Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3n5u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N LEU 1.A O no hydrogen 2.964 N/A SER 5.A N ASN 2.A OD1 no hydrogen 3.130 N/A ILE 6.A N ASN 2.A O no hydrogen 3.193 N/A ILE 7.A N LEU 3.A O no hydrogen 2.987 N/A GLY 8.A N ASP 4.A O no hydrogen 2.863 N/A ARG 9.A N SER 5.A O no hydrogen 2.950 N/A ARG 9.A NE SER 5.A O no hydrogen 3.487 N/A ARG 9.A NE SER 5.A OG no hydrogen 3.337 N/A ARG 9.A NH1 GLU 28.A OE1 no hydrogen 3.132 N/A ARG 9.A NH1 GLU 28.A OE2 no hydrogen 3.271 N/A ARG 9.A NH2 SER 5.A OG no hydrogen 2.902 N/A ARG 9.A NH2 GLU 28.A OE2 no hydrogen 2.697 N/A LEU 10.A N ILE 6.A O no hydrogen 3.030 N/A LEU 11.A N ILE 7.A O no hydrogen 2.900 N/A GLN 14.A N LEU 11.A O no hydrogen 2.975 N/A SER 16.A OG VAL 13.A O no hydrogen 3.040 N/A LYS 20.A N TYR 64.A OH no hydrogen 3.360 N/A VAL 22.A N GLU 96.A OE2 no hydrogen 2.789 N/A GLN 23.A NE2 ARG 137.A O no hydrogen 3.113 N/A THR 25.A N GLU 28.A OE1 no hydrogen 2.849 N/A GLU 28.A N THR 25.A OG1 no hydrogen 3.214 N/A ILE 29.A N THR 25.A O no hydrogen 3.079 N/A ARG 30.A N GLU 26.A O no hydrogen 3.050 N/A GLY 31.A N ASN 27.A O no hydrogen 3.230 N/A LEU 32.A N GLU 28.A O no hydrogen 3.079 N/A CYS 33.A N ILE 29.A O no hydrogen 2.923 N/A CYS 33.A SG ILE 29.A O no hydrogen 3.493 N/A LEU 34.A N ARG 30.A O no hydrogen 2.788 N/A LYS 35.A N GLY 31.A O no hydrogen 2.918 N/A SER 36.A N LEU 32.A O no hydrogen 3.251 N/A SER 36.A OG LEU 32.A O no hydrogen 2.755 N/A SER 36.A OG CYS 33.A O no hydrogen 3.120 N/A ARG 37.A N CYS 33.A O no hydrogen 2.856 N/A ARG 37.A NE ASP 148.A O no hydrogen 2.879 N/A GLU 38.A N LEU 34.A O no hydrogen 3.031 N/A PHE 40.A N SER 36.A O no hydrogen 2.832 N/A LEU 41.A N ARG 37.A O no hydrogen 3.289 N/A LEU 41.A N GLU 38.A O no hydrogen 3.144 N/A SER 42.A N GLU 38.A O no hydrogen 3.130 N/A SER 42.A OG ILE 39.A O no hydrogen 3.143 N/A GLN 43.A N ILE 39.A O no hydrogen 3.075 N/A GLN 43.A NE2 PRO 109.A O no hydrogen 2.878 N/A LEU 47.A N ALA 156.A O no hydrogen 2.966 N/A ALA 51.A N ASP 160.A OD2 no hydrogen 3.203 N/A LEU 53.A N VAL 279.A O no hydrogen 3.095 N/A LYS 54.A N ASN 80.A O no hydrogen 2.807 N/A LYS 54.A NZ SER 278.A OG no hydrogen 3.097 N/A LYS 54.A NZ GLN 288.A OE1 no hydrogen 3.491 N/A ILE 55.A N MET 277.A O no hydrogen 3.104 N/A CYS 56.A N LEU 82.A O no hydrogen 2.958 N/A GLY 57.A N SER 262.A OG no hydrogen 2.593 N/A ILE 59.A N ASP 86.A O no hydrogen 3.017 N/A HIS 60.A N ASP 86.A O no hydrogen 3.019 N/A HIS 60.A ND1 ASP 89.A O no hydrogen 3.273 N/A HIS 60.A NE2 ASP 86.A OD2 no hydrogen 2.790 N/A GLY 61.A N TYR 87.A O no hydrogen 2.931 N/A GLN 62.A N ILE 59.A O no hydrogen 