Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1mq4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 7.A OD2 no hydrogen 2.992 N/A ASP 7.A N ALA 4.A O no hydrogen 3.049 N/A PHE 8.A N LEU 5.A O no hydrogen 3.027 N/A GLU 9.A N ARG 26.A O no hydrogen 2.823 N/A GLY 11.A N LEU 24.A O no hydrogen 2.783 N/A ARG 12.A NH2 PRO 13.A O no hydrogen 3.214 N/A LEU 14.A N VAL 22.A O no hydrogen 2.688 N/A GLY 15.A N VAL 22.A O no hydrogen 3.424 N/A GLY 17.A N GLY 20.A O no hydrogen 2.964 N/A ASN 21.A ND2 TYR 23.A OH no hydrogen 3.103 N/A VAL 22.A N GLY 15.A O no hydrogen 2.987 N/A TYR 23.A N LEU 36.A O no hydrogen 2.710 N/A LEU 24.A N ARG 12.A O no hydrogen 2.969 N/A ALA 25.A N LEU 34.A O no hydrogen 2.839 N/A ARG 26.A N GLU 9.A O no hydrogen 2.880 N/A ARG 26.A NH2 GLU 9.A OE2 no hydrogen 2.861 N/A GLU 27.A N PHE 32.A O no hydrogen 2.927 N/A LYS 28.A N ASP 7.A O no hydrogen 2.932 N/A LYS 28.A NZ GLU 6.A O no hydrogen 2.813 N/A GLN 29.A N GLU 27.A OE2 no hydrogen 3.019 N/A SER 30.A N GLU 27.A OE1 no hydrogen 2.856 N/A SER 30.A OG GLU 27.A OE1 no hydrogen 2.541 N/A LYS 31.A N GLU 27.A O no hydrogen 2.799 N/A PHE 32.A N SER 30.A OG no hydrogen 3.129 N/A LEU 34.A N ALA 25.A O no hydrogen 2.855 N/A ALA 35.A N LEU 85.A O no hydrogen 2.918 N/A LEU 36.A N TYR 23.A O no hydrogen 2.647 N/A LYS 37.A N LEU 83.A O no hydrogen 2.792 N/A LYS 37.A NZ GLU 56.A OE1 no hydrogen 2.880 N/A VAL 38.A N ASN 21.A O no hydrogen 2.984 N/A LEU 39.A N VAL 81.A O no hydrogen 2.848 N/A PHE 40.A N PHE 19.A O no hydrogen 2.912 N/A LYS 41.A N THR 79.A O no hydrogen 2.871 N/A LYS 41.A NZ HIS 76.A ND1 no hydrogen 3.047 N/A LYS 41.A NZ ASP 77.A O no hydrogen 3.248 N/A LEU 44.A N PHE 40.A O no hydrogen 3.119 N/A GLU 45.A N LYS 41.A O no hydrogen 3.112 N/A LYS 46.A N ALA 42.A O no hydrogen 3.124 N/A ALA 47.A N GLN 43.A O no hydrogen 3.027 N/A GLY 48.A N LEU 44.A O no hydrogen 2.754 N/A VAL 49.A N LEU 44.A O no hydrogen 3.309 N/A HIS 51.A NE2 THR 161.A OG1 no hydrogen 2.991 N/A GLN 52.A N VAL 49.A O no hydrogen 2.963 N/A LEU 53.A N VAL 49.A O no hydrogen 3.376 N/A ARG 54.A N GLU 50.A O no hydrogen 3.138 N/A ARG 55.A N HIS 51.A O no hydrogen 2.989 N/A GLU 56.A N GLN 52.A O no hydrogen 2.967 N/A VAL 57.A N LEU 53.A O no hydrogen 3.120 N/A GLU 58.A N ARG 54.A O no hydrogen 2.984 N/A ILE 59.A N ARG 55.A O no hydrogen 2.721 N/A GLN 60.A N GLU 56.A O no hydrogen 2.827 N/A SER 61.A N VAL 57.A O no hydrogen 3.082 N/A SER 61.A OG VAL 57.A O no hydrogen 2.383 N/A SER 61.A OG GLU 58.A O no hydrogen 3.556 N/A HIS 62.A N ILE 59.A O no hydrogen 3.265 N/A LEU 63.A N ILE 59.A O no hydrogen 3.405 N/A ARG 64.A N TYR 121.A OH no hydrogen 2.829 N/A ARG 64.A NH2 SER 61.A O no hydrogen 2.603 N/A ARG 64.A NH2 LEU 63.A O no hydrogen 3.568 N/A ASN 67.A ND2 HIS 65.A NE2 no hydrogen 3.475 N/A ILE 68.A N HIS 65.A O no hydrogen 3.064 N/A LEU 69.A N ILE 147.A O no hydrogen 2.788 N/A ARG 70.A N GLU 86.A OE2 no hydrogen 