A0A3Q0KTF6_SCHMA Loading...

Centrosomal protein of

AlphaFold DB , UniProt , Accession A0A3Q0KTF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,889 aa.

>A0A3Q0KTF6_SCHMA|A0A3Q0KTF6
MPEYPLYPFGPSISEIQQVTRDEIERRRRLRILQVRIQAKRNAIKVRMLYNAKKQQLLDVIAKDLQRAREDVKLLEAKKDEYCSVMNQYGIGHRSAENWSDPTLETYWKLSVAQKQAEDRFNIAVDKLHKEKLIQDLTQHETQERIKEVRNTEKKRAALIASLPPPKGILSEEILKPALACEPLVLVYDIEARNTIHTQNVQSKVVVKSINVDEEKDIGPQSAAISACKEEQRIQAVERENAIHAREDLIKADMRGRQAMRKERVRQYYQALLNRLDEVKRNETLLRRSQLYSGTVDSSHGHGGGPWDDAVVNRRMEKVFEDELLYQLSNINHEEYIDDIEENTLENDNNNNNNNNNAINGCNDVLDVESEQKSLPVKDVKLTNDSNLVEQPLSLSNDQVLELYQDINDVDEISHHDEHLSVIEEKDELMPDEKKSVNSIDLGPGERPILPDIRRCRILSESINFTNSIHNINHNETCKLTHGNSKISPRSVALSKTSFQDKSTSDICTDNENIQLRQKVLDEELDMIDKRINRLRLGSACDLHESQSHSIKLSRKDLEESTEINNNITPRNMYIVEGSVYGDNGVSDRKDYSNLPIDLLNTKPKTDETPSLPLLSQPTTTVALNVFSSESTAVSQKISASMASNDQSTYNTESTVVKYCISKPITGVLAERARDLIRIQKAKLLNLEKYKSTSELSQSSHTSNQSSIDMDSEISTNSSATNMEINKHEDVSCFSPNDSKQIMDYCSIPNLGKHSSGWCTNDDKQSFEFSLQENINMYGSSIPSTTTPVIVNKSVQPPKSQYDYDAHDKSLSNEIIIRDDIVQDVSKTPNHDSCFETVSCIQNLNKRNNESYKHPHELNTIQISNEKSQKLEIKIPFELSPSDPPITISSQSTHLVDIPPMNNNLSTLQSPSSSSSSSTLSPQSTINSPSSVGSQQTMPPLSSSDKPQSLESCTTSDTLKAELKALLTSSLINSIISHNSSVTTDTNDLKRLFSSQSYLLSSLSGIYRNAKTQTTEISSETELPYPITSNSSISPLNPSQLSLSPKNAQLEKLSDNTSNDQQSNANPTERPLCDGHMDNQSIDNNYPNKLTVNDDLIKTIKQRILNKYINANKEWLVTLSGLNNGKLLQTNSSSPSSSNSGVEFHYLSEVTDNKEINWSETRSDSSSLRSKQISISKSPETHEIFSSPQTNSPLSMIYSARFKPLPRLEEATSEESIHTVQVISDFNNLSNTPSSWTDSRKSSEFGNLSNYSTINSNTTYMPDKSLKNGNTDSFVHNVLNNEVNSHHLSEENDTIKQLLDNIPNTPIESNNNEIVPCLGSKLSSTSLPDKLDDGTVNVQEFDLKIISCATPVNDQRNNVTASETLVIINAISSDKIPDENLSENSRPSSPAEGAVSKFSPSYHQNVKFNVSNSLPSVFVESMDGCEKYQRQTETVHYSSDNNLKTFIQTNEASLTDSLLSFERHEVRCDLLSNSGTCAAGGGLKSQSPDTLSNNVDAKNVSPPTDILNNKKTTVKPTITYSKCLPSEHTIKDCMDNQRDRIPSNHVVVKTSNTKKLDSFVCTSSKQKTTRSGIVQSLFTTGQRSIRSKPSNVSVPSSSTQITRRSSLKSTNVTNLSVNNKRLPSIPVCTPNSTRLSGKQIKVSESYICTKLNPFNQAKVLQMELSQWQQKRLKCYQEPQNNKMTISTSTIIPKTDTNCISIDVDNNIPLIPDDNVHSIIDLKNIPGSMQIKSDQQTIENNQSSPSNDNVNQTSVDLTVVNEDQPVLSSLPGIDDSHPPLAVCSGDLSIIKPVSEMNVPGDSTAPVSEHPNNVNFPLASAIPPPDVSKPDNHCVKRINAISCTPMSSSKSYERNDSTLFDYGRRQRAHANRQRVKEFDRIRREQLMKRRV
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.9Very low52.4Low196 Ų196141.1 Ų141.197%0.96674%0.743SS**  0142.70-71.2-163.678.200110E3M1-E3 PolarHBondContact N-OE1 3.18Å; M1-E3 VanDerWaalsContact N-OE1 3.16Å; M1-E3 PolarHBondContact N-OE2 2.98Å; M1-E3 PolarHBondContact O-N 3.49Å
2P54.9Low54.1Low114 Ų114133.8 Ų133.874%0.7471%0.712SS**  -4192.2-110.432.3-35.3000112.3Y4P2-Y4 HydrophobicContact CB-CD2 4.14Å; P2-Y4 HydrophobicContact CB-CE2 4.16Å; P2-Y4 PolarHBondContact O-N 3.21Å
3E38.9Very low56.1Low158 Ų158133.5 Ų133.574%0.73871%0.708SS**  trans-68.5114.7176.5-70.197.5159.800110.8M1M1-E3 PolarHBondContact N-OE1 3.18Å; M1-E3 VanDerWaalsContact N-OE1 3.16Å; M1-E3 PolarHBondContact N-OE2 2.98Å; M1-E3 PolarHBondContact O-N 3.49Å
4Y53.4Low57.9Low202 Ų202129.1 Ų129.179%0.79269%0.694SS**  trans-133.2153.4172-78.4-78.4000110P2P2-Y4 HydrophobicContact CB-CD2 4.14Å; P2-Y4 HydrophobicContact CB-CE2 4.16Å; P2-Y4 PolarHBondContact O-N 3.21Å
5P49.9Very low59.6Low89 Ų89127.4 Ų127.458%0.57868%0.68SS**  trans-82.9157.3-133.1-19.734.2000116.2Y7P5-Y7 PolarHBondContact O-N 2.98Å
6L44.2Very low61.1Low177 Ų177124.8 Ų124.893%0.92767%0.665SS**  trans-61.9105.9159.9-79.986000109.4
7Y49.7Very low62.7Low180 Ų180123.7 Ų123.771%0.70666%0.655SS**  trans-87.5121.6171.5-93.8-85.1000110.8P5 F9P5-Y7 PolarHBondContact O-N 2.98Å; Y7-F9 VanDerWaalsContact C-N 3.27Å; Y7-F9 AromaticContact CD1-CD2 3.96Å; Y7-F9 HydrophobicContact CD1-CD2 3.96Å; Y7-F9 HydrophobicContact CD1-CE2 4.01Å; Y7-F9 PolarHBondContact O-N 3.1Å
8P53Low64.1Low115 Ų115122.3 Ų122.375%0.74764%0.644SS**  trans-86.358.7-173.836.4-37.3000112.3
9F57.6Low65.4Low170 Ų170121.1 Ų121.175%0.74664%0.642SS**  trans-127.161.6-178.1-67.7-76.1000112.6Y7Y7-F9 VanDerWaalsContact C-N 3.27Å; Y7-F9 AromaticContact CD1-CD2 3.96Å; Y7-F9 HydrophobicContact CD1-CD2 3.96Å; Y7-F9 HydrophobicContact CD1-CE2 4.01Å; Y7-F9 PolarHBondContact O-N 3.1Å
10G64.1Low66.7Low65 Ų65118.7 Ų118.767%0.6763%0.632SS**PPolyproline II helixtrans-71.1143.915300000109.3S12G10-S12 PolarHBondContact O-N 2.61Å
11P67.2Low67.8Low86 Ų86119.1 Ų119.156%0.55863%0.625SS**PPolyproline II helixtrans-58.3140.3175.424.6-32.9000110E15 I16P11-E15 HydrophobicContact CB-CB 4.29Å; P11-I16 HydrophobicContact CB-CG1 4.11Å; P11-I16 HydrophobicContact CG-CD1 4.15Å; P11-I16 HydrophobicContact CG-CG1 3.85Å; P11-I16 WeakPolarHBondContact O-CD1 3.49Å
12S72.5Confident70.2Confident54 Ų54114.1 Ų114.138%0.37860%0.602SS.*PPolyproline II helixtrans-61.2155.3-178.768.10000111.1G10 S14 E15 I16G10-S12 PolarHBondContact O-N 2.61Å; S12-S14 PolarHBondContact O-N 2.84Å; S12-S14 VanDerWaalsContact O-N 3.1Å; S12-E15 WeakPolarHBondContact CB-OE2 3.32Å; S12-E15 PolarHBondContact N-OE2 2.77Å; S12-E15 PolarHBondContact O-N 3.29Å; S12-E15 WeakPolarHBondContact OG-CG 3.35Å; S12-E15 PolarHBondContact OG-N 3.3Å; S12-E15 PolarHBondContact OG-OE2 3.48Å; S12-I16 WeakPolarHBondContact O-CG1 3.43Å; S12-I16 PolarHBondContact O-N 3.31Å
13I79.7Confident71.9Confident129 Ų129111.7 Ų111.766%0.66258%0.581SS**Hα-helixtrans-56.2-31.2176.4-64.8173.5000110.9Q17I13-Q17 HydrophobicContact CG2-CG 4.48Å; I13-Q17 WeakPolarHBondContact O-CB 3.19Å; I13-Q17 WeakPolarHBondContact O-CG 3.48Å; I13-Q17 PolarHBondContact O-N 2.72Å
14S81.9Confident74.6Confident72 Ų72109 Ų10950%0.50357%0.57SS.*Hα-helixtrans-65.3-46.9173.5-168.70000112.6S12 Q17 Q18S12-S14 PolarHBondContact O-N 2.84Å; S12-S14 VanDerWaalsContact O-N 3.1Å; S14-Q17 PolarHBondContact O-N 3.23Å; S14-Q18 WeakPolarHBondContact O-CB 3.18Å; S14-Q18 PolarHBondContact O-N 3.25Å
15E82.9Confident76.5Confident104 Ų104101.8 Ų101.849%0.48654%0.544SS..Hα-helixtrans-65.8-42.4177.6-71.2159126.300111.6P11 S12 Q17 Q18 V19P11-E15 HydrophobicContact CB-CB 4.29Å; S12-E15 WeakPolarHBondContact CB-OE2 3.32Å; S12-E15 PolarHBondContact N-OE2 2.77Å; S12-E15 PolarHBondContact O-N 3.29Å; S12-E15 WeakPolarHBondContact OG-CG 3.35Å; S12-E15 PolarHBondContact OG-N 3.3Å; S12-E15 PolarHBondContact OG-OE2 3.48Å; E15-Q17 VanDerWaalsContact C-N 3.33Å; E15-Q17 PolarHBondContact O-N 2.83Å; E15-Q18 PolarHBondContact O-N 2.97Å; E15-Q18 VanDerWaalsContact O-N 3.13Å; E15-V19 WeakPolarHBondContact O-CG2 3.43Å; E15-V19 PolarHBondContact O-N 3.44Å
16I84.4Confident78.7Confident85 Ų85105.1 Ų105.144%0.43655%0.545SS..Hα-helixtrans-60.2-44.4174.4-62.3171.4000110.3P11 S12 Q18 T20P11-I16 HydrophobicContact CB-CG1 4.11Å; P11-I16 HydrophobicContact CG-CD1 4.15Å; P11-I16 HydrophobicContact CG-CG1 3.85Å; P11-I16 WeakPolarHBondContact O-CD1 3.49Å; S12-I16 WeakPolarHBondContact O-CG1 3.43Å; S12-I16 PolarHBondContact O-N 3.31Å; I16-Q18 VanDerWaalsContact C-N 3.33Å; I16-Q18 PolarHBondContact O-N 2.83Å; I16-T20 VanDerWaalsContact O-CB 3.29Å; I16-T20 WeakPolarHBondContact O-CB 3.37Å; I16-T20 PolarHBondContact O-N 3.44Å; I16-T20 PolarHBondContact O-OG1 2.93Å
17Q87.7Confident81.1Confident107 Ų107103.5 Ų103.550%0.553%0.527SS..Hα-helixtrans-65.5-33.7175.3-75.6175.610.200112.8I13 S14 E15 R21I13-Q17 HydrophobicContact CG2-CG 4.48Å; I13-Q17 WeakPolarHBondContact O-CB 3.19Å; I13-Q17 WeakPolarHBondContact O-CG 3.48Å; I13-Q17 PolarHBondContact O-N 2.72Å; S14-Q17 PolarHBondContact O-N 3.23Å; E15-Q17 VanDerWaalsContact C-N 3.33Å; E15-Q17 PolarHBondContact O-N 2.83Å; Q17-R21 WeakPolarHBondContact O-CB 3.46Å; Q17-R21 WeakPolarHBondContact O-CG 3.44Å; Q17-R21 PolarHBondContact O-N 3.01Å; Q17-R21 PolarHBondContact O-NE 3Å
18Q88.2Confident83.3Confident99 Ų99101.7 Ų101.746%0.46352%0.519SS..Hα-helixtrans-70.7-50.4176.6-179.1164.7-16.400111.5S14 E15 I16 T20 R21 D22S14-Q18 WeakPolarHBondContact O-CB 3.18Å; S14-Q18 PolarHBondContact O-N 3.25Å; E15-Q18 PolarHBondContact O-N 2.97Å; E15-Q18 VanDerWaalsContact O-N 3.13Å; I16-Q18 VanDerWaalsContact C-N 3.33Å; I16-Q18 PolarHBondContact O-N 2.83Å; Q18-T20 PolarHBondContact O-N 3.48Å; Q18-R21 WeakPolarHBondContact O-CA 3.29Å; Q18-R21 WeakPolarHBondContact O-CB 3.46Å; Q18-R21 PolarHBondContact O-N 3.13Å; Q18-D22 WeakPolarHBondContact CG-OD2 3.4Å; Q18-D22 PolarHBondContact O-N 2.84Å
19V87.9Confident85.3Confident99 Ų99103.6 Ų103.660%0.651%0.511SS*.Hα-helixtrans-57.1-37.7173.6173.10000111E15 D22 E23E15-V19 WeakPolarHBondContact O-CG2 3.43Å; E15-V19 PolarHBondContact O-N 3.44Å; V19-D22 PolarHBondContact O-N 3.05Å; V19-E23 VanDerWaalsContact O-CB 3.32Å; V19-E23 WeakPolarHBondContact O-CB 3.41Å; V19-E23 PolarHBondContact O-N 3.22Å
20T91.2Very high87.1Confident73 Ų7399.6 Ų99.645%0.44850%0.497SS..Hα-helixtrans-64.9-43.8174.3-57.70000112I16 Q18 I24I16-T20 VanDerWaalsContact O-CB 3.29Å; I16-T20 WeakPolarHBondContact O-CB 3.37Å; I16-T20 PolarHBondContact O-N 3.44Å; I16-T20 PolarHBondContact O-OG1 2.93Å; Q18-T20 PolarHBondContact O-N 3.48Å; T20-I24 HydrophobicContact CG2-CD1 3.92Å; T20-I24 WeakPolarHBondContact O-CB 3.43Å; T20-I24 WeakPolarHBondContact O-CD1 3.38Å; T20-I24 WeakPolarHBondContact O-CG1 3.19Å; T20-I24 PolarHBondContact O-N 3.32Å
21R91.5Very high88.5Confident127 Ų127103.1 Ų103.148%0.47949%0.49SS..Hα-helixtrans-62-45174.5-80.5177.3-89.5120.9-8.1111.8Q17 Q18 I24 E25Q17-R21 WeakPolarHBondContact O-CB 3.46Å; Q17-R21 WeakPolarHBondContact O-CG 3.44Å; Q17-R21 PolarHBondContact O-N 3.01Å; Q17-R21 PolarHBondContact O-NE 3Å; Q18-R21 WeakPolarHBondContact O-CA 3.29Å; Q18-R21 WeakPolarHBondContact O-CB 3.46Å; Q18-R21 PolarHBondContact O-N 3.13Å; R21-I24 PolarHBondContact O-N 2.92Å; R21-E25 WeakPolarHBondContact O-CB 3.42Å; R21-E25 PolarHBondContact O-N 2.97Å
22D93.3Very high89.8Confident92 Ų92102.5 Ų102.549%0.49248%0.481SS..Hα-helixtrans-69.7-37.2-177.4-66.9-26.2000112Q18 V19 E25 R26Q18-D22 WeakPolarHBondContact CG-OD2 3.4Å; Q18-D22 PolarHBondContact O-N 2.84Å; V19-D22 PolarHBondContact O-N 3.05Å; D22-E25 PolarHBondContact O-N 3.22Å; D22-R26 VanDerWaalsContact O-CB 3.27Å; D22-R26 WeakPolarHBondContact O-CB 3.32Å; D22-R26 PolarHBondContact O-N 3.16Å
23E91.7Very high90.8Very high62 Ų62104.1 Ų104.129%0.2949%0.485SS..Hα-helixtrans-71.3-36.4172.817461.7173.800112.3V19 E25 R26 R27V19-E23 VanDerWaalsContact O-CB 3.32Å; V19-E23 WeakPolarHBondContact O-CB 3.41Å; V19-E23 PolarHBondContact O-N 3.22Å; E23-E25 VanDerWaalsContact C-N 3.34Å; E23-R26 PolarHBondContact O-N 2.95Å; E23-R26 VanDerWaalsContact OE2-CD 3.28Å; E23-R26 WeakPolarHBondContact OE2-CD 3.32Å; E23-R26 IonicContact OE2-NE 2.69Å; E23-R27 WeakPolarHBondContact O-CB 3.27Å; E23-R27 VanDerWaalsContact O-CG 3.28Å; E23-R27 WeakPolarHBondContact O-CG 3.41Å; E23-R27 PolarHBondContact O-N 3.49Å; E23-R27 IonicContact OE1-CZ 3.3Å; E23-R27 IonicContact OE1-NE 3.7Å; E23-R27 PolarHBondContact OE1-NE 3.39Å; E23-R27 IonicContact OE1-NH2 2.68Å; E23-R27 PolarHBondContact OE1-NH2 2.88Å
24I94.5Very high91.6Very high101 Ų101104 Ų10452%0.51848%0.482SS..Hα-helixtrans-61-44.9171.5-74.7167.3000110.5T20 R21 R27 R28T20-I24 HydrophobicContact CG2-CD1 3.92Å; T20-I24 WeakPolarHBondContact O-CB 3.43Å; T20-I24 WeakPolarHBondContact O-CD1 3.38Å; T20-I24 WeakPolarHBondContact O-CG1 3.19Å; T20-I24 PolarHBondContact O-N 3.32Å; R21-I24 PolarHBondContact O-N 2.92Å; I24-R27 PolarHBondContact O-N 3.43Å; I24-R28 WeakPolarHBondContact O-CB 3.42Å; I24-R28 PolarHBondContact O-N 2.69Å
25E94Very high92.1Very high52 Ų52105 Ų10524%0.24348%0.484CS..Hα-helixtrans-70.5-37178.317856-15500112R21 D22 E23 R28 R29R21-E25 WeakPolarHBondContact O-CB 3.42Å; R21-E25 PolarHBondContact O-N 2.97Å; D22-E25 PolarHBondContact O-N 3.22Å; E23-E25 VanDerWaalsContact C-N 3.34Å; E25-R28 WeakPolarHBondContact O-CB 3.42Å; E25-R28 PolarHBondContact O-N 2.9Å; E25-R28 VanDerWaalsContact O-N 3.16Å; E25-R28 WeakPolarHBondContact OE2-CD 3.03Å; E25-R28 IonicContact OE2-CZ 3.86Å; E25-R28 IonicContact OE2-NE 3.9Å; E25-R28 IonicContact OE2-NH1 2.97Å; E25-R28 PolarHBondContact OE2-NH1 2.94Å; E25-R29 WeakPolarHBondContact O-CG 3.38Å; E25-R29 PolarHBondContact O-N 2.9Å; E25-R29 IonicContact OE1-CZ 3.75Å; E25-R29 IonicContact OE1-NE 2.91Å; E25-R29 PolarHBondContact OE1-NE 2.84Å; E25-R29 IonicContact OE1-NH2 3.95Å; E25-R29 PolarHBondContact OE1-NH2 3.33Å
26R95.6Very high92.7Very high158 Ų158107.8 Ų107.860%0.59649%0.491SS*.Hα-helixtrans-59-48.4169.1173.9174.4155.997.11.4111.5D22 E23 R28 R29 L30D22-R26 VanDerWaalsContact O-CB 3.27Å; D22-R26 WeakPolarHBondContact O-CB 3.32Å; D22-R26 PolarHBondContact O-N 3.16Å; E23-R26 PolarHBondContact O-N 2.95Å; E23-R26 VanDerWaalsContact OE2-CD 3.28Å; E23-R26 WeakPolarHBondContact OE2-CD 3.32Å; E23-R26 IonicContact OE2-NE 2.69Å; R26-R28 VanDerWaalsContact C-N 3.27Å; R26-R28 PolarHBondContact O-N 3.38Å; R26-R29 PolarHBondContact O-N 3.45Å; R26-L30 HydrophobicContact CG-CD1 4.32Å; R26-L30 WeakPolarHBondContact O-CG 3.44Å; R26-L30 PolarHBondContact O-N 3.09Å
27R95.2Very high93.2Very high143 Ų143107.6 Ų107.654%0.5449%0.489SS..Hα-helixtrans-63.6-30.5173.8-71.1177.6-170-171.38.3112.6E23 I24 R31E23-R27 WeakPolarHBondContact O-CB 3.27Å; E23-R27 VanDerWaalsContact O-CG 3.28Å; E23-R27 WeakPolarHBondContact O-CG 3.41Å; E23-R27 PolarHBondContact O-N 3.49Å; E23-R27 IonicContact OE1-CZ 3.3Å; E23-R27 IonicContact OE1-NE 3.7Å; E23-R27 PolarHBondContact OE1-NE 3.39Å; E23-R27 IonicContact OE1-NH2 2.68Å; E23-R27 PolarHBondContact OE1-NH2 2.88Å; I24-R27 PolarHBondContact O-N 3.43Å; R27-R31 WeakPolarHBondContact O-CB 3.38Å; R27-R31 VanDerWaalsContact O-CG 3.31Å; R27-R31 WeakPolarHBondContact O-CG 3.44Å; R27-R31 PolarHBondContact O-N 2.99Å; R27-R31 VanDerWaalsContact O-N 3.15Å; R27-R31 PolarHBondContact O-NE 3.24Å
28R95.3Very high93.5Very high143 Ų143108 Ų10854%0.5449%0.491SS..Hα-helixtrans-69.7-47.2174.1-167.2-163.7-168.2-1792.9111I24 E25 R26 R31 I32I24-R28 WeakPolarHBondContact O-CB 3.42Å; I24-R28 PolarHBondContact O-N 2.69Å; E25-R28 WeakPolarHBondContact O-CB 3.42Å; E25-R28 PolarHBondContact O-N 2.9Å; E25-R28 VanDerWaalsContact O-N 3.16Å; E25-R28 WeakPolarHBondContact OE2-CD 3.03Å; E25-R28 IonicContact OE2-CZ 3.86Å; E25-R28 IonicContact OE2-NE 3.9Å; E25-R28 IonicContact OE2-NH1 2.97Å; E25-R28 PolarHBondContact OE2-NH1 2.94Å; R26-R28 VanDerWaalsContact C-N 3.27Å; R26-R28 PolarHBondContact O-N 3.38Å; R28-R31 PolarHBondContact O-N 2.97Å; R28-I32 HydrophobicContact CG-CD1 4.08Å; R28-I32 VanDerWaalsContact O-CG1 3.31Å; R28-I32 WeakPolarHBondContact O-CG1 3.38Å; R28-I32 PolarHBondContact O-N 3.45Å