3.147 N/A GLN 62.A NE2 ASP 65.A OD2 no hydrogen 2.992 N/A GLN 62.A NE2 PRO 264.A O no hydrogen 2.816 N/A TYR 63.A OH LEU 10.A O no hydrogen 3.015 N/A TYR 64.A OH VAL 13.A O no hydrogen 3.322 N/A LEU 66.A N GLN 62.A O no hydrogen 3.166 N/A LEU 67.A N TYR 63.A O no hydrogen 2.986 N/A ARG 68.A N TYR 64.A O no hydrogen 3.148 N/A ARG 68.A NE ASP 65.A OD1 no hydrogen 3.255 N/A ARG 68.A NH2 ASP 65.A OD1 no hydrogen 3.412 N/A ARG 68.A NH2 LYS 291.A O no hydrogen 3.101 N/A LEU 69.A N ASP 65.A O no hydrogen 3.022 N/A PHE 70.A N LEU 66.A O no hydrogen 3.182 N/A GLU 71.A N LEU 67.A O no hydrogen 2.680 N/A GLY 73.A N LEU 69.A O no hydrogen 3.236 N/A GLY 74.A N PHE 70.A O no hydrogen 2.556 N/A GLU 78.A N PHE 75.A O no hydrogen 3.082 N/A SER 79.A OG GLY 73.A O no hydrogen 2.604 N/A TYR 81.A N ASN 111.A O no hydrogen 3.320 N/A TYR 81.A OH GLY 74.A O no hydrogen 2.707 N/A LEU 82.A N LYS 54.A O no hydrogen 2.964 N/A PHE 83.A N PHE 113.A O no hydrogen 2.997 N/A LEU 84.A N CYS 56.A O no hydrogen 2.850 N/A ASP 86.A N GLU 120.A OE1 no hydrogen 2.578 N/A TYR 87.A N GLU 120.A OE2 no hydrogen 2.837 N/A TYR 87.A OH PHE 83.A O no hydrogen 3.273 N/A TYR 87.A OH LEU 115.A O no hydrogen 2.643 N/A ASP 89.A N SER 94.A OG no hydrogen 3.205 N/A ARG 90.A N TYR 128.A O no hydrogen 2.822 N/A ARG 90.A NE TYR 266.A OH no hydrogen 2.627 N/A GLY 91.A N ASP 89.A O no hydrogen 2.696 N/A GLN 93.A N GLY 61.A O no hydrogen 2.942 N/A GLN 93.A NE2 ASN 21.A OD1 no hydrogen 3.462 N/A SER 94.A N GLU 133.A OE1 no hydrogen 3.091 N/A SER 94.A OG GLU 133.A OE1 no hydrogen 3.109 N/A LEU 95.A N GLU 133.A OE2 no hydrogen 2.843 N/A GLU 96.A N GLU 96.A OE1 no hydrogen 2.702 N/A THR 97.A N GLN 93.A O no hydrogen 3.350 N/A THR 97.A OG1 GLN 93.A O no hydrogen 2.842 N/A ILE 98.A N SER 94.A O no hydrogen 2.880 N/A CYS 99.A N LEU 95.A O no hydrogen 3.087 N/A CYS 99.A SG LEU 95.A O no hydrogen 3.267 N/A LEU 100.A N GLU 96.A O no hydrogen 2.931 N/A LEU 101.A N THR 97.A O no hydrogen 3.153 N/A LEU 102.A N ILE 98.A O no hydrogen 2.913 N/A ALA 103.A N CYS 99.A O no hydrogen 2.863 N/A TYR 104.A N LEU 100.A O no hydrogen 3.158 N/A LYS 105.A N LEU 101.A O no hydrogen 3.054 N/A LYS 105.A NZ GLN 43.A OE1 no hydrogen 2.939 N/A LYS 105.A NZ PRO 109.A O no hydrogen 2.967 N/A LYS 105.A NZ PHE 112.A O no hydrogen 2.879 N/A ILE 106.A N ALA 103.A O no hydrogen 2.949 N/A LYS 107.A N ALA 103.A O no hydrogen 2.882 N/A LYS 107.A NZ ASP 4.A OD2 no hydrogen 3.295 N/A TYR 108.A N TYR 104.A O no hydrogen 2.976 N/A ASN 111.A N TYR 108.A O no hydrogen 3.170 N/A PHE 113.A N TYR 81.A O no hydrogen 2.855 N/A LEU 115.A N PHE 83.A O no hydrogen 2.964 N/A ARG 116.A NE GLU 120.A O no