Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1spq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ASP 222.A OD1 no hydrogen 3.013 N/A ARG 1.A NH1 GLN 197.A O no hydrogen 3.039 N/A PHE 4.A N ASP 222.A O no hydrogen 3.076 N/A VAL 5.A N GLU 35.A O no hydrogen 3.001 N/A GLY 6.A N PHE 224.A O no hydrogen 2.931 N/A GLY 7.A N VAL 37.A O no hydrogen 2.939 N/A ASN 8.A N VAL 226.A O no hydrogen 2.837 N/A TRP 9.A N GLY 39.A O no hydrogen 3.153 N/A LYS 10.A N ASN 8.A OD1 no hydrogen 3.141 N/A LYS 10.A NZ GLU 94.A OE2 no hydrogen 2.838 N/A ASN 12.A ND2 TRP 9.A O no hydrogen 3.070 N/A ASP 14.A N SER 17.A OG no hydrogen 3.110 N/A LYS 16.A NZ GLU 20.A OE2 no hydrogen 2.796 N/A SER 17.A N ASP 14.A OD1 no hydrogen 3.114 N/A SER 17.A OG ASP 14.A O no hydrogen 3.481 N/A SER 17.A OG ASP 14.A OD1 no hydrogen 3.086 N/A LEU 18.A N ASP 14.A O no hydrogen 3.008 N/A GLY 19.A N LYS 15.A O no hydrogen 3.043 N/A GLU 20.A N LYS 16.A O no hydrogen 3.132 N/A LEU 21.A N SER 17.A O no hydrogen 3.192 N/A ILE 22.A N LEU 18.A O no hydrogen 3.092 N/A HIS 23.A N GLY 19.A O no hydrogen 3.175 N/A THR 24.A N GLU 20.A O no hydrogen 3.130 N/A THR 24.A OG1 GLU 20.A O no hydrogen 3.322 N/A LEU 25.A N LEU 21.A O no hydrogen 3.178 N/A ASN 26.A N ILE 22.A O no hydrogen 2.945 N/A ASN 26.A ND2 LYS 51.A O no hydrogen 2.955 N/A GLY 27.A N HIS 23.A O no hydrogen 3.187 N/A ALA 28.A N LEU 25.A O no hydrogen 3.406 N/A SER 31.A N ASN 240.A OD1 no hydrogen 2.958 N/A SER 31.A OG HIS 243.A NE2 no hydrogen 3.218 N/A THR 34.A N SER 31.A O no hydrogen 3.321 N/A THR 34.A OG1 ILE 239.A O no hydrogen 3.070 N/A GLU 35.A N PHE 3.A O no hydrogen 2.886 N/A VAL 37.A N VAL 5.A O no hydrogen 3.113 N/A CYS 38.A N GLY 57.A O no hydrogen 2.933 N/A GLY 39.A N GLY 7.A O no hydrogen 2.831 N/A ALA 40.A N ALA 59.A O no hydrogen 3.237 N/A TYR 44.A N PRO 41.A O no hydrogen 2.964 N/A LEU 45.A N SER 42.A O no hydrogen 3.279 N/A ALA 48.A N TYR 44.A O no hydrogen 3.029 N/A ARG 49.A N LEU 45.A O no hydrogen 3.158 N/A ARG 49.A NE ARG 49.A O no hydrogen 2.986 N/A ARG 49.A NH1 ILE 56.A O no hydrogen 2.929 N/A ARG 49.A NH2 LEU 52.A O no hydrogen 3.110 N/A ARG 49.A NH2 ASP 53.A O no hydrogen 3.077 N/A ARG 49.A NH2 ILE 56.A O no hydrogen 3.085 N/A GLN 50.A N ASP 46.A O no hydrogen 3.072 N/A GLN 50.A NE2 ASP 46.A OD1 no hydrogen 2.861 N/A LYS 51.A N PHE 47.A O no hydrogen 3.148 N/A LEU 52.A N ALA 48.A O no hydrogen 2.968 N/A ASP 53.A N ASN 26.A OD1 no hydrogen 2.995 N/A LYS 55.A N ASP 53.A OD1 no hydrogen 3.012 N/A ILE 56.A N ASP 53.A O no hydrogen 2.981 N/A GLY 57.A N VAL 36.A O no hydrogen 2.905 N/A ALA 59.A N CYS 38.A O no hydrogen 2.894 N/A ALA 60.A N TRP 87.A O no hydrogen 3.142 N/A