Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qqq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N GLN 2.A OE1 no hydrogen 2.774 N/A GLN 2.A NE2 ARG 34.A O no hydrogen 2.955 N/A TYR 3.A OH VAL 166.A O no hydrogen 2.601 N/A GLU 5.A N LYS 1.A O no hydrogen 2.935 N/A LEU 6.A N GLN 2.A O no hydrogen 3.112 N/A MET 7.A N TYR 3.A O no hydrogen 3.040 N/A GLN 8.A N LEU 4.A O no hydrogen 3.041 N/A GLN 8.A NE2 GLN 8.A O no hydrogen 3.574 N/A GLN 8.A NE2 ASP 12.A OD1 no hydrogen 3.197 N/A GLN 8.A NE2 ASP 12.A OD2 no hydrogen 3.268 N/A LYS 9.A N GLU 5.A O no hydrogen 2.959 N/A LYS 9.A NZ HIS 31.A ND1 no hydrogen 2.908 N/A VAL 10.A N LEU 6.A O no hydrogen 2.991 N/A LEU 11.A N MET 7.A O no hydrogen 3.084 N/A ASP 12.A N GLN 8.A O no hydrogen 2.839 N/A GLU 13.A N LYS 9.A O no hydrogen 2.681 N/A GLY 14.A N VAL 10.A O no hydrogen 2.751 N/A THR 15.A N SER 27.A O no hydrogen 2.892 N/A LYS 17.A N THR 25.A O no hydrogen 2.920 N/A ASP 19.A N THR 23.A O no hydrogen 3.294 N/A THR 21.A N ASP 19.A O no hydrogen 2.281 N/A THR 21.A OG1 ARG 20.A O no hydrogen 2.735 N/A THR 21.A OG1 THR 21.A O no hydrogen 2.400 N/A THR 25.A N LYS 17.A O no hydrogen 3.344 N/A LEU 26.A N LEU 203.A O no hydrogen 2.941 N/A SER 27.A N THR 15.A O no hydrogen 2.926 N/A ILE 28.A N THR 201.A O no hydrogen 2.932 N/A GLY 30.A N GLY 199.A O no hydrogen 3.031 N/A HIS 31.A N GLY 198.A O no hydrogen 3.243 N/A GLN 32.A NE2 THR 197.A OG1 no hydrogen 2.936 N/A MET 33.A N TRP 196.A O no hydrogen 2.952 N/A ARG 34.A NH1 ASP 193.A OD2 no hydrogen 3.151 N/A PHE 35.A N PHE 194.A O no hydrogen 2.858 N/A LEU 37.A N GLY 192.A O no hydrogen 2.939 N/A GLN 38.A N ASN 36.A OD1 no hydrogen 3.002 N/A ASP 39.A N ASN 36.A O no hydrogen 2.898 N/A GLY 40.A N LEU 37.A O no hydrogen 3.383 N/A PHE 41.A N PRO 223.A O no hydrogen 2.852 N/A LEU 43.A N PHE 41.A O no hydrogen 2.876 N/A THR 46.A OG1 GLN 214.A OE1 no hydrogen 2.791 N/A LYS 47.A NZ PHE 167.A O no hydrogen 3.020 N/A ARG 51.A NH1 ASN 73.A O no hydrogen 2.677 N/A ARG 51.A NH2 ASN 73.A O no hydrogen 2.541 N/A ILE 54.A N LEU 50.A O no hydrogen 2.895 N/A HIS 55.A N ARG 51.A O no hydrogen 3.229 N/A HIS 55.A ND1 TYR 69.A OH no hydrogen 2.742 N/A GLU 56.A N SER 52.A O no hydrogen 2.914 N/A LEU 57.A N ILE 53.A O no hydrogen 3.030 N/A LEU 58.A N ILE 54.A O no hydrogen 3.007 N/A TRP 59.A N HIS 55.A O no hydrogen 2.976 N/A TRP 59.A NE1 ASN 66.A O no hydrogen 2.876 N/A PHE 60.A N GLU 56.A O no hydrogen 2.835 N/A LEU 61.A N LEU 57.A O no hydrogen 2.943 N/A GLN 62.A N LEU 58.A O no hydrogen 3.139 N/A GLN 62.A N TRP 59.A O no hydrogen 3.235 N/A GLY 63.A N PHE 60.A O