29R95.6Very high93.7Very high154 Ų154105.9 Ų105.958%0.58149%0.491SS*.Hα-helixtrans-59.9-45.2176.1-70.4172-170.3-175.16.7111.9E25 R26 I32 L33E25-R29 WeakPolarHBondContact O-CG 3.38Å; E25-R29 PolarHBondContact O-N 2.9Å; E25-R29 IonicContact OE1-CZ 3.75Å; E25-R29 IonicContact OE1-NE 2.91Å; E25-R29 PolarHBondContact OE1-NE 2.84Å; E25-R29 IonicContact OE1-NH2 3.95Å; E25-R29 PolarHBondContact OE1-NH2 3.33Å; R26-R29 PolarHBondContact O-N 3.45Å; R29-I32 PolarHBondContact O-N 2.8Å; R29-L33 WeakPolarHBondContact O-CG 3.31Å; R29-L33 PolarHBondContact O-N 3.13Å
30L94.5Very high94Very high86 Ų86108.6 Ų108.645%0.4550%0.495SS..Hα-helixtrans-60.9-45.3175.4-72.9170.7000112.2R26 I32 L33 Q34R26-L30 HydrophobicContact CG-CD1 4.32Å; R26-L30 WeakPolarHBondContact O-CG 3.44Å; R26-L30 PolarHBondContact O-N 3.09Å; L30-I32 PolarHBondContact O-N 3.1Å; L30-L33 PolarHBondContact O-N 3.37Å; L30-Q34 WeakPolarHBondContact O-CG 3.35Å; L30-Q34 PolarHBondContact O-N 3.35Å
31R93.5Very high94.2Very high140 Ų140113 Ų11353%0.52850%0.503SS..Hα-helixtrans-62.2-40.9174.6-76.5177.5-73178.5-1112.4R27 R28 L33 Q34 V35R27-R31 WeakPolarHBondContact O-CB 3.38Å; R27-R31 VanDerWaalsContact O-CG 3.31Å; R27-R31 WeakPolarHBondContact O-CG 3.44Å; R27-R31 PolarHBondContact O-N 2.99Å; R27-R31 VanDerWaalsContact O-N 3.15Å; R27-R31 PolarHBondContact O-NE 3.24Å; R28-R31 PolarHBondContact O-N 2.97Å; R31-L33 PolarHBondContact O-N 3.23Å; R31-Q34 PolarHBondContact O-N 2.67Å; R31-V35 WeakPolarHBondContact O-CB 3.28Å; R31-V35 WeakPolarHBondContact O-CG2 3.32Å; R31-V35 PolarHBondContact O-N 2.77Å
32I93.8Very high94.2Very high73 Ų73110.9 Ų110.937%0.37450%0.501SS..Hα-helixtrans-63.5-39.9175.1-70165.5000111.3R28 R29 L30 R36R28-I32 HydrophobicContact CG-CD1 4.08Å; R28-I32 VanDerWaalsContact O-CG1 3.31Å; R28-I32 WeakPolarHBondContact O-CG1 3.38Å; R28-I32 PolarHBondContact O-N 3.45Å; R29-I32 PolarHBondContact O-N 2.8Å; L30-I32 PolarHBondContact O-N 3.1Å; I32-R36 HydrophobicContact CG2-CG 4.47Å; I32-R36 WeakPolarHBondContact O-CB 3.28Å; I32-R36 VanDerWaalsContact O-CG 3.25Å; I32-R36 WeakPolarHBondContact O-CG 3.45Å; I32-R36 PolarHBondContact O-N 2.87Å
33L95Very high94.2Very high88 Ų88109.3 Ų109.346%0.46150%0.501SS..Hα-helixtrans-65.4-44.7174.9-74168.9000111.8R29 L30 R31 V35 R36 I37R29-L33 WeakPolarHBondContact O-CG 3.31Å; R29-L33 PolarHBondContact O-N 3.13Å; L30-L33 PolarHBondContact O-N 3.37Å; R31-L33 PolarHBondContact O-N 3.23Å; L33-V35 PolarHBondContact O-N 3.29Å; L33-R36 PolarHBondContact O-N 3.38Å; L33-I37 VanDerWaalsContact O-CG1 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.4Å; L33-I37 PolarHBondContact O-N 2.93Å
34Q95.1Very high94.3Very high127 Ų127111.3 Ų111.359%0.59351%0.513SS*.Hα-helixtrans-58.3-47.9174.4-73.4171.2-24.100111.6L30 R31 R36 I37 Q38L30-Q34 WeakPolarHBondContact O-CG 3.35Å; L30-Q34 PolarHBondContact O-N 3.35Å; R31-Q34 PolarHBondContact O-N 2.67Å; Q34-R36 PolarHBondContact O-N 3.47Å; Q34-I37 PolarHBondContact O-N 3.04Å; Q34-Q38 WeakPolarHBondContact O-CB 3.46Å; Q34-Q38 PolarHBondContact O-N 2.93Å
35V93.9Very high94.3Very high91 Ų91113.1 Ų113.155%0.55252%0.517SS*.Hα-helixtrans-62.6-40.2176.3170.80000111.6R31 L33 Q38 A39R31-V35 WeakPolarHBondContact O-CB 3.28Å; R31-V35 WeakPolarHBondContact O-CG2 3.32Å; R31-V35 PolarHBondContact O-N 2.77Å; L33-V35 PolarHBondContact O-N 3.29Å; V35-Q38 PolarHBondContact O-N 2.93Å; V35-A39 VanDerWaalsContact O-CB 3.25Å; V35-A39 WeakPolarHBondContact O-CB 3.39Å; V35-A39 PolarHBondContact O-N 3.03Å
36R95.1Very high94.2Very high164 Ų164115.3 Ų115.362%0.61953%0.534SS*.Hα-helixtrans-63.4-39.5174.2-76.6172.2176.8-175.7-0.6112.3I32 L33 Q34 K40I32-R36 HydrophobicContact CG2-CG 4.47Å; I32-R36 WeakPolarHBondContact O-CB 3.28Å; I32-R36 VanDerWaalsContact O-CG 3.25Å; I32-R36 WeakPolarHBondContact O-CG 3.45Å; I32-R36 PolarHBondContact O-N 2.87Å; L33-R36 PolarHBondContact O-N 3.38Å; Q34-R36 PolarHBondContact O-N 3.47Å; R36-K40 WeakPolarHBondContact O-CG 3.43Å; R36-K40 PolarHBondContact O-N 3.36Å
37I94.1Very high94.1Very high80 Ų80116.5 Ų116.541%0.4154%0.538SS..Hα-helixtrans-69.3-42.2176.6-68.9163.6000110.7L33 Q34 K40 R41L33-I37 VanDerWaalsContact O-CG1 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.4Å; L33-I37 PolarHBondContact O-N 2.93Å; Q34-I37 PolarHBondContact O-N 3.04Å; I37-K40 PolarHBondContact O-N 3.49Å; I37-R41 WeakPolarHBondContact O-CG 3.42Å; I37-R41 PolarHBondContact O-N 2.89Å
38Q94.2Very high94Very high116 Ų116115.7 Ų115.754%0.54254%0.542SS..Hα-helixtrans-63.2-43174.7-170.117810.900111.4Q34 V35 K40 R41 N42Q34-Q38 WeakPolarHBondContact O-CB 3.46Å; Q34-Q38 PolarHBondContact O-N 2.93Å; V35-Q38 PolarHBondContact O-N 2.93Å; Q38-K40 PolarHBondContact O-N 3.29Å; Q38-R41 PolarHBondContact O-N 2.85Å; Q38-N42 WeakPolarHBondContact O-CB 3.33Å; Q38-N42 PolarHBondContact O-N 3.38Å; Q38-N42 PolarHBondContact O-OD1 3.43Å
39A92.7Very high93.8Very high55 Ų55114.9 Ų114.946%0.45555%0.548SS..Hα-helixtrans-61.7-42.1174.200000112.2V35 N42 A43V35-A39 VanDerWaalsContact O-CB 3.25Å; V35-A39 WeakPolarHBondContact O-CB 3.39Å; V35-A39 PolarHBondContact O-N 3.03Å; A39-N42 PolarHBondContact O-N 3.16Å; A39-A43 WeakPolarHBondContact O-CB 3.49Å; A39-A43 PolarHBondContact O-N 3.3Å
40K95.3Very high93.7Very high155 Ų155115.2 Ų115.267%0.67455%0.55SS*.Hα-helixtrans-60.7-47.4172.4-78.2-176.2175.8-171.40112R36 I37 Q38 N42 A43 I44R36-K40 WeakPolarHBondContact O-CG 3.43Å; R36-K40 PolarHBondContact O-N 3.36Å; I37-K40 PolarHBondContact O-N 3.49Å; Q38-K40 PolarHBondContact O-N 3.29Å; K40-N42 VanDerWaalsContact C-N 3.35Å; K40-N42 PolarHBondContact O-N 3.41Å; K40-A43 PolarHBondContact O-N 2.84Å; K40-I44 WeakPolarHBondContact O-CG1 3.41Å; K40-I44 PolarHBondContact O-N 3.29Å
41R94.4Very high93.6Very high167 Ų167115.3 Ų115.363%0.6355%0.551SS**Hα-helixtrans-60.1-42.7176.4-72.5172178.6157.6-0.7111.8I37 Q38 I44 K45I37-R41 WeakPolarHBondContact O-CG 3.42Å; I37-R41 PolarHBondContact O-N 2.89Å; Q38-R41 PolarHBondContact O-N 2.85Å; R41-I44 PolarHBondContact O-N 3.36Å; R41-K45 WeakPolarHBondContact O-CG 3.25Å; R41-K45 PolarHBondContact O-N 3.05Å
42N92.6Very high93.6Very high82 Ų82111 Ų11144%0.43955%0.546SS..Hα-helixtrans-66.8-41.3177-70.5-1.5000111.8Q38 A39 K40 I44 K45 V46Q38-N42 WeakPolarHBondContact O-CB 3.33Å; Q38-N42 PolarHBondContact O-N 3.38Å; Q38-N42 PolarHBondContact O-OD1 3.43Å; A39-N42 PolarHBondContact O-N 3.16Å; K40-N42 VanDerWaalsContact C-N 3.35Å; K40-N42 PolarHBondContact O-N 3.41Å; N42-I44 VanDerWaalsContact C-N 3.34Å; N42-I44 PolarHBondContact O-N 2.87Å; N42-K45 PolarHBondContact O-N 2.71Å; N42-V46 WeakPolarHBondContact O-CG2 3.38Å; N42-V46 PolarHBondContact O-N 2.74Å
43A92.1Very high93.5Very high59 Ų59113.6 Ų113.649%0.48855%0.554SS.*Hα-helixtrans-64-37.1175.900000112.6A39 K40 R47A39-A43 WeakPolarHBondContact O-CB 3.49Å; A39-A43 PolarHBondContact O-N 3.3Å; K40-A43 PolarHBondContact O-N 2.84Å; A43-R47 WeakPolarHBondContact O-CB 3.43Å; A43-R47 PolarHBondContact O-N 2.97Å
44I94.7Very high93.4Very high104 Ų104114.8 Ų114.853%0.53356%0.556SS.*Hα-helixtrans-64.3-48.7172.3-67.9164.3000110.2K40 R41 N42 V46 R47 M48K40-I44 WeakPolarHBondContact O-CG1 3.41Å; K40-I44 PolarHBondContact O-N 3.29Å; R41-I44 PolarHBondContact O-N 3.36Å; N42-I44 VanDerWaalsContact C-N 3.34Å; N42-I44 PolarHBondContact O-N 2.87Å; I44-V46 VanDerWaalsContact C-N 3.35Å; I44-V46 PolarHBondContact O-N 2.91Å; I44-R47 PolarHBondContact O-N 3.17Å; I44-R47 VanDerWaalsContact O-N 3.15Å; I44-M48 HydrophobicContact CG2-CG 4.46Å; I44-M48 HydrophobicContact CG2-SD 4.07Å; I44-M48 WeakPolarHBondContact O-CG 3.31Å; I44-M48 PolarHBondContact O-N 2.77Å
45K94.4Very high93.2Very high138 Ų138113.5 Ų113.560%0.655%0.549SS*.Hα-helixtrans-56.2-45.9175.3-74-177175.1-168.90112.2R41 N42 R47 M48 L49R41-K45 WeakPolarHBondContact O-CG 3.25Å; R41-K45 PolarHBondContact O-N 3.05Å; N42-K45 PolarHBondContact O-N 2.71Å; K45-R47 PolarHBondContact O-N 3.01Å; K45-M48 PolarHBondContact O-N 2.91Å; K45-L49 WeakPolarHBondContact O-CB 3.32Å; K45-L49 WeakPolarHBondContact O-CG 3.46Å; K45-L49 PolarHBondContact O-N 3.49Å
46V91.5Very high93.1Very high99 Ų99113.6 Ų113.660%0.654%0.544SS*.Hα-helixtrans-63-40.7176.8170.50000111.6N42 I44 L49 Y50N42-V46 WeakPolarHBondContact O-CG2 3.38Å; N42-V46 PolarHBondContact O-N 2.74Å; I44-V46 VanDerWaalsContact C-N 3.35Å; I44-V46 PolarHBondContact O-N 2.91Å; V46-L49 PolarHBondContact O-N 2.97Å; V46-Y50 VanDerWaalsContact O-CB 3.31Å; V46-Y50 WeakPolarHBondContact O-CB 3.41Å; V46-Y50 PolarHBondContact O-N 3.38Å
47R92.5Very high92.9Very high182 Ų182109.5 Ų109.569%0.68753%0.534SS*.Hα-helixtrans-65-40.6175.4-172.8-178.5-69.6-170.5-2.9112.1A43 I44 K45 Y50 N51A43-R47 WeakPolarHBondContact O-CB 3.43Å; A43-R47 PolarHBondContact O-N 2.97Å; I44-R47 PolarHBondContact O-N 3.17Å; I44-R47 VanDerWaalsContact O-N 3.15Å; K45-R47 PolarHBondContact O-N 3.01Å; R47-Y50 PolarHBondContact O-N 3.36Å; R47-N51 WeakPolarHBondContact O-CB 3.39Å; R47-N51 VanDerWaalsContact O-CG 3.29Å; R47-N51 PolarHBondContact O-N 2.94Å
48M93.2Very high92.8Very high127 Ų127109.6 Ų109.663%0.62654%0.535SS*.Hα-helixtrans-64.6-46.6175.5-69.8177.473.400111.6I44 K45 Y50 N51 A52I44-M48 HydrophobicContact CG2-CG 4.46Å; I44-M48 HydrophobicContact CG2-SD 4.07Å; I44-M48 WeakPolarHBondContact O-CG 3.31Å; I44-M48 PolarHBondContact O-N 2.77Å; K45-M48 PolarHBondContact O-N 2.91Å; M48-Y50 VanDerWaalsContact C-N 3.34Å; M48-Y50 PolarHBondContact O-N 3.49Å; M48-N51 PolarHBondContact O-N 2.9Å; M48-A52 WeakPolarHBondContact O-CB 3.41Å; M48-A52 PolarHBondContact O-N 3.24Å
49L92.6Very high92.7Very high126 Ų126107.3 Ų107.366%0.6653%0.526SS*.Hα-helixtrans-63.2-38.5176.6-70.4169.7000112.3K45 V46 K53K45-L49 WeakPolarHBondContact O-CB 3.32Å; K45-L49 WeakPolarHBondContact O-CG 3.46Å; K45-L49 PolarHBondContact O-N 3.49Å; V46-L49 PolarHBondContact O-N 2.97Å; L49-K53 WeakPolarHBondContact O-CB 2.52Å; L49-K53 PolarHBondContact O-N 2.9Å
50Y92.8Very high92.8Very high160 Ų160105.7 Ų105.763%0.62751%0.51SS*.Hα-helixtrans-63.3-46173177.5-96.9000111.8V46 R47 M48 K53 K54V46-Y50 VanDerWaalsContact O-CB 3.31Å; V46-Y50 WeakPolarHBondContact O-CB 3.41Å; V46-Y50 PolarHBondContact O-N 3.38Å; R47-Y50 PolarHBondContact O-N 3.36Å; M48-Y50 VanDerWaalsContact C-N 3.34Å; M48-Y50 PolarHBondContact O-N 3.49Å; Y50-K53 PolarHBondContact O-N 3.15Å; Y50-K54 WeakPolarHBondContact O-CB 2.75Å; Y50-K54 PolarHBondContact O-N 3.28Å
51N92.3Very high92.6Very high89 Ų89101.8 Ų101.848%0.47650%0.496SS..Hα-helixtrans-64.9-41.5177.9-75-0.7000112R47 M48 K54 Q55R47-N51 WeakPolarHBondContact O-CB 3.39Å; R47-N51 VanDerWaalsContact O-CG 3.29Å; R47-N51 PolarHBondContact O-N 2.94Å; M48-N51 PolarHBondContact O-N 2.9Å; N51-K54 WeakPolarHBondContact O-CB 2.75Å; N51-K54 PolarHBondContact O-N 2.91Å; N51-Q55 PolarHBondContact O-N 3.28Å
52A93.1Very high92.4Very high50 Ų5096.5 Ų96.541%0.41349%0.489SS..Hα-helixtrans-61.9-4717500000111.6M48 K54 Q55 Q56M48-A52 WeakPolarHBondContact O-CB 3.41Å; M48-A52 PolarHBondContact O-N 3.24Å; A52-K54 VanDerWaalsContact C-N 3.3Å; A52-K54 PolarHBondContact O-N 3.04Å; A52-Q55 PolarHBondContact O-N 3.26Å; A52-Q55 VanDerWaalsContact O-N 3.15Å; A52-Q56 WeakPolarHBondContact O-CG 3.31Å; A52-Q56 PolarHBondContact O-N 3.47Å
53K92.7Very high92.5Very high126 Ų12698.8 Ų98.855%0.54849%0.494SS..Hα-helixtrans-64.2-33.6176-175168.1-177.2169.40112.8L49 Y50 L57 Y659L49-K53 WeakPolarHBondContact O-CB 2.52Å; L49-K53 PolarHBondContact O-N 2.9Å; Y50-K53 PolarHBondContact O-N 3.15Å; K53-L57 WeakPolarHBondContact O-CB 3.15Å; K53-L57 PolarHBondContact O-N 3.48Å; K53-Y659 PolarHBondContact O-OH 3.4Å
54K91.8Very high92.4Very high114 Ų11499.1 Ų99.150%0.49649%0.488SS..Hα-helixtrans-66.6-41.4172.2-174.8-164.1172.6-162.40111.3Y50 N51 A52 L57 L58Y50-K54 WeakPolarHBondContact O-CB 2.75Å; Y50-K54 PolarHBondContact O-N 3.28Å; N51-K54 WeakPolarHBondContact O-CB 2.75Å; N51-K54 PolarHBondContact O-N 2.91Å; A52-K54 VanDerWaalsContact C-N 3.3Å; A52-K54 PolarHBondContact O-N 3.04Å; K54-L57 WeakPolarHBondContact O-CB 3.36Å; K54-L57 PolarHBondContact O-N 3.42Å; K54-L58 WeakPolarHBondContact O-CG 3.36Å; K54-L58 PolarHBondContact O-N 2.91Å; K54-L58 VanDerWaalsContact O-N 3.07Å
55Q91.2Very high92.3Very high99 Ų9999.3 Ų99.346%0.46349%0.49SS..Hα-helixtrans-64.9-48.7177.2-17057.741.400110.7N51 A52 L57 L58 D59N51-Q55 PolarHBondContact O-N 3.28Å; A52-Q55 PolarHBondContact O-N 3.26Å; A52-Q55 VanDerWaalsContact O-N 3.15Å; Q55-L57 PolarHBondContact O-N 1.88Å; Q55-L57 VanDerWaalsContact O-N 3.16Å; Q55-L58 WeakPolarHBondContact O-CA 3.29Å; Q55-L58 WeakPolarHBondContact O-CB 2.99Å; Q55-L58 PolarHBondContact O-N 3.07Å; Q55-D59 PolarHBondContact NE2-OD1 2.91Å; Q55-D59 PolarHBondContact O-N 3.09Å
56Q92.7Very high92.1Very high94 Ų9497.1 Ų97.144%0.43948%0.482SS..Hα-helixtrans-55.7-35173.9-66.9172-25.900112.6A52 V60 Y659A52-Q56 WeakPolarHBondContact O-CG 3.31Å; A52-Q56 PolarHBondContact O-N 3.47Å; Q56-V60 WeakPolarHBondContact O-CB 3.14Å; Q56-V60 WeakPolarHBondContact O-CG2 3.44Å; Q56-V60 PolarHBondContact O-N 2.69Å; Q56-V60 VanDerWaalsContact O-N 3.15Å; Q56-Y659 HydrophobicContact CB-CD2 4.18Å; Q56-Y659 HydrophobicContact CB-CE2 3.57Å
57L90.4Very high92.1Very high78 Ų7897.4 Ų97.441%0.40847%0.472SS..Hα-helixtrans-65.2-41.5173.4-175.660.2000112.1K53 K54 Q55 I61 Y659K53-L57 WeakPolarHBondContact O-CB 3.15Å; K53-L57 PolarHBondContact O-N 3.48Å; K54-L57 WeakPolarHBondContact O-CB 3.36Å; K54-L57 PolarHBondContact O-N 3.42Å; Q55-L57 PolarHBondContact O-N 1.88Å; Q55-L57 VanDerWaalsContact O-N 3.16Å; L57-I61 HydrophobicContact CD1-CD1 4.05Å; L57-I61 HydrophobicContact CD1-CG1 4.45Å; L57-I61 HydrophobicContact CG-CD1 3.89Å; L57-I61 WeakPolarHBondContact O-CB 3.39Å; L57-I61 VanDerWaalsContact O-CG1 3.25Å; L57-I61 WeakPolarHBondContact O-CG1 3.45Å; L57-I61 PolarHBondContact O-N 3.48Å; L57-Y659 WeakPolarHBondContact CA-OH 3.41Å; L57-Y659 WeakPolarHBondContact CB-OH 3.25Å; L57-Y659 HydrophobicContact CD1-CE1 3.73Å; L57-Y659 PolarHBondContact N-OH 2.81Å
