Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4tni_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N GLY 1.A O no hydrogen 3.251 N/A LEU 6.A N TRP 2.A O no hydrogen 2.635 N/A ASP 7.A N PHE 3.A O no hydrogen 2.667 N/A ASP 8.A N ASP 4.A O no hydrogen 2.937 N/A TRP 9.A N ILE 5.A O no hydrogen 3.169 N/A LEU 10.A N LEU 6.A O no hydrogen 3.072 N/A LYS 11.A N ASP 7.A O no hydrogen 2.849 N/A LYS 11.A NZ ASP 7.A OD2 no hydrogen 2.802 N/A ARG 12.A N TRP 9.A O no hydrogen 3.154 N/A ARG 14.A NH1 LEU 10.A O no hydrogen 2.825 N/A ARG 14.A NH2 TRP 9.A O no hydrogen 2.259 N/A GLY 19.A N LEU 10.A O no hydrogen 3.340 N/A TRP 20.A N GLU 119.A OE2 no hydrogen 2.911 N/A TRP 20.A NE1 ASP 7.A OD2 no hydrogen 3.268 N/A SER 21.A N GLU 119.A OE1 no hydrogen 3.127 N/A SER 21.A OG GLU 119.A OE1 no hydrogen 3.050 N/A ILE 23.A N TRP 20.A O no hydrogen 3.093 N/A LEU 24.A N SER 21.A O no hydrogen 2.833 N/A LEU 25.A N SER 21.A O no hydrogen 2.812 N/A PHE 26.A N GLY 22.A O no hydrogen 3.155 N/A CYS 28.A SG LEU 24.A O no hydrogen 3.407 N/A ALA 29.A N LEU 25.A O no hydrogen 2.824 N/A TYR 30.A N PHE 26.A O no hydrogen 3.133 N/A LEU 31.A N PRO 27.A O no hydrogen 3.134 N/A ALA 32.A N CYS 28.A O no hydrogen 2.751 N/A LEU 33.A N ALA 29.A O no hydrogen 3.176 N/A GLY 34.A N TYR 30.A O no hydrogen 2.740 N/A GLY 35.A N LEU 31.A O no hydrogen 2.624 N/A TRP 36.A N ALA 32.A O no hydrogen 3.126 N/A LEU 37.A N LEU 33.A O no hydrogen 3.058 N/A THR 38.A N GLY 34.A O no hydrogen 2.785 N/A THR 38.A OG1 GLY 34.A O no hydrogen 2.628 N/A GLY 39.A N GLY 35.A O no hydrogen 3.044 N/A THR 40.A N TRP 36.A O no hydrogen 2.731 N/A THR 40.A OG1 TRP 36.A O no hydrogen 2.363 N/A THR 41.A N THR 38.A O no hydrogen 3.051 N/A THR 41.A OG1 THR 38.A O no hydrogen 3.241 N/A PHE 42.A N THR 38.A O no hydrogen 2.998 N/A THR 44.A OG1 GLU 57.A OE1 no hydrogen 2.830 N/A THR 44.A OG1 GLU 57.A OE2 no hydrogen 2.872 N/A SER 45.A N LEU 51.A O no hydrogen 3.245 N/A SER 45.A OG SER 53.A OG no hydrogen 2.541 N/A SER 45.A OG SER 67.A OG no hydrogen 2.698 N/A TRP 46.A N THR 44.A OG1 no hydrogen 3.193 N/A THR 48.A OG1 THR 68.A O no hydrogen 3.044 N/A HIS 49.A N SER 45.A O no hydrogen 2.762 N/A GLY 50.A N TRP 46.A O no hydrogen 2.882 N/A LEU 51.A N SER 45.A O no hydrogen 3.144 N/A SER 53.A N GLU 57.A OE2 no hydrogen 3.044 N/A SER 53.A OG VAL 43.A O no hydrogen 3.531 N/A SER 