3.006 N/A TYR 72.A N ILE 84.A O no hydrogen 2.832 N/A PHE 75.A N TYR 82.A O no hydrogen 2.928 N/A ASP 77.A N ARG 80.A O no hydrogen 3.041 N/A THR 79.A N ASP 77.A OD1 no hydrogen 3.299 N/A ARG 80.A N ASP 77.A OD1 no hydrogen 3.057 N/A VAL 81.A N LEU 39.A O no hydrogen 2.785 N/A TYR 82.A N PHE 75.A O no hydrogen 2.783 N/A TYR 82.A OH ASP 77.A OD2 no hydrogen 2.980 N/A LEU 83.A N LYS 37.A O no hydrogen 2.784 N/A ILE 84.A N GLY 73.A O no hydrogen 2.875 N/A LEU 85.A N ALA 35.A O no hydrogen 2.786 N/A GLU 86.A N ARG 70.A O no hydrogen 2.983 N/A LEU 90.A N LEU 139.A O no hydrogen 3.087 N/A GLY 91.A N ALA 88.A O no hydrogen 3.398 N/A VAL 93.A N LEU 137.A O no hydrogen 2.888 N/A TYR 94.A N PRO 134.A O no hydrogen 3.214 N/A ARG 95.A N THR 92.A OG1 no hydrogen 2.951 N/A GLU 96.A N THR 92.A O no hydrogen 3.117 N/A LEU 97.A N VAL 93.A O no hydrogen 2.868 N/A GLN 98.A N TYR 94.A O no hydrogen 3.075 N/A LYS 99.A N ARG 95.A O no hydrogen 2.881 N/A LYS 99.A NZ GLU 96.A OE1 no hydrogen 3.415 N/A LYS 99.A NZ GLU 96.A OE2 no hydrogen 2.742 N/A LEU 100.A N GLU 96.A O no hydrogen 2.990 N/A PHE 103.A N PHE 195.A O no hydrogen 2.717 N/A ARG 107.A N ASP 104.A OD1 no hydrogen 2.906 N/A ARG 107.A NH1 TYR 111.A OH no hydrogen 3.359 N/A THR 108.A N ASP 104.A O no hydrogen 3.113 N/A THR 108.A OG1 ASP 104.A O no hydrogen 3.031 N/A ALA 109.A N GLU 105.A O no hydrogen 2.906 N/A THR 110.A N GLN 106.A O no hydrogen 3.011 N/A THR 110.A OG1 GLN 106.A O no hydrogen 2.734 N/A THR 110.A OG1 SER 261.A OG no hydrogen 3.367 N/A TYR 111.A N ARG 107.A O no hydrogen 2.938 N/A ILE 112.A N THR 108.A O no hydrogen 2.876 N/A THR 113.A N ALA 109.A O no hydrogen 2.964 N/A THR 113.A OG1 ALA 109.A O no hydrogen 2.884 N/A THR 113.A OG1 SER 260.A OG no hydrogen 3.160 N/A GLU 114.A N THR 110.A O no hydrogen 2.997 N/A LEU 115.A N TYR 111.A O no hydrogen 2.897 N/A ALA 116.A N ILE 112.A O no hydrogen 2.760 N/A ASN 117.A N THR 113.A O no hydrogen 3.006 N/A ALA 118.A N GLU 114.A O no hydrogen 3.074 N/A LEU 119.A N LEU 115.A O no hydrogen 2.858 N/A SER 120.A N ALA 116.A O no hydrogen 2.892 N/A SER 120.A OG ALA 116.A O no hydrogen 2.866 N/A TYR 121.A N ASN 117.A O no hydrogen 3.106 N/A CYS 122.A N ALA 118.A O no hydrogen 3.044 N/A CYS 122.A SG ALA 118.A O no hydrogen 3.517 N/A HIS 123.A N LEU 119.A O no hydrogen 2.807 N/A HIS 123.A NE2 ASP 184.A OD2 no hydrogen 3.009 N/A SER 124.A N SER 120.A O no hydrogen 3.022 N/A SER 124.A OG TYR 121.A O no hydrogen 2.571 N/A LYS 125.A N CYS 122.A O no hydrogen 2.972 N/A ARG 126.A N HIS 123.A O no hydrogen 2.790 N/A ARG 126.A NH2 GLU 181.A OE1 no hydrogen 3.185 N/A ARG 126.A NH2 GLU 181.A OE2 no hydrogen 3.496 N/A VAL 127.A N CYS 122.A O no hydrogen 2.921 N/A ILE 128.A N VAL 154.A O no hydrogen 2.923 N/A HIS 129.A N ASP 184.A OD2 no hydrogen 2.800 N/A HIS 129.A NE2 ALA 148.A O no hydrogen 2.940 N/A ARG 130.A N ASP 184.A OD1 no hydrogen 2.940 N/A ARG 130.A NE TRP 152.A