58L91.9Very high91.9Very high81 Ų8190.1 Ų90.142%0.42445%0.451SS..Hα-helixtrans-69.8-43.1178.1-67.6171000111.8K54 Q55 V60 I61 A62K54-L58 WeakPolarHBondContact O-CG 3.36Å; K54-L58 PolarHBondContact O-N 2.91Å; K54-L58 VanDerWaalsContact O-N 3.07Å; Q55-L58 WeakPolarHBondContact O-CA 3.29Å; Q55-L58 WeakPolarHBondContact O-CB 2.99Å; Q55-L58 PolarHBondContact O-N 3.07Å; L58-V60 PolarHBondContact O-N 2.86Å; L58-I61 PolarHBondContact O-N 2.85Å; L58-A62 WeakPolarHBondContact O-CB 3.46Å; L58-A62 PolarHBondContact O-N 3.37Å
59D93Very high91.8Very high69 Ų6992.4 Ų92.437%0.36945%0.452SS..Hα-helixtrans-61.3-31.4177.4-55.2-27.4000111.6Q55 K63Q55-D59 PolarHBondContact NE2-OD1 2.91Å; Q55-D59 PolarHBondContact O-N 3.09Å; D59-K63 WeakPolarHBondContact O-CG 3.43Å; D59-K63 PolarHBondContact O-N 3.27Å
60V93Very high91.8Very high20 Ų2090.7 Ų90.712%0.12144%0.441CS..Hα-helixtrans-80.6-45.8176.5170.50000110.6Q56 L58 A62 K63 D64 Y659 I661Q56-V60 WeakPolarHBondContact O-CB 3.14Å; Q56-V60 WeakPolarHBondContact O-CG2 3.44Å; Q56-V60 PolarHBondContact O-N 2.69Å; Q56-V60 VanDerWaalsContact O-N 3.15Å; L58-V60 PolarHBondContact O-N 2.86Å; V60-A62 PolarHBondContact O-N 3.34Å; V60-K63 CarbonylContact O-C 3.37Å; V60-K63 WeakPolarHBondContact O-CA 3.43Å; V60-K63 PolarHBondContact O-N 2.98Å; V60-D64 PolarHBondContact O-N 3.21Å; V60-Y659 HydrophobicContact CB-CD1 4.09Å; V60-Y659 HydrophobicContact CB-CG 4.16Å; V60-Y659 HydrophobicContact CG1-CD1 3.76Å; V60-Y659 HydrophobicContact CG1-CG 4.08Å; V60-Y659 VanDerWaalsContact CG2-CB 3.45Å; V60-Y659 HydrophobicContact CG2-CD1 4.01Å; V60-Y659 HydrophobicContact CG2-CD2 3.93Å; V60-Y659 HydrophobicContact CG2-CG 3.55Å; V60-I661 HydrophobicContact CB-CD1 4.48Å; V60-I661 HydrophobicContact CG1-CD1 3.69Å; V60-I661 HydrophobicContact CG1-CG1 3.75Å; V60-I661 WeakPolarHBondContact O-CD1 3.5Å
61I90.9Very high91.7Very high73 Ų7385.8 Ų85.837%0.37443%0.426SS..Hα-helixtrans-58.7-31.6173.3-70.2167000111.5L57 L58 D64 L65L57-I61 HydrophobicContact CD1-CD1 4.05Å; L57-I61 HydrophobicContact CD1-CG1 4.45Å; L57-I61 HydrophobicContact CG-CD1 3.89Å; L57-I61 WeakPolarHBondContact O-CB 3.39Å; L57-I61 VanDerWaalsContact O-CG1 3.25Å; L57-I61 WeakPolarHBondContact O-CG1 3.45Å; L57-I61 PolarHBondContact O-N 3.48Å; L58-I61 PolarHBondContact O-N 2.85Å; I61-D64 WeakPolarHBondContact O-CB 3.28Å; I61-D64 PolarHBondContact O-N 2.95Å; I61-L65 HydrophobicContact CG2-CD1 4.06Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.27Å; I61-L65 WeakPolarHBondContact O-CG 3.3Å; I61-L65 PolarHBondContact O-N 3.5Å
62A92.1Very high91.6Very high57 Ų5785.9 Ų85.947%0.47143%0.429SS..Hα-helixtrans-65.2-44.4170.300000112.2L58 V60 D64 L65 Q66L58-A62 WeakPolarHBondContact O-CB 3.46Å; L58-A62 PolarHBondContact O-N 3.37Å; V60-A62 PolarHBondContact O-N 3.34Å; A62-D64 VanDerWaalsContact C-N 3.34Å; A62-L65 PolarHBondContact O-N 2.81Å; A62-Q66 WeakPolarHBondContact O-CB 3.25Å; A62-Q66 PolarHBondContact O-N 3.11Å
63K93.7Very high91.5Very high129 Ų12991.1 Ų91.156%0.56144%0.443SS*.Hα-helixtrans-71.2-22.5175.7-70.8171.5-177.9-179.80113.9D59 V60 R67 I661D59-K63 WeakPolarHBondContact O-CG 3.43Å; D59-K63 PolarHBondContact O-N 3.27Å; V60-K63 CarbonylContact O-C 3.37Å; V60-K63 WeakPolarHBondContact O-CA 3.43Å; V60-K63 PolarHBondContact O-N 2.98Å; K63-R67 PolarHBondContact O-N 3.21Å; K63-R67 PolarHBondContact O-NE 2.89Å; K63-I661 HydrophobicContact CB-CD1 3.46Å; K63-I661 VanDerWaalsContact CB-CD1 3.46Å
64D90.8Very high91.5Very high66 Ų6690 Ų9035%0.35344%0.442SS..Hα-helixtrans-66.3-56166.7-93.2-61.7000109.7V60 I61 A62 Q66 R67 A68 I661V60-D64 PolarHBondContact O-N 3.21Å; I61-D64 WeakPolarHBondContact O-CB 3.28Å; I61-D64 PolarHBondContact O-N 2.95Å; A62-D64 VanDerWaalsContact C-N 3.34Å; D64-Q66 VanDerWaalsContact C-N 3.3Å; D64-Q66 PolarHBondContact O-N 2.88Å; D64-R67 PolarHBondContact O-N 3.37Å; D64-A68 WeakPolarHBondContact O-CB 3.46Å; D64-A68 PolarHBondContact O-N 2.78Å; D64-I661 HydrophobicContact CB-CG1 4.49Å; D64-I661 WeakPolarHBondContact OD1-CG2 3.34Å
65L90.9Very high91.4Very high109 Ų10990.3 Ų90.357%0.57145%0.448SS*.Hα-helixtrans-66.7-31.4-175.5-69.4169.9000112.5I61 A62 R69I61-L65 HydrophobicContact CG2-CD1 4.06Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.27Å; I61-L65 WeakPolarHBondContact O-CG 3.3Å; I61-L65 PolarHBondContact O-N 3.5Å; A62-L65 PolarHBondContact O-N 2.81Å; L65-R69 WeakPolarHBondContact O-CG 3.31Å; L65-R69 PolarHBondContact O-N 3.46Å; L65-R69 VanDerWaalsContact O-N 3.13Å
66Q91.5Very high91.4Very high91 Ų9190 Ų9043%0.42545%0.447SS..Hα-helixtrans-67.1-50.9173.5-175.958.724.600111.4A62 D64 A68 R69 E70A62-Q66 WeakPolarHBondContact O-CB 3.25Å; A62-Q66 PolarHBondContact O-N 3.11Å; D64-Q66 VanDerWaalsContact C-N 3.3Å; D64-Q66 PolarHBondContact O-N 2.88Å; Q66-A68 VanDerWaalsContact C-N 3.31Å; Q66-A68 PolarHBondContact O-N 2.97Å; Q66-R69 WeakPolarHBondContact O-CB 3.39Å; Q66-R69 PolarHBondContact O-N 3.26Å; Q66-E70 WeakPolarHBondContact CG-OE1 3.48Å; Q66-E70 PolarHBondContact NE2-OE1 2.96Å; Q66-E70 PolarHBondContact O-N 2.7Å; Q66-E70 VanDerWaalsContact O-N 3.08Å
67R91.5Very high91.3Very high105 Ų10588.2 Ų88.240%0.39645%0.449SS..Hα-helixtrans-62.1-37.7175-90.7-179.9-81.4-169.9-15.7112.7K63 D64 R69 E70 D71 I661K63-R67 PolarHBondContact O-N 3.21Å; K63-R67 PolarHBondContact O-NE 2.89Å; D64-R67 PolarHBondContact O-N 3.37Å; R67-R69 PolarHBondContact O-N 3.4Å; R67-E70 PolarHBondContact O-N 2.93Å; R67-E70 VanDerWaalsContact O-N 3.12Å; R67-D71 WeakPolarHBondContact O-CB 3.39Å; R67-D71 VanDerWaalsContact O-CG 3.29Å; R67-D71 PolarHBondContact O-N 2.9Å; R67-I661 VanDerWaalsContact CZ-CG2 3.44Å; R67-I661 PolarHBondContact NH1-O 2.73Å; R67-I661 VanDerWaalsContact NH2-CD1 3.26Å
68A87.9Confident91.5Very high30 Ų3090 Ų9025%0.24845%0.453CS..Hα-helixtrans-64.9-24.6174.600000113.5D64 Q66 V72D64-A68 WeakPolarHBondContact O-CB 3.46Å; D64-A68 PolarHBondContact O-N 2.78Å; Q66-A68 VanDerWaalsContact C-N 3.31Å; Q66-A68 PolarHBondContact O-N 2.97Å; A68-V72 VanDerWaalsContact O-CG2 3.24Å; A68-V72 WeakPolarHBondContact O-CG2 3.35Å; A68-V72 PolarHBondContact O-N 3.37Å
69R91Very high91.5Very high174 Ų17490.5 Ų90.566%0.65745%0.452SS*.Hα-helixtrans-77.1-37.8170.2-77.2170.3163.5-173-5.8112L65 Q66 R67 V72 K73L65-R69 WeakPolarHBondContact O-CG 3.31Å; L65-R69 PolarHBondContact O-N 3.46Å; L65-R69 VanDerWaalsContact O-N 3.13Å; Q66-R69 WeakPolarHBondContact O-CB 3.39Å; Q66-R69 PolarHBondContact O-N 3.26Å; R67-R69 PolarHBondContact O-N 3.4Å; R69-V72 PolarHBondContact O-N 3.27Å; R69-K73 WeakPolarHBondContact O-CG 3.41Å; R69-K73 PolarHBondContact O-N 2.84Å
70E92Very high91.4Very high91 Ų9191.1 Ų91.143%0.42546%0.455SS..Hα-helixtrans-67.1-44.5176-71.2152-172.400111.1Q66 R67 V72 K73 L74Q66-E70 WeakPolarHBondContact CG-OE1 3.48Å; Q66-E70 PolarHBondContact NE2-OE1 2.96Å; Q66-E70 PolarHBondContact O-N 2.7Å; Q66-E70 VanDerWaalsContact O-N 3.08Å; R67-E70 PolarHBondContact O-N 2.93Å; R67-E70 VanDerWaalsContact O-N 3.12Å; E70-V72 VanDerWaalsContact C-N 3.3Å; E70-V72 PolarHBondContact O-N 2.82Å; E70-K73 PolarHBondContact O-N 3.46Å; E70-L74 WeakPolarHBondContact O-CB 3.13Å; E70-L74 PolarHBondContact O-N 2.81Å
71D90.5Very high91.3Very high57 Ų5796 Ų9631%0.30548%0.476SS..Hα-helixtrans-53.2-44.5170.6-72.3-20000112R67 L74 L75 K663R67-D71 WeakPolarHBondContact O-CB 3.39Å; R67-D71 VanDerWaalsContact O-CG 3.29Å; R67-D71 PolarHBondContact O-N 2.9Å; D71-L74 PolarHBondContact O-N 3.12Å; D71-L75 WeakPolarHBondContact O-CB 3.27Å; D71-L75 PolarHBondContact O-N 2.76Å; D71-K663 WeakPolarHBondContact OD2-CB 3.47Å; D71-K663 WeakPolarHBondContact OD2-CD 3.32Å
72V90.9Very high91.3Very high90 Ų9099.3 Ų99.355%0.54549%0.485SS..Hα-helixtrans-70-39.9-179.6166.40000111.6A68 R69 E70 L75 E76A68-V72 VanDerWaalsContact O-CG2 3.24Å; A68-V72 WeakPolarHBondContact O-CG2 3.35Å; A68-V72 PolarHBondContact O-N 3.37Å; R69-V72 PolarHBondContact O-N 3.27Å; E70-V72 VanDerWaalsContact C-N 3.3Å; E70-V72 PolarHBondContact O-N 2.82Å; V72-L75 PolarHBondContact O-N 2.76Å; V72-E76 PolarHBondContact O-N 3.33Å
73K91.9Very high91.2Very high161 Ų16199.3 Ų99.370%0.748%0.481SS*.Hα-helixtrans-62.4-42.8173-75.5-176.3173.2-167.80111.9R69 E70 L75 E76 A77R69-K73 WeakPolarHBondContact O-CG 3.41Å; R69-K73 PolarHBondContact O-N 2.84Å; E70-K73 PolarHBondContact O-N 3.46Å; K73-L75 VanDerWaalsContact C-N 3.33Å; K73-E76 PolarHBondContact O-N 3.35Å; K73-A77 WeakPolarHBondContact O-CB 3.32Å; K73-A77 PolarHBondContact O-N 3.33Å
74L91.9Very high91.1Very high102 Ų10295.9 Ų95.953%0.53447%0.474SS..Hα-helixtrans-66.1-35.5177-178.961.1000111.9E70 D71 K78E70-L74 WeakPolarHBondContact O-CB 3.13Å; E70-L74 PolarHBondContact O-N 2.81Å; D71-L74 PolarHBondContact O-N 3.12Å; L74-K78 WeakPolarHBondContact O-CB 3.21Å; L74-K78 WeakPolarHBondContact O-CG 3.38Å; L74-K78 PolarHBondContact O-N 3.48Å
75L90.8Very high91Very high120 Ų12095.4 Ų95.463%0.62847%0.473SS*.Hα-helixtrans-69.5-40.9175.6-175.961.9000112.1D71 V72 K73 K78 K79D71-L75 WeakPolarHBondContact O-CB 3.27Å; D71-L75 PolarHBondContact O-N 2.76Å; V72-L75 PolarHBondContact O-N 2.76Å; K73-L75 VanDerWaalsContact C-N 3.33Å; L75-K78 PolarHBondContact O-N 3.24Å; L75-K79 WeakPolarHBondContact O-CB 3.39Å; L75-K79 PolarHBondContact O-N 3.47Å
76E89.6Confident90.7Very high93 Ų9394.5 Ų94.544%0.43547%0.467SS..Hα-helixtrans-66.8-44.4176.6-157.268.3-172.800110.7V72 K73 K78 K79 D80V72-E76 PolarHBondContact O-N 3.33Å; K73-E76 PolarHBondContact O-N 3.35Å; E76-K78 VanDerWaalsContact C-N 3.32Å; E76-K78 PolarHBondContact O-N 3.47Å; E76-K79 CarbonylContact O-C 3.54Å; E76-K79 WeakPolarHBondContact O-CA 3.47Å; E76-K79 WeakPolarHBondContact O-CB 3.46Å; E76-K79 PolarHBondContact O-N 2.99Å; E76-K79 WeakPolarHBondContact OE1-CE 3.44Å; E76-K79 IonicContact OE1-NZ 3.1Å; E76-K79 PolarHBondContact OE1-NZ 2.88Å; E76-D80 VanDerWaalsContact O-CG 3.27Å; E76-D80 PolarHBondContact O-N 2.68Å
77A92Very high90.5Very high57 Ų5794.8 Ų94.847%0.47147%0.471SS..Hα-helixtrans-58.2-41.2173.900000112.6K73 D80 E81K73-A77 WeakPolarHBondContact O-CB 3.32Å; K73-A77 PolarHBondContact O-N 3.33Å; A77-D80 PolarHBondContact O-N 3.4Å; A77-E81 WeakPolarHBondContact O-CB 3.49Å; A77-E81 PolarHBondContact O-N 3.47Å
78K93.1Very high90.1Very high116 Ų11695.3 Ų95.350%0.50448%0.478SS..Hα-helixtrans-71-28.7174.4-77.1-171.6173.1-165.20113.9L74 L75 E76 Y82L74-K78 WeakPolarHBondContact O-CB 3.21Å; L74-K78 WeakPolarHBondContact O-CG 3.38Å; L74-K78 PolarHBondContact O-N 3.48Å; L75-K78 PolarHBondContact O-N 3.24Å; E76-K78 VanDerWaalsContact C-N 3.32Å; E76-K78 PolarHBondContact O-N 3.47Å; K78-Y82 VanDerWaalsContact O-CB 3.28Å; K78-Y82 WeakPolarHBondContact O-CB 3.44Å; K78-Y82 PolarHBondContact O-N 3.31Å
79K92Very high89.8Confident91 Ų91101.4 Ų101.440%0.39650%0.496SS..Hα-helixtrans-67.6-42.8170.6163.3-174.1147.9-79.80110L75 E76 Y82 C83L75-K79 WeakPolarHBondContact O-CB 3.39Å; L75-K79 PolarHBondContact O-N 3.47Å; E76-K79 CarbonylContact O-C 3.54Å; E76-K79 WeakPolarHBondContact O-CA 3.47Å; E76-K79 WeakPolarHBondContact O-CB 3.46Å; E76-K79 PolarHBondContact O-N 2.99Å; E76-K79 WeakPolarHBondContact OE1-CE 3.44Å; E76-K79 IonicContact OE1-NZ 3.1Å; E76-K79 PolarHBondContact OE1-NZ 2.88Å; K79-Y82 PolarHBondContact O-N 2.83Å; K79-C83 WeakPolarHBondContact O-CB 3.38Å; K79-C83 PolarHBondContact O-N 3.49Å; K79-C83 PolarHBondContact O-SG 2.86Å
80D91.3Very high89.3Confident82 Ų8294.1 Ų94.144%0.43947%0.474SS..Hα-helixtrans-72.7-35.7-179.5-60.2-20.8000111.2E76 A77 C83 S84E76-D80 VanDerWaalsContact O-CG 3.27Å; E76-D80 PolarHBondContact O-N 2.68Å; A77-D80 PolarHBondContact O-N 3.4Å; D80-C83 PolarHBondContact O-N 2.88Å; D80-S84 WeakPolarHBondContact O-CB 3.41Å; D80-S84 PolarHBondContact O-N 2.66Å
81E91.2Very high88.7Confident121 Ų12194.2 Ų94.257%0.56548%0.477SS*.Hα-helixtrans-57.6-50.3165.8-176.4-173.5-172.400111.3A77 C83 S84 V85A77-E81 WeakPolarHBondContact O-CB 3.49Å; A77-E81 PolarHBondContact O-N 3.47Å; E81-C83 PolarHBondContact O-N 3.28Å; E81-S84 WeakPolarHBondContact O-CB 3.45Å; E81-S84 PolarHBondContact O-N 2.69Å; E81-V85 WeakPolarHBondContact O-CG2 3.32Å; E81-V85 PolarHBondContact O-N 3.23Å
82Y90.6Very high88Confident144 Ų14493.6 Ų93.657%0.56548%0.484SS*.Hα-helixtrans-61.4-40.8176.1177.1-96.2000112.3K78 K79 V85 M86K78-Y82 VanDerWaalsContact O-CB 3.28Å; K78-Y82 WeakPolarHBondContact O-CB 3.44Å; K78-Y82 PolarHBondContact O-N 3.31Å; K79-Y82 PolarHBondContact O-N 2.83Å; Y82-V85 PolarHBondContact O-N 2.8Å; Y82-M86 HydrophobicContact CD1-CG 4.03Å; Y82-M86 HydrophobicContact CD2-CG 4.35Å; Y82-M86 HydrophobicContact CE1-CG 3.59Å; Y82-M86 HydrophobicContact CE2-CG 3.94Å; Y82-M86 HydrophobicContact CE2-SD 4.24Å; Y82-M86 HydrophobicContact CG-CG 4.39Å; Y82-M86 VanDerWaalsContact O-CB 3.31Å; Y82-M86 WeakPolarHBondContact O-CB 3.34Å; Y82-M86 VanDerWaalsContact O-CG 3.27Å; Y82-M86 WeakPolarHBondContact O-CG 3.38Å; Y82-M86 PolarHBondContact O-N 2.87Å
83C90.3Very high87.3Confident57 Ų5796 Ų9639%0.38549%0.489SS..Hα-helixtrans-64.6-39174.1-74.20000111.9K79 D80 E81 N87K79-C83 WeakPolarHBondContact O-CB 3.38Å; K79-C83 PolarHBondContact O-N 3.49Å; K79-C83 PolarHBondContact O-SG 2.86Å; D80-C83 PolarHBondContact O-N 2.88Å; E81-C83 PolarHBondContact O-N 3.28Å; C83-N87 VanDerWaalsContact O-CB 3.25Å; C83-N87 WeakPolarHBondContact O-CB 3.41Å; C83-N87 PolarHBondContact O-N 3.27Å; C83-N87 PolarHBondContact O-ND2 3.37Å
84S90.7Very high86.5Confident57 Ų5794.7 Ų94.740%0.39948%0.48SS..Hα-helixtrans-63.1-47.1173.4-177.70000111.4D80 E81 N87 Q88D80-S84 WeakPolarHBondContact O-CB 3.41Å; D80-S84 PolarHBondContact O-N 2.66Å; E81-S84 WeakPolarHBondContact O-CB 3.45Å; E81-S84 PolarHBondContact O-N 2.69Å; S84-N87 CarbonylContact O-C 3.01Å; S84-N87 PolarHBondContact O-N 3.46Å; S84-Q88 WeakPolarHBondContact O-CG 3.42Å; S84-Q88 PolarHBondContact O-N 2.98Å; S84-Q88 PolarHBondContact OG-NE2 3.39Å; S84-Q88 VanDerWaalsContact OG-NE2 3.17Å
