Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s40_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 PHE 4.A O no hydrogen 3.438 N/A THR 2.A OG1 GLU 119.A OE1 no hydrogen 3.546 N/A THR 2.A OG1 GLU 119.A OE2 no hydrogen 2.589 N/A LYS 3.A N GLU 119.A OE1 no hydrogen 3.079 N/A LYS 3.A NZ GLU 119.A O no hydrogen 3.160 N/A PHE 4.A N THR 2.A OG1 no hydrogen 2.766 N/A LYS 6.A N ASP 61.A OD2 no hydrogen 2.817 N/A VAL 7.A N ASP 37.A O no hydrogen 3.043 N/A LEU 8.A N LEU 62.A O no hydrogen 2.918 N/A LEU 9.A N HIS 39.A O no hydrogen 2.721 N/A ILE 10.A N ILE 64.A O no hydrogen 2.767 N/A VAL 11.A N LEU 41.A O no hydrogen 2.832 N/A ASN 12.A N PHE 66.A O no hydrogen 3.158 N/A ASN 12.A ND2 THR 71.A OG1 no hydrogen 3.285 N/A LYS 14.A N ASN 12.A OD1 no hydrogen 3.058 N/A ALA 15.A N ASN 12.A O no hydrogen 2.763 N/A GLY 16.A N GLY 93.A O no hydrogen 2.815 N/A HIS 21.A N ASP 19.A OD2 no hydrogen 3.244 N/A THR 22.A N ASP 19.A OD2 no hydrogen 3.313 N/A THR 22.A OG1 ASP 19.A OD1 no hydrogen 2.862 N/A ASN 23.A N ASP 19.A O no hydrogen 2.901 N/A ASN 23.A ND2 GLY 18.A O no hydrogen 3.352 N/A LEU 24.A N LEU 20.A O no hydrogen 2.879 N/A THR 25.A N HIS 21.A O no hydrogen 2.978 N/A THR 25.A OG1 HIS 21.A O no hydrogen 2.951 N/A LYS 26.A N THR 22.A O no hydrogen 3.250 N/A LYS 26.A N ASN 23.A O no hydrogen 3.041 N/A ILE 27.A N ASN 23.A O no hydrogen 3.044 N/A VAL 28.A N LEU 24.A O no hydrogen 3.022 N/A ALA 32.A N VAL 28.A O no hydrogen 2.718 N/A ALA 33.A N PRO 29.A O no hydrogen 2.831 N/A ALA 34.A N PRO 30.A O no hydrogen 3.002 N/A PHE 35.A N LEU 31.A O no hydrogen 2.876 N/A HIS 39.A N VAL 7.A O no hydrogen 2.819 N/A LEU 41.A N LEU 9.A O no hydrogen 2.953 N/A THR 43.A N VAL 11.A O no hydrogen 2.821 N/A THR 43.A OG1 VAL 11.A O no hydrogen 3.374 N/A LYS 44.A N ASP 48.A OD2 no hydrogen 2.626 N/A GLU 45.A N ASP 48.A OD2 no hydrogen 2.850 N/A GLY 47.A N GLU 74.A OE1 no hydrogen 3.234 N/A GLY 47.A N GLU 74.A OE2 no hydrogen 2.964 N/A ASP 48.A N GLU 45.A O no hydrogen 3.070 N/A THR 50.A N GLU 74.A OE1 no hydrogen 3.096 N/A THR 50.A OG1 GLU 74.A O no hydrogen 2.955 N/A THR 50.A OG1 GLU 74.A OE1 no hydrogen 3.367 N/A LYS 51.A N GLY 47.A O no hydrogen 2.944 N/A TYR 52.A N ASP 48.A O no hydrogen 2.766 N/A TYR 52.A OH HIS 42.A O no hydrogen 2.751 N/A CYS 53.A N ALA 49.A O no hydrogen 2.924 N/A CYS 53.A SG ALA 49.A O no hydrogen 3.427 N/A GLN 54.A N THR 50.A O no hydrogen 3.071 N/A GLN 54.A NE2 GLY 78.A O no hydrogen 3.312 N/A GLU 55.A N LYS 51.A O no hydrogen 2.964 N/A PHE 56.A N TYR 52.A O no hydrogen 2.875 N/A LYS 59.A N PHE 56.A O no hydrogen 2.783 N/A VAL 60.A N PHE 56.A O no hydrogen 3.032 N/A ASP 61.A N LYS 6.A O no hydrogen 2.786 N/A LEU 62.A N LYS 6.A O no hydrogen 3.319 N/A ILE 63.A N THR 87.A O no hydrogen 2.815 N/A ILE 64.A N LEU 8.A O no hydrogen 2.693 N/A