53.A OG SER 45.A OG no hydrogen 2.541 N/A SER 54.A OG PHE 42.A O no hydrogen 3.558 N/A SER 54.A OG GLU 57.A OE2 no hydrogen 3.164 N/A TYR 55.A N THR 40.A O no hydrogen 3.167 N/A LEU 56.A N THR 41.A O no hydrogen 3.051 N/A GLU 57.A N SER 54.A O no hydrogen 3.076 N/A GLY 58.A N SER 54.A O no hydrogen 3.233 N/A GLY 58.A N TYR 55.A O no hydrogen 2.925 N/A CYS 59.A N SER 54.A O no hydrogen 2.966 N/A ASN 60.A N THR 63.A OG1 no hydrogen 2.918 N/A LEU 62.A N ASN 60.A OD1 no hydrogen 2.896 N/A THR 63.A N ASN 60.A OD1 no hydrogen 3.326 N/A THR 63.A OG1 ASN 60.A O no hydrogen 3.389 N/A VAL 64.A N ASN 60.A O no hydrogen 2.831 N/A ALA 65.A N SER 53.A O no hydrogen 3.135 N/A VAL 66.A N PHE 161.A O no hydrogen 2.684 N/A SER 67.A OG SER 45.A OG no hydrogen 2.698 N/A THR 68.A N SER 160.A OG no hydrogen 3.136 N/A THR 68.A OG1 HIS 49.A NE2 no hydrogen 2.911 N/A THR 68.A OG1 PHE 156.A O no hydrogen 2.898 N/A MET 73.A N ALA 70.A O no hydrogen 3.355 N/A GLY 74.A N ASN 71.A O no hydrogen 3.355 N/A HIS 75.A NE2 PRO 149.A O no hydrogen 2.686 N/A SER 76.A N MET 73.A O no hydrogen 3.464 N/A LEU 78.A N SER 76.A OG no hydrogen 2.968 N/A GLY 82.A N LEU 79.A O no hydrogen 2.901 N/A GLN 86.A N GLY 82.A O no hydrogen 2.722 N/A GLN 86.A NE2 PRO 83.A O no hydrogen 3.512 N/A GLY 87.A N LEU 80.A O no hydrogen 2.818 N/A ASP 88.A N ALA 85.A O no hydrogen 3.275 N/A ARG 91.A N ASP 88.A OD1 no hydrogen 2.756 N/A ARG 91.A NE GLN 94.A OE1 no hydrogen 2.563 N/A ARG 91.A NH2 GLN 94.A OE1 no hydrogen 3.028 N/A TRP 92.A NE1 LEU 78.A O no hydrogen 2.982 N/A CYS 93.A N PHE 89.A O no hydrogen 2.918 N/A CYS 93.A SG PHE 89.A O no hydrogen 3.398 N/A GLN 94.A N THR 90.A O no hydrogen 3.048 N/A LEU 95.A N ARG 91.A O no hydrogen 2.901 N/A GLY 96.A N CYS 93.A O no hydrogen 3.104 N/A GLY 97.A N TRP 92.A O no hydrogen 2.766 N/A TRP 99.A N GLY 96.A O no hydrogen 3.391 N/A THR 100.A OG1 LEU 77.A O no hydrogen 3.015 N/A THR 100.A OG1 GLY 97.A O no hydrogen 3.071 N/A PHE 101.A N GLY 97.A O no hydrogen 3.167 N/A ILE 102.A N LEU 98.A O no hydrogen 2.919 N/A ALA 103.A N TRP 99.A O no hydrogen 2.806 N/A LEU 104.A N THR 100.A O no hydrogen 3.020 N/A HIS 105.A N PHE 101.A O no hydrogen 3.038 N/A GLY 106.A N ILE 102.A O no hydrogen 2.798 N/A ALA 107.A N ALA 103.A O no hydrogen 2.816 N/A PHE 108.A N LEU 104.A O no hydrogen 3.242 N/A GLY 109.A N HIS 105.A O no hydrogen 