85V89Confident85.5Confident56 Ų5692.4 Ų92.434%0.33947%0.472SS..Hα-helixtrans-63.8-42.7177168.90000111.6E81 Y82 N87 Q88 Y89E81-V85 WeakPolarHBondContact O-CG2 3.32Å; E81-V85 PolarHBondContact O-N 3.23Å; Y82-V85 PolarHBondContact O-N 2.8Å; V85-N87 VanDerWaalsContact C-N 3.34Å; V85-Q88 PolarHBondContact O-N 2.95Å; V85-Y89 HydrophobicContact CG1-CD2 3.76Å; V85-Y89 HydrophobicContact CG1-CE2 3.4Å; V85-Y89 VanDerWaalsContact CG1-CE2 3.4Å; V85-Y89 WeakPolarHBondContact O-CD2 3.5Å; V85-Y89 PolarHBondContact O-N 3.46Å
86M85.7Confident84.4Confident90 Ų9089.6 Ų89.644%0.44347%0.466SS..Hα-helixtrans-66-35.1174-74.4-59.6-6200112.4Y82 G90Y82-M86 HydrophobicContact CD1-CG 4.03Å; Y82-M86 HydrophobicContact CD2-CG 4.35Å; Y82-M86 HydrophobicContact CE1-CG 3.59Å; Y82-M86 HydrophobicContact CE2-CG 3.94Å; Y82-M86 HydrophobicContact CE2-SD 4.24Å; Y82-M86 HydrophobicContact CG-CG 4.39Å; Y82-M86 VanDerWaalsContact O-CB 3.31Å; Y82-M86 WeakPolarHBondContact O-CB 3.34Å; Y82-M86 VanDerWaalsContact O-CG 3.27Å; Y82-M86 WeakPolarHBondContact O-CG 3.38Å; Y82-M86 PolarHBondContact O-N 2.87Å; M86-G90 PolarHBondContact O-N 3.27Å
87N86.1Confident83.2Confident96 Ų9692.5 Ų92.551%0.51348%0.48SS..Hα-helixtrans-67.9-36.7171.9-79.1-24000111.7C83 S84 V85 G90 I91C83-N87 VanDerWaalsContact O-CB 3.25Å; C83-N87 WeakPolarHBondContact O-CB 3.41Å; C83-N87 PolarHBondContact O-N 3.27Å; C83-N87 PolarHBondContact O-ND2 3.37Å; S84-N87 CarbonylContact O-C 3.01Å; S84-N87 PolarHBondContact O-N 3.46Å; V85-N87 VanDerWaalsContact C-N 3.34Å; N87-G90 CarbonylContact O-C 3.49Å; N87-G90 WeakPolarHBondContact O-CA 3.28Å; N87-G90 PolarHBondContact O-N 3.28Å; N87-I91 VanDerWaalsContact O-CG1 3.29Å; N87-I91 WeakPolarHBondContact O-CG1 3.31Å; N87-I91 PolarHBondContact O-N 3.5Å
88Q84.2Confident81.8Confident117 Ų11795.7 Ų95.755%0.54749%0.489SS..Hα-helixtrans-67.7-42.1174.1-72.3171.252.300112S84 V85 G90 I91 G92S84-Q88 WeakPolarHBondContact O-CG 3.42Å; S84-Q88 PolarHBondContact O-N 2.98Å; S84-Q88 PolarHBondContact OG-NE2 3.39Å; S84-Q88 VanDerWaalsContact OG-NE2 3.17Å; V85-Q88 PolarHBondContact O-N 2.95Å; Q88-G90 VanDerWaalsContact C-N 3.31Å; Q88-G90 PolarHBondContact O-N 3.42Å; Q88-I91 WeakPolarHBondContact O-CB 3.41Å; Q88-I91 PolarHBondContact O-N 3.3Å; Q88-G92 PolarHBondContact O-N 2.85Å
89Y81.5Confident80Confident158 Ų158100.2 Ų100.262%0.6250%0.503SS*.Hα-helixtrans-63.9-37.1169.1-72.2-57.8000111.9V85 I91 G92 H93V85-Y89 HydrophobicContact CG1-CD2 3.76Å; V85-Y89 HydrophobicContact CG1-CE2 3.4Å; V85-Y89 VanDerWaalsContact CG1-CE2 3.4Å; V85-Y89 WeakPolarHBondContact O-CD2 3.5Å; V85-Y89 PolarHBondContact O-N 3.46Å; Y89-I91 VanDerWaalsContact C-N 3.31Å; Y89-I91 PolarHBondContact O-N 3.39Å; Y89-G92 CarbonylContact O-C 3.59Å; Y89-G92 WeakPolarHBondContact O-CA 3.42Å; Y89-G92 PolarHBondContact O-N 2.84Å; Y89-G92 VanDerWaalsContact O-N 3.15Å; Y89-H93 PolarHBondContact O-CD2 3.19Å; Y89-H93 VanDerWaalsContact O-CD2 3.31Å; Y89-H93 PolarHBondContact O-N 3.33Å
90G80.7Confident78.1Confident20 Ų2099.1 Ų99.121%0.20651%0.507CS..Hα-helixtrans-68.4-24.9172.800000113.9M86 N87 Q88 R94M86-G90 PolarHBondContact O-N 3.27Å; N87-G90 CarbonylContact O-C 3.49Å; N87-G90 WeakPolarHBondContact O-CA 3.28Å; N87-G90 PolarHBondContact O-N 3.28Å; Q88-G90 VanDerWaalsContact C-N 3.31Å; Q88-G90 PolarHBondContact O-N 3.42Å; G90-R94 WeakPolarHBondContact O-CB 3.44Å; G90-R94 WeakPolarHBondContact O-CG 3.09Å; G90-R94 PolarHBondContact O-N 2.88Å; G90-R94 PolarHBondContact O-NE 2.93Å
91I79.1Confident76.6Confident93 Ų9399.3 Ų99.348%0.47751%0.508SS..Hα-helixtrans-73.9-44.7166.1-71.4161000108.5N87 Q88 Y89 H93 R94 S95N87-I91 VanDerWaalsContact O-CG1 3.29Å; N87-I91 WeakPolarHBondContact O-CG1 3.31Å; N87-I91 PolarHBondContact O-N 3.5Å; Q88-I91 WeakPolarHBondContact O-CB 3.41Å; Q88-I91 PolarHBondContact O-N 3.3Å; Y89-I91 VanDerWaalsContact C-N 3.31Å; Y89-I91 PolarHBondContact O-N 3.39Å; I91-H93 VanDerWaalsContact C-N 3.28Å; I91-H93 PolarHBondContact O-N 3.37Å; I91-R94 PolarHBondContact O-N 3.31Å; I91-S95 WeakPolarHBondContact O-CA 3.31Å; I91-S95 WeakPolarHBondContact O-CB 3.19Å; I91-S95 PolarHBondContact O-N 3.44Å; I91-S95 PolarHBondContact O-OG 2.8Å; I91-S95 VanDerWaalsContact O-OG 3.06Å
92G76Confident75.6Confident44 Ų4498.1 Ų98.145%0.45451%0.511SS..Hα-helixtrans-54.2-41.9172.100000113.3Q88 Y89 A96Q88-G92 PolarHBondContact O-N 2.85Å; Y89-G92 CarbonylContact O-C 3.59Å; Y89-G92 WeakPolarHBondContact O-CA 3.42Å; Y89-G92 PolarHBondContact O-N 2.84Å; Y89-G92 VanDerWaalsContact O-N 3.15Å; G92-A96 VanDerWaalsContact O-CB 3.28Å; G92-A96 WeakPolarHBondContact O-CB 3.45Å; G92-A96 PolarHBondContact O-N 2.8Å
93H75.6Confident74.7Confident141 Ų14195.9 Ų95.965%0.65351%0.512SS*.Hα-helixtrans-69.7-48.6174.3-83.5-73.5000113.1Y89 I91 S95 A96 E97Y89-H93 PolarHBondContact O-CD2 3.19Å; Y89-H93 VanDerWaalsContact O-CD2 3.31Å; Y89-H93 PolarHBondContact O-N 3.33Å; I91-H93 VanDerWaalsContact C-N 3.28Å; I91-H93 PolarHBondContact O-N 3.37Å; H93-S95 VanDerWaalsContact C-N 3.29Å; H93-S95 PolarHBondContact O-N 3.29Å; H93-A96 CarbonylContact O-C 3.56Å; H93-A96 WeakPolarHBondContact O-CA 3.08Å; H93-A96 PolarHBondContact O-N 2.9Å; H93-E97 WeakPolarHBondContact O-CB 3.08Å; H93-E97 PolarHBondContact O-N 2.8Å
94R75.9Confident73.9Confident134 Ų13498.7 Ų98.751%0.50652%0.523SS..Hα-helixtrans-65.9-31.2176.7-77.8173.9-72.8-160.10.3112.7G90 I91 E97 N98G90-R94 WeakPolarHBondContact O-CB 3.44Å; G90-R94 WeakPolarHBondContact O-CG 3.09Å; G90-R94 PolarHBondContact O-N 2.88Å; G90-R94 PolarHBondContact O-NE 2.93Å; I91-R94 PolarHBondContact O-N 3.31Å; R94-E97 PolarHBondContact O-N 2.89Å; R94-N98 WeakPolarHBondContact O-CB 3.07Å; R94-N98 PolarHBondContact O-N 2.88Å; R94-N98 PolarHBondContact O-ND2 3.18Å; R94-N98 PolarHBondContact O-OD1 3.09Å
95S71.3Confident73.1Confident53 Ų5399.2 Ų99.237%0.37152%0.519SS..Hα-helixtrans-70.2-34.5169.7-690000111.6I91 H93 N98 W99I91-S95 WeakPolarHBondContact O-CA 3.31Å; I91-S95 WeakPolarHBondContact O-CB 3.19Å; I91-S95 PolarHBondContact O-N 3.44Å; I91-S95 PolarHBondContact O-OG 2.8Å; I91-S95 VanDerWaalsContact O-OG 3.06Å; H93-S95 VanDerWaalsContact C-N 3.29Å; H93-S95 PolarHBondContact O-N 3.29Å; S95-N98 CarbonylContact O-C 3.58Å; S95-W99 WeakPolarHBondContact O-CA 3.1Å; S95-W99 WeakPolarHBondContact O-CB 3.46Å; S95-W99 PolarHBondContact O-N 2.78Å
96A65.8Low72.5Confident61 Ų61100.6 Ų100.650%0.50453%0.528SS..Hα-helixtrans-75.8-25.6173.500000113.3G92 H93G92-A96 VanDerWaalsContact O-CB 3.28Å; G92-A96 WeakPolarHBondContact O-CB 3.45Å; G92-A96 PolarHBondContact O-N 2.8Å; H93-A96 CarbonylContact O-C 3.56Å; H93-A96 WeakPolarHBondContact O-CA 3.08Å; H93-A96 PolarHBondContact O-N 2.9Å
97E66Low72.3Confident154 Ų154104 Ų10472%0.7254%0.536SS*.Hα-helixtrans-76.9-35.5171.3-169.9167.1-149.800111H93 R94H93-E97 WeakPolarHBondContact O-CB 3.08Å; H93-E97 PolarHBondContact O-N 2.8Å; R94-E97 PolarHBondContact O-N 2.89Å
98N61.2Low72Confident124 Ų124107 Ų10766%0.66354%0.541SS*.SBendtrans-85-3.7169.1-66-7.5000113.6R94 S95 S100R94-N98 WeakPolarHBondContact O-CB 3.07Å; R94-N98 PolarHBondContact O-N 2.88Å; R94-N98 PolarHBondContact O-ND2 3.18Å; R94-N98 PolarHBondContact O-OD1 3.09Å; S95-N98 CarbonylContact O-C 3.58Å; N98-S100 PolarHBondContact O-N 3.16Å
99W55.7Low72.1Confident211 Ų211106.3 Ų106.380%0.79954%0.536SS*.SBendtrans-75.588.4168-94.127.5000105.1S95 D101S95-W99 WeakPolarHBondContact O-CA 3.1Å; S95-W99 WeakPolarHBondContact O-CB 3.46Å; S95-W99 PolarHBondContact O-N 2.78Å; W99-D101 PolarHBondContact O-N 3.3Å
100S53.4Low72.4Confident68 Ų68104 Ų10448%0.47653%0.534SS..  trans-47.1106.6-178.3-47.30000109.4N98 P102N98-S100 PolarHBondContact O-N 3.16Å; S100-P102 VanDerWaalsContact O-N 3.11Å
101D59.5Low72.8Confident87 Ų87105.9 Ų105.947%0.46554%0.544SS..  trans-47.6124.8171.3175-36.2000106.1W99 T103 L104 E105W99-D101 PolarHBondContact O-N 3.3Å; D101-T103 VanDerWaalsContact CG-OG1 3.26Å; D101-T103 PolarHBondContact O-N 3.3Å; D101-T103 WeakPolarHBondContact OD1-CA 3.21Å; D101-T103 WeakPolarHBondContact OD1-CB 3.36Å; D101-T103 PolarHBondContact OD1-N 3.2Å; D101-T103 PolarHBondContact OD1-OG1 2.76Å; D101-L104 HydrophobicContact CB-CB 3.97Å; D101-L104 CarbonylContact O-C 3.5Å; D101-L104 WeakPolarHBondContact O-CA 3.48Å; D101-L104 WeakPolarHBondContact O-CB 3.23Å; D101-L104 PolarHBondContact O-N 2.77Å; D101-E105 PolarHBondContact O-N 2.64Å
102P68.7Low73.3Confident96 Ų96103.9 Ų103.962%0.62354%0.536SS*.Hα-helixtrans-59.3-19.9-173.121.5-32.4000112.4S100 T106S100-P102 VanDerWaalsContact O-N 3.11Å; P102-T106 VanDerWaalsContact O-CB 3.3Å; P102-T106 WeakPolarHBondContact O-CB 3.31Å; P102-T106 VanDerWaalsContact O-CG2 3.22Å; P102-T106 WeakPolarHBondContact O-CG2 3.36Å; P102-T106 PolarHBondContact O-N 2.9Å; P102-T106 VanDerWaalsContact O-N 3.07Å; P102-T106 PolarHBondContact O-OG1 2.93Å
103T71.9Confident73.8Confident97 Ų97103.9 Ų103.960%0.59553%0.532SS*.Hα-helixtrans-76.6-36.4169.6710000113.1D101 T106 Y107D101-T103 VanDerWaalsContact CG-OG1 3.26Å; D101-T103 PolarHBondContact O-N 3.3Å; D101-T103 WeakPolarHBondContact OD1-CA 3.21Å; D101-T103 WeakPolarHBondContact OD1-CB 3.36Å; D101-T103 PolarHBondContact OD1-N 3.2Å; D101-T103 PolarHBondContact OD1-OG1 2.76Å; T103-T106 WeakPolarHBondContact CA-OG1 3.11Å; T103-T106 PolarHBondContact O-OG1 2.91Å; T103-Y107 VanDerWaalsContact O-CB 3.26Å; T103-Y107 WeakPolarHBondContact O-CB 3.22Å; T103-Y107 PolarHBondContact O-N 3.06Å
104L74.2Confident74.5Confident116 Ų116103.5 Ų103.561%0.60753%0.53SS*.Hα-helixtrans-75.3-37.2174.5-158.887.4000111.9D101 Y107 W108D101-L104 HydrophobicContact CB-CB 3.97Å; D101-L104 CarbonylContact O-C 3.5Å; D101-L104 WeakPolarHBondContact O-CA 3.48Å; D101-L104 WeakPolarHBondContact O-CB 3.23Å; D101-L104 PolarHBondContact O-N 2.77Å; L104-Y107 PolarHBondContact O-N 2.73Å; L104-W108 WeakPolarHBondContact O-CB 3.43Å; L104-W108 PolarHBondContact O-N 3.26Å
105E73.5Confident75.3Confident67 Ų67103.7 Ų103.731%0.31354%0.535SS..Hα-helixtrans-70.4-39.1175.8-149.5-150.8-176.200111.4D101 W108 K109D101-E105 PolarHBondContact O-N 2.64Å; E105-W108 PolarHBondContact O-N 3.25Å; E105-K109 HydrophobicContact CG-CD 4.44Å; E105-K109 VanDerWaalsContact O-CB 3.31Å; E105-K109 WeakPolarHBondContact O-CB 3.35Å; E105-K109 VanDerWaalsContact O-CG 3.26Å; E105-K109 WeakPolarHBondContact O-CG 3.19Å; E105-K109 PolarHBondContact O-N 3.05Å; E105-K109 WeakPolarHBondContact OE1-CE 3.41Å; E105-K109 IonicContact OE1-NZ 2.93Å; E105-K109 PolarHBondContact OE1-NZ 3.47Å; E105-K109 IonicContact OE2-NZ 3.37Å; E105-K109 PolarHBondContact OE2-NZ 3.07Å
106T76.7Confident76.2Confident86 Ų86106.3 Ų106.353%0.52854%0.541SS..Hα-helixtrans-68.9-33.3170.750.80000112P102 T103 L110P102-T106 VanDerWaalsContact O-CB 3.3Å; P102-T106 WeakPolarHBondContact O-CB 3.31Å; P102-T106 VanDerWaalsContact O-CG2 3.22Å; P102-T106 WeakPolarHBondContact O-CG2 3.36Å; P102-T106 PolarHBondContact O-N 2.9Å; P102-T106 VanDerWaalsContact O-N 3.07Å; P102-T106 PolarHBondContact O-OG1 2.93Å; T103-T106 WeakPolarHBondContact CA-OG1 3.11Å; T103-T106 PolarHBondContact O-OG1 2.91Å; T106-L110 WeakPolarHBondContact O-CB 3.46Å; T106-L110 PolarHBondContact O-N 2.85Å
107Y80.9Confident77.4Confident160 Ų160105.7 Ų105.763%0.62754%0.536SS*.Hα-helixtrans-64.1-43.1170.4-179-97.8000112.3T103 L104 L110 S111T103-Y107 VanDerWaalsContact O-CB 3.26Å; T103-Y107 WeakPolarHBondContact O-CB 3.22Å; T103-Y107 PolarHBondContact O-N 3.06Å; L104-Y107 PolarHBondContact O-N 2.73Å; Y107-L110 PolarHBondContact O-N 2.9Å; Y107-S111 WeakPolarHBondContact O-CB 3.46Å; Y107-S111 PolarHBondContact O-N 2.65Å
108W80.8Confident78.7Confident161 Ų161102.8 Ų102.861%0.6152%0.522SS*.Hα-helixtrans-65.2-47.7175.1179.173.2000111.7L104 E105 L110 S111 V112L104-W108 WeakPolarHBondContact O-CB 3.43Å; L104-W108 PolarHBondContact O-N 3.26Å; E105-W108 PolarHBondContact O-N 3.25Å; W108-L110 VanDerWaalsContact C-N 3.29Å; W108-L110 PolarHBondContact O-N 3.21Å; W108-S111 WeakPolarHBondContact O-CB 3.48Å; W108-S111 PolarHBondContact O-N 2.79Å; W108-S111 VanDerWaalsContact O-N 3.13Å; W108-V112 HydrophobicContact CD2-CG2 4.21Å; W108-V112 HydrophobicContact CZ2-CG2 4.04Å; W108-V112 WeakPolarHBondContact O-CG2 3.31Å; W108-V112 PolarHBondContact O-N 2.82Å
109K86.4Confident80.2Confident101 Ų10199.8 Ų99.844%0.43951%0.507SS..Hα-helixtrans-60-37.8174.6-73.5169179.7169.80111.9E105 A113E105-K109 HydrophobicContact CG-CD 4.44Å; E105-K109 VanDerWaalsContact O-CB 3.31Å; E105-K109 WeakPolarHBondContact O-CB 3.35Å; E105-K109 VanDerWaalsContact O-CG 3.26Å; E105-K109 WeakPolarHBondContact O-CG 3.19Å; E105-K109 PolarHBondContact O-N 3.05Å; E105-K109 WeakPolarHBondContact OE1-CE 3.41Å; E105-K109 IonicContact OE1-NZ 2.93Å; E105-K109 PolarHBondContact OE1-NZ 3.47Å; E105-K109 IonicContact OE2-NZ 3.37Å; E105-K109 PolarHBondContact OE2-NZ 3.07Å; K109-A113 WeakPolarHBondContact O-CB 3.47Å; K109-A113 PolarHBondContact O-N 2.68Å
110L87.5Confident81.8Confident111 Ų11197.2 Ų97.258%0.58150%0.497SS*.Hα-helixtrans-67.5-41.5174.1-174.567.4000111.6T106 Y107 W108 A113 Q114T106-L110 WeakPolarHBondContact O-CB 3.46Å; T106-L110 PolarHBondContact O-N 2.85Å; Y107-L110 PolarHBondContact O-N 2.9Å; W108-L110 VanDerWaalsContact C-N 3.29Å; W108-L110 PolarHBondContact O-N 3.21Å; L110-A113 PolarHBondContact O-N 3.02Å; L110-Q114 WeakPolarHBondContact O-CB 3.41Å; L110-Q114 PolarHBondContact O-N 2.87Å
111S89.5Confident83.6Confident59 Ų59100.3 Ų100.341%0.41350%0.502SS..Hα-helixtrans-65.3-43.1176.3-173.50000112.1Y107 W108 Q114 K115Y107-S111 WeakPolarHBondContact O-CB 3.46Å; Y107-S111 PolarHBondContact O-N 2.65Å; W108-S111 WeakPolarHBondContact O-CB 3.48Å; W108-S111 PolarHBondContact O-N 2.79Å; W108-S111 VanDerWaalsContact O-N 3.13Å; S111-Q114 PolarHBondContact O-N 2.94Å; S111-K115 WeakPolarHBondContact O-CB 3.33Å; S111-K115 PolarHBondContact O-N 2.99Å