hydrogen 2.991 N/A ARG 116.A NH1 THR 187.A O no hydrogen 2.938 N/A ARG 116.A NH2 GLU 120.A O no hydrogen 3.512 N/A ARG 116.A NH2 THR 187.A O no hydrogen 3.124 N/A GLY 117.A N GLU 120.A OE1 no hydrogen 2.798 N/A HIS 119.A N ASP 86.A OD1 no hydrogen 2.952 N/A HIS 119.A ND1 ASP 89.A OD2 no hydrogen 2.701 N/A GLU 120.A N GLY 117.A O no hydrogen 2.995 N/A CYS 121.A SG SER 123.A OG no hydrogen 3.491 N/A CYS 121.A SG ASP 188.A OD1 no hydrogen 3.776 N/A ILE 124.A N CYS 121.A O no hydrogen 3.214 N/A ASN 125.A N CYS 121.A O no hydrogen 2.812 N/A ASN 125.A ND2 HIS 119.A O no hydrogen 2.442 N/A ARG 126.A N ALA 122.A O no hydrogen 3.484 N/A TYR 128.A N ILE 124.A O no hydrogen 2.983 N/A PHE 130.A N ASN 125.A O no hydrogen 3.342 N/A TYR 131.A N ASN 125.A O no hydrogen 3.180 N/A GLU 133.A N GLY 129.A O no hydrogen 3.329 N/A CYS 134.A N PHE 130.A O no hydrogen 3.014 N/A CYS 134.A SG PHE 130.A O no hydrogen 3.432 N/A LYS 135.A N TYR 131.A O no hydrogen 2.897 N/A LYS 135.A NZ ASP 132.A OD1 no hydrogen 3.336 N/A ARG 136.A N ASP 132.A O no hydrogen 2.843 N/A ARG 137.A N GLU 133.A O no hydrogen 2.928 N/A ARG 137.A NE GLN 23.A OE1 no hydrogen 3.013 N/A ARG 137.A NH1 GLU 96.A OE1 no hydrogen 3.161 N/A ARG 137.A NH1 GLU 96.A OE2 no hydrogen 3.009 N/A ARG 137.A NH2 GLN 23.A OE1 no hydrogen 3.010 N/A ARG 137.A NH2 GLU 96.A OE2 no hydrogen 2.933 N/A TYR 138.A N CYS 134.A O no hydrogen 2.536 N/A TYR 138.A OH LEU 24.A O no hydrogen 2.904 N/A ASN 139.A ND2 GLU 26.A OE1 no hydrogen 3.204 N/A LEU 142.A N ASN 139.A O no hydrogen 3.155 N/A LEU 142.A N ASN 139.A OD1 no hydrogen 3.025 N/A LYS 144.A N ILE 140.A O no hydrogen 3.060 N/A THR 145.A N LEU 142.A O no hydrogen 2.845 N/A THR 145.A OG1 LYS 141.A O no hydrogen 3.172 N/A PHE 146.A N LEU 142.A O no hydrogen 3.108 N/A THR 147.A N TRP 143.A O no hydrogen 3.173 N/A THR 147.A OG1 LYS 144.A O no hydrogen 3.155 N/A ASP 148.A N THR 145.A O no hydrogen 3.173 N/A CYS 149.A N PHE 146.A O no hydrogen 2.683 N/A CYS 149.A SG CYS 33.A O no hydrogen 3.783 N/A CYS 149.A SG SER 36.A OG no hydrogen 3.719 N/A PHE 150.A N PHE 146.A O no hydrogen 2.747 N/A ASN 151.A N THR 147.A O no hydrogen 3.425 N/A CYS 152.A N CYS 149.A O no hydrogen 3.068 N/A CYS 152.A SG ASP 148.A O no hydrogen 3.529 N/A LEU 153.A N PHE 150.A O no hydrogen 2.863 N/A ILE 155.A N ILE 45.A O no hydrogen 3.074 N/A ALA 157.A N CYS 165.A O no hydrogen 2.913 N/A ILE 158.A N LEU 47.A O no hydrogen 3.119 N/A VAL 159.A N ILE 163.A O no hydrogen 2.784 N/A ASP 160.A N LEU 49.A O no hydrogen 2.983 N/A LYS 162.A N VAL 159.A O no hydrogen 3.038 N/A LYS 162.A NZ ASP 234.A OD1 no hydrogen 3.327 N/A LYS 162.A NZ ASP 236.A OD2 no hydrogen 