VAL 65.A N ALA 89.A O no hydrogen 2.874 N/A PHE 66.A N ILE 10.A O no hydrogen 2.841 N/A GLY 67.A N ILE 91.A O no hydrogen 3.165 N/A VAL 72.A N GLY 68.A O no hydrogen 2.983 N/A PHE 73.A N ASP 69.A O no hydrogen 2.891 N/A GLU 74.A N GLY 70.A O no hydrogen 2.968 N/A CYS 75.A N THR 71.A O no hydrogen 3.155 N/A CYS 75.A SG THR 71.A O no hydrogen 3.585 N/A THR 76.A N VAL 72.A O no hydrogen 2.929 N/A THR 76.A OG1 VAL 72.A O no hydrogen 3.215 N/A ASN 77.A N PHE 73.A O no hydrogen 3.032 N/A ASN 77.A ND2 PHE 73.A O no hydrogen 3.340 N/A ASN 77.A ND2 HIS 133.A O no hydrogen 3.673 N/A GLY 78.A N GLU 74.A O no hydrogen 2.839 N/A LEU 79.A N CYS 75.A O no hydrogen 2.766 N/A ALA 80.A N THR 76.A O no hydrogen 2.795 N/A LEU 82.A N LEU 79.A O no hydrogen 2.901 N/A ARG 85.A NE HIS 261.A O no hydrogen 3.011 N/A ARG 85.A NH1 LEU 82.A O no hydrogen 2.766 N/A ARG 85.A NH2 HIS 261.A O no hydrogen 3.164 N/A THR 87.A OG1 THR 263.A OG1 no hydrogen 2.792 N/A LEU 88.A N THR 263.A O no hydrogen 2.946 N/A ALA 89.A N ILE 63.A O no hydrogen 2.918 N/A ILE 91.A N VAL 65.A O no hydrogen 2.812 N/A GLY 93.A N GLY 67.A O no hydrogen 3.060 N/A GLY 94.A N ASN 97.A OD1 no hydrogen 2.826 N/A ASN 97.A N ASP 69.A OD1 no hydrogen 2.892 N/A ASN 97.A ND2 GLY 94.A O no hydrogen 2.929 N/A ASN 97.A ND2 GLN 107.A OE1 no hydrogen 3.177 N/A ASP 98.A N ASP 69.A OD2 no hydrogen 2.965 N/A SER 100.A OG ASN 97.A O no hydrogen 2.938 N/A ARG 101.A N ASN 97.A O no hydrogen 2.940 N/A ARG 101.A NE CYS 96.A O no hydrogen 2.593 N/A ARG 101.A NH1 THR 95.A O no hydrogen 3.501 N/A ARG 101.A NH1 CYS 96.A O no hydrogen 3.352 N/A THR 102.A N ASP 98.A O no hydrogen 3.033 N/A THR 102.A OG1 ASP 98.A O no hydrogen 3.258 N/A LEU 103.A N PHE 99.A O no hydrogen 3.196 N/A LEU 103.A N SER 100.A O no hydrogen 3.160 N/A GLY 104.A N ARG 101.A O no hydrogen 2.864 N/A VAL 105.A N SER 100.A O no hydrogen 2.975 N/A GLN 107.A NE2 SER 100.A OG no hydrogen 2.898 N/A GLN 107.A NE2 VAL 105.A O no hydrogen 3.144 N/A GLU 111.A N ASN 108.A OD1 no hydrogen 2.875 N/A ALA 112.A N ASN 108.A O no hydrogen 2.921 N/A ALA 113.A N ILE 109.A O no hydrogen 2.972 N/A LYS 114.A N ALA 110.A O no hydrogen 3.195 N/A LEU 115.A N GLU 111.A O no hydrogen 2.929 N/A ILE 116.A N ALA 112.A O no hydrogen 3.313 N/A LYS 118.A N LEU 115.A O no hydrogen 2.787 N/A GLU 119.A N ILE 116.A O no hydrogen 2.926 N/A LYS 122.A NZ ASP 191.A OD2 no hydrogen 2.911 N/A VAL 124.A N PHE 262.A O no hydrogen 2.787 N/A ASP 125.A N CYS 190.A O no hydrogen 2.939 N/A VAL 126.A N LEU 258.A O no hydrogen 3.028 N/A ALA 127.A N PHE 134.A O no hydrogen 2.969 N/A LYS 128.A N GLU 256.A O no hydrogen 2.807 N/A ALA 129.A N GLN 132.A O no hydrogen 2.646 N/A ASN 130.A N GLN 254.A O no hydrogen 2.936 N/A ASN 130.A ND2 PRO 252.A O no hydrogen 3.198 N/A GLN 132.A N ALA 129.A O no hydrogen 