Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1r78_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N MET 1.A O no hydrogen 3.249 N/A GLN 5.A N ARG 22.A O no hydrogen 2.881 N/A VAL 7.A N LYS 20.A O no hydrogen 2.751 N/A GLU 8.A N LYS 20.A O no hydrogen 3.118 N/A ILE 10.A N VAL 18.A O no hydrogen 2.787 N/A GLY 11.A N VAL 18.A O no hydrogen 3.335 N/A GLY 13.A N GLY 16.A O no hydrogen 2.660 N/A THR 14.A N ASP 136.A OD1 no hydrogen 3.088 N/A THR 14.A OG1 ASP 136.A O no hydrogen 3.565 N/A THR 14.A OG1 ASP 136.A OD1 no hydrogen 3.055 N/A VAL 18.A N GLY 11.A O no hydrogen 2.874 N/A TYR 19.A N LEU 32.A O no hydrogen 2.808 N/A LYS 20.A N GLU 8.A O no hydrogen 2.784 N/A ALA 21.A N VAL 30.A O no hydrogen 2.943 N/A ARG 22.A N GLN 5.A O no hydrogen 2.815 N/A ASN 23.A N GLU 28.A O no hydrogen 2.785 N/A LYS 24.A N ASN 3.A O no hydrogen 2.884 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 3.168 N/A GLY 27.A N ASN 23.A O no hydrogen 2.690 N/A VAL 30.A N ALA 21.A O no hydrogen 2.918 N/A ALA 31.A N PHE 71.A O no hydrogen 2.946 N/A LEU 32.A N TYR 19.A O no hydrogen 2.718 N/A LYS 33.A N LEU 69.A O no hydrogen 2.792 N/A LYS 33.A NZ ASP 136.A OD1 no hydrogen 3.430 N/A LYS 34.A N VAL 17.A O no hydrogen 2.967 N/A ILE 35.A N LEU 67.A O no hydrogen 2.851 N/A GLU 42.A N THR 38.A O no hydrogen 3.003 N/A ILE 43.A N ALA 39.A O no hydrogen 2.890 N/A SER 44.A N ILE 40.A O no hydrogen 3.083 N/A SER 44.A OG ILE 40.A O no hydrogen 2.823 N/A LEU 45.A N ARG 41.A O no hydrogen 3.144 N/A LEU 46.A N GLU 42.A O no hydrogen 3.093 N/A LYS 47.A N ILE 43.A O no hydrogen 3.017 N/A GLU 48.A N LEU 45.A O no hydrogen 3.132 N/A LEU 49.A N LEU 46.A O no hydrogen 2.983 N/A ASN 50.A ND2 LYS 47.A O no hydrogen 3.386 N/A ASN 53.A ND2 GLN 101.A OE1 no hydrogen 3.055 N/A ASN 53.A ND2 ILE 132.A O no hydrogen 2.947 N/A ILE 54.A N HIS 51.A O no hydrogen 3.122 N/A VAL 55.A N LEU 134.A O no hydrogen 2.908 N/A LYS 56.A N GLU 72.A OE1 no hydrogen 2.941 N/A LEU 58.A N VAL 70.A O no hydrogen 2.657 N/A ASP 59.A N VAL 70.A O no hydrogen 3.117 N/A ILE 61.A N TYR 68.A O no hydrogen 2.867 N/A THR 63.A N LYS 66.A O no hydrogen 3.258 N/A TYR 68.A N ILE 61.A O no hydrogen 2.996 N/A LEU 69.A N LYS 33.A O no hydrogen 2.875 N/A VAL 70.A N ASP 59.A O no hydrogen 2.852 N/A PHE 71.A N ALA 31.A O no hydrogen 2.771 N/A GLU 72.A N LYS 56.A O no hydrogen 2.838 N/A LEU 78.A N LEU 124.A O no hydrogen 2.722 N/A LYS 79.A N PRO 121.A O no hydrogen 3.235 N/A LYS 79.A NZ ASP 83.A OD1 no hydrogen 2.667 N/A LYS 79.A NZ ASP 83.A OD2 no hydrogen 2.910 N/A LYS 80.A N ASP 77.A OD1 no hydrogen 3.230 N/A PHE 81.A N ASP 77.A O no hydrogen 3.201 N/A MET 