GLN 61.A NE2 LYS 10.A O no hydrogen 3.132 N/A GLN 61.A NE2 GLY 39.A O no hydrogen 3.019 N/A CYS 63.A SG TYR 64.A O no hydrogen 3.538 N/A TYR 64.A N ILE 75.A O no hydrogen 2.976 N/A LYS 65.A NZ GLN 108.A OE1 no hydrogen 2.876 N/A PHE 71.A N GLY 69.A O no hydrogen 3.043 N/A GLU 74.A N PHE 71.A O no hydrogen 3.055 N/A SER 76.A OG PRO 67.A O no hydrogen 2.905 N/A ILE 80.A N SER 76.A O no hydrogen 3.208 N/A LYS 81.A N PRO 77.A O no hydrogen 3.009 N/A LYS 81.A NZ GLU 116.A O no hydrogen 2.546 N/A ASP 82.A N ALA 78.A O no hydrogen 3.093 N/A ILE 83.A N MET 79.A O no hydrogen 3.296 N/A GLY 84.A N LYS 81.A O no hydrogen 3.014 N/A ALA 85.A N ILE 80.A O no hydrogen 3.144 N/A TRP 87.A N VAL 58.A O no hydrogen 3.367 N/A VAL 88.A N GLY 119.A O no hydrogen 3.152 N/A ILE 89.A N ALA 60.A O no hydrogen 3.017 N/A LEU 90.A N ILE 121.A O no hydrogen 3.054 N/A SER 93.A N GLU 162.A OE2 no hydrogen 3.094 N/A SER 93.A OG GLU 162.A OE1 no hydrogen 2.940 N/A GLU 94.A N HIS 92.A ND1 no hydrogen 3.088 N/A ARG 95.A NE GLU 101.A OE2 no hydrogen 2.947 N/A ARG 95.A NH2 GLU 101.A OE2 no hydrogen 3.421 N/A ARG 96.A N HIS 92.A O no hydrogen 3.130 N/A ARG 96.A NE GLY 91.A O no hydrogen 2.955 N/A ARG 96.A NH1 ASP 103.A OD1 no hydrogen 3.114 N/A ARG 96.A NH2 CYS 123.A O no hydrogen 2.969 N/A HIS 97.A N SER 93.A O no hydrogen 2.927 N/A VAL 98.A N GLU 94.A O no hydrogen 3.131 N/A PHE 99.A N GLU 94.A O no hydrogen 3.387 N/A GLU 101.A N ARG 95.A O no hydrogen 3.197 N/A LEU 105.A N SER 102.A OG no hydrogen 3.248 N/A ILE 106.A N SER 102.A O no hydrogen 3.073 N/A GLY 107.A N ASP 103.A O no hydrogen 2.983 N/A GLN 108.A N GLU 104.A O no hydrogen 3.132 N/A LYS 109.A N LEU 105.A O no hydrogen 3.031 N/A LYS 109.A NZ ASN 62.A OD1 no hydrogen 3.098 N/A LYS 109.A NZ CYS 63.A O no hydrogen 3.096 N/A LYS 109.A NZ GLU 101.A OE1 no hydrogen 2.873 N/A LYS 109.A NZ GLU 101.A OE2 no hydrogen 3.287 N/A VAL 110.A N ILE 106.A O no hydrogen 2.993 N/A ALA 111.A N GLY 107.A O no hydrogen 3.180 N/A HIS 112.A N GLN 108.A O no hydrogen 3.229 N/A ALA 113.A N LYS 109.A O no hydrogen 2.978 N/A LEU 114.A N VAL 110.A O no hydrogen 3.170 N/A ALA 115.A N ALA 111.A O no hydrogen 3.222 N/A GLU 116.A N HIS 112.A O no hydrogen 3.041 N/A GLY 117.A N LEU 114.A O no hydrogen 3.190 N/A LEU 118.A N ALA 113.A O no hydrogen 3.062 N/A GLY 119.A N ALA 86.A O no hydrogen 2.944 N/A VAL 120.A N LYS 156.A O no hydrogen 3.086 N/A ILE 121.A N VAL 88.A O no hydrogen 3.027 N/A ALA 122.A N VAL 158.A O no hydrogen 2.905 N/A CYS 123.A N LEU 90.A O no hydrogen 3.014 N/A CYS 123.A SG LEU 90.A O no hydrogen 3.887 N/A ILE 124.A N ALA 160.A O no hydrogen 2.974 N/A GLY 125.A N GLN 143.A OE1 no hydrogen 2.754 