112V88.3Confident85.3Confident50 Ų5097.7 Ų97.730%0.30349%0.488SS..Hα-helixtrans-63.9-46173172.50000110.8W108 Q114 K115 Q116W108-V112 HydrophobicContact CD2-CG2 4.21Å; W108-V112 HydrophobicContact CZ2-CG2 4.04Å; W108-V112 WeakPolarHBondContact O-CG2 3.31Å; W108-V112 PolarHBondContact O-N 2.82Å; V112-Q114 VanDerWaalsContact C-N 3.32Å; V112-Q114 PolarHBondContact O-N 3.04Å; V112-K115 PolarHBondContact O-N 3.49Å; V112-Q116 HydrophobicContact CG1-CG 4.47Å; V112-Q116 WeakPolarHBondContact O-CB 3.44Å; V112-Q116 WeakPolarHBondContact O-CG 3.41Å; V112-Q116 PolarHBondContact O-N 3.22Å
113A87.6Confident86.5Confident45 Ų4598.7 Ų98.737%0.37249%0.487SS..Hα-helixtrans-64.6-34.9176.600000112.5K109 L110 A117K109-A113 WeakPolarHBondContact O-CB 3.47Å; K109-A113 PolarHBondContact O-N 2.68Å; L110-A113 PolarHBondContact O-N 3.02Å; A113-A117 VanDerWaalsContact O-CB 3.23Å; A113-A117 WeakPolarHBondContact O-CB 3.35Å; A113-A117 PolarHBondContact O-N 3.32Å
114Q90.6Very high87.4Confident132 Ų13296.8 Ų96.862%0.61748%0.481SS*.Hα-helixtrans-67.8-45.3174179.5175.7-17.600111L110 S111 V112 A117 E118L110-Q114 WeakPolarHBondContact O-CB 3.41Å; L110-Q114 PolarHBondContact O-N 2.87Å; S111-Q114 PolarHBondContact O-N 2.94Å; V112-Q114 VanDerWaalsContact C-N 3.32Å; V112-Q114 PolarHBondContact O-N 3.04Å; Q114-A117 WeakPolarHBondContact O-CB 3.23Å; Q114-A117 PolarHBondContact O-N 3.47Å; Q114-E118 PolarHBondContact O-N 3.23Å
115K91.4Very high88.4Confident139 Ų13993.3 Ų93.360%0.60446%0.464SS*.Hα-helixtrans-61.1-48.8174.2-171.1-178.3175.8-173.60110.9S111 V112 A117 E118 D119S111-K115 WeakPolarHBondContact O-CB 3.33Å; S111-K115 PolarHBondContact O-N 2.99Å; V112-K115 PolarHBondContact O-N 3.49Å; K115-A117 PolarHBondContact O-N 3.47Å; K115-E118 CarbonylContact O-C 3.56Å; K115-E118 WeakPolarHBondContact O-CB 3.22Å; K115-E118 PolarHBondContact O-N 2.8Å; K115-E118 VanDerWaalsContact O-N 3.08Å; K115-D119 PolarHBondContact O-N 3.12Å
116Q91.4Very high89.3Confident107 Ų10794.4 Ų94.450%0.547%0.472SS..Hα-helixtrans-62-28174.3-72.3179.5-7.200113.4V112 R120V112-Q116 HydrophobicContact CG1-CG 4.47Å; V112-Q116 WeakPolarHBondContact O-CB 3.44Å; V112-Q116 WeakPolarHBondContact O-CG 3.41Å; V112-Q116 PolarHBondContact O-N 3.22Å; Q116-R120 WeakPolarHBondContact O-CB 3.18Å; Q116-R120 VanDerWaalsContact O-CG 3.29Å; Q116-R120 WeakPolarHBondContact O-CG 3.38Å; Q116-R120 PolarHBondContact O-N 2.91Å; Q116-R120 VanDerWaalsContact O-N 3.14Å; Q116-R120 PolarHBondContact O-NE 3.2Å
117A90.5Very high90.1Very high49 Ų4997.2 Ų97.241%0.40548%0.477SS..Hα-helixtrans-74.8-39.5172.400000111.7A113 Q114 K115 F121A113-A117 VanDerWaalsContact O-CB 3.23Å; A113-A117 WeakPolarHBondContact O-CB 3.35Å; A113-A117 PolarHBondContact O-N 3.32Å; Q114-A117 WeakPolarHBondContact O-CB 3.23Å; Q114-A117 PolarHBondContact O-N 3.47Å; K115-A117 PolarHBondContact O-N 3.47Å; A117-F121 WeakPolarHBondContact O-CB 3.46Å; A117-F121 PolarHBondContact O-N 3.34Å
118E92.7Very high90.7Very high92 Ų9294.8 Ų94.843%0.4348%0.475SS..Hα-helixtrans-63.2-47.9172.2-161.2-167.1127.500110.8Q114 K115 R120 F121 N122 R847Q114-E118 PolarHBondContact O-N 3.23Å; K115-E118 CarbonylContact O-C 3.56Å; K115-E118 WeakPolarHBondContact O-CB 3.22Å; K115-E118 PolarHBondContact O-N 2.8Å; K115-E118 VanDerWaalsContact O-N 3.08Å; E118-R120 PolarHBondContact O-N 3.3Å; E118-F121 CarbonylContact O-C 3.57Å; E118-F121 WeakPolarHBondContact O-CA 3.33Å; E118-F121 WeakPolarHBondContact O-CB 3.46Å; E118-F121 PolarHBondContact O-N 2.81Å; E118-N122 VanDerWaalsContact O-CG 3.27Å; E118-N122 PolarHBondContact O-N 3.47Å; E118-N122 PolarHBondContact O-ND2 2.89Å; E118-R847 IonicContact OE1-CZ 2.67Å; E118-R847 IonicContact OE1-NE 2.72Å; E118-R847 IonicContact OE1-NH2 2.79Å; E118-R847 PolarHBondContact OE1-NH2 3.21Å
119D93Very high91.3Very high62 Ų6292 Ų9233%0.33247%0.468SS..Hα-helixtrans-60.5-44.6178.7-67.7-31.6000111.7K115 F121 N122 I123K115-D119 PolarHBondContact O-N 3.12Å; D119-F121 VanDerWaalsContact C-N 3.32Å; D119-F121 PolarHBondContact O-N 2.89Å; D119-N122 WeakPolarHBondContact O-CB 3.41Å; D119-N122 PolarHBondContact O-N 3.3Å; D119-I123 WeakPolarHBondContact O-CB 3.32Å; D119-I123 WeakPolarHBondContact O-CD1 3.29Å; D119-I123 VanDerWaalsContact O-CG1 3.24Å; D119-I123 WeakPolarHBondContact O-CG1 3.41Å; D119-I123 PolarHBondContact O-N 2.87Å
120R89.1Confident91.7Very high157 Ų15794 Ų9459%0.59248%0.477SS*.Hα-helixtrans-62.8-35.8171.8-76.2176.7-68.5179.3-1.8112.8Q116 E118 A124Q116-R120 WeakPolarHBondContact O-CB 3.18Å; Q116-R120 VanDerWaalsContact O-CG 3.29Å; Q116-R120 WeakPolarHBondContact O-CG 3.38Å; Q116-R120 PolarHBondContact O-N 2.91Å; Q116-R120 VanDerWaalsContact O-N 3.14Å; Q116-R120 PolarHBondContact O-NE 3.2Å; E118-R120 PolarHBondContact O-N 3.3Å; R120-A124 VanDerWaalsContact O-CB 3.3Å; R120-A124 WeakPolarHBondContact O-CB 3.45Å; R120-A124 PolarHBondContact O-N 3.39Å
121F92.1Very high91.9Very high133 Ų13394.2 Ų94.258%0.58348%0.475SS*.Hα-helixtrans-67.6-43.6174.1173.3-97.9000111.9A117 E118 D119 A124 V125A117-F121 WeakPolarHBondContact O-CB 3.46Å; A117-F121 PolarHBondContact O-N 3.34Å; E118-F121 CarbonylContact O-C 3.57Å; E118-F121 WeakPolarHBondContact O-CA 3.33Å; E118-F121 WeakPolarHBondContact O-CB 3.46Å; E118-F121 PolarHBondContact O-N 2.81Å; D119-F121 VanDerWaalsContact C-N 3.32Å; D119-F121 PolarHBondContact O-N 2.89Å; F121-A124 PolarHBondContact O-N 2.92Å; F121-V125 HydrophobicContact CD1-CG2 4.35Å; F121-V125 HydrophobicContact CD2-CG2 4.36Å; F121-V125 HydrophobicContact CE1-CG2 3.95Å; F121-V125 HydrophobicContact CE2-CG2 3.97Å; F121-V125 HydrophobicContact CZ-CG2 3.75Å; F121-V125 WeakPolarHBondContact O-CB 3.33Å; F121-V125 WeakPolarHBondContact O-CG2 3.15Å; F121-V125 PolarHBondContact O-N 2.89Å
122N94.1Very high92.1Very high31 Ų3197.1 Ų97.117%0.16648%0.48CS..Hα-helixtrans-57.9-50.6174-67.4-58.2000110.7E118 D119 A124 V125 D126 R847E118-N122 VanDerWaalsContact O-CG 3.27Å; E118-N122 PolarHBondContact O-N 3.47Å; E118-N122 PolarHBondContact O-ND2 2.89Å; D119-N122 WeakPolarHBondContact O-CB 3.41Å; D119-N122 PolarHBondContact O-N 3.3Å; N122-A124 VanDerWaalsContact C-N 3.31Å; N122-A124 PolarHBondContact O-N 3.01Å; N122-V125 PolarHBondContact O-N 2.96Å; N122-D126 PolarHBondContact O-N 3.23Å; N122-R847 VanDerWaalsContact CG-NH2 3.25Å; N122-R847 VanDerWaalsContact ND2-CZ 3.33Å; N122-R847 PolarHBondContact ND2-NH1 3.49Å; N122-R847 PolarHBondContact ND2-NH2 3.45Å; N122-R847 PolarHBondContact OD1-NH1 3.15Å; N122-R847 VanDerWaalsContact OD1-NH1 3.11Å; N122-R847 PolarHBondContact OD1-NH2 3.14Å
123I93.7Very high92.3Very high117 Ų117100.7 Ų100.760%0.650%0.497SS*.Hα-helixtrans-60.8-40.1178.6-67.9163.6000111.1D119 K127D119-I123 WeakPolarHBondContact O-CB 3.32Å; D119-I123 WeakPolarHBondContact O-CD1 3.29Å; D119-I123 VanDerWaalsContact O-CG1 3.24Å; D119-I123 WeakPolarHBondContact O-CG1 3.41Å; D119-I123 PolarHBondContact O-N 2.87Å; I123-K127 VanDerWaalsContact O-CB 3.23Å; I123-K127 WeakPolarHBondContact O-CB 3.42Å; I123-K127 PolarHBondContact O-N 2.81Å
124A92.4Very high92.6Very high57 Ų57103.7 Ų103.747%0.47151%0.505SS..Hα-helixtrans-66.6-40.8175.500000112.6R120 F121 N122 K127 L128R120-A124 VanDerWaalsContact O-CB 3.3Å; R120-A124 WeakPolarHBondContact O-CB 3.45Å; R120-A124 PolarHBondContact O-N 3.39Å; F121-A124 PolarHBondContact O-N 2.92Å; N122-A124 VanDerWaalsContact C-N 3.31Å; N122-A124 PolarHBondContact O-N 3.01Å; A124-K127 PolarHBondContact O-N 3.18Å; A124-L128 WeakPolarHBondContact O-CB 3.37Å; A124-L128 PolarHBondContact O-N 3.29Å
125V93.5Very high92.7Very high44 Ų44102.6 Ų102.627%0.26750%0.5SS..Hα-helixtrans-65.4-44.5175.9166.60000111.2F121 N122 L128 H129F121-V125 HydrophobicContact CD1-CG2 4.35Å; F121-V125 HydrophobicContact CD2-CG2 4.36Å; F121-V125 HydrophobicContact CE1-CG2 3.95Å; F121-V125 HydrophobicContact CE2-CG2 3.97Å; F121-V125 HydrophobicContact CZ-CG2 3.75Å; F121-V125 WeakPolarHBondContact O-CB 3.33Å; F121-V125 WeakPolarHBondContact O-CG2 3.15Å; F121-V125 PolarHBondContact O-N 2.89Å; N122-V125 PolarHBondContact O-N 2.96Å; V125-L128 WeakPolarHBondContact O-CB 3.49Å; V125-L128 PolarHBondContact O-N 3.16Å; V125-H129 WeakPolarHBondContact CG1-CE1 3.24Å; V125-H129 VanDerWaalsContact O-CG 3.27Å; V125-H129 PolarHBondContact O-N 3.32Å; V125-H129 PolarHBondContact O-ND1 2.81Å
126D94Very high92.8Very high89 Ų8999.8 Ų99.848%0.47649%0.492SS..Hα-helixtrans-71.3-32.6177.7-76.6-21.2000112.6N122 H129 K130N122-D126 PolarHBondContact O-N 3.23Å; D126-H129 PolarHBondContact O-N 2.89Å; D126-H129 IonicContact OD1-ND1 2.71Å; D126-K130 WeakPolarHBondContact O-CB 2.96Å; D126-K130 VanDerWaalsContact O-CG 3.27Å; D126-K130 WeakPolarHBondContact O-CG 3.24Å; D126-K130 PolarHBondContact O-N 3.45Å
127K93.2Very high92.9Very high146 Ų146100.3 Ų100.364%0.63550%0.498SS*.Hα-helixtrans-63.8-43.8169.2-173.4171.1-178.8174.30111.1I123 A124 H129 K130 E131I123-K127 VanDerWaalsContact O-CB 3.23Å; I123-K127 WeakPolarHBondContact O-CB 3.42Å; I123-K127 PolarHBondContact O-N 2.81Å; A124-K127 PolarHBondContact O-N 3.18Å; K127-H129 PolarHBondContact O-N 3.46Å; K127-K130 PolarHBondContact O-N 2.93Å; K127-E131 WeakPolarHBondContact O-CB 3.31Å; K127-E131 PolarHBondContact O-N 3.23Å
128L93.7Very high92.9Very high109 Ų109101.3 Ų101.357%0.57150%0.499SS*.Hα-helixtrans-63.8-38175.2-17963.8000112.2A124 V125 K132A124-L128 WeakPolarHBondContact O-CB 3.37Å; A124-L128 PolarHBondContact O-N 3.29Å; V125-L128 WeakPolarHBondContact O-CB 3.49Å; V125-L128 PolarHBondContact O-N 3.16Å; L128-K132 VanDerWaalsContact O-CB 3.26Å; L128-K132 WeakPolarHBondContact O-CB 3.47Å; L128-K132 PolarHBondContact O-N 2.84Å
129H93.1Very high92.8Very high102 Ų102101.3 Ų101.347%0.47250%0.498SS..Hα-helixtrans-65.5-43.7173-68.9148.2000112.3V125 D126 K127 K132 L133V125-H129 WeakPolarHBondContact CG1-CE1 3.24Å; V125-H129 VanDerWaalsContact O-CG 3.27Å; V125-H129 PolarHBondContact O-N 3.32Å; V125-H129 PolarHBondContact O-ND1 2.81Å; D126-H129 PolarHBondContact O-N 2.89Å; D126-H129 IonicContact OD1-ND1 2.71Å; K127-H129 PolarHBondContact O-N 3.46Å; H129-K132 PolarHBondContact O-N 3.3Å; H129-L133 WeakPolarHBondContact O-CG 3.36Å; H129-L133 PolarHBondContact O-N 2.93Å
130K93.3Very high92.7Very high142 Ų142103.4 Ų103.462%0.61751%0.506SS*.Hα-helixtrans-63.3-46.8175.1-73.4170.4-178.6179.20111.7D126 K127 K132 L133 I134D126-K130 WeakPolarHBondContact O-CB 2.96Å; D126-K130 VanDerWaalsContact O-CG 3.27Å; D126-K130 WeakPolarHBondContact O-CG 3.24Å; D126-K130 PolarHBondContact O-N 3.45Å; K127-K130 PolarHBondContact O-N 2.93Å; K130-K132 VanDerWaalsContact C-N 3.33Å; K130-K132 PolarHBondContact O-N 3.49Å; K130-L133 PolarHBondContact O-N 3.27Å; K130-I134 WeakPolarHBondContact O-CG1 3.41Å; K130-I134 PolarHBondContact O-N 2.83Å
131E92.2Very high92.8Very high116 Ų116100.1 Ų100.154%0.54250%0.497SS..Hα-helixtrans-60.1-42.8176.7-175.2177.6170.500111.4K127 I134 Q135K127-E131 WeakPolarHBondContact O-CB 3.31Å; K127-E131 PolarHBondContact O-N 3.23Å; E131-I134 PolarHBondContact O-N 2.75Å; E131-Q135 WeakPolarHBondContact O-CB 3.08Å; E131-Q135 PolarHBondContact O-N 3.39Å
132K94Very high92.7Very high121 Ų12196.3 Ų96.353%0.52649%0.485SS..Hα-helixtrans-63.9-42.5175.2-173.7179.1176.9-173.80112.6L128 H129 K130 I134 Q135 D136L128-K132 VanDerWaalsContact O-CB 3.26Å; L128-K132 WeakPolarHBondContact O-CB 3.47Å; L128-K132 PolarHBondContact O-N 2.84Å; H129-K132 PolarHBondContact O-N 3.3Å; K130-K132 VanDerWaalsContact C-N 3.33Å; K130-K132 PolarHBondContact O-N 3.49Å; K132-I134 VanDerWaalsContact C-N 3.33Å; K132-I134 PolarHBondContact O-N 3.46Å; K132-Q135 PolarHBondContact O-N 2.78Å; K132-D136 WeakPolarHBondContact O-CB 3.46Å; K132-D136 PolarHBondContact O-N 3.03Å
133L93.4Very high92.5Very high125 Ų12599.5 Ų99.565%0.65450%0.499SS*.Hα-helixtrans-62.3-40175.3-76.7166.9000112H129 K130 L137H129-L133 WeakPolarHBondContact O-CG 3.36Å; H129-L133 PolarHBondContact O-N 2.93Å; K130-L133 PolarHBondContact O-N 3.27Å; L133-L137 WeakPolarHBondContact O-CB 3.43Å; L133-L137 PolarHBondContact O-N 3.06Å
134I93.5Very high92.4Very high107 Ų10797.8 Ų97.855%0.54949%0.488SS..Hα-helixtrans-64.5-45.1173.4-67163.7000110.2K130 E131 K132 D136 L137 T138K130-I134 WeakPolarHBondContact O-CG1 3.41Å; K130-I134 PolarHBondContact O-N 2.83Å; E131-I134 PolarHBondContact O-N 2.75Å; K132-I134 VanDerWaalsContact C-N 3.33Å; K132-I134 PolarHBondContact O-N 3.46Å; I134-D136 PolarHBondContact O-N 3.04Å; I134-L137 WeakPolarHBondContact O-CB 3.27Å; I134-L137 PolarHBondContact O-N 3.5Å; I134-T138 PolarHBondContact O-N 3.45Å; I134-T138 PolarHBondContact O-OG1 2.8Å
135Q92.3Very high92.3Very high110 Ų110101.7 Ų101.751%0.51449%0.491SS..Hα-helixtrans-62.6-42.5177.9-176.917782.500112.5E131 K132 L137 T138 Q139E131-Q135 WeakPolarHBondContact O-CB 3.08Å; E131-Q135 PolarHBondContact O-N 3.39Å; K132-Q135 PolarHBondContact O-N 2.78Å; Q135-L137 VanDerWaalsContact C-N 3.35Å; Q135-T138 PolarHBondContact O-N 3.24Å; Q135-Q139 WeakPolarHBondContact O-CB 3.24Å; Q135-Q139 WeakPolarHBondContact O-CG 3.06Å; Q135-Q139 PolarHBondContact O-N 3.42Å
136D92.8Very high92.2Very high79 Ų79103.4 Ų103.442%0.42250%0.498SS..Hα-helixtrans-65.9-37.3175.5-76-26.2000111K132 I134 Q139 H140K132-D136 WeakPolarHBondContact O-CB 3.46Å; K132-D136 PolarHBondContact O-N 3.03Å; I134-D136 PolarHBondContact O-N 3.04Å; D136-Q139 PolarHBondContact O-N 3.36Å; D136-H140 PolarHBondContact O-N 3.5Å
137L93.4Very high92.2Very high119 Ų119103.1 Ų103.162%0.62349%0.493SS*.Hα-helixtrans-65.9-46.3173.3-17962.4000112.1L133 I134 Q135 Q139 H140 E141L133-L137 WeakPolarHBondContact O-CB 3.43Å; L133-L137 PolarHBondContact O-N 3.06Å; I134-L137 WeakPolarHBondContact O-CB 3.27Å; I134-L137 PolarHBondContact O-N 3.5Å; Q135-L137 VanDerWaalsContact C-N 3.35Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 3.21Å; L137-H140 WeakPolarHBondContact O-CB 3.46Å; L137-H140 PolarHBondContact O-N 3.49Å; L137-H140 VanDerWaalsContact O-N 3.14Å; L137-E141 WeakPolarHBondContact O-CB 3.19Å; L137-E141 PolarHBondContact O-N 3.1Å
138T91.2Very high92.2Very high70 Ų70102.3 Ų102.343%0.42949%0.491SS..Hα-helixtrans-63.5-36.1174.9-54.30000111.5I134 Q135 T142I134-T138 PolarHBondContact O-N 3.45Å; I134-T138 PolarHBondContact O-OG1 2.8Å; Q135-T138 PolarHBondContact O-N 3.24Å; T138-T142 HydrophobicContact CG2-CG2 4.4Å; T138-T142 WeakPolarHBondContact O-CB 3.29Å; T138-T142 WeakPolarHBondContact O-CG2 3.43Å; T138-T142 PolarHBondContact O-N 2.99Å; T138-T142 PolarHBondContact O-OG1 2.69Å