no hydrogen 2.951 N/A THR 65.A OG1 GLY 89.A O no hydrogen 2.972 N/A ASN 66.A N ASP 64.A OD1 no hydrogen 3.068 N/A ASN 66.A ND2 ASN 85.A O no hydrogen 3.103 N/A ASN 66.A ND2 ASP 87.A OD1 no hydrogen 3.106 N/A ILE 67.A N GLY 86.A O no hydrogen 3.007 N/A ALA 68.A N ASN 66.A OD1 no hydrogen 2.818 N/A TYR 69.A OH HIS 55.A ND1 no hydrogen 2.742 N/A HIS 71.A N ILE 67.A O no hydrogen 2.781 N/A GLU 72.A N ALA 68.A O no hydrogen 2.873 N/A ASN 73.A N LEU 70.A O no hydrogen 3.212 N/A ASN 73.A ND2 TYR 69.A O no hydrogen 2.996 N/A ASN 74.A N HIS 71.A O no hydrogen 2.895 N/A VAL 75.A N LEU 70.A O no hydrogen 2.715 N/A TRP 78.A NE1 GLU 56.A OE2 no hydrogen 2.801 N/A ASP 79.A N THR 76.A O no hydrogen 3.088 N/A TRP 81.A N TRP 78.A O no hydrogen 3.053 N/A ALA 82.A N TRP 78.A O no hydrogen 3.206 N/A ALA 82.A N ASP 79.A O no hydrogen 3.264 N/A ASP 83.A N ASP 87.A O no hydrogen 3.098 N/A GLY 86.A N ASP 83.A O no hydrogen 2.840 N/A ASP 87.A N ASP 83.A OD1 no hydrogen 2.906 N/A VAL 91.A N GLY 89.A O no hydrogen 2.868 N/A LYS 94.A N VAL 91.A O no hydrogen 2.902 N/A GLN 95.A NE2 PRO 90.A O no hydrogen 2.962 N/A GLN 95.A NE2 GLU 135.A OE1 no hydrogen 2.820 N/A TRP 96.A N TYR 92.A O no hydrogen 2.853 N/A ARG 97.A N GLY 93.A O no hydrogen 2.982 N/A ARG 97.A NE ASP 108.A OD1 no hydrogen 2.944 N/A ARG 97.A NH1 LEU 61.A O no hydrogen 2.991 N/A ARG 97.A NH2 ASP 108.A OD2 no hydrogen 2.899 N/A ALA 98.A N LYS 94.A O no hydrogen 2.689 N/A TRP 99.A N ILE 107.A O no hydrogen 2.983 N/A THR 101.A N ARG 105.A O no hydrogen 2.845 N/A THR 101.A OG1 ASP 103.A OD2 no hydrogen 2.309 N/A THR 101.A OG1 ARG 105.A O no hydrogen 3.329 N/A GLY 104.A N THR 101.A O no hydrogen 3.351 N/A ARG 105.A N THR 101.A OG1 no hydrogen 2.962 N/A ARG 105.A NH1 ASP 103.A OD1 no hydrogen 3.075 N/A ARG 105.A NH1 ASP 103.A OD2 no hydrogen 3.250 N/A ILE 107.A N TRP 99.A O no hydrogen 2.777 N/A GLN 109.A N TRP 96.A O no hydrogen 2.915 N/A GLN 109.A NE2 GLN 95.A O no hydrogen 2.844 N/A GLN 109.A NE2 SER 129.A O no hydrogen 2.830 N/A ILE 110.A N TRP 96.A O no hydrogen 3.301 N/A THR 111.A N ASP 108.A OD1 no hydrogen 3.065 N/A THR 111.A OG1 ASP 108.A OD2 no hydrogen 2.663 N/A THR 112.A N ASP 108.A O no hydrogen 3.044 N/A THR 112.A OG1 ASP 108.A O no hydrogen 2.790 N/A VAL 113.A N GLN 109.A O no hydrogen 2.926 N/A LEU 114.A N ILE 110.A O no hydrogen 3.041 N/A ASN 115.A N THR 111.A O no hydrogen 2.843 N/A GLN 116.A N THR 112.A O no hydrogen 2.932 N/A GLN 116.A NE2 ARG 125.A O no hydrogen 3.216 N/A LEU 117.A N VAL 113.A O no hydrogen 2.902 N/A LYS 118.A N LEU 114.A O no hydrogen 3.123 N/A ASN 119.A N ASN 115.A O