Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e1i_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 7.A NE2 TYR 5.A O no hydrogen 2.872 N/A GLU 8.A N LEU 6.A O no hydrogen 2.611 N/A TYR 10.A N GLN 7.A O no hydrogen 3.218 N/A ASN 11.A N GLN 7.A O no hydrogen 3.369 N/A SER 12.A N GLU 8.A O no hydrogen 2.784 N/A ASN 13.A N ILE 9.A O no hydrogen 3.180 N/A ASN 13.A N TYR 10.A O no hydrogen 3.198 N/A ASN 14.A N TYR 10.A O no hydrogen 3.126 N/A GLN 15.A N ASN 11.A O no hydrogen 3.226 N/A LYS 16.A N SER 12.A O no hydrogen 3.048 N/A ILE 17.A N ASN 13.A O no hydrogen 2.802 N/A VAL 18.A N ASN 14.A O no hydrogen 3.064 N/A ASN 19.A N GLN 15.A O no hydrogen 3.182 N/A ASN 19.A ND2 GLU 22.A OE2 no hydrogen 3.334 N/A LEU 20.A N LYS 16.A O no hydrogen 2.976 N/A LYS 21.A N ILE 17.A O no hydrogen 2.796 N/A LYS 23.A N ASN 19.A O no hydrogen 3.262 N/A VAL 24.A N LEU 20.A O no hydrogen 2.838 N/A ALA 25.A N LYS 21.A O no hydrogen 3.068 N/A GLN 26.A N GLU 22.A O no hydrogen 3.202 N/A LEU 27.A N LYS 23.A O no hydrogen 3.037 N/A GLU 28.A N VAL 24.A O no hydrogen 3.051 N/A ALA 29.A N ALA 25.A O no hydrogen 3.420 N/A GLN 30.A N LEU 27.A O no hydrogen 3.025 N/A CYS 31.A N GLU 28.A O no hydrogen 3.066 N/A CYS 31.A SG LEU 27.A O no hydrogen 3.544 N/A VAL 39.A N ASP 37.A OD1 no hydrogen 3.072 N/A HIS 42.A N LEU 62.A O no hydrogen 2.972 N/A HIS 42.A ND1 LEU 62.A O no hydrogen 3.130 N/A THR 45.A OG1 PHE 64.A O no hydrogen 2.712 N/A LYS 47.A N ASP 51.A OD1 no hydrogen 3.028 N/A CYS 49.A N THR 88.A OG1 no hydrogen 3.267 N/A CYS 49.A SG TYR 77.A O no hydrogen 3.963 N/A CYS 49.A SG TRP 87.A O no hydrogen 3.565 N/A CYS 49.A SG THR 88.A OG1 no hydrogen 3.358 N/A GLN 50.A NE2 ASN 54.A OD1 no hydrogen 2.967 N/A GLN 50.A NE2 GLY 84.A O no hydrogen 2.852 N/A ASP 51.A N ASP 48.A OD1 no hydrogen 2.884 N/A ILE 52.A N ASP 48.A O no hydrogen 3.156 N/A ALA 53.A N CYS 49.A O no hydrogen 3.002 N/A ASN 54.A N GLN 50.A O no hydrogen 2.861 N/A LYS 55.A N ASP 51.A O no hydrogen 3.121 N/A LYS 55.A N ILE 52.A O no hydrogen 3.270 N/A LYS 55.A NZ THR 45.A O no hydrogen 2.748 N/A GLY 56.A N ALA 53.A O no hydrogen 2.867 N/A ALA 57.A N ILE 52.A O no hydrogen 3.342 N/A SER 60.A OG ILE 80.A O no hydrogen 3.389 N/A GLY 61.A N CYS 78.A O no hydrogen 2.961 N/A TYR 63.A N VAL 76.A O no hydrogen 3.094 N/A TYR 63.A OH GLN 59.A O no hydrogen 2.588 N/A ILE 