82.A N LEU 78.A O no hydrogen 2.717 N/A ASP 83.A N LYS 79.A O no hydrogen 2.765 N/A ALA 84.A N LYS 80.A O no hydrogen 2.829 N/A SER 85.A N MET 82.A O no hydrogen 3.009 N/A SER 85.A OG PHE 81.A O no hydrogen 3.111 N/A ALA 86.A N ASP 83.A O no hydrogen 3.421 N/A THR 88.A N SER 85.A O no hydrogen 3.297 N/A THR 88.A OG1 SER 85.A O no hydrogen 3.515 N/A GLY 89.A N SER 85.A O no hydrogen 2.564 N/A ILE 95.A N PRO 91.A O no hydrogen 3.008 N/A LYS 96.A N LEU 92.A O no hydrogen 2.842 N/A LYS 96.A NZ PHE 260.A O no hydrogen 3.150 N/A LYS 96.A NZ ASP 263.A OD1 no hydrogen 2.713 N/A LYS 96.A NZ ASP 263.A OD2 no hydrogen 3.549 N/A SER 97.A N PRO 93.A O no hydrogen 2.963 N/A TYR 98.A N LEU 94.A O no hydrogen 3.004 N/A LEU 99.A N ILE 95.A O no hydrogen 2.912 N/A PHE 100.A N LYS 96.A O no hydrogen 2.933 N/A GLN 101.A N SER 97.A O no hydrogen 2.955 N/A GLN 101.A NE2 SER 97.A O no hydrogen 3.498 N/A GLN 101.A NE2 SER 97.A OG no hydrogen 2.990 N/A GLN 101.A NE2 GLY 130.A O no hydrogen 3.043 N/A LEU 102.A N TYR 98.A O no hydrogen 3.034 N/A LEU 103.A N LEU 99.A O no hydrogen 2.949 N/A GLN 104.A N PHE 100.A O no hydrogen 3.049 N/A GLY 105.A N GLN 101.A O no hydrogen 2.943 N/A LEU 106.A N LEU 102.A O no hydrogen 2.854 N/A ALA 107.A N LEU 103.A O no hydrogen 2.882 N/A PHE 108.A N GLN 104.A O no hydrogen 3.089 N/A CYS 109.A N GLY 105.A O no hydrogen 2.968 N/A CYS 109.A SG GLY 105.A O no hydrogen 3.368 N/A HIS 110.A N LEU 106.A O no hydrogen 2.731 N/A HIS 110.A NE2 ASP 160.A OD2 no hydrogen 2.862 N/A SER 111.A N ALA 107.A O no hydrogen 2.939 N/A SER 111.A OG PHE 108.A O no hydrogen 2.662 N/A SER 111.A OG HIS 112.A ND1 no hydrogen 3.405 N/A HIS 112.A N CYS 109.A O no hydrogen 2.957 N/A HIS 112.A ND1 PHE 108.A O no hydrogen 3.133 N/A ARG 113.A N HIS 110.A O no hydrogen 2.973 N/A VAL 114.A N CYS 109.A O no hydrogen 2.895 N/A HIS 116.A N ASP 160.A OD2 no hydrogen 2.777 N/A HIS 116.A NE2 ALA 135.A O no hydrogen 2.774 N/A ARG 117.A N ASP 160.A OD1 no hydrogen 2.910 N/A ARG 117.A NH1 TYR 155.A OH no hydrogen 3.206 N/A ASP 118.A N HIS 116.A ND1 no hydrogen 3.041 N/A LYS 120.A N ASN 123.A OD1 no hydrogen 3.117 N/A GLN 122.A N GLN 122.A OE1 no hydrogen 2.823 N/A ASN 123.A N LYS 120.A O no hydrogen 3.053 N/A ASN 123.A ND2 ASP 118.A O no hydrogen 2.801 N/A LEU 124.A N PRO 121.A O no hydrogen 3.362 N/A LEU 125.A N LYS 133.A O no hydrogen 2.986 N/A ILE 126.A N GLN 76.A O no hydrogen 2.834 N/A ASN 127.A N ALA 131.A O no hydrogen 3.269 N/A GLU 129.A N ASN 127.A OD1 no hydrogen 3.005 N/A GLY 130.A N ASN 127.A O no hydrogen 3.475 N/A ALA 131.A N ASN 127.A OD1 no hydrogen 3.065 N/A ILE 132.A N GLN 101.A OE1 no