139Q90.4Very high92.1Very high91 Ų91101.6 Ų101.643%0.42549%0.491SS..Hα-helixtrans-66.1-37.3171.8-79.3-172.660.900112.5Q135 D136 L137 T142 Q143Q135-Q139 WeakPolarHBondContact O-CB 3.24Å; Q135-Q139 WeakPolarHBondContact O-CG 3.06Å; Q135-Q139 PolarHBondContact O-N 3.42Å; D136-Q139 PolarHBondContact O-N 3.36Å; L137-Q139 VanDerWaalsContact C-N 3.31Å; L137-Q139 PolarHBondContact O-N 3.21Å; Q139-T142 WeakPolarHBondContact CA-OG1 3.35Å; Q139-T142 PolarHBondContact O-OG1 2.89Å; Q139-Q143 VanDerWaalsContact O-CB 3.28Å; Q139-Q143 WeakPolarHBondContact O-CB 3.29Å; Q139-Q143 WeakPolarHBondContact O-CG 3.24Å; Q139-Q143 PolarHBondContact O-N 3.03Å; Q139-Q143 PolarHBondContact O-NE2 2.79Å
140H90.5Very high92.1Very high106 Ų106104.3 Ų104.349%0.49150%0.497SS..Hα-helixtrans-66.4-47.4174-175.3-84.4000111.5D136 L137 Q143 E144D136-H140 PolarHBondContact O-N 3.5Å; L137-H140 WeakPolarHBondContact O-CB 3.46Å; L137-H140 PolarHBondContact O-N 3.49Å; L137-H140 VanDerWaalsContact O-N 3.14Å; H140-Q143 WeakPolarHBondContact O-CB 3.19Å; H140-Q143 PolarHBondContact O-N 2.9Å; H140-Q143 VanDerWaalsContact O-N 3.15Å; H140-E144 IonicContact CE1-OE1 2.67Å; H140-E144 IonicContact NE2-OE1 3.27Å; H140-E144 PolarHBondContact O-N 3.14Å
141E91.2Very high92.1Very high88 Ų88101.4 Ų101.441%0.41149%0.488SS..Hα-helixtrans-66.2-41.8-177.4-159.1-118.3123.400112L137 E144 R145L137-E141 WeakPolarHBondContact O-CB 3.19Å; L137-E141 PolarHBondContact O-N 3.1Å; E141-E144 PolarHBondContact O-N 3.19Å; E141-R145 VanDerWaalsContact CD-NH2 3.27Å; E141-R145 PolarHBondContact O-N 3.19Å; E141-R145 IonicContact OE1-CZ 3.8Å; E141-R145 IonicContact OE1-NE 2.72Å; E141-R145 PolarHBondContact OE1-NE 3.04Å; E141-R145 IonicContact OE1-NH2 3.62Å; E141-R145 PolarHBondContact OE1-NH2 3.14Å; E141-R145 IonicContact OE2-NH2 3.69Å; E141-R145 PolarHBondContact OE2-NH2 3.07Å; E141-R145 VanDerWaalsContact OE2-NH2 3.1Å
142T90.3Very high92Very high53 Ų5399.4 Ų99.433%0.32548%0.484SS..Hα-helixtrans-67-33.6170.952.80000112.6T138 Q139 I146T138-T142 HydrophobicContact CG2-CG2 4.4Å; T138-T142 WeakPolarHBondContact O-CB 3.29Å; T138-T142 WeakPolarHBondContact O-CG2 3.43Å; T138-T142 PolarHBondContact O-N 2.99Å; T138-T142 PolarHBondContact O-OG1 2.69Å; Q139-T142 WeakPolarHBondContact CA-OG1 3.35Å; Q139-T142 PolarHBondContact O-OG1 2.89Å; T142-I146 VanDerWaalsContact O-CB 3.32Å; T142-I146 WeakPolarHBondContact O-CB 3.23Å; T142-I146 WeakPolarHBondContact O-CD1 3.19Å; T142-I146 WeakPolarHBondContact O-CG1 3.45Å; T142-I146 PolarHBondContact O-N 3.28Å
143Q91.1Very high91.9Very high98 Ų9897.7 Ų97.746%0.45848%0.478SS..Hα-helixtrans-65-38.5171-81.3177.660.300112.6Q139 H140 I146 K147Q139-Q143 VanDerWaalsContact O-CB 3.28Å; Q139-Q143 WeakPolarHBondContact O-CB 3.29Å; Q139-Q143 WeakPolarHBondContact O-CG 3.24Å; Q139-Q143 PolarHBondContact O-N 3.03Å; Q139-Q143 PolarHBondContact O-NE2 2.79Å; H140-Q143 WeakPolarHBondContact O-CB 3.19Å; H140-Q143 PolarHBondContact O-N 2.9Å; H140-Q143 VanDerWaalsContact O-N 3.15Å; Q143-I146 PolarHBondContact O-N 3.4Å; Q143-K147 WeakPolarHBondContact O-CD 3.33Å; Q143-K147 WeakPolarHBondContact O-CG 3.35Å; Q143-K147 PolarHBondContact O-N 3.17Å
144E91.6Very high91.9Very high81 Ų8198.2 Ų98.238%0.37948%0.475SS..Hα-helixtrans-67-46.9173.4-68.8-50138.900112H140 E141 I146 K147 E148H140-E144 IonicContact CE1-OE1 2.67Å; H140-E144 IonicContact NE2-OE1 3.27Å; H140-E144 PolarHBondContact O-N 3.14Å; E141-E144 PolarHBondContact O-N 3.19Å; E144-I146 VanDerWaalsContact C-N 3.25Å; E144-I146 PolarHBondContact O-N 3.3Å; E144-K147 WeakPolarHBondContact O-CA 3.19Å; E144-K147 WeakPolarHBondContact O-CB 3.39Å; E144-K147 PolarHBondContact O-N 3.41Å; E144-K147 WeakPolarHBondContact OE1-CD 3.33Å; E144-K147 IonicContact OE1-NZ 3.66Å; E144-K147 PolarHBondContact OE1-NZ 2.82Å; E144-K147 VanDerWaalsContact OE2-CD 3.29Å; E144-K147 WeakPolarHBondContact OE2-CD 3.42Å; E144-K147 IonicContact OE2-NZ 3.29Å; E144-E148 PolarHBondContact O-N 3.02Å
145R90.1Very high91.8Very high140 Ų140100.3 Ų100.353%0.52848%0.48SS..Hα-helixtrans-56.3-39.6172.5-74.8-165.9-99.8162.2-10112.1E141 E148 V149E141-R145 VanDerWaalsContact CD-NH2 3.27Å; E141-R145 PolarHBondContact O-N 3.19Å; E141-R145 IonicContact OE1-CZ 3.8Å; E141-R145 IonicContact OE1-NE 2.72Å; E141-R145 PolarHBondContact OE1-NE 3.04Å; E141-R145 IonicContact OE1-NH2 3.62Å; E141-R145 PolarHBondContact OE1-NH2 3.14Å; E141-R145 IonicContact OE2-NH2 3.69Å; E141-R145 PolarHBondContact OE2-NH2 3.07Å; E141-R145 VanDerWaalsContact OE2-NH2 3.1Å; R145-E148 PolarHBondContact O-N 2.87Å; R145-V149 WeakPolarHBondContact O-CB 3.49Å; R145-V149 VanDerWaalsContact O-CG2 3.31Å; R145-V149 WeakPolarHBondContact O-CG2 3.21Å; R145-V149 PolarHBondContact O-N 2.7Å
146I91.7Very high91.7Very high79 Ų79102.6 Ų102.641%0.40548%0.484SS..Hα-helixtrans-69.4-34.5174.6-71.4166000112.2T142 Q143 E144 R150T142-I146 VanDerWaalsContact O-CB 3.32Å; T142-I146 WeakPolarHBondContact O-CB 3.23Å; T142-I146 WeakPolarHBondContact O-CD1 3.19Å; T142-I146 WeakPolarHBondContact O-CG1 3.45Å; T142-I146 PolarHBondContact O-N 3.28Å; Q143-I146 PolarHBondContact O-N 3.4Å; E144-I146 VanDerWaalsContact C-N 3.25Å; E144-I146 PolarHBondContact O-N 3.3Å; I146-R150 HydrophobicContact CG2-CG 4.43Å; I146-R150 VanDerWaalsContact CG2-CZ 3.42Å; I146-R150 VanDerWaalsContact O-CB 3.24Å; I146-R150 WeakPolarHBondContact O-CB 3.42Å; I146-R150 WeakPolarHBondContact O-CD 3.27Å; I146-R150 WeakPolarHBondContact O-CG 3.19Å; I146-R150 PolarHBondContact O-N 2.81Å
147K93.4Very high91.5Very high84 Ų84101 Ų10137%0.36548%0.481SS..Hα-helixtrans-66.4-42.2173.3-73.5160.4-169.9172.80110.9Q143 E144 R150 N151Q143-K147 WeakPolarHBondContact O-CD 3.33Å; Q143-K147 WeakPolarHBondContact O-CG 3.35Å; Q143-K147 PolarHBondContact O-N 3.17Å; E144-K147 WeakPolarHBondContact O-CA 3.19Å; E144-K147 WeakPolarHBondContact O-CB 3.39Å; E144-K147 PolarHBondContact O-N 3.41Å; E144-K147 WeakPolarHBondContact OE1-CD 3.33Å; E144-K147 IonicContact OE1-NZ 3.66Å; E144-K147 PolarHBondContact OE1-NZ 2.82Å; E144-K147 VanDerWaalsContact OE2-CD 3.29Å; E144-K147 WeakPolarHBondContact OE2-CD 3.42Å; E144-K147 IonicContact OE2-NZ 3.29Å; K147-R150 PolarHBondContact O-N 2.76Å; K147-N151 WeakPolarHBondContact O-CB 3.49Å; K147-N151 PolarHBondContact O-N 2.73Å; K147-N151 PolarHBondContact O-ND2 3.35Å
148E93Very high91.4Very high129 Ų12998.4 Ų98.460%0.60348%0.478SS*.Hα-helixtrans-63.4-51.7175.9-175174.1-159.500111.6E144 R145 R150 N151 T152E144-E148 PolarHBondContact O-N 3.02Å; R145-E148 PolarHBondContact O-N 2.87Å; E148-R150 VanDerWaalsContact C-N 3.28Å; E148-R150 PolarHBondContact O-N 3.22Å; E148-N151 CarbonylContact O-C 3.34Å; E148-N151 WeakPolarHBondContact O-CA 3.47Å; E148-N151 WeakPolarHBondContact O-CB 3.27Å; E148-N151 PolarHBondContact O-N 2.74Å; E148-T152 PolarHBondContact O-N 3.49Å; E148-T152 PolarHBondContact O-OG1 2.7Å
149V92.2Very high91.3Very high93 Ų93101 Ų10156%0.56449%0.488SS*.Hα-helixtrans-59.5-37.6176.1171.20000111.6R145 N151 T152 E153R145-V149 WeakPolarHBondContact O-CB 3.49Å; R145-V149 VanDerWaalsContact O-CG2 3.31Å; R145-V149 WeakPolarHBondContact O-CG2 3.21Å; R145-V149 PolarHBondContact O-N 2.7Å; V149-N151 VanDerWaalsContact C-N 3.29Å; V149-N151 PolarHBondContact O-N 3.41Å; V149-T152 WeakPolarHBondContact CA-OG1 3.47Å; V149-T152 PolarHBondContact O-OG1 2.6Å; V149-T152 VanDerWaalsContact O-OG1 3.06Å; V149-E153 VanDerWaalsContact O-CB 3.27Å; V149-E153 WeakPolarHBondContact O-CB 3.45Å; V149-E153 PolarHBondContact O-N 2.7Å
150R92.1Very high91Very high159 Ų159101.2 Ų101.260%0.649%0.491SS*.Hα-helixtrans-67.5-26.9171.7-77170.8178.21612.1113I146 K147 E148 K154I146-R150 HydrophobicContact CG2-CG 4.43Å; I146-R150 VanDerWaalsContact CG2-CZ 3.42Å; I146-R150 VanDerWaalsContact O-CB 3.24Å; I146-R150 WeakPolarHBondContact O-CB 3.42Å; I146-R150 WeakPolarHBondContact O-CD 3.27Å; I146-R150 WeakPolarHBondContact O-CG 3.19Å; I146-R150 PolarHBondContact O-N 2.81Å; K147-R150 PolarHBondContact O-N 2.76Å; E148-R150 VanDerWaalsContact C-N 3.28Å; E148-R150 PolarHBondContact O-N 3.22Å; R150-K154 VanDerWaalsContact O-CB 3.26Å; R150-K154 WeakPolarHBondContact O-CB 3.21Å; R150-K154 WeakPolarHBondContact O-CD 3.36Å; R150-K154 WeakPolarHBondContact O-CG 3.26Å; R150-K154 PolarHBondContact O-N 3.44Å
151N92.8Very high90.7Very high81 Ų81100.1 Ų100.143%0.43350%0.501SS..Hα-helixtrans-83.8-33.1177.9-71.7-22.4000112.2K147 E148 V149 K154 K155K147-N151 WeakPolarHBondContact O-CB 3.49Å; K147-N151 PolarHBondContact O-N 2.73Å; K147-N151 PolarHBondContact O-ND2 3.35Å; E148-N151 CarbonylContact O-C 3.34Å; E148-N151 WeakPolarHBondContact O-CA 3.47Å; E148-N151 WeakPolarHBondContact O-CB 3.27Å; E148-N151 PolarHBondContact O-N 2.74Å; V149-N151 VanDerWaalsContact C-N 3.29Å; V149-N151 PolarHBondContact O-N 3.41Å; N151-K154 PolarHBondContact OD1-NZ 3.39Å; N151-K155 WeakPolarHBondContact O-CG 3.15Å; N151-K155 PolarHBondContact O-N 3.29Å
152T92.1Very high90.5Very high74 Ų74100.4 Ų100.445%0.45451%0.512SS..Hα-helixtrans-70.4-43.7168.956.20000111.1E148 V149 K154 K155 R156E148-T152 PolarHBondContact O-N 3.49Å; E148-T152 PolarHBondContact O-OG1 2.7Å; V149-T152 WeakPolarHBondContact CA-OG1 3.47Å; V149-T152 PolarHBondContact O-OG1 2.6Å; V149-T152 VanDerWaalsContact O-OG1 3.06Å; T152-K154 PolarHBondContact O-N 2.75Å; T152-K155 WeakPolarHBondContact O-CB 3.34Å; T152-K155 PolarHBondContact O-N 3.05Å; T152-K155 VanDerWaalsContact O-N 3.11Å; T152-R156 PolarHBondContact O-N 3.35Å
153E90.9Very high90.2Very high86 Ų86103.4 Ų103.440%0.40253%0.526SS..Hα-helixtrans-69.8-29.6176-169.653.4-142.600112.3V149 K155 R156 A157V149-E153 VanDerWaalsContact O-CB 3.27Å; V149-E153 WeakPolarHBondContact O-CB 3.45Å; V149-E153 PolarHBondContact O-N 2.7Å; E153-K155 PolarHBondContact O-N 3.41Å; E153-R156 PolarHBondContact O-N 2.75Å; E153-R156 WeakPolarHBondContact OE2-CD 3.39Å; E153-R156 IonicContact OE2-NH1 2.67Å; E153-A157 WeakPolarHBondContact O-CB 3.39Å; E153-A157 PolarHBondContact O-N 2.81Å
154K92.5Very high89.8Confident135 Ų135104.5 Ų104.559%0.58754%0.541SS*.Hα-helixtrans-61-41.2166.7-84.6168-168.5167.80112.5R150 N151 T152 R156 A158R150-K154 VanDerWaalsContact O-CB 3.26Å; R150-K154 WeakPolarHBondContact O-CB 3.21Å; R150-K154 WeakPolarHBondContact O-CD 3.36Å; R150-K154 WeakPolarHBondContact O-CG 3.26Å; R150-K154 PolarHBondContact O-N 3.44Å; N151-K154 PolarHBondContact OD1-NZ 3.39Å; T152-K154 PolarHBondContact O-N 2.75Å; K154-R156 VanDerWaalsContact C-N 3.33Å; K154-A158 VanDerWaalsContact O-CB 3.29Å; K154-A158 WeakPolarHBondContact O-CB 3.5Å; K154-A158 PolarHBondContact O-N 2.86Å
155K91.8Very high89.1Confident152 Ų152106.5 Ų106.566%0.66156%0.561SS**Hα-helixtrans-63.1-42.4175-69167.9-178.1178.60110.3N151 T152 E153 A158 L159N151-K155 WeakPolarHBondContact O-CG 3.15Å; N151-K155 PolarHBondContact O-N 3.29Å; T152-K155 WeakPolarHBondContact O-CB 3.34Å; T152-K155 PolarHBondContact O-N 3.05Å; T152-K155 VanDerWaalsContact O-N 3.11Å; E153-K155 PolarHBondContact O-N 3.41Å; K155-A158 PolarHBondContact O-N 2.85Å; K155-L159 WeakPolarHBondContact O-CG 3.33Å; K155-L159 PolarHBondContact O-N 2.94Å
156R91.2Very high88.1Confident157 Ų157106 Ų10659%0.59258%0.576SS**Hα-helixtrans-65.6-47176.6-161.9-173.3-156162.45.2112.8T152 E153 K154 A158 L159 I160T152-R156 PolarHBondContact O-N 3.35Å; E153-R156 PolarHBondContact O-N 2.75Å; E153-R156 WeakPolarHBondContact OE2-CD 3.39Å; E153-R156 IonicContact OE2-NH1 2.67Å; K154-R156 VanDerWaalsContact C-N 3.33Å; R156-A158 VanDerWaalsContact C-N 3.31Å; R156-A158 PolarHBondContact O-N 3.25Å; R156-L159 WeakPolarHBondContact O-CB 3.31Å; R156-L159 PolarHBondContact O-N 2.97Å; R156-L159 VanDerWaalsContact O-N 3.11Å; R156-I160 HydrophobicContact CG-CD1 4.12Å; R156-I160 WeakPolarHBondContact O-CG1 3.46Å; R156-I160 PolarHBondContact O-N 3.46Å
157A88.7Confident87.3Confident45 Ų45112.7 Ų112.737%0.37260%0.602SS.*Hα-helixtrans-65.4-32.8177.900000112.1E153 I160 A161E153-A157 WeakPolarHBondContact O-CB 3.39Å; E153-A157 PolarHBondContact O-N 2.81Å; A157-I160 PolarHBondContact O-N 3.48Å; A157-A161 WeakPolarHBondContact O-CB 3.4Å; A157-A161 PolarHBondContact O-N 2.84Å
158A89.8Confident85.4Confident66 Ų66112.2 Ų112.255%0.54562%0.622SS.*Hα-helixtrans-65.1-37.617100000112.2K154 K155 R156 S162K154-A158 VanDerWaalsContact O-CB 3.29Å; K154-A158 WeakPolarHBondContact O-CB 3.5Å; K154-A158 PolarHBondContact O-N 2.86Å; K155-A158 PolarHBondContact O-N 2.85Å; R156-A158 VanDerWaalsContact C-N 3.31Å; R156-A158 PolarHBondContact O-N 3.25Å; A158-S162 PolarHBondContact O-N 2.87Å
159L89Confident83.3Confident124 Ų124114.3 Ų114.365%0.64964%0.635SS**Hα-helixtrans-68.5-43.3172.2-65.2166.4000111.6K155 R156 S162K155-L159 WeakPolarHBondContact O-CG 3.33Å; K155-L159 PolarHBondContact O-N 2.94Å; R156-L159 WeakPolarHBondContact O-CB 3.31Å; R156-L159 PolarHBondContact O-N 2.97Å; R156-L159 VanDerWaalsContact O-N 3.11Å; L159-S162 WeakPolarHBondContact O-CB 3.43Å; L159-S162 PolarHBondContact O-N 3.21Å; L159-S162 PolarHBondContact O-OG 3.42Å
160I85.2Confident81.2Confident95 Ų95117.4 Ų117.449%0.48765%0.648SS.*Hα-helixtrans-67.2-36.8178.3-66.7167.6000111.5R156 A157 S162 L163R156-I160 HydrophobicContact CG-CD1 4.12Å; R156-I160 WeakPolarHBondContact O-CG1 3.46Å; R156-I160 PolarHBondContact O-N 3.46Å; A157-I160 PolarHBondContact O-N 3.48Å; I160-S162 PolarHBondContact O-N 2.84Å; I160-L163 VanDerWaalsContact O-CB 3.24Å; I160-L163 WeakPolarHBondContact O-CB 3.43Å; I160-L163 WeakPolarHBondContact O-CG 3.43Å; I160-L163 PolarHBondContact O-N 3.29Å
161A84.8Confident78.9Confident84 Ų84114.3 Ų114.369%0.69465%0.651SS**THydrogen-bonded Turntrans-69.4-7.3176.300000113.5A157A157-A161 WeakPolarHBondContact O-CB 3.4Å; A157-A161 PolarHBondContact O-N 2.84Å
162S85.7Confident76.7Confident93 Ų93118.5 Ų118.565%0.6567%0.668SS**THydrogen-bonded Turntrans-80.5-0.1167.377.60000113.6A158 L159 I160A158-S162 PolarHBondContact O-N 2.87Å; L159-S162 WeakPolarHBondContact O-CB 3.43Å; L159-S162 PolarHBondContact O-N 3.21Å; L159-S162 PolarHBondContact O-OG 3.42Å; I160-S162 PolarHBondContact O-N 2.84Å