65.A N PHE 74.A O no hydrogen 2.981 N/A LYS 66.A N GLY 46.A O no hydrogen 2.800 N/A LYS 66.A NZ ALA 70.A O no hydrogen 2.671 N/A ALA 70.A N PRO 67.A O no hydrogen 2.922 N/A GLN 73.A N GLN 72.A OE1 no hydrogen 3.165 N/A PHE 74.A N ILE 65.A O no hydrogen 2.988 N/A VAL 76.A N TYR 63.A O no hydrogen 2.873 N/A CYS 78.A N GLY 61.A O no hydrogen 2.792 N/A GLU 79.A N TRP 87.A O no hydrogen 2.825 N/A ILE 80.A N SER 60.A OG no hydrogen 2.967 N/A ASP 81.A N ASN 85.A O no hydrogen 3.174 N/A SER 83.A N ASP 81.A OD1 no hydrogen 2.883 N/A GLY 84.A N ASP 81.A O no hydrogen 3.385 N/A ASN 85.A N ASP 81.A OD1 no hydrogen 3.026 N/A GLY 86.A N GLN 50.A OE1 no hydrogen 2.610 N/A TRP 87.A N GLU 79.A O no hydrogen 2.754 N/A THR 88.A N ILE 282.A O no hydrogen 2.861 N/A VAL 89.A N TYR 77.A O no hydrogen 3.197 N/A PHE 90.A N MET 280.A O no hydrogen 2.934 N/A GLN 91.A N MET 280.A O no hydrogen 3.254 N/A GLN 91.A NE2 LEU 240.A O no hydrogen 3.017 N/A GLN 91.A NE2 ASN 241.A OD1 no hydrogen 2.923 N/A LYS 92.A N PHE 122.A O no hydrogen 3.164 N/A LYS 92.A NZ THR 279.A OG1 no hydrogen 2.664 N/A ARG 93.A N THR 278.A O no hydrogen 2.943 N/A ARG 93.A NH1 LEU 240.A O no hydrogen 3.041 N/A ARG 93.A NH1 GLY 242.A O no hydrogen 2.773 N/A ARG 93.A NH2 GLY 242.A O no hydrogen 2.966 N/A LEU 94.A N GLU 121.A OE2 no hydrogen 2.708 N/A ASP 95.A N GLU 121.A OE2 no hydrogen 2.897 N/A GLY 96.A N GLU 121.A OE2 no hydrogen 2.946 N/A SER 97.A N ASP 95.A OD1 no hydrogen 3.037 N/A SER 97.A OG ASP 95.A OD1 no hydrogen 2.727 N/A VAL 98.A N GLU 121.A OE1 no hydrogen 3.031 N/A LYS 101.A N ASP 99.A OD1 no hydrogen 3.094 N/A LYS 102.A NZ ASP 99.A O no hydrogen 2.585 N/A ASN 103.A N GLN 106.A OE1 no hydrogen 3.001 N/A TRP 104.A N ASP 212.A OD1 no hydrogen 2.962 N/A TRP 104.A NE1 GLU 166.A OE2 no hydrogen 2.844 N/A GLN 106.A N ASN 103.A OD1 no hydrogen 2.856 N/A TYR 107.A N ASN 103.A O no hydrogen 2.963 N/A TYR 107.A OH PHE 100.A O no hydrogen 2.580 N/A LYS 108.A N TRP 104.A O no hydrogen 2.746 N/A LYS 108.A NZ GLU 166.A OE1 no hydrogen 2.670 N/A GLU 109.A N ILE 105.A O no hydrogen 2.798 N/A GLY 110.A N GLN 106.A O no hydrogen 2.818 N/A PHE 111.A N TRP 123.A O no hydrogen 2.886 N/A HIS 113.A N GLU 121.A O no hydrogen 3.124 N/A SER 115.A OG THR 120.A OG1 no hydrogen 2.760 N/A THR 117.A OG1 THR 119.A OG1 no hydrogen 2.704 N/A GLY 118.A N SER 115.A O no hydrogen 