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 2.846 N/A LYS 127.A N GLU 130.A OE1 no hydrogen 2.918 N/A ARG 131.A N LYS 127.A O no hydrogen 3.047 N/A GLU 132.A N LEU 128.A O no hydrogen 3.021 N/A ALA 133.A N ASP 129.A O no hydrogen 3.194 N/A GLY 134.A N ARG 131.A O no hydrogen 3.284 N/A ILE 135.A N GLU 130.A O no hydrogen 3.287 N/A THR 136.A OG1 GLU 126.A OE2 no hydrogen 2.813 N/A VAL 139.A N ILE 135.A O no hydrogen 3.159 N/A VAL 140.A N THR 136.A O no hydrogen 3.178 N/A PHE 141.A N GLU 137.A O no hydrogen 3.050 N/A GLU 142.A N LYS 138.A O no hydrogen 3.260 N/A GLN 143.A N VAL 139.A O no hydrogen 3.091 N/A GLN 143.A NE2 GLY 125.A O no hydrogen 3.554 N/A THR 144.A N VAL 140.A O no hydrogen 2.933 N/A THR 144.A OG1 VAL 140.A O no hydrogen 2.717 N/A LYS 145.A N PHE 141.A O no hydrogen 2.908 N/A LYS 145.A NZ ASP 149.A OD2 no hydrogen 3.141 N/A ALA 146.A N GLU 142.A O no hydrogen 3.261 N/A ILE 147.A N GLN 143.A O no hydrogen 3.358 N/A ALA 148.A N THR 144.A O no hydrogen 2.940 N/A ASP 149.A N LYS 145.A O no hydrogen 3.026 N/A ASN 150.A N ILE 147.A O no hydrogen 2.982 N/A ASN 150.A ND2 ALA 146.A O no hydrogen 2.997 N/A VAL 151.A N ALA 148.A O no hydrogen 3.110 N/A SER 155.A N ASP 153.A OD1 no hydrogen 3.246 N/A SER 155.A OG ASP 153.A OD1 no hydrogen 2.975 N/A SER 155.A OG ASP 153.A OD2 no hydrogen 3.027 N/A VAL 157.A N TRP 154.A O no hydrogen 3.242 N/A VAL 158.A N VAL 120.A O no hydrogen 2.959 N/A LEU 159.A N ARG 200.A O no hydrogen 3.205 N/A ALA 160.A N ALA 122.A O no hydrogen 2.879 N/A TYR 161.A N ILE 202.A O no hydrogen 3.011 N/A TYR 161.A OH GLU 126.A OE1 no hydrogen 2.646 N/A TYR 161.A OH GLU 126.A OE2 no hydrogen 3.146 N/A GLU 162.A N ILE 124.A O no hydrogen 2.833 N/A VAL 164.A N GLU 162.A O no hydrogen 3.124 N/A TRP 165.A N GLU 126.A O no hydrogen 3.382 N/A ILE 167.A N VAL 164.A O no hydrogen 3.073 N/A THR 172.A N GLN 175.A OE1 no hydrogen 3.215 N/A GLN 174.A NE2 GLU 178.A OE2 no hydrogen 2.937 N/A GLN 175.A N THR 172.A OG1 no hydrogen 3.220 N/A ALA 176.A N THR 172.A O no hydrogen 3.146 N/A GLN 177.A N PRO 173.A O no hydrogen 3.116 N/A GLN 177.A NE2 ASP 220.A OD2 no hydrogen 2.928 N/A GLU 178.A N GLN 174.A O no hydrogen 3.092 N/A VAL 179.A N GLN 175.A O no hydrogen 3.470 N/A HIS 180.A N ALA 176.A O no hydrogen 3.073 N/A GLU 181.A N GLN 177.A O no hydrogen 2.993 N/A LYS 182.A N GLU 178.A O no hydrogen 3.403 N/A LYS 182.A NZ GLU 137.A OE2 no hydrogen 2.463 N/A LEU 183.A N VAL 179.A O no hydrogen 3.070 N/A ARG 184.A N HIS 180.A O no hydrogen 3.118 N/A ARG 184.A NE ASP 220.A OD1 no hydrogen 2.886 N/A ARG 184.A NH1 ALA 196.A O no hydrogen 3.002 N/A ARG 184.A NH1 THR 199.A O no hydrogen 2.845 N/A ARG 