no hydrogen 2.981 N/A ASP 120.A N GLN 116.A O no hydrogen 2.671 N/A SER 123.A N ASP 120.A O no hydrogen 2.968 N/A ARG 125.A N SER 123.A OG no hydrogen 3.115 N/A VAL 128.A N PHE 147.A O no hydrogen 2.930 N/A SER 129.A N GLN 109.A OE1 no hydrogen 2.864 N/A ALA 130.A N ALA 145.A O no hydrogen 2.866 N/A TRP 131.A N SER 129.A OG no hydrogen 3.142 N/A ASN 132.A N ALA 130.A O no hydrogen 2.900 N/A ASN 132.A ND2 GLN 95.A OE1 no hydrogen 2.909 N/A GLU 135.A N ASN 132.A O no hydrogen 2.940 N/A LYS 138.A N GLU 135.A O no hydrogen 3.041 N/A MET 139.A N LEU 136.A O no hydrogen 3.069 N/A ALA 140.A N LEU 88.A O no hydrogen 2.891 N/A HIS 144.A ND1 TYR 177.A OH no hydrogen 2.704 N/A ALA 145.A N TYR 161.A O no hydrogen 3.124 N/A PHE 147.A N VAL 128.A O no hydrogen 2.940 N/A GLN 148.A N GLN 159.A O no hydrogen 2.869 N/A PHE 149.A N ILE 126.A O no hydrogen 2.856 N/A TYR 150.A N SER 157.A O no hydrogen 2.967 N/A ALA 152.A N LYS 155.A O no hydrogen 3.100 N/A LYS 155.A N ALA 152.A O no hydrogen 2.842 N/A LEU 156.A N GLU 190.A O no hydrogen 2.812 N/A SER 157.A N TYR 150.A O no hydrogen 2.790 N/A CYS 158.A N ASP 193.A O no hydrogen 2.996 N/A CYS 158.A SG GLN 148.A O no hydrogen 3.740 N/A GLN 159.A N GLN 148.A O no hydrogen 2.823 N/A LEU 160.A N VAL 195.A O no hydrogen 2.936 N/A TYR 161.A N PHE 146.A O no hydrogen 2.831 N/A GLN 162.A N THR 197.A O no hydrogen 2.789 N/A GLN 162.A NE2 SER 164.A O no hydrogen 3.186 N/A ARG 163.A NE PRO 143.A O no hydrogen 2.655 N/A ARG 163.A NH1 ALA 142.A O no hydrogen 3.062 N/A VAL 166.A N HIS 202.A O no hydrogen 2.857 N/A LEU 168.A N ASP 165.A OD1 no hydrogen 2.989 N/A GLY 169.A N ASP 165.A O no hydrogen 2.945 N/A LEU 170.A N ASP 165.A O no hydrogen 3.126 N/A ASN 173.A N GLY 169.A O no hydrogen 3.055 N/A ASN 173.A ND2 GLN 162.A OE1 no hydrogen 3.075 N/A ILE 174.A N LEU 170.A O no hydrogen 2.954 N/A ALA 175.A N PRO 171.A O no hydrogen 3.368 N/A SER 176.A N PHE 172.A O no hydrogen 2.987 N/A TYR 177.A N ASN 173.A O no hydrogen 3.219 N/A TYR 177.A OH HIS 144.A ND1 no hydrogen 2.704 N/A ALA 178.A N ILE 174.A O no hydrogen 3.017 N/A LEU 179.A N ALA 175.A O no hydrogen 2.949 N/A LEU 180.A N SER 176.A O no hydrogen 3.076 N/A VAL 181.A N TYR 177.A O no hydrogen 2.983 N/A HIS 182.A N ALA 178.A O no hydrogen 3.110 N/A MET 183.A N LEU 179.A O no hydrogen 3.036 N/A MET 184.A N LEU 180.A O no hydrogen 2.882 N/A ALA 185.A N VAL 181.A O no hydrogen 2.818 N/A GLN 186.A N HIS 182.A O no hydrogen 2.945 N/A GLN 187.A N MET 183.A O no hydrogen 3.045 N/A GLN 187.A NE2 PRO 231.A O no hydrogen 2.991 N/A GLN 187.A NE2 TYR 237.A OH no hydrogen 2.880 N/A