2.960 N/A ILE 163.A N VAL 159.A O no hydrogen 3.051 N/A PHE 164.A N LEU 237.A O no hydrogen 2.971 N/A CYS 165.A N ALA 157.A O no hydrogen 2.658 N/A CYS 166.A N CYS 239.A O no hydrogen 3.173 N/A CYS 166.A SG GLY 169.A O no hydrogen 3.495 N/A CYS 166.A SG LEU 198.A O no hydrogen 3.565 N/A HIS 167.A ND1 LEU 84.A O no hydrogen 2.816 N/A GLY 168.A N LEU 198.A O no hydrogen 3.027 N/A SER 171.A OG ASP 197.A OD2 no hydrogen 2.531 N/A ASP 173.A N SER 171.A OG no hydrogen 3.278 N/A LEU 174.A N SER 171.A O no hydrogen 3.022 N/A GLN 175.A N GLN 179.A OE1 no hydrogen 3.327 N/A GLN 175.A NE2 PRO 172.A O no hydrogen 3.594 N/A SER 176.A N GLN 179.A OE1 no hydrogen 3.180 N/A GLU 178.A N SER 176.A OG no hydrogen 3.317 N/A GLN 179.A N SER 176.A O no hydrogen 2.842 N/A ARG 181.A NH1 GLU 178.A OE2 no hydrogen 3.162 N/A ARG 181.A NH2 GLU 48.A OE2 no hydrogen 2.968 N/A ARG 182.A N GLU 178.A O no hydrogen 2.875 N/A ILE 183.A N ILE 180.A O no hydrogen 3.130 N/A ARG 185.A NH2 GLN 43.A O no hydrogen 2.837 N/A THR 187.A N ASN 151.A O no hydrogen 2.949 N/A THR 187.A OG1 ASP 188.A O no hydrogen 2.993 N/A CYS 196.A SG PRO 190.A O no hydrogen 3.681 N/A CYS 196.A SG ASP 191.A O no hydrogen 3.141 N/A ASP 197.A N GLY 193.A O no hydrogen 3.220 N/A LEU 198.A N LEU 194.A O no hydrogen 3.046 N/A LEU 199.A N CYS 196.A O no hydrogen 2.826 N/A TRP 200.A N ASP 197.A O no hydrogen 3.189 N/A SER 201.A N ASP 197.A O no hydrogen 2.971 N/A SER 201.A OG LEU 170.A O no hydrogen 3.014 N/A SER 201.A OG ASP 197.A O no hydrogen 2.882 N/A ASP 202.A N PHE 219.A O no hydrogen 3.411 N/A ASP 204.A N PHE 221.A O no hydrogen 2.962 N/A ASP 206.A N ASP 204.A OD1 no hydrogen 3.136 N/A VAL 207.A N ASP 204.A O no hydrogen 3.259 N/A GLY 209.A N GLU 224.A OE1 no hydrogen 3.005 N/A GLY 211.A N THR 220.A O no hydrogen 2.843 N/A ASN 213.A ND2 TRP 200.A O no hydrogen 3.628 N/A ASN 213.A ND2 ASP 202.A OD2 no hydrogen 3.266 N/A ASN 213.A ND2 PHE 219.A O no hydrogen 2.773 N/A ARG 215.A N ASN 213.A OD1 no hydrogen 2.818 N/A ARG 215.A NE ASP 202.A OD2 no hydrogen 2.846 N/A ARG 215.A NH2 ASP 202.A OD1 no hydrogen 3.175 N/A ARG 215.A NH2 ASP 202.A OD2 no hydrogen 3.233 N/A ARG 215.A NH2 HIS 242.A O no hydrogen 3.249 N/A GLY 216.A N ASN 213.A O no hydrogen 2.923 N/A SER 218.A OG ASP 197.A OD1 no hydrogen 2.731 N/A PHE 219.A N SER 218.A OG no hydrogen 2.582 N/A THR 220.A N GLY 211.A O no hydrogen 2.775 N/A THR 220.A OG1 GLU 212.A O no hydrogen 3.106 N/A PHE 221.A N ASP 202.A O no hydrogen 2.862 N/A GLY 222.A N GLY 209.A O no hydrogen 3.217 N/A VAL 225.A N GLU 224.A OE1 no hydrogen 3.410 N/A VAL 226.A N GLY 222.A O no hydrogen 3.438 N/A ALA 227.A N ALA 223.A O no