184.A NH2 ASP 220.A O no hydrogen 3.178 N/A ARG 184.A NH2 ASP 222.A OD2 no hydrogen 2.889 N/A GLY 185.A N GLU 181.A O no hydrogen 3.189 N/A TRP 186.A N LYS 182.A O no hydrogen 2.985 N/A LEU 187.A N LEU 183.A O no hydrogen 3.172 N/A LYS 188.A N ARG 184.A O no hydrogen 3.082 N/A LYS 188.A NZ ASP 193.A OD1 no hydrogen 3.224 N/A HIS 190.A N TRP 186.A O no hydrogen 3.051 N/A VAL 191.A N LEU 187.A O no hydrogen 2.938 N/A SER 192.A N LEU 187.A O no hydrogen 3.267 N/A VAL 195.A N SER 192.A OG no hydrogen 3.127 N/A ALA 196.A N SER 192.A O no hydrogen 3.171 N/A GLN 197.A N ASP 193.A O no hydrogen 3.190 N/A SER 198.A N ALA 194.A O no hydrogen 3.162 N/A SER 198.A N VAL 195.A O no hydrogen 3.315 N/A SER 198.A OG ALA 194.A O no hydrogen 2.883 N/A THR 199.A N VAL 195.A O no hydrogen 2.986 N/A THR 199.A OG1 VAL 195.A O no hydrogen 2.741 N/A ARG 200.A NH1 LYS 2.A O no hydrogen 2.948 N/A ARG 200.A NH1 GLU 35.A OE1 no hydrogen 2.993 N/A ARG 200.A NH2 GLU 35.A OE1 no hydrogen 3.049 N/A ILE 201.A N ASP 222.A OD2 no hydrogen 2.963 N/A ILE 202.A N LEU 159.A O no hydrogen 2.863 N/A TYR 203.A N GLY 223.A O no hydrogen 2.965 N/A GLY 204.A N TYR 161.A O no hydrogen 2.786 N/A THR 208.A N ASN 211.A OD1 no hydrogen 3.025 N/A GLY 209.A N GLU 234.A OE2 no hydrogen 3.341 N/A GLY 210.A N THR 208.A OG1 no hydrogen 3.270 N/A ASN 211.A N THR 208.A OG1 no hydrogen 3.393 N/A ASN 211.A ND2 SER 206.A O no hydrogen 2.899 N/A CYS 212.A SG GLY 209.A O no hydrogen 3.787 N/A LYS 213.A NZ ALA 241.A O no hydrogen 3.434 N/A LYS 213.A NZ HIS 243.A O no hydrogen 2.785 N/A LEU 215.A N ASN 211.A O no hydrogen 3.460 N/A ALA 216.A N CYS 212.A O no hydrogen 3.011 N/A SER 217.A N GLU 214.A O no hydrogen 3.359 N/A SER 217.A OG GLU 214.A O no hydrogen 2.762 N/A GLN 218.A N LEU 215.A O no hydrogen 3.399 N/A GLN 218.A NE2 GLU 214.A O no hydrogen 3.347 N/A ASP 220.A N GLN 177.A OE1 no hydrogen 3.007 N/A ASP 222.A N ILE 201.A O no hydrogen 3.011 N/A PHE 224.A N PHE 4.A O no hydrogen 2.976 N/A LEU 225.A N TYR 203.A O no hydrogen 3.080 N/A VAL 226.A N GLY 6.A O no hydrogen 2.909 N/A SER 230.A N GLY 227.A O no hydrogen 3.020 N/A SER 230.A OG ASN 8.A O no hydrogen 3.253 N/A SER 230.A OG GLY 227.A O no hydrogen 2.701 N/A LEU 231.A N GLY 228.A O no hydrogen 3.325 N/A LYS 232.A N ALA 229.A O no hydrogen 3.289 N/A PHE 235.A N LYS 232.A O no hydrogen 3.278 N/A VAL 236.A N PRO 233.A O no hydrogen 3.328 N/A ILE 238.A N GLU 234.A O no hydrogen 3.264 N/A ILE 239.A N PHE 235.A O no hydrogen 3.177 N/A ASN 240.A N VAL 236.A O no hydrogen 3.300 N/A ASN 240.A ND2 LYS 29.A O no hydrogen 3.000 N/A ALA 241.A N ILE 238.A O no hydrogen 3.212 N/A HIS 243.A N ASN 240.A O no hydrogen 3.119 N/A