2.876 N/A LEU 110.A N GLY 106.A O no hydrogen 2.915 N/A LEU 110.A N ALA 107.A O no hydrogen 3.156 N/A ILE 111.A N ALA 107.A O no hydrogen 3.212 N/A GLY 112.A N PHE 108.A O no hydrogen 2.861 N/A PHE 113.A N GLY 109.A O no hydrogen 3.085 N/A MET 114.A N LEU 110.A O no hydrogen 3.326 N/A LEU 115.A N ILE 111.A O no hydrogen 3.046 N/A ARG 116.A N GLY 112.A O no hydrogen 2.782 N/A GLN 117.A N PHE 113.A O no hydrogen 3.068 N/A PHE 118.A N MET 114.A O no hydrogen 2.908 N/A GLU 119.A N LEU 115.A O no hydrogen 2.668 N/A ILE 120.A N ARG 116.A O no hydrogen 2.701 N/A ALA 121.A N GLN 117.A O no hydrogen 2.988 N/A ARG 122.A N PHE 118.A O no hydrogen 3.172 N/A ARG 122.A NE ARG 122.A O no hydrogen 3.228 N/A LEU 123.A N GLU 119.A O no hydrogen 3.208 N/A VAL 124.A N ILE 120.A O no hydrogen 2.899 N/A VAL 126.A N ALA 121.A O no hydrogen 2.818 N/A ALA 131.A N PRO 128.A O no hydrogen 3.098 N/A ILE 132.A N PRO 128.A O no hydrogen 3.267 N/A ALA 133.A N TYR 129.A O no hydrogen 3.416 N/A PHE 134.A N ASN 130.A O no hydrogen 3.380 N/A SER 135.A N ILE 132.A O no hydrogen 3.202 N/A SER 135.A OG ILE 132.A O no hydrogen 2.522 N/A ALA 136.A N ALA 133.A O no hydrogen 3.252 N/A ALA 139.A N SER 135.A O no hydrogen 2.968 N/A VAL 140.A N ALA 136.A O no hydrogen 3.263 N/A PHE 141.A N PRO 137.A O no hydrogen 3.205 N/A VAL 142.A N ILE 138.A O no hydrogen 2.818 N/A SER 143.A N ALA 139.A O no hydrogen 2.733 N/A SER 143.A OG ALA 139.A O no hydrogen 2.985 N/A SER 143.A OG VAL 140.A O no hydrogen 2.916 N/A VAL 144.A N VAL 140.A O no hydrogen 2.781 N/A PHE 145.A N PHE 141.A O no hydrogen 2.842 N/A LEU 146.A N VAL 142.A O no hydrogen 3.160 N/A ILE 147.A N VAL 142.A O no hydrogen 2.748 N/A TYR 148.A N SER 143.A O no hydrogen 2.734 N/A TYR 148.A OH HIS 177.A NE2 no hydrogen 2.821 N/A LEU 150.A N LEU 146.A O no hydrogen 3.096 N/A GLY 151.A N ILE 147.A O no hydrogen 3.175 N/A GLY 151.A N TYR 148.A O no hydrogen 2.988 N/A GLN 152.A N TYR 148.A O no hydrogen 3.217 N/A GLN 152.A N PRO 149.A O no hydrogen 3.142 N/A GLN 152.A NE2 ASN 280.A OD1 no hydrogen 2.963 N/A SER 153.A OG ASN 71.A OD1 no hydrogen 2.944 N/A SER 154.A OG ASN 71.A OD1 no hydrogen 2.515 N/A TRP 155.A N GLY 74.A O no hydrogen 3.207 N/A TRP 155.A NE1 SER 76.A O no hydrogen 2.732 N/A PHE 156.A N SER 154.A OG no hydrogen 3.282 N/A ALA 158.A N TRP 155.A O no hydrogen 2.893 N/A PHE 161.A N VAL 