O no hydrogen 2.840 N/A ARG 130.A NH1 SER 159.A O no hydrogen 3.056 N/A ARG 130.A NH1 HIS 179.A NE2 no hydrogen 2.931 N/A ARG 130.A NH2 TRP 152.A O no hydrogen 2.967 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 2.915 N/A LYS 133.A NZ ASP 131.A OD1 no hydrogen 2.786 N/A GLU 135.A N GLU 135.A OE2 no hydrogen 2.745 N/A ASN 136.A N LYS 133.A O no hydrogen 2.822 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.867 N/A ASN 136.A ND2 ASP 131.A OD2 no hydrogen 2.966 N/A LEU 137.A N PRO 134.A O no hydrogen 3.294 N/A LEU 138.A N LYS 146.A O no hydrogen 2.863 N/A LEU 139.A N GLY 91.A O no hydrogen 2.707 N/A GLY 140.A N GLU 144.A O no hydrogen 2.836 N/A ALA 142.A N GLU 144.A OE1 no hydrogen 2.949 N/A GLY 143.A N GLY 140.A O no hydrogen 2.841 N/A GLU 144.A N GLU 144.A OE1 no hydrogen 2.678 N/A LEU 145.A N GLU 114.A OE2 no hydrogen 3.276 N/A LYS 146.A N LEU 138.A O no hydrogen 2.742 N/A LYS 146.A NZ PRO 66.A O no hydrogen 2.593 N/A LYS 146.A NZ GLU 86.A OE1 no hydrogen 3.333 N/A ILE 147.A N ASN 67.A O no hydrogen 2.857 N/A ALA 148.A N ASN 136.A O no hydrogen 2.893 N/A SER 153.A N PHE 150.A O no hydrogen 3.040 N/A SER 153.A OG PHE 150.A O no hydrogen 2.547 N/A VAL 154.A N ILE 128.A O no hydrogen 3.126 N/A ALA 156.A N ARG 126.A O no hydrogen 2.741 N/A SER 158.A N HIS 179.A O no hydrogen 2.940 N/A SER 158.A OG SER 159.A O no hydrogen 2.573 N/A ARG 160.A NE MET 173.A O no hydrogen 3.067 N/A ARG 160.A NH1 MET 173.A O no hydrogen 3.322 N/A ARG 160.A NH2 THR 161.A O no hydrogen 2.809 N/A THR 161.A OG1 HIS 51.A NE2 no hydrogen 2.991 N/A ASP 167.A N THR 165.A OG1 no hydrogen 3.402 N/A TYR 168.A OH GLU 194.A OE1 no hydrogen 3.194 N/A TYR 168.A OH GLU 194.A OE2 no hydrogen 2.273 N/A LEU 169.A N LEU 166.A O no hydrogen 3.018 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.887 N/A ILE 174.A N PRO 170.A O no hydrogen 3.206 N/A GLU 175.A N PRO 171.A O no hydrogen 2.921 N/A GLY 176.A N MET 173.A O no hydrogen 3.161 N/A ARG 177.A N GLU 172.A O no hydrogen 2.903 N/A ARG 177.A NH2 GLU 175.A OE2 no hydrogen 3.084 N/A HIS 179.A N SER 158.A O no hydrogen 2.888 N/A HIS 179.A ND1 ARG 177.A O no hydrogen 2.976 N/A GLU 181.A N GLU 181.A OE1 no hydrogen 2.733 N/A LYS 182.A N ASP 180.A OD2 no hydrogen 3.159 N/A LYS 182.A NZ PRO 241.A O no hydrogen 2.813 N/A LYS 182.A NZ ARG 244.A O no hydrogen 3.146 N/A VAL 183.A N ASP 180.A O no hydrogen 3.105 N/A ASP 184.A N GLU 181.A O no hydrogen 3.172 N/A LEU 185.A N LYS 182.A O no hydrogen 3.118 N/A TRP 186.A N LYS 182.A O no hydrogen 3.269 N/A SER 187.A N VAL 183.A O no hydrogen 3.282 N/A SER 187.A OG TYR 168.A O no hydrogen 2.655 N/A SER 187.A OG VAL 183.A O no hydrogen 3.489 N/A LEU 188.A N ASP 184.A O no hydrogen 2.993 N/A GLY 189.A N LEU 185.A O no hydrogen 3.182 N/A VAL 190.A N TRP 186.A O no hydrogen 2.973 N/A LEU 191.A N SER 187.A O no hydrogen 2.871 N/A CYS 192.A N LEU 188.A O no hydrogen 2.937 N/A TYR 193.A N