OH GLU 195.A OE1 no hydrogen 2.602 N/A ALA 171.A N GLN 174.A OE1 no hydrogen 3.313 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.781 N/A GLN 174.A NE2 ARG 137.A O no hydrogen 3.120 N/A ALA 175.A N ALA 171.A O no hydrogen 3.014 N/A LEU 176.A N PRO 172.A O no hydrogen 2.956 N/A GLY 177.A N GLN 174.A O no hydrogen 3.068 N/A HIS 178.A N GLU 173.A O no hydrogen 2.850 N/A SER 181.A N SER 184.A OG no hydrogen 3.083 N/A SER 184.A N SER 181.A O no hydrogen 2.801 N/A SER 184.A OG GLU 173.A OE2 no hydrogen 2.611 N/A SER 184.A OG SER 181.A O no hydrogen 3.245 N/A VAL 186.A N PRO 182.A O no hydrogen 3.149 N/A TYR 187.A N ALA 183.A O no hydrogen 3.006 N/A TYR 187.A OH HIS 214.A ND1 no hydrogen 2.871 N/A SER 188.A N SER 184.A O no hydrogen 2.976 N/A SER 188.A OG TYR 169.A O no hydrogen 2.720 N/A SER 188.A OG SER 184.A O no hydrogen 3.204 N/A LEU 189.A N ASP 185.A O no hydrogen 2.873 N/A GLY 190.A N VAL 186.A O no hydrogen 2.989 N/A VAL 191.A N TYR 187.A O no hydrogen 3.021 N/A VAL 192.A N SER 188.A O no hydrogen 3.044 N/A GLY 193.A N LEU 189.A O no hydrogen 2.784 N/A TYR 194.A N GLY 190.A O no hydrogen 2.728 N/A TYR 194.A OH PRO 220.A O no hydrogen 2.713 N/A GLU 195.A N VAL 191.A O no hydrogen 3.108 N/A ALA 196.A N VAL 192.A O no hydrogen 2.904 N/A VAL 197.A N GLY 193.A O no hydrogen 2.961 N/A SER 198.A N TYR 194.A O no hydrogen 2.963 N/A SER 198.A OG TYR 194.A O no hydrogen 2.764 N/A GLY 199.A N GLU 195.A O no hydrogen 2.770 N/A LYS 200.A N SER 198.A OG no hydrogen 3.205 N/A ARG 201.A NH1 TYR 169.A OH no hydrogen 2.873 N/A ALA 211.A N ALA 208.A O no hydrogen 2.898 N/A MET 212.A N LEU 209.A O no hydrogen 3.025 N/A LYS 213.A NZ ALA 204.A O no hydrogen 2.776 N/A HIS 214.A N VAL 210.A O no hydrogen 3.176 N/A HIS 214.A ND1 TYR 187.A OH no hydrogen 2.871 N/A HIS 214.A NE2 GLN 168.A O no hydrogen 3.142 N/A ILE 215.A N MET 212.A O no hydrogen 3.114 N/A LYS 216.A N MET 212.A O no hydrogen 2.875 N/A LEU 226.A N PRO 223.A O no hydrogen 3.336 N/A ARG 231.A N PRO 227.A O no hydrogen 3.117 N/A ARG 231.A NH2 PRO 223.A O no hydrogen 2.931 N/A GLU 232.A N PRO 228.A O no hydrogen 2.900 N/A LEU 233.A N ASN 229.A O no hydrogen 3.172 N/A ILE 234.A N VAL 230.A O no hydrogen 3.289 N/A GLU 235.A N ARG 231.A O no hydrogen 3.153 N/A ILE 236.A N GLU 232.A O no hydrogen 2.915 N/A THR 237.A OG1 ILE 234.A O no hydrogen 2.798 N/A LEU 238.A N GLU 235.A O no hydrogen 3.319 N/A LYS 240.A NZ HIS 214.A O no hydrogen 2.759 N/A LYS 240.A NZ GLU 217.A O no hydrogen 2.803 N/A ALA 243.A N ASN 241.A OD1 no hydrogen 3.215 N/A MET 244.A N ASN 241.A O no hydrogen 3.059 N/A ARG 245.A N PRO 242.A O no hydrogen 3.436 N/A ARG 245.A NE ALA 183.A O no hydrogen 3.160 N/A ARG 245.A NH1 VAL 239.A O no hydrogen 2.650 N/A ARG 245.A NH2 GLU 173.A OE1 no hydrogen 3.137 N/A ARG 245.A NH2 GLU 173.A OE2 no hydrogen 2.662 N/A ARG 245.A NH2 ALA 183.A O no hydrogen 3.059 N/A TYR 246.A OH PRO 266.A O no hydrogen 2.837 N/A GLY 249.A N HIS 130.A ND1 no hydrogen 3.139 N/A GLY 250.A N GLN 127.A OE1 no hydrogen 2.736 N/A ALA 253.A N GLY 249.A O no hydrogen 2.801 N/A ASP 254.A N GLY 250.A O no hydrogen 2.893 N/A ALA 255.A N PRO 251.A O no hydrogen 3.099 N/A VAL 256.A N PHE 252.A O no hydrogen 2.947 N/A ALA 257.A N ALA 253.A O no hydrogen 2.988 N/A ALA 258.A N ASP 254.A O no hydrogen 3.160 N/A VAL 259.A N ALA 255.A O no hydrogen 3.140 N/A ARG 260.A N VAL 256.A O no hydrogen 2.933 N/A ARG 260.A NE GLU 120.A OE1 no hydrogen 3.092 N/A ARG 260.A NH2 GLU 120.A OE1 no hydrogen 2.766 N/A ALA 261.A N ALA 257.A O no hydrogen 3.080 N/A GLY 262.A N ALA 258.A O no hydrogen 3.129 N/A GLY 262.A N VAL 259.A O no hydrogen 2.967 N/A ARG 263.A N ALA 258.A O no hydrogen 2.872 N/A THR 271.A OG1 ALA 243.A O no hydrogen 3.025 N/A