66.A O no hydrogen 3.312 N/A ALA 164.A N LEU 62.A O no hydrogen 2.879 N/A ILE 166.A N VAL 163.A O no hydrogen 3.150 N/A PHE 167.A N VAL 163.A O no hydrogen 3.397 N/A ARG 168.A N ALA 164.A O no hydrogen 3.228 N/A LEU 170.A N ILE 166.A O no hydrogen 3.064 N/A LEU 171.A N PHE 167.A O no hydrogen 3.052 N/A PHE 172.A N ARG 168.A O no hydrogen 2.737 N/A PHE 173.A N PHE 169.A O no hydrogen 3.305 N/A GLN 174.A N LEU 170.A O no hydrogen 3.105 N/A GLN 174.A NE2 ASN 178.A OD1 no hydrogen 2.991 N/A GLN 174.A NE2 ASN 310.A OD1 no hydrogen 2.585 N/A GLY 175.A N LEU 171.A O no hydrogen 2.937 N/A PHE 176.A N PHE 172.A O no hydrogen 2.720 N/A HIS 177.A N PHE 173.A O no hydrogen 2.949 N/A HIS 177.A NE2 TYR 148.A OH no hydrogen 2.821 N/A ASN 178.A N GLN 174.A O no hydrogen 3.017 N/A ASN 178.A ND2 TYR 284.A O no hydrogen 2.912 N/A TRP 179.A N PHE 173.A O no hydrogen 3.054 N/A THR 180.A OG1 GLN 174.A OE1 no hydrogen 2.850 N/A LEU 181.A N ASN 178.A O no hydrogen 2.939 N/A ASN 182.A N TRP 179.A O no hydrogen 3.135 N/A PHE 184.A N ASN 182.A OD1 no hydrogen 2.901 N/A MET 186.A N ASN 182.A O no hydrogen 3.008 N/A MET 187.A N PRO 183.A O no hydrogen 3.078 N/A GLY 188.A N PHE 184.A O no hydrogen 3.069 N/A VAL 189.A N HIS 185.A O no hydrogen 3.034 N/A ALA 190.A N MET 186.A O no hydrogen 2.950 N/A GLY 191.A N MET 187.A O no hydrogen 2.933 N/A GLY 191.A N GLY 188.A O no hydrogen 2.994 N/A VAL 192.A N GLY 188.A O no hydrogen 3.007 N/A LEU 193.A N VAL 189.A O no hydrogen 2.602 N/A GLY 194.A N ALA 190.A O no hydrogen 3.019 N/A GLY 195.A N GLY 191.A O no hydrogen 2.669 N/A ALA 196.A N VAL 192.A O no hydrogen 2.785 N/A LEU 197.A N GLY 194.A O no hydrogen 3.314 N/A LEU 198.A N GLY 194.A O no hydrogen 3.102 N/A CYS 199.A N GLY 195.A O no hydrogen 3.093 N/A ILE 201.A N LEU 197.A O no hydrogen 2.693 N/A HIS 202.A N LEU 198.A O no hydrogen 3.013 N/A GLY 203.A N CYS 199.A O no hydrogen 3.346 N/A ALA 204.A N ALA 200.A O no hydrogen 3.084 N/A THR 205.A N ILE 201.A O no hydrogen 2.949 N/A THR 205.A OG1 ILE 201.A O no hydrogen 2.380 N/A VAL 206.A N HIS 202.A O no hydrogen 2.966 N/A GLU 207.A N GLY 203.A O no hydrogen 3.011 N/A ASN 208.A N ALA 204.A O no hydrogen 3.225 N/A ASN 208.A ND2 ALA 204.A O no hydrogen 2.340 N/A THR 209.A N VAL 206.A O no hydrogen 3.164 N/A THR 209.A OG1 SER 233.A O no hydrogen 3.081 N/A PHE 211.A N THR 231.A O no hydrogen 