GLY 189.A O no hydrogen 3.122 N/A TYR 193.A OH THR 220.A O no hydrogen 2.588 N/A GLU 194.A N VAL 190.A O no hydrogen 2.923 N/A PHE 195.A N LEU 191.A O no hydrogen 2.917 N/A LEU 196.A N CYS 192.A O no hydrogen 3.122 N/A VAL 197.A N TYR 193.A O no hydrogen 2.707 N/A GLY 198.A N GLU 194.A O no hydrogen 2.693 N/A GLU 203.A N PRO 200.A O no hydrogen 3.337 N/A THR 206.A N GLU 209.A OE1 no hydrogen 2.691 N/A THR 210.A N THR 206.A O no hydrogen 2.932 N/A THR 210.A OG1 THR 206.A O no hydrogen 2.929 N/A TYR 211.A N TYR 207.A O no hydrogen 2.920 N/A LYS 212.A N GLN 208.A O no hydrogen 3.074 N/A ARG 213.A N GLU 209.A O no hydrogen 2.959 N/A ARG 213.A NE GLU 218.A O no hydrogen 2.865 N/A ARG 213.A NH1 GLU 218.A O no hydrogen 3.114 N/A ARG 213.A NH2 GLU 203.A O no hydrogen 3.552 N/A ILE 214.A N THR 210.A O no hydrogen 2.906 N/A SER 215.A N TYR 211.A O no hydrogen 2.924 N/A ARG 216.A N LYS 212.A O no hydrogen 2.944 N/A VAL 217.A N ILE 214.A O no hydrogen 3.020 N/A GLU 218.A N ARG 213.A O no hydrogen 2.884 N/A VAL 225.A N PRO 222.A O no hydrogen 3.290 N/A THR 226.A OG1 GLU 105.A OE1 no hydrogen 2.446 N/A ARG 230.A N THR 226.A O no hydrogen 2.891 N/A ARG 230.A NE VAL 225.A O no hydrogen 2.875 N/A ARG 230.A NH2 VAL 225.A O no hydrogen 3.333 N/A ASP 231.A N GLU 227.A O no hydrogen 2.927 N/A LEU 232.A N GLY 228.A O no hydrogen 3.086 N/A ILE 233.A N ALA 229.A O no hydrogen 2.982 N/A SER 234.A N ARG 230.A O no hydrogen 2.891 N/A SER 234.A OG ARG 230.A O no hydrogen 2.994 N/A ARG 235.A N ASP 231.A O no hydrogen 3.104 N/A ARG 235.A NE ASP 231.A OD1 no hydrogen 3.417 N/A ARG 235.A NE ASP 231.A OD2 no hydrogen 2.801 N/A LEU 236.A N LEU 232.A O no hydrogen 3.102 N/A LEU 236.A N ILE 233.A O no hydrogen 3.166 N/A LEU 237.A N ILE 233.A O no hydrogen 2.932 N/A GLN 243.A N ASN 240.A O no hydrogen 2.993 N/A ARG 244.A N PRO 241.A O no hydrogen 2.953 N/A ARG 244.A NE LYS 238.A O no hydrogen 2.809 N/A ARG 244.A NH1 GLU 172.A OE1 no hydrogen 2.987 N/A ARG 244.A NH1 LYS 238.A O no hydrogen 2.931 N/A ARG 244.A NH2 GLU 172.A OE2 no hydrogen 2.828 N/A ARG 244.A NH2 LYS 182.A O no hydrogen 2.955 N/A MET 246.A N GLU 249.A OE1 no hydrogen 2.981 N/A VAL 250.A N MET 246.A O no hydrogen 3.348 N/A LEU 251.A N LEU 247.A O no hydrogen 2.949 N/A GLU 252.A N ARG 248.A O no hydrogen 3.177 N/A HIS 253.A N VAL 250.A O no hydrogen 3.164 N/A TRP 255.A NE1 GLU 105.A OE1 no hydrogen 2.821 N/A THR 257.A N HIS 253.A O no hydrogen 2.941 N/A THR 257.A OG1 HIS 253.A O no hydrogen 3.288 N/A ALA 258.A N PRO 254.A O no hydrogen 2.995 N/A ASN 259.A N TRP 255.A O no hydrogen 3.168 N/A ASN 259.A N ILE 256.A O no hydrogen 3.325 N/A ASN 259.A ND2 TRP 255.A O no hydrogen 2.811 N/A SER 260.A N ILE 256.A O no hydrogen 2.833 N/A SER 260.A OG THR 113.A OG1 no hydrogen 3.160 N/A SER 260.A OG SER 261.A O no hydrogen 3.113 N/A SER 261.A N THR 110.A OG1 no hydrogen 2.966 N/A SER 261.A OG THR 110.A OG1 no hydrogen 3.367 N/A