3.221 N/A THR 119.A N SER 115.A OG no hydrogen 2.983 N/A THR 119.A OG1 THR 117.A OG1 no hydrogen 2.704 N/A THR 120.A OG1 HIS 113.A O no hydrogen 2.726 N/A THR 120.A OG1 SER 115.A OG no hydrogen 2.760 N/A PHE 122.A N LYS 92.A O no hydrogen 3.265 N/A TRP 123.A N PHE 111.A O no hydrogen 2.875 N/A TRP 123.A NE1 TYR 107.A O no hydrogen 3.096 N/A LEU 124.A N PHE 90.A O no hydrogen 2.866 N/A ASN 126.A N TYR 107.A O no hydrogen 2.789 N/A GLU 127.A N LYS 108.A O no hydrogen 3.168 N/A LYS 128.A NZ GLU 109.A O no hydrogen 3.179 N/A LYS 128.A NZ LEU 124.A O no hydrogen 3.164 N/A ILE 129.A N GLY 125.A O no hydrogen 3.075 N/A HIS 130.A N ASN 126.A O no hydrogen 2.901 N/A HIS 130.A ND1 VAL 163.A O no hydrogen 2.704 N/A LEU 131.A N GLU 127.A O no hydrogen 2.976 N/A ILE 132.A N LYS 128.A O no hydrogen 2.961 N/A SER 133.A N ILE 129.A O no hydrogen 3.005 N/A SER 133.A OG ILE 129.A O no hydrogen 2.926 N/A SER 133.A OG HIS 130.A O no hydrogen 3.541 N/A THR 134.A OG1 HIS 130.A O no hydrogen 2.655 N/A TYR 140.A OH ASP 48.A OD2 no hydrogen 2.486 N/A ALA 141.A N ILE 283.A O no hydrogen 2.730 N/A LEU 142.A N TYR 158.A O no hydrogen 2.984 N/A ARG 143.A N LYS 281.A O no hydrogen 2.850 N/A ARG 143.A NE ASP 157.A OD1 no hydrogen 2.821 N/A ARG 143.A NH2 ASP 157.A OD2 no hydrogen 2.827 N/A VAL 144.A N ALA 156.A O no hydrogen 2.843 N/A GLU 145.A N THR 279.A O no hydrogen 2.863 N/A LEU 146.A N SER 154.A O no hydrogen 2.839 N/A GLU 147.A N LYS 277.A O no hydrogen 2.889 N/A ASP 148.A N ARG 152.A O no hydrogen 2.969 N/A TRP 149.A N TYR 273.A OH no hydrogen 2.812 N/A TRP 149.A NE1 SER 274.A O no hydrogen 2.774 N/A ASN 150.A N ASP 148.A OD1 no hydrogen 2.902 N/A ARG 152.A N ASP 148.A OD1 no hydrogen 2.923 N/A SER 154.A N LEU 146.A O no hydrogen 2.978 N/A THR 155.A N ASP 181.A OD1 no hydrogen 3.092 N/A ALA 156.A N VAL 144.A O no hydrogen 2.896 N/A ASP 157.A N GLY 179.A O no hydrogen 2.939 N/A TYR 158.A N LEU 142.A O no hydrogen 2.881 N/A TYR 158.A OH ASP 184.A OD1 no hydrogen 2.588 N/A ALA 159.A N TYR 176.A O no hydrogen 2.796 N/A PHE 161.A N TYR 140.A O no hydrogen 2.936 N/A LYS 162.A N THR 173.A O no hydrogen 2.784 N/A VAL 163.A N SER 133.A OG no hydrogen 3.001 N/A GLY 164.A N ARG 171.A O no hydrogen 2.851 N/A ASP 168.A N PRO 165.A O no hydrogen 2.911 N/A LYS 169.A N GLU 166.A O no hydrogen 2.912 N/A TYR 170.A N PRO 165.A O no