hydrogen 3.218 N/A LYS 133.A N LEU 125.A O no hydrogen 2.738 N/A LYS 133.A NZ GLU 72.A OE1 no hydrogen 3.254 N/A LYS 133.A NZ GLU 72.A OE2 no hydrogen 2.824 N/A LEU 134.A N ASN 53.A O no hydrogen 2.799 N/A TYR 143.A OH GLU 170.A OE1 no hydrogen 2.541 N/A TYR 143.A OH GLU 170.A OE2 no hydrogen 3.292 N/A ARG 144.A N LEU 141.A O no hydrogen 3.016 N/A ARG 144.A NH1.B ASP 118.A OD1 no hydrogen 2.909 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.694 N/A LEU 149.A N ALA 145.A O no hydrogen 3.318 N/A LEU 150.A N PRO 146.A O no hydrogen 2.868 N/A GLY 151.A N ILE 148.A O no hydrogen 3.030 N/A CYS 152.A N GLU 147.A O no hydrogen 2.827 N/A ALA 158.A N SER 156.A OG no hydrogen 3.092 N/A VAL 159.A N SER 156.A O no hydrogen 2.987 N/A ASP 160.A N THR 157.A O no hydrogen 3.070 N/A TRP 162.A N ALA 158.A O no hydrogen 3.073 N/A SER 163.A N VAL 159.A O no hydrogen 3.133 N/A SER 163.A OG TYR 143.A O no hydrogen 2.673 N/A SER 163.A OG VAL 159.A O no hydrogen 3.212 N/A LEU 164.A N ASP 160.A O no hydrogen 2.895 N/A GLY 165.A N ILE 161.A O no hydrogen 2.923 N/A CYS 166.A N TRP 162.A O no hydrogen 3.089 N/A CYS 166.A SG TRP 162.A O no hydrogen 3.557 N/A ILE 167.A N SER 163.A O no hydrogen 3.079 N/A PHE 168.A N LEU 164.A O no hydrogen 2.829 N/A ALA 169.A N GLY 165.A O no hydrogen 2.978 N/A GLU 170.A N CYS 166.A O no hydrogen 3.074 N/A MET 171.A N ILE 167.A O no hydrogen 2.892 N/A VAL 172.A N PHE 168.A O no hydrogen 3.161 N/A THR 173.A N ALA 169.A O no hydrogen 2.944 N/A THR 173.A OG1 ALA 169.A O no hydrogen 3.084 N/A ARG 174.A N GLU 170.A O no hydrogen 2.907 N/A ARG 174.A NH1 ALA 86.A O no hydrogen 3.260 N/A ARG 175.A N THR 173.A OG1 no hydrogen 3.199 N/A GLY 180.A N PHE 178.A O no hydrogen 2.913 N/A GLY 180.A N GLN 186.A OE1 no hydrogen 2.900 N/A ASP 181.A N ASP 185.A OD2 no hydrogen 2.936 N/A ASP 185.A N SER 182.A OG no hydrogen 3.235 N/A GLN 186.A N SER 182.A O no hydrogen 2.866 N/A GLN 186.A NE2 PHE 178.A O no hydrogen 2.854 N/A LEU 187.A N GLU 183.A O no hydrogen 2.837 N/A PHE 188.A N ILE 184.A O no hydrogen 2.705 N/A ARG 189.A N ASP 185.A O no hydrogen 2.825 N/A ARG 189.A NE ASP 185.A OD2 no hydrogen 3.130 N/A ILE 190.A N GLN 186.A O no hydrogen 3.111 N/A PHE 191.A N LEU 187.A O no hydrogen 2.925 N/A ARG 192.A N PHE 188.A O no hydrogen 2.943 N/A THR 193.A N ARG 189.A O no hydrogen 3.323 N/A THR 193.A N ILE 190.A O no hydrogen 3.212 N/A THR 193.A OG1 ARG 189.A O no hydrogen 3.398 N/A LEU 194.A N ILE 190.A O no hydrogen 2.888 N/A THR 196.A N TRP 218.A O no hydrogen 3.062 N/A THR 196.A OG1 PRO 216.A O no hydrogen 2.831 N/A VAL 200.A N ASP 198.A OD1 no hydrogen 2.863 N/A VAL 201.A N ASP 