hydrogen 3.316 N/A LYS 228.A N GLU 224.A O no hydrogen 2.918 N/A PHE 229.A N VAL 225.A O no hydrogen 3.093 N/A PHE 229.A N VAL 226.A O no hydrogen 3.096 N/A LEU 230.A N VAL 226.A O no hydrogen 2.856 N/A HIS 231.A N ALA 227.A O no hydrogen 3.048 N/A LYS 232.A N PHE 229.A O no hydrogen 3.088 N/A LYS 232.A NZ GLN 175.A O no hydrogen 3.162 N/A LEU 235.A N LEU 230.A O no hydrogen 2.809 N/A ASP 236.A N LYS 162.A O no hydrogen 2.857 N/A LEU 237.A N LYS 162.A O no hydrogen 3.396 N/A CYS 239.A N PHE 164.A O no hydrogen 2.895 N/A ARG 240.A N VAL 258.A O no hydrogen 3.260 N/A ARG 240.A NE GLY 168.A O no hydrogen 2.639 N/A ARG 240.A NH1 GLN 243.A OE1 no hydrogen 3.209 N/A ARG 240.A NH1 THR 259.A OG1 no hydrogen 2.681 N/A ARG 240.A NH2 GLY 168.A O no hydrogen 3.147 N/A ARG 240.A NH2 SER 201.A O no hydrogen 3.355 N/A ARG 240.A NH2 ASP 202.A OD1 no hydrogen 2.831 N/A ALA 241.A N HIS 167.A O no hydrogen 3.039 N/A HIS 242.A N ASP 58.A OD1 no hydrogen 3.353 N/A HIS 242.A ND1 HIS 167.A NE2 no hydrogen 2.826 N/A GLN 243.A N ALA 241.A O no hydrogen 2.735 N/A GLY 248.A N VAL 245.A O no hydrogen 3.316 N/A GLU 250.A N THR 259.A O no hydrogen 3.081 N/A PHE 252.A N LEU 257.A O no hydrogen 2.832 N/A GLN 256.A N ALA 253.A O no hydrogen 3.270 N/A GLN 256.A NE2 ALA 253.A O no hydrogen 3.184 N/A LEU 257.A N PHE 252.A O no hydrogen 3.082 N/A VAL 258.A N ILE 238.A O no hydrogen 2.928 N/A THR 259.A N GLU 250.A O no hydrogen 2.742 N/A LEU 260.A N ARG 240.A O no hydrogen 2.727 N/A PHE 261.A N GLY 248.A O no hydrogen 2.873 N/A SER 262.A N ASP 58.A O no hydrogen 3.243 N/A SER 262.A OG ALA 275.A O no hydrogen 3.213 N/A ASN 265.A N ASN 272.A O no hydrogen 3.229 N/A TYR 266.A N ASN 272.A OD1 no hydrogen 3.344 N/A CYS 267.A SG TYR 266.A O no hydrogen 2.980 N/A GLY 268.A N ASN 265.A O no hydrogen 2.732 N/A ASN 272.A ND2 VAL 245.A O no hydrogen 3.573 N/A ASN 272.A ND2 ALA 263.A O no hydrogen 3.662 N/A ALA 273.A N GLU 246.A O no hydrogen 2.963 N/A GLY 274.A N LEU 290.A O no hydrogen 3.039 N/A ALA 275.A N PHE 261.A O no hydrogen 2.979 N/A MET 276.A N GLN 288.A O no hydrogen 3.044 N/A MET 277.A N ILE 55.A O no hydrogen 2.990 N/A SER 278.A N SER 286.A O no hydrogen 2.729 N/A VAL 279.A N LEU 53.A O no hydrogen 3.198 N/A THR 282.A N ASP 280.A OD1 no hydrogen 2.969 N/A THR 282.A OG1 ASP 280.A OD1 no hydrogen 2.571 N/A THR 282.A OG1 ASP 280.A OD2 no hydrogen 3.478 N/A LEU 283.A N ASP 280.A O no hydrogen 2.826 N/A MET 284.A N ASP 280.A OD1 no hydrogen 3.002 N/A CYS 285.A SG LEU 283.A O no hydrogen 3.793 N/A SER 286.A N SER 278.A O no hydrogen 2.794 N/A GLN 288.A NE2 TYR 72.A O no hydrogen 3.665 N/A LEU 290.A N GLY 274.A O no hydrogen 2.669 N/A