hydrogen 3.052 N/A TYR 170.A OH GLU 127.A OE1 no hydrogen 2.705 N/A ARG 171.A N ASP 168.A O no hydrogen 3.167 N/A ARG 171.A NE ASP 168.A OD2 no hydrogen 2.755 N/A ARG 171.A NH1 GLY 205.A O no hydrogen 2.725 N/A ARG 171.A NH2 ASP 168.A OD1 no hydrogen 2.901 N/A LEU 172.A N MET 206.A O no hydrogen 2.991 N/A THR 173.A N LYS 162.A O no hydrogen 2.880 N/A THR 173.A OG1 LYS 162.A O no hydrogen 3.314 N/A TYR 174.A N ASN 204.A OD1 no hydrogen 3.106 N/A ALA 175.A N ALA 159.A O no hydrogen 2.778 N/A ALA 178.A N ASP 157.A O no hydrogen 2.745 N/A ALA 182.A N THR 155.A O no hydrogen 3.009 N/A GLY 183.A N GLY 180.A O no hydrogen 3.161 N/A PHE 186.A N TYR 158.A OH no hydrogen 3.390 N/A ASP 187.A N ASP 184.A O no hydrogen 3.194 N/A GLY 188.A N ALA 185.A O no hydrogen 2.827 N/A PHE 189.A N THR 201.A OG1 no hydrogen 2.999 N/A GLY 192.A N ASP 197.A OD2 no hydrogen 2.923 N/A SER 196.A N ASP 194.A OD2 no hydrogen 3.033 N/A SER 196.A OG ASP 194.A OD2 no hydrogen 2.740 N/A PHE 200.A N SER 196.A O no hydrogen 3.033 N/A THR 201.A N LYS 198.A O no hydrogen 3.296 N/A THR 201.A OG1 PHE 189.A O no hydrogen 3.450 N/A THR 201.A OG1 ASP 197.A O no hydrogen 2.711 N/A THR 201.A OG1 LYS 198.A O no hydrogen 3.487 N/A SER 202.A OG PHE 199.A O no hydrogen 3.001 N/A HIS 203.A N PHE 186.A O no hydrogen 2.800 N/A ASN 204.A ND2 TYR 174.A O no hydrogen 3.028 N/A GLY 205.A N LEU 172.A O no hydrogen 2.771 N/A MET 206.A N HIS 203.A O no hydrogen 3.096 N/A GLN 207.A NE2 ASP 168.A O no hydrogen 3.229 N/A GLN 207.A NE2 ASP 168.A OD1 no hydrogen 3.010 N/A PHE 208.A N LYS 169.A O no hydrogen 2.771 N/A SER 209.A N TRP 230.A O no hydrogen 2.793 N/A THR 210.A N ASN 213.A O no hydrogen 3.067 N/A THR 210.A OG1 ASP 212.A OD1 no hydrogen 2.788 N/A ASN 213.A N THR 210.A O no hydrogen 3.112 N/A ASN 213.A ND2 ASN 215.A OD1 no hydrogen 2.695 N/A ASN 215.A N SER 209.A OG no hydrogen 2.798 N/A ASP 216.A N ASP 214.A OD1 no hydrogen 3.079 N/A LYS 217.A N ASN 233.A O no hydrogen 2.938 N/A PHE 218.A N ASP 216.A OD1 no hydrogen 2.787 N/A CYS 222.A N ASP 216.A OD2 no hydrogen 3.075 N/A CYS 222.A SG ASP 216.A OD2 no hydrogen 3.324 N/A CYS 222.A SG ASN 233.A O no hydrogen 3.779 N/A GLN 225.A N ASN 221.A O no hydrogen 2.847 N/A ASP 226.A N CYS 222.A O no hydrogen 2.799 N/A SER 228.A N ALA 223.A O no hydrogen 2.991 N/A SER 228.A OG HIS 239.A NE2 no hydrogen 2.701 N/A GLY 