198.A OD1 no hydrogen 3.112 N/A TRP 202.A N ASP 198.A O no hydrogen 2.997 N/A GLY 204.A N GLU 199.A OE1 no hydrogen 2.796 N/A VAL 205.A N TRP 202.A O no hydrogen 3.099 N/A THR 206.A N GLU 199.A OE2 no hydrogen 3.076 N/A THR 206.A OG1 GLU 199.A OE2 no hydrogen 2.544 N/A SER 207.A N GLY 204.A O no hydrogen 2.833 N/A MET 208.A N VAL 205.A O no hydrogen 3.301 N/A ASP 210.A N LEU 150.A O no hydrogen 2.962 N/A TYR 211.A N MET 208.A O no hydrogen 2.985 N/A PHE 215.A N LYS 212.A O no hydrogen 2.841 N/A TRP 218.A N THR 196.A OG1 no hydrogen 2.946 N/A ARG 220.A NH1 LEU 194.A O no hydrogen 3.081 N/A GLN 221.A N THR 193.A O no hydrogen 2.909 N/A ASP 222.A N GLN 221.A OE1 no hydrogen 3.133 N/A SER 224.A OG ASP 222.A OD2 no hydrogen 3.436 N/A LYS 225.A N ASP 222.A O no hydrogen 3.312 N/A VAL 226.A N PHE 223.A O no hydrogen 3.146 N/A LEU 230.A N VAL 227.A O no hydrogen 2.812 N/A GLY 234.A N ASP 231.A OD1 no hydrogen 2.987 N/A ARG 235.A N ASP 231.A O no hydrogen 2.971 N/A ARG 235.A NH1 LEU 230.A O no hydrogen 2.696 N/A SER 236.A N GLU 232.A O no hydrogen 2.965 N/A SER 236.A OG HIS 258.A NE2 no hydrogen 3.156 N/A LEU 237.A N ASP 233.A O no hydrogen 2.967 N/A LEU 238.A N GLY 234.A O no hydrogen 2.834 N/A SER 239.A N ARG 235.A O no hydrogen 2.924 N/A SER 239.A OG ARG 235.A O no hydrogen 3.508 N/A SER 239.A OG SER 236.A O no hydrogen 2.783 N/A GLN 240.A N SER 236.A O no hydrogen 3.178 N/A MET 241.A N LEU 237.A O no hydrogen 2.946 N/A LEU 242.A N LEU 238.A O no hydrogen 2.965 N/A LEU 242.A N SER 239.A O no hydrogen 3.342 N/A TYR 244.A OH GLY 195.A O no hydrogen 2.594 N/A ASN 247.A N ASP 245.A OD1 no hydrogen 2.963 N/A ASN 247.A ND2 ASP 245.A OD1 no hydrogen 3.538 N/A LYS 248.A N ASP 245.A O no hydrogen 2.989 N/A ARG 249.A N ASP 245.A O no hydrogen 3.008 N/A ARG 249.A NE HIS 243.A O no hydrogen 2.879 N/A ARG 249.A NH1 GLU 147.A OE1 no hydrogen 3.410 N/A ARG 249.A NH1 GLU 147.A OE2 no hydrogen 2.895 N/A ARG 249.A NH1 ALA 158.A O no hydrogen 2.859 N/A ARG 249.A NH2 GLU 147.A OE1 no hydrogen 2.957 N/A ARG 249.A NH2 HIS 243.A O no hydrogen 3.182 N/A ARG 249.A NH2 TYR 244.A O no hydrogen 2.978 N/A ILE 250.A N GLN 240.A O no hydrogen 3.047 N/A ALA 254.A N SER 251.A OG no hydrogen 3.017 N/A ALA 255.A N SER 251.A O no hydrogen 2.984 N/A LEU 256.A N ALA 252.A O no hydrogen 3.154 N/A ALA 257.A N ALA 254.A O no hydrogen 3.037 N/A HIS 258.A N ALA 255.A O no hydrogen 3.038 N/A HIS 258.A NE2 SER 236.A OG no hydrogen 3.156 N/A PHE 260.A N HIS 258.A ND1 no hydrogen 2.882 N/A PHE 261.A N HIS 258.A O no hydrogen 2.894 N/A GLN 262.A N PRO 259.A O no hydrogen 3.103 N/A VAL 264.A N PHE 261.A O no hydrogen 3.354 N/A