LEU 189.A N ALA 185.A O no hydrogen 2.825 N/A GLU 190.A N GLY 154.A O no hydrogen 2.936 N/A GLY 192.A N LEU 156.A O no hydrogen 2.705 N/A ASP 193.A N SER 157.A OG no hydrogen 2.972 N/A PHE 194.A N PHE 35.A O no hydrogen 2.871 N/A VAL 195.A N CYS 158.A O no hydrogen 2.761 N/A TRP 196.A N MET 33.A O no hydrogen 2.838 N/A TRP 196.A NE1 ASN 173.A OD1 no hydrogen 2.804 N/A THR 197.A N LEU 160.A O no hydrogen 2.909 N/A THR 197.A OG1 GLN 159.A OE1 no hydrogen 2.678 N/A GLY 198.A N HIS 31.A O no hydrogen 2.911 N/A GLY 199.A N GLN 162.A O no hydrogen 2.775 N/A ASP 200.A N ARG 163.A O no hydrogen 2.957 N/A THR 201.A N ILE 28.A O no hydrogen 2.992 N/A THR 201.A OG1 GLY 199.A O no hydrogen 3.157 N/A HIS 202.A ND1 ASP 200.A OD1 no hydrogen 3.093 N/A LEU 203.A N LEU 26.A O no hydrogen 2.957 N/A SER 205.A N GLY 24.A O no hydrogen 2.942 N/A SER 205.A OG GLY 24.A O no hydrogen 3.554 N/A ASN 206.A ND2 PRO 256.A O no hydrogen 2.945 N/A HIS 207.A N TYR 204.A O no hydrogen 2.931 N/A GLN 210.A N GLN 210.A OE1 no hydrogen 2.597 N/A THR 211.A N HIS 207.A O no hydrogen 2.934 N/A THR 211.A OG1 HIS 207.A O no hydrogen 2.957 N/A HIS 212.A N MET 208.A O no hydrogen 3.036 N/A LEU 213.A N ASP 209.A O no hydrogen 3.045 N/A GLN 214.A N GLN 210.A O no hydrogen 2.959 N/A LEU 215.A N THR 211.A O no hydrogen 2.861 N/A SER 216.A N HIS 212.A O no hydrogen 3.169 N/A SER 216.A N LEU 213.A O no hydrogen 3.185 N/A SER 216.A OG LEU 213.A O no hydrogen 2.662 N/A ARG 217.A N GLN 214.A O no hydrogen 3.092 N/A ARG 217.A NH2 THR 46.A O no hydrogen 3.057 N/A ARG 217.A NH2 PRO 251.A O no hydrogen 2.679 N/A ARG 220.A N THR 45.A OG1 no hydrogen 2.930 N/A LYS 224.A N GLU 245.A O no hydrogen 2.894 N/A ILE 226.A N GLU 243.A O no hydrogen 2.713 N/A LYS 228.A N ASP 241.A O no hydrogen 2.860 N/A ARG 229.A NE ASP 241.A OD1 no hydrogen 2.914 N/A ARG 229.A NH2 ASP 236.A O no hydrogen 2.832 N/A ARG 229.A NH2 ASP 241.A OD2 no hydrogen 2.807 N/A SER 233.A OG ASP 236.A OD2 no hydrogen 2.748 N/A PHE 235.A N SER 233.A OG no hydrogen 3.276 N/A ASP 236.A N SER 233.A O no hydrogen 3.155 N/A ARG 238.A N ASP 241.A OD2 no hydrogen 2.663 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.701 N/A ASP 241.A N ARG 238.A O no hydrogen 2.949 N/A PHE 242.A N PHE 239.A O no hydrogen 3.363 N/A GLU 243.A N ILE 226.A O no hydrogen 2.919 N/A ILE 244.A N GLU 243.A OE1 no hydrogen 3.390 N/A GLU 245.A N LYS 224.A O no hydrogen 2.965 N/A TYR 247.A OH VAL 44.A O no hydrogen 2.703 N/A SER 249.A OG HIS 250.A O no hydrogen 3.476 N/A HIS 250.A N THR 45.A O no hydrogen 2.802 N/A HIS 250.A NE2 GLU 218.A O no hydrogen 2.842 N/A