163L83.7Confident74.5Confident117 Ų117122.7 Ų122.761%0.61368%0.682SS**SBendtrans-102.9151179.6-52.1175.3000112.9I160I160-L163 VanDerWaalsContact O-CB 3.24Å; I160-L163 WeakPolarHBondContact O-CB 3.43Å; I160-L163 WeakPolarHBondContact O-CG 3.43Å; I160-L163 PolarHBondContact O-N 3.29Å
164P82.6Confident72.5Confident121 Ų121126.4 Ų126.479%0.78670%0.703SS**PPolyproline II helixtrans-84.8154.2-177.433-35.8000115
165P77.8Confident70.1Confident122 Ų122126 Ų12679%0.79271%0.706SS**PPolyproline II helixtrans-99.5157.2-166.7-3.525.6000117.3
166P69.8Low67.6Low131 Ų131127.7 Ų127.785%0.85171%0.714SS**  trans-94.3-175.8176-2.624.8000115.8
167K73.9Confident65.2Low218 Ų218125.8 Ų125.895%0.94872%0.721SS**  trans-129.9153.2-175.3-58.9178.9-177.6178.40113.3
168G53.8Low62.5Low75 Ų75128.2 Ų128.277%0.77374%0.742SS**  trans-155-176.9-175.900000116.8
169I48.3Very low60.1Low172 Ų172133.2 Ų133.288%0.88276%0.758SS**  trans-143.9156.7-168.3-48.8178.6000111.2
170L47.7Very low57.3Low159 Ų159131.7 Ų131.783%0.83276%0.764SS**  trans-146.3171-165-71.8172.1000117.3
171S45.8Very low55Low94 Ų94133.5 Ų133.566%0.65778%0.783SS**  trans78.9152148.6-67.30000121.4
172E44.6Very low52.6Low169 Ų169136.9 Ų136.979%0.7979%0.785SS**  cis-169.7161.9-21.2-117.9161.8134.900114.5
173E45.9Very low50.4Low162 Ų162138 Ų13876%0.75779%0.79SS**  trans53.9140.4143.2-159.1170.9-13700125.9
174I49.2Very low48.1Very low164 Ų164138.8 Ų138.884%0.84179%0.794SS**  trans166.3163.2135.3-84.7162.4000112.8
175L43.6Very low46Very low126 Ų126139.1 Ų139.166%0.6679%0.794SS**  trans-118.1150.2-156.7-55.996.7000118.9
176K38.8Very low44.2Very low188 Ų188139.5 Ų139.582%0.81779%0.788SS**  trans62.6158.5145.1-75.5174.7179.7179.60120.4
177P40.8Very low43.1Very low116 Ų116139.1 Ų139.175%0.75378%0.783SS**  cis-132.4-177.1-39.340.5-24.7000112.8
178A31Very low41.5Very low96 Ų96137 Ų13779%0.79377%0.77SS**  trans71.3163-178.800000115.3
179L39.5Very low41.2Very low171 Ų171139.8 Ų139.890%0.89577%0.768SS**  trans64106.9-151-53.6172000110.8
180A31.7Very low41.4Very low93 Ų93139.1 Ų139.177%0.76976%0.764SS**  73.478.964.900000113.2
181C35Very low41.9Very low132 Ų132140.4 Ų140.489%0.89277%0.766SS**  trans-157.3142.5140.2-105.70000108.8
182E34.8Very low42.3Very low156 Ų156140.3 Ų140.373%0.72977%0.771SS**  trans-70.8165164.4-57.8177.790.100109.7
183P39.9Very low42.3Very low117 Ų117142.7 Ų142.776%0.7677%0.772SS**  -136.1118.587.233.8-20.3000114.2V185P183-V185 PolarHBondContact O-N 2.81Å
184L36.5Very low42.1Very low132 Ų132142.5 Ų142.569%0.69178%0.776SS**  trans24.583.9134.5-72.1159000117.1
185V37.5Very low41.6Very low129 Ų129140.8 Ų140.878%0.78277%0.774SS**  trans-124.798.6151-178.60000107.4P183 V187P183-V185 PolarHBondContact O-N 2.81Å; V185-V187 PolarHBondContact O-N 2.86Å
186L40.4Very low41.5Very low130 Ų130142.5 Ų142.568%0.68178%0.782SS**  trans-72.787.9-178.4-106.1160.4000110.5Y188L186-Y188 HydrophobicContact CB-CD2 4.41Å; L186-Y188 HydrophobicContact CB-CE2 4.48Å; L186-Y188 HydrophobicContact CD2-CD2 4.41Å; L186-Y188 HydrophobicContact CD2-CE2 4.22Å; L186-Y188 PolarHBondContact O-N 3.24Å; L186-Y188 VanDerWaalsContact O-N 3.08Å
187V45.5Very low41.4Very low122 Ų122140.4 Ų140.474%0.73978%0.775SS**  trans-68.4100.5163-179.10000107.2V185 D189V185-V187 PolarHBondContact O-N 2.86Å; V187-D189 PolarHBondContact O-N 2.73Å
188Y41.6Very low41.2Very low175 Ų175141.8 Ų141.869%0.68678%0.781SS**  trans-72109.1176.2-103.4-89.7000109.9L186L186-Y188 HydrophobicContact CB-CD2 4.41Å; L186-Y188 HydrophobicContact CB-CE2 4.48Å; L186-Y188 HydrophobicContact CD2-CD2 4.41Å; L186-Y188 HydrophobicContact CD2-CE2 4.22Å; L186-Y188 PolarHBondContact O-N 3.24Å; L186-Y188 VanDerWaalsContact O-N 3.08Å
189D46.9Very low41.6Very low133 Ų133144.1 Ų144.171%0.71178%0.776SS**  trans-67.8139.4177.5-125.5-35.3000111.4V187 E191V187-D189 PolarHBondContact O-N 2.73Å; D189-E191 VanDerWaalsContact C-N 3.32Å; D189-E191 PolarHBondContact O-N 2.82Å
190I53.1Low41.5Very low158 Ų158143.1 Ų143.181%0.8177%0.771SS**THydrogen-bonded Turntrans-80-14.5-157.1-67.9171.9000112.8A192I190-A192 PolarHBondContact O-N 3.48Å
191E58.3Low41.8Very low185 Ų185145.2 Ų145.286%0.86477%0.774SS**THydrogen-bonded Turntrans-81-12.2-173.6-55.2-163.7135.600114.5D189 R193D189-E191 VanDerWaalsContact C-N 3.32Å; D189-E191 PolarHBondContact O-N 2.82Å; E191-R193 PolarHBondContact O-N 3.34Å
192A53.6Low41.7Very low92 Ų92147.1 Ų147.176%0.7677%0.77SS**THydrogen-bonded Turntrans-87.815.7-16400000116.8I190I190-A192 PolarHBondContact O-N 3.48Å
193R44.6Very low41.8Very low219 Ų219143.3 Ų143.383%0.82676%0.761SS**THydrogen-bonded Turntrans-122.29-169.5-118.3176.1-176.6151.32.9117.9E191E191-R193 PolarHBondContact O-N 3.34Å
194N41.9Very low41.2Very low158 Ų158143.1 Ų143.185%0.84575%0.748SS**SBendtrans-103.548.4-177-83.4-22.4000115
195T39.6Very low40.8Very low129 Ų129142.2 Ų142.279%0.79175%0.748SS**SBendtrans-166.5158.5157.134.60000110.8
196I40Very low40.4Very low161 Ų161141.4 Ų141.483%0.82674%0.743SS**  trans69.199173.2-45.3168.5000115.1
197H38Very low40Very low144 Ų144141.3 Ų141.367%0.66775%0.747SS**  -174.894.6105.2-172.767.8000111.4Q199H197-Q199 PolarHBondContact CE1-OE1 2.95Å
198T36.5Very low39.5Very low145 Ų145144.7 Ų144.789%0.8975%0.752SS**  trans-96.9110.1172.647.70000110.4
199Q39.2Very low38.9Very low145 Ų145140.3 Ų140.368%0.67875%0.747SS**  trans-144.771.9174.2-155.6158.911.500115.1H197H197-Q199 PolarHBondContact CE1-OE1 2.95Å
200N37Very low38.2Very low150 Ų150140.5 Ų140.580%0.80275%0.747SS**  39.799.9129.8-174.718.8000119.1
201V38.5Very low37.3Very low137 Ų137140.3 Ų140.383%0.8375%0.747SS**  trans-136.9109.9156.6-175.70000112.3
202Q33.5Very low36.3Very low172 Ų172135.5 Ų135.580%0.80473%0.731SS**  trans9.9106.9154.4-64.7176.3-19.500121.6
203S35.1Very low35.6Very low76 Ų76137.9 Ų137.953%0.53173%0.73SS.*  17.1106.1117.4-178.70000120.9K1397S203-K1397 WeakPolarHBondContact OG-CE 3.46Å; S203-K1397 PolarHBondContact OG-NZ 2.85Å; S203-K1397 VanDerWaalsContact OG-NZ 3.11Å
204K28.9Very low35.4Very low114 Ų114131.9 Ų131.950%0.49671%0.712SS.*  -143.5161.8121-117.9172-178164.60108.1V206 E1392 G1393K204-V206 PolarHBondContact O-N 2.85Å; K204-E1392 VanDerWaalsContact NZ-C 3.34Å; K204-E1392 PolarHBondContact NZ-O 3.48Å; K204-E1392 IonicContact NZ-OE1 3.94Å; K204-E1392 PolarHBondContact NZ-OE1 3.44Å; K204-E1392 IonicContact NZ-OE2 4Å; K204-G1393 WeakPolarHBondContact CE-O 3.45Å; K204-G1393 PolarHBondContact NZ-O 3.49Å
205V27.3Very low35.4Very low113 Ų113130.7 Ų130.769%0.68570%0.701SS**  trans-72.7114.9174.8177.20000107.5F1398V205-F1398 HydrophobicContact CG2-CE2 3.67Å; V205-F1398 HydrophobicContact CG2-CZ 4.1Å
206V29.5Very low35.4Very low111 Ų111131.6 Ų131.667%0.67369%0.694SS**  trans-113.595.6175.8-178.50000108.1K204 K208K204-V206 PolarHBondContact O-N 2.85Å; V206-K208 HydrophobicContact CG1-CB 4.18Å; V206-K208 PolarHBondContact O-N 3.12Å
207V31.1Very low35.4Very low129 Ų129129 Ų12978%0.78268%0.682SS**  trans-56.8111.8149.5174.60000105.5
208K36.6Very low35.8Very low192 Ų192129.1 Ų129.184%0.83569%0.686SS**  trans-100.693.5177.9-161.4-173.9177.5-164.40110V206V206-K208 HydrophobicContact CG1-CB 4.18Å; V206-K208 PolarHBondContact O-N 3.12Å
209S28.5Very low36.1Very low84 Ų84124.7 Ų124.759%0.58767%0.669SS**  trans-59.9148.1171.725.10000113.5
210I32Very low36.2Very low137 Ų137124.1 Ų124.170%0.70368%0.678SS**  trans65123.3149.3-52.4155.5000118.1V212I210-V212 HydrophobicContact CG2-CG2 3.92Å
211N33.6Very low36.7Very low153 Ų153120 Ų12082%0.81865%0.654SS**  trans156.268.6145.3-84.514000104.7
212V38.3Very low37.5Very low85 Ų85115.4 Ų115.452%0.51563%0.628SS.*  71.7108.387.1173.90000110.1I210 I413I210-V212 HydrophobicContact CG2-CG2 3.92Å; V212-I413 HydrophobicContact CG1-CD1 4.06Å
213D37.4Very low38.9Very low141 Ų141108.7 Ų108.775%0.75460%0.602SS**  -136.4157.4106.1-74.6-45.7000107.6I413D213-I413 HydrophobicContact CB-CD1 4.5Å
214E42Very low40.5Very low93 Ų93108.3 Ų108.344%0.43560%0.603SS.*  trans-99.4172.4-161.6-66.6175.3-178.300113.1I413 H415E214-I413 HydrophobicContact CB-CD1 4.06Å; E214-I413 HydrophobicContact CB-CG1 4.18Å; E214-I413 HydrophobicContact CG-CD1 3.79Å; E214-I413 HydrophobicContact CG-CG1 4.15Å; E214-I413 WeakPolarHBondContact OE1-CG2 3.27Å; E214-I413 WeakPolarHBondContact OE2-CG2 3.21Å; E214-H415 IonicContact OE1-CE1 3.13Å
215E40.3Very low42.4Very low134 Ų134106.8 Ų106.863%0.62660%0.599SS**  cis-127.9-133.8-5.7-145.7-145114.800108D217E215-D217 PolarHBondContact OE1-N 2.82Å
216K40.7Very low44.5Very low148 Ų148102.7 Ų102.764%0.64358%0.576SS**  cis-139.8141.4-4.4-143.8-159.3-169.1-46.30114.3
217D40.1Very low46.6Very low107 Ų107100.1 Ų100.157%0.57257%0.567SS**  trans56.1135.9151.5-100-46.7000122.9E215E215-D217 PolarHBondContact OE1-N 2.82Å
218I45.6Very low48.8Very low146 Ų14697.3 Ų97.375%0.74955%0.552SS**  trans7364.1163.5-45.2156.4000117.4
219G43.7Very low50.9Low52 Ų5291.4 Ų91.454%0.53653%0.526SS..  76.9131.8124.500000120.5Q221G219-Q221 PolarHBondContact O-N 3.42Å; G219-Q221 PolarHBondContact O-NE2 2.84Å
220P40.2Very low53.1Low132 Ų13291.4 Ų91.486%0.85752%0.517SS*.  trans-69.8121.6170.431.1-32.9000109.6
221Q49Very low55.3Low64 Ų6491.1 Ų91.130%0.29951%0.513SS..  trans-96.4-173.1177.1-68.8149.283.600108.5G219 I225 L1331 D1332G219-Q221 PolarHBondContact O-N 3.42Å; G219-Q221 PolarHBondContact O-NE2 2.84Å; Q221-I225 HydrophobicContact CB-CD1 4.49Å; Q221-L1331 HydrophobicContact CB-CD2 3.59Å; Q221-L1331 HydrophobicContact CG-CD2 4.24Å; Q221-D1332 WeakPolarHBondContact CA-OD1 3.5Å; Q221-D1332 VanDerWaalsContact CA-OD2 3.28Å; Q221-D1332 WeakPolarHBondContact CA-OD2 3.37Å; Q221-D1332 VanDerWaalsContact CB-OD1 3.3Å; Q221-D1332 WeakPolarHBondContact CB-OD1 3.36Å; Q221-D1332 WeakPolarHBondContact CB-OD2 3.32Å; Q221-D1332 PolarHBondContact N-OD1 3.29Å; Q221-D1332 VanDerWaalsContact O-CG 3.25Å
222S53.6Low57.8Low40 Ų4090.1 Ų90.128%0.2850%0.503SS..  trans-116.2143.9-177.1174.70000114.3A224 I225 S226 D1332 D1333S222-A224 PolarHBondContact O-N 3.26Å; S222-A224 PolarHBondContact OG-N 2.8Å; S222-I225 CarbonylContact O-C 3.53Å; S222-I225 WeakPolarHBondContact O-CA 3.32Å; S222-I225 WeakPolarHBondContact O-CB 3.25Å; S222-I225 VanDerWaalsContact O-CG1 3.29Å; S222-I225 WeakPolarHBondContact O-CG1 3.21Å; S222-I225 PolarHBondContact O-N 2.93Å; S222-S226 PolarHBondContact O-N 2.93Å; S222-S226 VanDerWaalsContact O-N 3.07Å; S222-D1332 VanDerWaalsContact C-OD2 3.29Å; S222-D1332 VanDerWaalsContact N-CG 3.27Å; S222-D1332 PolarHBondContact N-OD2 2.97Å; S222-D1332 VanDerWaalsContact O-OD2 3.07Å; S222-D1333 WeakPolarHBondContact CA-OD1 3.23Å; S222-D1333 WeakPolarHBondContact CB-OD1 3.33Å; S222-D1333 PolarHBondContact OG-OD1 3.39Å
223A64.2Low60.1Low31 Ų3191.8 Ų91.826%0.25650%0.5SS..Hα-helixtrans-75.6-4.4176.700000114.6S226 A227 D1332 D1333A223-S226 PolarHBondContact O-N 3.21Å; A223-A227 VanDerWaalsContact O-CB 3.26Å; A223-A227 WeakPolarHBondContact O-CB 3.47Å; A223-A227 PolarHBondContact O-N 2.97Å; A223-D1332 HydrophobicContact CB-CB 4.17Å; A223-D1332 VanDerWaalsContact N-CB 3.28Å; A223-D1333 HydrophobicContact CB-CB 3.45Å; A223-D1333 VanDerWaalsContact CB-CB 3.45Å; A223-D1333 PolarHBondContact N-OD1 3.42Å
224A68.8Low62.2Low68 Ų6888.7 Ų88.756%0.56248%0.483SS*.Hα-helixtrans-57.3-44.5154.300000109.4S222 C228S222-A224 PolarHBondContact O-N 3.26Å; S222-A224 PolarHBondContact OG-N 2.8Å; A224-C228 WeakPolarHBondContact O-CB 3.44Å; A224-C228 PolarHBondContact O-N 3.46Å; A224-C228 VanDerWaalsContact O-N 3.09Å; A224-C228 PolarHBondContact O-SG 2.85Å
225I68.7Low64.3Low82 Ų8289.2 Ų89.242%0.42149%0.485SS..Hα-helixtrans-70.2-37.6173.9-33172000110.7Q221 S222 C228 K229 L1331Q221-I225 HydrophobicContact CB-CD1 4.49Å; S222-I225 CarbonylContact O-C 3.53Å; S222-I225 WeakPolarHBondContact O-CA 3.32Å; S222-I225 WeakPolarHBondContact O-CB 3.25Å; S222-I225 VanDerWaalsContact O-CG1 3.29Å; S222-I225 WeakPolarHBondContact O-CG1 3.21Å; S222-I225 PolarHBondContact O-N 2.93Å; I225-C228 CarbonylContact O-C 3.54Å; I225-C228 WeakPolarHBondContact O-CB 3.38Å; I225-C228 PolarHBondContact O-N 3.19Å; I225-K229 PolarHBondContact O-N 2.74Å; I225-L1331 HydrophobicContact CB-CD1 3.67Å; I225-L1331 HydrophobicContact CB-CD2 4.33Å; I225-L1331 HydrophobicContact CB-CG 4.49Å; I225-L1331 HydrophobicContact CG2-CD1 3.45Å; I225-L1331 VanDerWaalsContact CG2-CD1 3.45Å; I225-L1331 HydrophobicContact CG2-CD2 4.31Å; I225-L1331 WeakPolarHBondContact O-CD1 3.05Å
226S70.8Confident66.4Low28 Ų2885 Ų8520%0.19647%0.473CS..Hα-helixtrans-64.4-48.4177.1-167.60000112.6S222 A223 C228 K229 E230 L1331S222-S226 PolarHBondContact O-N 2.93Å; S222-S226 VanDerWaalsContact O-N 3.07Å; A223-S226 PolarHBondContact O-N 3.21Å; S226-C228 VanDerWaalsContact C-N 3.27Å; S226-C228 PolarHBondContact O-N 3.14Å; S226-K229 PolarHBondContact O-N 2.86Å; S226-E230 PolarHBondContact O-N 3.28Å; S226-L1331 VanDerWaalsContact CB-CB 3.41Å; S226-L1331 WeakPolarHBondContact CB-O 3.13Å; S226-L1331 VanDerWaalsContact OG-C 3.28Å; S226-L1331 PolarHBondContact OG-O 2.88Å
227A73.5Confident68.7Low57 Ų5780.8 Ų80.847%0.47146%0.459SS..Hα-helixtrans-54.8-45.1170.700000110.6A223 K229 E230 E231A223-A227 VanDerWaalsContact O-CB 3.26Å; A223-A227 WeakPolarHBondContact O-CB 3.47Å; A223-A227 PolarHBondContact O-N 2.97Å; A227-K229 VanDerWaalsContact C-N 3.32Å; A227-K229 PolarHBondContact O-N 2.75Å; A227-E230 PolarHBondContact O-N 3.34Å; A227-E231 WeakPolarHBondContact O-CB 3.24Å; A227-E231 PolarHBondContact O-N 3.31Å
228C76.5Confident70.9Confident70 Ų7081.7 Ų81.747%0.47346%0.46SS..Hα-helixtrans-61-32.7173.5-73.10000114.1A224 I225 S226 Q232A224-C228 WeakPolarHBondContact O-CB 3.44Å; A224-C228 PolarHBondContact O-N 3.46Å; A224-C228 VanDerWaalsContact O-N 3.09Å; A224-C228 PolarHBondContact O-SG 2.85Å; I225-C228 CarbonylContact O-C 3.54Å; I225-C228 WeakPolarHBondContact O-CB 3.38Å; I225-C228 PolarHBondContact O-N 3.19Å; S226-C228 VanDerWaalsContact C-N 3.27Å; S226-C228 PolarHBondContact O-N 3.14Å; C228-Q232 VanDerWaalsContact O-CB 3.3Å; C228-Q232 WeakPolarHBondContact O-CB 3.41Å; C228-Q232 WeakPolarHBondContact O-CG 3.33Å; C228-Q232 PolarHBondContact O-N 3.34Å