229.A N TYR 107.A OH no hydrogen 3.162 N/A TRP 230.A N SER 209.A O no hydrogen 3.014 N/A TRP 231.A NE1 TYR 170.A O no hydrogen 2.812 N/A ASN 233.A N CYS 235.A O no hydrogen 2.707 N/A LYS 234.A N PHE 200.A O no hydrogen 2.760 N/A HIS 236.A NE2 ASP 226.A OD2 no hydrogen 2.714 N/A HIS 239.A N ILE 264.A O no hydrogen 2.851 N/A HIS 239.A ND1 GLY 262.A O no hydrogen 2.970 N/A HIS 239.A NE2 SER 228.A OG no hydrogen 2.701 N/A ASN 241.A ND2 GLY 229.A O no hydrogen 3.080 N/A VAL 243.A N ASN 261.A O no hydrogen 2.798 N/A TYR 244.A OH LYS 276.A O no hydrogen 2.470 N/A GLY 248.A N TYR 245.A O no hydrogen 3.351 N/A TYR 250.A N TRP 272.A O no hydrogen 3.194 N/A TYR 250.A OH ARG 271.A O no hydrogen 2.661 N/A SER 251.A N SER 254.A OG no hydrogen 2.956 N/A SER 254.A N SER 251.A O no hydrogen 2.890 N/A THR 255.A N LYS 252.A O no hydrogen 3.045 N/A THR 255.A OG1 LYS 252.A O no hydrogen 3.162 N/A THR 255.A OG1 TYR 259.A O no hydrogen 3.453 N/A ASN 257.A ND2 GLN 225.A O no hydrogen 2.774 N/A ASN 261.A ND2 TYR 245.A OH no hydrogen 2.545 N/A GLY 262.A N TYR 250.A OH no hydrogen 2.981 N/A ILE 263.A N SER 274.A OG no hydrogen 2.916 N/A ILE 264.A N HIS 239.A O no hydrogen 3.231 N/A TRP 265.A NE1 GLY 183.A O no hydrogen 2.923 N/A ALA 266.A N ALA 237.A O no hydrogen 2.750 N/A THR 267.A OG1 ALA 182.A O no hydrogen 2.782 N/A TRP 268.A N TRP 265.A O no hydrogen 2.976 N/A LYS 269.A N TRP 265.A O no hydrogen 3.186 N/A LYS 269.A NZ ASP 148.A OD2 no hydrogen 3.056 N/A TYR 273.A N THR 270.A O no hydrogen 2.905 N/A SER 274.A N GLY 248.A O no hydrogen 2.651 N/A SER 274.A OG VAL 243.A O no hydrogen 3.486 N/A MET 275.A N ILE 263.A O no hydrogen 2.940 N/A LYS 276.A N GLU 147.A O no hydrogen 2.868 N/A LYS 277.A N GLU 147.A O no hydrogen 3.296 N/A THR 278.A N ARG 93.A O no hydrogen 3.070 N/A THR 278.A OG1 GLN 91.A OE1 no hydrogen 2.812 N/A THR 279.A N GLU 145.A O no hydrogen 2.905 N/A MET 280.A N GLN 91.A O no hydrogen 3.015 N/A LYS 281.A N ARG 143.A O no hydrogen 3.015 N/A LYS 281.A NZ GLU 79.A OE1 no hydrogen 2.637 N/A LYS 281.A NZ GLU 79.A OE2 no hydrogen 3.551 N/A LYS 281.A NZ GLU 145.A OE2 no hydrogen 2.979 N/A ILE 282.A N THR 88.A O no hydrogen 2.838 N/A ILE 283.A N ALA 141.A O no hydrogen 3.109 N/A PHE 285.A N PRO 139.A O no hydrogen 2.833 N/A ARG 287.A N PRO 284.A O no hydrogen 3.086 N/A LEU 288.A N PHE 285.A O no hydrogen 2.983 N/A