2.805 N/A GLN 132.A NE2 ASN 77.A OD1 no hydrogen 2.877 N/A GLN 132.A NE2 HIS 133.A O no hydrogen 3.296 N/A PHE 134.A N ALA 127.A O no hydrogen 3.001 N/A LEU 135.A N ASP 246.A OD1 no hydrogen 2.748 N/A ASN 136.A N ASP 246.A OD1 no hydrogen 3.409 N/A ASN 136.A N ASP 246.A OD2 no hydrogen 3.105 N/A ASN 136.A ND2 TYR 177.A O no hydrogen 2.924 N/A PHE 137.A N ASP 246.A OD2 no hydrogen 3.108 N/A TRP 138.A N VAL 172.A O no hydrogen 2.896 N/A GLY 139.A N ASP 244.A O no hydrogen 2.820 N/A ILE 140.A N VAL 171.A O no hydrogen 3.012 N/A TYR 146.A N LYS 142.A O no hydrogen 3.169 N/A LEU 147.A N ILE 143.A O no hydrogen 3.103 N/A SER 148.A N TYR 145.A O no hydrogen 3.055 N/A SER 148.A OG TYR 145.A O no hydrogen 2.502 N/A ILE 150.A N LEU 147.A O no hydrogen 2.999 N/A THR 152.A OG1 GLU 167.A OE2 no hydrogen 2.733 N/A PHE 153.A N ALA 168.A O no hydrogen 2.867 N/A VAL 155.A N ASP 166.A O no hydrogen 2.946 N/A LYS 156.A N GLU 236.A O no hydrogen 2.743 N/A LYS 156.A NZ GLU 165.A OE2 no hydrogen 2.551 N/A ILE 157.A N TYR 164.A O no hydrogen 2.639 N/A THR 158.A N HIS 234.A O no hydrogen 2.780 N/A THR 158.A OG1 HIS 234.A O no hydrogen 3.529 N/A TYR 159.A N GLN 162.A O no hydrogen 2.889 N/A ASP 160.A N SER 232.A O no hydrogen 2.884 N/A GLN 162.A N TYR 159.A O no hydrogen 3.300 N/A TYR 164.A N ILE 157.A O no hydrogen 2.624 N/A ASP 166.A N VAL 155.A O no hydrogen 3.111 N/A ALA 168.A N PHE 153.A O no hydrogen 2.872 N/A VAL 169.A N VAL 200.A O no hydrogen 2.825 N/A LEU 170.A N VAL 200.A O no hydrogen 3.418 N/A VAL 171.A N ILE 140.A O no hydrogen 3.028 N/A GLY 173.A N ASP 196.A O no hydrogen 2.821 N/A ASN 174.A N ASN 136.A O no hydrogen 2.957 N/A ASN 174.A ND2 ASP 125.A O no hydrogen 3.047 N/A ASN 174.A ND2 LEU 135.A O no hydrogen 2.964 N/A GLY 175.A N ASN 136.A O no hydrogen 3.092 N/A GLU 176.A N THR 102.A OG1 no hydrogen 2.956 N/A LEU 178.A N ILE 181.A O no hydrogen 2.726 N/A GLY 179.A N ASP 98.A OD2 no hydrogen 2.910 N/A GLY 180.A N ASP 98.A OD1 no hydrogen 2.762 N/A ILE 181.A N LEU 178.A O no hydrogen 3.439 N/A SER 183.A N GLU 176.A O no hydrogen 2.918 N/A ILE 185.A N SER 183.A OG no hydrogen 3.012 N/A ASN 187.A N LEU 216.A O no hydrogen 3.353 N/A VAL 188.A N ILE 185.A O no hydrogen 3.506 N/A CYS 190.A N GLU 176.A OE1 no hydrogen 2.811 N/A CYS 190.A SG GLU 176.A OE1 no hydrogen 3.565 N/A GLY 193.A N ASP 125.A OD2 no hydrogen 2.795 N/A THR 194.A N ASP 192.A OD2 no hydrogen 3.138 N/A THR 194.A OG1 ASP 192.A OD2 no hydrogen 3.293 N/A LEU 195.A N ALA 230.A O no hydrogen 2.957 N/A ASP 196.A N GLY 173.A O no hydrogen 3.156 N/A ILE 197.A N VAL 228.A O no hydrogen 2.823 N/A VAL 199.A N PHE 226.A O no hydrogen 2.759 N/A VAL 200.A N LEU 170.A O no hydrogen 2.893 N/A LYS 201.A N ASP 224.A O no hydrogen 3.025 N/A LYS 201.A NZ GLU 222.A O no hydrogen 3.483 N/A LYS 