3.208 N/A GLN 212.A NE2 GLY 214.A O no hydrogen 3.088 N/A ALA 222.A N THR 219.A O no hydrogen 3.263 N/A SER 233.A N THR 209.A O no hydrogen 2.848 N/A SER 233.A OG THR 236.A OG1 no hydrogen 2.803 N/A MET 234.A N GLU 230.A OE2 no hydrogen 3.226 N/A THR 236.A N SER 233.A OG no hydrogen 3.135 N/A THR 236.A OG1 SER 233.A OG no hydrogen 2.803 N/A ALA 237.A N SER 233.A O no hydrogen 3.140 N/A ASN 238.A N MET 234.A O no hydrogen 3.112 N/A ASN 238.A ND2 PHE 249.A O no hydrogen 2.793 N/A ARG 239.A N VAL 235.A O no hydrogen 3.347 N/A PHE 240.A N THR 236.A O no hydrogen 2.954 N/A TRP 241.A N ALA 237.A O no hydrogen 3.237 N/A TRP 241.A NE1 THR 205.A OG1 no hydrogen 3.117 N/A SER 242.A N ASN 238.A O no hydrogen 3.039 N/A SER 242.A OG ASN 238.A O no hydrogen 2.656 N/A GLN 243.A N PHE 240.A O no hydrogen 2.845 N/A ILE 244.A N PHE 240.A O no hydrogen 3.117 N/A PHE 245.A N TRP 241.A O no hydrogen 2.853 N/A GLY 246.A N TRP 241.A O no hydrogen 2.956 N/A TRP 254.A N ASN 251.A O no hydrogen 2.790 N/A TRP 254.A N ASN 251.A OD1 no hydrogen 3.217 N/A LEU 255.A N ASN 251.A O no hydrogen 2.981 N/A HIS 256.A N LYS 252.A O no hydrogen 3.112 N/A HIS 256.A ND1 LYS 252.A O no hydrogen 2.480 N/A PHE 257.A N ARG 253.A O no hydrogen 3.394 N/A PHE 258.A N TRP 254.A O no hydrogen 2.811 N/A MET 259.A N LEU 255.A O no hydrogen 3.218 N/A LEU 260.A N HIS 256.A O no hydrogen 3.208 N/A LEU 260.A N PHE 257.A O no hydrogen 2.860 N/A PHE 261.A N PHE 257.A O no hydrogen 2.779 N/A VAL 262.A N PHE 258.A O no hydrogen 3.145 N/A VAL 264.A N LEU 260.A O no hydrogen 3.378 N/A THR 265.A N PHE 261.A O no hydrogen 2.781 N/A THR 265.A OG1 PHE 261.A O no hydrogen 2.723 N/A GLY 266.A N VAL 262.A O no hydrogen 3.177 N/A LEU 267.A N PRO 263.A O no hydrogen 3.323 N/A TRP 268.A N VAL 264.A O no hydrogen 3.298 N/A TRP 268.A NE1 SER 135.A OG no hydrogen 3.216 N/A MET 269.A N THR 265.A O no hydrogen 3.041 N/A SER 270.A N GLY 266.A O no hydrogen 3.023 N/A SER 270.A OG LEU 267.A O no hydrogen 2.634 N/A ALA 271.A N LEU 267.A O no hydrogen 3.046 N/A ALA 271.A N TRP 268.A O no hydrogen 3.190 N/A ILE 272.A N TRP 268.A O no hydrogen 3.210 N/A GLY 273.A N MET 269.A O no hydrogen 3.254 N/A VAL 274.A N SER 270.A O no hydrogen 3.349 N/A VAL 275.A N ALA 271.A O no hydrogen 2.905 N/A GLY 276.A N ILE 272.A O no hydrogen 3.042 N/A GLY 276.A N GLY 273.A O no hydrogen 3.195 N/A