201.A NZ ASN 223.A O no hydrogen 2.688 N/A SER 202.A N GLU 167.A O no hydrogen 3.153 N/A THR 203.A OG1 ASP 224.A OD2 no hydrogen 3.492 N/A GLY 204.A N LYS 201.A O no hydrogen 2.912 N/A PHE 208.A N GLY 204.A O no hydrogen 2.870 N/A LYS 209.A N ILE 205.A O no hydrogen 2.953 N/A ASP 210.A N GLN 206.A O no hydrogen 3.288 N/A ASP 210.A N ALA 207.A O no hydrogen 2.985 N/A TYR 211.A N ALA 207.A O no hydrogen 3.269 N/A LYS 214.A N TYR 211.A O no hydrogen 3.270 N/A LYS 214.A NZ ASP 210.A O no hydrogen 2.850 N/A SER 220.A N TYR 211.A OH no hydrogen 2.724 N/A ASN 221.A N TYR 211.A OH no hydrogen 3.421 N/A ASN 221.A ND2 ASP 224.A OD1 no hydrogen 3.333 N/A ASP 224.A N ASN 221.A O no hydrogen 2.839 N/A ILE 225.A N ASN 221.A O no hydrogen 2.851 N/A PHE 226.A N VAL 199.A O no hydrogen 2.986 N/A HIS 227.A ND1 ASP 219.A OD1 no hydrogen 2.996 N/A HIS 227.A ND1 ASP 219.A OD2 no hydrogen 3.132 N/A HIS 227.A NE2 ASP 196.A OD1 no hydrogen 2.696 N/A VAL 228.A N ILE 197.A O no hydrogen 3.099 N/A LYS 229.A NZ ASN 187.A O no hydrogen 3.107 N/A LYS 229.A NZ ASP 192.A OD1 no hydrogen 2.693 N/A LYS 229.A NZ ASP 196.A OD1 no hydrogen 3.260 N/A LYS 229.A NZ ASP 196.A OD2 no hydrogen 2.807 N/A ALA 230.A N LEU 195.A O no hydrogen 2.892 N/A LYS 231.A N ASP 160.A OD2 no hydrogen 2.946 N/A LYS 231.A NZ GLN 259.A OE1 no hydrogen 3.409 N/A SER 232.A N ASP 160.A OD1 no hydrogen 2.695 N/A ILE 233.A N ILE 255.A O no hydrogen 2.956 N/A HIS 234.A N THR 158.A O no hydrogen 2.674 N/A ILE 235.A N CYS 253.A O no hydrogen 2.892 N/A GLU 236.A N LYS 156.A O no hydrogen 2.797 N/A THR 237.A OG1 GLU 239.A O no hydrogen 2.822 N/A THR 237.A OG1 THR 251.A OG1 no hydrogen 2.639 N/A LYS 241.A N THR 251.A OG1 no hydrogen 2.817 N/A VAL 243.A N LEU 249.A O no hydrogen 3.085 N/A ASP 244.A N GLY 139.A O no hydrogen 2.780 N/A SER 247.A OG THR 245.A OG1 no hydrogen 3.376 N/A HIS 250.A ND1 THR 251.A O no hydrogen 3.090 N/A THR 251.A N LYS 241.A O no hydrogen 3.032 N/A THR 251.A OG1 THR 237.A OG1 no hydrogen 2.639 N/A CYS 253.A N ILE 235.A O no hydrogen 3.043 N/A CYS 253.A SG GLN 254.A O no hydrogen 4.048 N/A GLN 254.A N ASN 130.A OD1 no hydrogen 2.929 N/A GLN 254.A NE2 GLU 256.A OE1 no hydrogen 2.917 N/A ILE 255.A N ILE 233.A O no hydrogen 2.659 N/A GLU 256.A N LYS 128.A O no hydrogen 2.894 N/A LEU 258.A N VAL 126.A O no hydrogen 2.768 N/A GLY 260.A N ASP 125.A OD1 no hydrogen 2.841 N/A HIS 261.A NE2 ALA 80.A O no hydrogen 2.743 N/A PHE 262.A N VAL 124.A O no hydrogen 3.167 N/A THR 263.A OG1 THR 87.A OG1 no hydrogen 2.792 N/A TYR 265.A N HIS 120.A O no hydrogen 2.837 N/A ASN 266.A N LEU 103.A O no hydrogen 2.935 N/A ASN 266.A ND2 GLY 104.A O no hydrogen 3.047 N/A ALA 268.A N ASN 266.A OD1 no hydrogen 3.075 N/A VAL 269.A N ASN 266.A O no hydrogen 3.156 N/A VAL 270.A N ASN 266.A O no hydrogen 2.706 N/A