LEU 277.A N GLY 273.A O no hydrogen 3.089 N/A ALA 278.A N VAL 274.A O no hydrogen 3.092 N/A ASN 280.A N LEU 277.A O no hydrogen 2.995 N/A LEU 281.A N GLY 276.A O no hydrogen 2.789 N/A ARG 282.A N ASN 280.A O no hydrogen 2.769 N/A ARG 282.A NH1 HIS 177.A ND1 no hydrogen 3.208 N/A SER 283.A OG LEU 181.A O no hydrogen 3.309 N/A PHE 286.A N TYR 303.A OH no hydrogen 2.885 N/A GLN 289.A N PHE 286.A O no hydrogen 2.953 N/A GLU 290.A N PHE 286.A O no hydrogen 3.152 N/A ILE 291.A N ILE 287.A O no hydrogen 3.138 N/A ALA 293.A N GLN 289.A O no hydrogen 2.968 N/A ALA 294.A N GLU 290.A O no hydrogen 2.881 N/A GLU 295.A N ILE 291.A O no hydrogen 3.361 N/A ASP 296.A N ARG 292.A O no hydrogen 2.695 N/A GLU 298.A N ASP 296.A OD1 no hydrogen 3.181 N/A PHE 299.A N ASP 296.A O no hydrogen 3.432 N/A THR 301.A OG1 GLN 289.A OE1 no hydrogen 3.413 N/A TYR 303.A N THR 301.A OG1 no hydrogen 3.210 N/A TYR 303.A OH GLU 290.A OE2 no hydrogen 2.415 N/A THR 304.A N THR 301.A OG1 no hydrogen 3.355 N/A THR 304.A OG1 THR 301.A O no hydrogen 2.841 N/A LYS 305.A N THR 301.A O no hydrogen 3.204 N/A ASN 306.A N PHE 302.A O no hydrogen 3.405 N/A LEU 307.A N TYR 303.A O no hydrogen 3.344 N/A LEU 308.A N THR 304.A O no hydrogen 3.367 N/A LEU 309.A N LYS 305.A O no hydrogen 3.320 N/A ASN 310.A N ASN 306.A O no hydrogen 2.973 N/A GLU 311.A N LEU 307.A O no hydrogen 3.026 N/A GLY 312.A N LEU 308.A O no hydrogen 3.259 N/A ILE 313.A N LEU 309.A O no hydrogen 2.991 N/A ARG 314.A N ASN 310.A O no hydrogen 2.875 N/A ARG 314.A NH1 GLY 175.A O no hydrogen 2.939 N/A ARG 314.A NH1 TYR 284.A OH no hydrogen 2.542 N/A ARG 314.A NH2 GLU 311.A OE2 no hydrogen 3.510 N/A ALA 315.A N GLU 311.A O no hydrogen 3.034 N/A TRP 316.A N GLY 312.A O no hydrogen 3.060 N/A MET 317.A N ILE 313.A O no hydrogen 3.112 N/A ALA 318.A N ARG 314.A O no hydrogen 3.131 N/A ASP 321.A N MET 317.A O no hydrogen 2.976 N/A ASP 321.A N ALA 318.A O no hydrogen 3.312 N/A GLN 322.A N ALA 318.A O no hydrogen 2.818 N/A GLU 325.A N GLN 322.A O no hydrogen 3.012 N/A ASN 326.A N PRO 323.A O no hydrogen 2.935 N/A VAL 333.A N PRO 330.A O no hydrogen 2.960 N/A LEU 334.A N GLU 331.A O no hydrogen 3.391 N/A ARG 336.A NE LEU 340.A OXT no hydrogen 3.378 N/A ARG 336.A NH2 LEU 340.A O no hydrogen 2.386 N/A ARG 336.A NH2 LEU 340.A OXT no hydrogen 3.289 N/A LEU 340.A N ASN 338.A O no hydrogen 2.479 N/A