229K81.2Confident72.9Confident67 Ų6781.2 Ų81.229%0.29145%0.449SS..Hα-helixtrans-75.5-43.1174.4-97.7-162.6176.256.40112.9I225 S226 A227 E231 Q232 R233 D1329 K1330 L1331I225-K229 PolarHBondContact O-N 2.74Å; S226-K229 PolarHBondContact O-N 2.86Å; A227-K229 VanDerWaalsContact C-N 3.32Å; A227-K229 PolarHBondContact O-N 2.75Å; K229-E231 VanDerWaalsContact C-N 3.3Å; K229-Q232 PolarHBondContact O-N 3.01Å; K229-R233 WeakPolarHBondContact O-CB 3.4Å; K229-R233 PolarHBondContact O-N 3.04Å; K229-D1329 VanDerWaalsContact CD-O 3.29Å; K229-D1329 WeakPolarHBondContact CD-O 3.27Å; K229-D1329 WeakPolarHBondContact CE-O 3.44Å; K229-K1330 HydrophobicContact CD-CB 4.07Å; K229-L1331 HydrophobicContact CB-CD1 4.12Å; K229-L1331 HydrophobicContact CD-CD1 3.69Å; K229-L1331 HydrophobicContact CD-CG 4.41Å; K229-L1331 HydrophobicContact CG-CD1 3.83Å
230E74.6Confident74.8Confident84 Ų8482.5 Ų82.539%0.39344%0.441SS..Hα-helixtrans-66.2-36.4176.117961.1-177.900110.6S226 A227 R233 I234S226-E230 PolarHBondContact O-N 3.28Å; A227-E230 PolarHBondContact O-N 3.34Å; E230-R233 VanDerWaalsContact CD-NH2 3.32Å; E230-R233 CarbonylContact O-C 3.56Å; E230-R233 WeakPolarHBondContact O-CB 3.49Å; E230-R233 PolarHBondContact O-N 3.22Å; E230-R233 IonicContact OE1-CZ 3.62Å; E230-R233 IonicContact OE1-NE 2.63Å; E230-R233 IonicContact OE1-NH2 3.03Å; E230-R233 PolarHBondContact OE1-NH2 2.91Å; E230-R233 IonicContact OE2-CZ 3.79Å; E230-R233 IonicContact OE2-NE 3.64Å; E230-R233 PolarHBondContact OE2-NE 3.3Å; E230-R233 IonicContact OE2-NH2 2.72Å; E230-R233 PolarHBondContact OE2-NH2 3.32Å; E230-I234 HydrophobicContact CG-CD1 4.06Å; E230-I234 WeakPolarHBondContact O-CB 3.35Å; E230-I234 VanDerWaalsContact O-CG1 3.24Å; E230-I234 WeakPolarHBondContact O-CG1 3.41Å; E230-I234 PolarHBondContact O-N 3.37Å
231E78.2Confident77Confident132 Ų13281.4 Ų81.462%0.61743%0.428SS*.Hα-helixtrans-70.1-39.6173.1-172.1161.7-158.400112.2A227 K229 R233 I234 Q235A227-E231 WeakPolarHBondContact O-CB 3.24Å; A227-E231 PolarHBondContact O-N 3.31Å; K229-E231 VanDerWaalsContact C-N 3.3Å; E231-R233 VanDerWaalsContact C-N 3.27Å; E231-R233 PolarHBondContact O-N 2.87Å; E231-I234 PolarHBondContact O-N 3.38Å; E231-Q235 VanDerWaalsContact O-CB 3.3Å; E231-Q235 WeakPolarHBondContact O-CB 3.44Å; E231-Q235 PolarHBondContact O-N 3.02Å
232Q86.1Confident78.7Confident131 Ų13180.4 Ų80.461%0.61243%0.431SS*.Hα-helixtrans-59.5-37.9167.8-80.9176.14.900112C228 K229 A236C228-Q232 VanDerWaalsContact O-CB 3.3Å; C228-Q232 WeakPolarHBondContact O-CB 3.41Å; C228-Q232 WeakPolarHBondContact O-CG 3.33Å; C228-Q232 PolarHBondContact O-N 3.34Å; K229-Q232 PolarHBondContact O-N 3.01Å; Q232-A236 VanDerWaalsContact O-CB 3.27Å; Q232-A236 WeakPolarHBondContact O-CB 3.48Å; Q232-A236 PolarHBondContact O-N 3.49Å
233R87Confident80.3Confident121 Ų12183.1 Ų83.146%0.45744%0.441SS..Hα-helixtrans-69.7-41.3176.6-162.8-170.267.170.13.6111.8K229 E230 E231 A236 V237K229-R233 WeakPolarHBondContact O-CB 3.4Å; K229-R233 PolarHBondContact O-N 3.04Å; E230-R233 VanDerWaalsContact CD-NH2 3.32Å; E230-R233 CarbonylContact O-C 3.56Å; E230-R233 WeakPolarHBondContact O-CB 3.49Å; E230-R233 PolarHBondContact O-N 3.22Å; E230-R233 IonicContact OE1-CZ 3.62Å; E230-R233 IonicContact OE1-NE 2.63Å; E230-R233 IonicContact OE1-NH2 3.03Å; E230-R233 PolarHBondContact OE1-NH2 2.91Å; E230-R233 IonicContact OE2-CZ 3.79Å; E230-R233 IonicContact OE2-NE 3.64Å; E230-R233 PolarHBondContact OE2-NE 3.3Å; E230-R233 IonicContact OE2-NH2 2.72Å; E230-R233 PolarHBondContact OE2-NH2 3.32Å; E231-R233 VanDerWaalsContact C-N 3.27Å; E231-R233 PolarHBondContact O-N 2.87Å; R233-A236 PolarHBondContact O-N 2.8Å; R233-V237 WeakPolarHBondContact O-CG2 3.37Å; R233-V237 PolarHBondContact O-N 3.1Å
234I82.5Confident81.3Confident76 Ų7683.1 Ų83.139%0.3944%0.436SS..Hα-helixtrans-63.5-49.6174.3-71.3162.6000109.9E230 E231 A236 V237 E238E230-I234 HydrophobicContact CG-CD1 4.06Å; E230-I234 WeakPolarHBondContact O-CB 3.35Å; E230-I234 VanDerWaalsContact O-CG1 3.24Å; E230-I234 WeakPolarHBondContact O-CG1 3.41Å; E230-I234 PolarHBondContact O-N 3.37Å; E231-I234 PolarHBondContact O-N 3.38Å; I234-A236 VanDerWaalsContact C-N 3.29Å; I234-A236 PolarHBondContact O-N 3.45Å; I234-V237 CarbonylContact O-C 3.57Å; I234-V237 WeakPolarHBondContact O-CA 3.31Å; I234-V237 WeakPolarHBondContact O-CB 3.46Å; I234-V237 PolarHBondContact O-N 3.05Å; I234-E238 PolarHBondContact O-N 2.91Å
235Q84.7Confident82.2Confident104 Ų10481.8 Ų81.849%0.48642%0.424SS..Hα-helixtrans-65.1-32179.5-161.7-156.180.100112.4E231 R239E231-Q235 VanDerWaalsContact O-CB 3.3Å; E231-Q235 WeakPolarHBondContact O-CB 3.44Å; E231-Q235 PolarHBondContact O-N 3.02Å; Q235-R239 WeakPolarHBondContact O-CB 3.38Å; Q235-R239 WeakPolarHBondContact O-CG 3.27Å; Q235-R239 PolarHBondContact O-N 3.45Å
236A85.7Confident83.1Confident44 Ų4485 Ų8536%0.36443%0.431SS..Hα-helixtrans-65.4-43.6169.600000111.6Q232 R233 I234 R239 E240Q232-A236 VanDerWaalsContact O-CB 3.27Å; Q232-A236 WeakPolarHBondContact O-CB 3.48Å; Q232-A236 PolarHBondContact O-N 3.49Å; R233-A236 PolarHBondContact O-N 2.8Å; I234-A236 VanDerWaalsContact C-N 3.29Å; I234-A236 PolarHBondContact O-N 3.45Å; A236-R239 CarbonylContact O-C 3.47Å; A236-R239 PolarHBondContact O-N 3.36Å; A236-E240 PolarHBondContact O-N 3.3Å
237V89Confident83.7Confident60 Ų6086.4 Ų86.436%0.36444%0.435SS..Hα-helixtrans-67.6-32.8175.2169.70000112R233 I234 E240 N241R233-V237 WeakPolarHBondContact O-CG2 3.37Å; R233-V237 PolarHBondContact O-N 3.1Å; I234-V237 CarbonylContact O-C 3.57Å; I234-V237 WeakPolarHBondContact O-CA 3.31Å; I234-V237 WeakPolarHBondContact O-CB 3.46Å; I234-V237 PolarHBondContact O-N 3.05Å; V237-E240 CarbonylContact O-C 2.87Å; V237-E240 VanDerWaalsContact O-C 3.28Å; V237-E240 PolarHBondContact O-N 2.88Å; V237-N241 PolarHBondContact O-N 3.07Å; V237-N241 PolarHBondContact O-ND2 2.92Å
238E85Confident84.4Confident127 Ų12786.5 Ų86.559%0.59343%0.428SS*.Hα-helixtrans-68.4-39.3171.3-71.2-168.6153.200111.4I234 E240 N241 A242I234-E238 PolarHBondContact O-N 2.91Å; E238-E240 VanDerWaalsContact C-N 3.28Å; E238-E240 PolarHBondContact O-N 3.4Å; E238-N241 CarbonylContact O-C 3.28Å; E238-N241 VanDerWaalsContact O-C 3.23Å; E238-N241 WeakPolarHBondContact O-CA 3.23Å; E238-N241 PolarHBondContact O-N 2.73Å; E238-A242 WeakPolarHBondContact O-CB 3.22Å; E238-A242 PolarHBondContact O-N 2.82Å
239R88.6Confident84.9Confident135 Ų13588.8 Ų88.851%0.50943%0.434SS..Hα-helixtrans-65.3-27.4169.4-76-175.5-85.5115.7-9113Q235 A236 A242 I243Q235-R239 WeakPolarHBondContact O-CB 3.38Å; Q235-R239 WeakPolarHBondContact O-CG 3.27Å; Q235-R239 PolarHBondContact O-N 3.45Å; A236-R239 CarbonylContact O-C 3.47Å; A236-R239 PolarHBondContact O-N 3.36Å; R239-A242 CarbonylContact O-C 3.49Å; R239-A242 WeakPolarHBondContact O-CA 3.27Å; R239-A242 PolarHBondContact O-N 3.49Å; R239-I243 PolarHBondContact O-N 3.38Å
240E83.3Confident85.2Confident79 Ų7989.8 Ų89.837%0.36944%0.442SS..THydrogen-bonded Turntrans-87.9-1.5168.1-157.3176.6-154.900113.2A236 V237 E238 A242 G1319A236-E240 PolarHBondContact O-N 3.3Å; V237-E240 CarbonylContact O-C 2.87Å; V237-E240 VanDerWaalsContact O-C 3.28Å; V237-E240 PolarHBondContact O-N 2.88Å; E238-E240 VanDerWaalsContact C-N 3.28Å; E238-E240 PolarHBondContact O-N 3.4Å; E240-A242 VanDerWaalsContact C-N 3.25Å; E240-G1319 WeakPolarHBondContact O-CA 3.33Å; E240-G1319 PolarHBondContact O-N 2.74Å
241N86.8Confident86Confident109 Ų10988.9 Ų88.958%0.58344%0.437SS*.THydrogen-bonded Turntrans-96.611153.7-70.5-85.5000110.5V237 E238 C1317 L1318V237-N241 PolarHBondContact O-N 3.07Å; V237-N241 PolarHBondContact O-ND2 2.92Å; E238-N241 CarbonylContact O-C 3.28Å; E238-N241 VanDerWaalsContact O-C 3.23Å; E238-N241 WeakPolarHBondContact O-CA 3.23Å; E238-N241 PolarHBondContact O-N 2.73Å; N241-C1317 CarbonylContact O-C 3.23Å; N241-L1318 CarbonylContact C-O 3.54Å; N241-L1318 WeakPolarHBondContact CA-O 3.45Å; N241-L1318 CarbonylContact O-C 3.6Å; N241-L1318 PolarHBondContact O-N 3.13Å
242A83.6Confident86.3Confident44 Ų4484.9 Ų84.936%0.36443%0.426SS..SBendtrans-135.830.817400000114.6E238 R239 E240 L1318E238-A242 WeakPolarHBondContact O-CB 3.22Å; E238-A242 PolarHBondContact O-N 2.82Å; R239-A242 CarbonylContact O-C 3.49Å; R239-A242 WeakPolarHBondContact O-CA 3.27Å; R239-A242 PolarHBondContact O-N 3.49Å; E240-A242 VanDerWaalsContact C-N 3.25Å; A242-L1318 VanDerWaalsContact C-C 3.45Å; A242-L1318 VanDerWaalsContact CA-CA 3.43Å; A242-L1318 VanDerWaalsContact N-C 3.32Å; A242-L1318 PolarHBondContact N-O 2.72Å; A242-L1318 WeakPolarHBondContact O-CB 3.3Å
243I86.9Confident86.4Confident96 Ų9682.3 Ų82.349%0.49242%0.417SS..SBendtrans-123.30158.8-76.7179000127.7R239 L1318 G1319 S1320R239-I243 PolarHBondContact O-N 3.38Å; I243-L1318 HydrophobicContact CB-CD1 4.24Å; I243-L1318 HydrophobicContact CG1-CD1 4.16Å; I243-L1318 WeakPolarHBondContact O-CD1 3.47Å; I243-L1318 WeakPolarHBondContact O-CD2 3.49Å; I243-L1318 WeakPolarHBondContact O-CG 3.24Å; I243-G1319 VanDerWaalsContact C-C 3.42Å; I243-G1319 VanDerWaalsContact CB-CA 3.46Å; I243-S1320 PolarHBondContact O-N 2.95Å
244H86.8Confident86.4Confident32 Ų3281.5 Ų81.515%0.14842%0.42CS..BIsolated β-bridge0-106.10-81.227.8000129.6R246 E247 D248 K251 L1318 G1319 S1320H244-R246 CarbonylContact O-C 3.53Å; H244-R246 PolarHBondContact O-N 2.85Å; H244-E247 VanDerWaalsContact CA-OE2 3.28Å; H244-E247 WeakPolarHBondContact CA-OE2 3.21Å; H244-E247 IonicContact CE1-OE2 3.26Å; H244-E247 IonicContact CG-OE2 3.91Å; H244-E247 PolarHBondContact N-OE2 2.71Å; H244-E247 IonicContact ND1-OE2 2.91Å; H244-E247 PolarHBondContact ND1-OE2 3.44Å; H244-E247 CarbonylContact O-C 2.96Å; H244-E247 WeakPolarHBondContact O-CA 3.34Å; H244-E247 WeakPolarHBondContact O-CB 3.25Å; H244-E247 PolarHBondContact O-N 2.75Å; H244-D248 IonicContact CD2-OD2 2.63Å; H244-D248 IonicContact CG-OD2 2.82Å; H244-D248 PolarHBondContact O-N 2.67Å; H244-K251 PolarHBondContact CE1-NZ 3.27Å; H244-K251 PolarHBondContact ND1-NZ 3.16Å; H244-K251 PolarHBondContact NE2-NZ 3.15Å; H244-L1318 CarbonylContact C-O 3.6Å; H244-L1318 WeakPolarHBondContact CA-O 3.46Å; H244-G1319 VanDerWaalsContact CA-C 3.46Å; H244-G1319 VanDerWaalsContact CA-CA 3.45Å; H244-G1319 VanDerWaalsContact CB-CA 3.48Å; H244-G1319 WeakPolarHBondContact CB-O 3.06Å; H244-S1320 PolarHBondContact CE1-OG 2.74Å; H244-S1320 WeakPolarHBondContact ND1-CA 3.48Å; H244-S1320 PolarHBondContact ND1-N 2.8Å; H244-S1320 PolarHBondContact ND1-OG 2.9Å; H244-S1320 VanDerWaalsContact ND1-OG 3.07Å
245A86.4Confident86.5Confident39 Ų3984 Ų8432%0.32242%0.424SS..Hα-helixtrans-51.9-23.6-173.700000116.8D248 L249 C1317 L1318A245-D248 PolarHBondContact O-N 3.4Å; A245-L249 PolarHBondContact O-N 3.48Å; A245-C1317 HydrophobicContact CB-CB 4.15Å; A245-C1317 PolarHBondContact O-SG 3.04Å; A245-C1317 VanDerWaalsContact O-SG 3.4Å; A245-L1318 VanDerWaalsContact N-N 3.11Å; A245-L1318 PolarHBondContact N-O 2.73Å
246R87.8Confident86.7Confident150 Ų15080.5 Ų80.557%0.56642%0.416SS*.Hα-helixtrans-78.2-28.6163.5149-173.3177.1-146.21.6113.2H244 D248 L249 I250 C1317 L1318H244-R246 CarbonylContact O-C 3.53Å; H244-R246 PolarHBondContact O-N 2.85Å; R246-D248 VanDerWaalsContact C-N 3.31Å; R246-L249 WeakPolarHBondContact O-CB 3.47Å; R246-L249 PolarHBondContact O-N 3.32Å; R246-I250 HydrophobicContact CG-CD1 4.06Å; R246-I250 WeakPolarHBondContact O-CB 3.34Å; R246-I250 WeakPolarHBondContact O-CD1 3.46Å; R246-I250 WeakPolarHBondContact O-CG1 3.14Å; R246-I250 PolarHBondContact O-N 3.27Å; R246-C1317 HydrophobicContact CB-CB 3.73Å; R246-C1317 VanDerWaalsContact N-CB 3.35Å; R246-L1318 HydrophobicContact CB-CB 4.11Å; R246-L1318 HydrophobicContact CB-CD2 3.88Å; R246-L1318 HydrophobicContact CB-CG 3.86Å; R246-L1318 HydrophobicContact CG-CD2 4Å; R246-L1318 HydrophobicContact CG-CG 4.11Å
247E84.4Confident86.7Confident57 Ų5781.2 Ų81.227%0.26641%0.409SS..Hα-helixtrans-67.4-32.1165.2-114.4177.5150.300109.8H244 I250 K251 L1318 S1320H244-E247 VanDerWaalsContact CA-OE2 3.28Å; H244-E247 WeakPolarHBondContact CA-OE2 3.21Å; H244-E247 IonicContact CE1-OE2 3.26Å; H244-E247 IonicContact CG-OE2 3.91Å; H244-E247 PolarHBondContact N-OE2 2.71Å; H244-E247 IonicContact ND1-OE2 2.91Å; H244-E247 PolarHBondContact ND1-OE2 3.44Å; H244-E247 CarbonylContact O-C 2.96Å; H244-E247 WeakPolarHBondContact O-CA 3.34Å; H244-E247 WeakPolarHBondContact O-CB 3.25Å; H244-E247 PolarHBondContact O-N 2.75Å; E247-I250 PolarHBondContact O-N 2.92Å; E247-K251 WeakPolarHBondContact O-CB 3.4Å; E247-K251 WeakPolarHBondContact O-CD 3.45Å; E247-K251 WeakPolarHBondContact O-CE 3.44Å; E247-K251 WeakPolarHBondContact O-CG 3.45Å; E247-K251 PolarHBondContact O-N 3.07Å; E247-L1318 HydrophobicContact CB-CD2 3.5Å; E247-L1318 VanDerWaalsContact CB-CD2 3.5Å; E247-L1318 HydrophobicContact CG-CD2 3.76Å; E247-S1320 WeakPolarHBondContact OE1-CB 3.23Å; E247-S1320 PolarHBondContact OE1-OG 2.84Å; E247-S1320 WeakPolarHBondContact OE2-CB 3.37Å; E247-S1320 PolarHBondContact OE2-OG 3.14Å
248D87.8Confident86.5Confident60 Ų6083.8 Ų83.832%0.32142%0.417SS..Hα-helixtrans-76.5-31.8172.9-66.1-41.6000111.4H244 A245 R246 K251 A252 R255H244-D248 IonicContact CD2-OD2 2.63Å; H244-D248 IonicContact CG-OD2 2.82Å; H244-D248 PolarHBondContact O-N 2.67Å; A245-D248 PolarHBondContact O-N 3.4Å; R246-D248 VanDerWaalsContact C-N 3.31Å; D248-K251 WeakPolarHBondContact OD1-CD 3.43Å; D248-K251 IonicContact OD1-NZ 2.63Å; D248-K251 PolarHBondContact OD1-NZ 2.97Å; D248-A252 WeakPolarHBondContact O-CA 3.26Å; D248-A252 WeakPolarHBondContact O-CB 3.39Å; D248-A252 PolarHBondContact O-N 2.86Å; D248-R255 PolarHBondContact O-NH2 3.31Å
249L87Confident86.6Confident117 Ų11779.8 Ų79.861%0.61341%0.406SS*.Hα-helixtrans-63.9-45.7164.8-174.165.7000111.2A245 R246 A252 D253A245-L249 PolarHBondContact O-N 3.48Å; R246-L249 WeakPolarHBondContact O-CB 3.47Å; R246-L249 PolarHBondContact O-N 3.32Å; L249-A252 WeakPolarHBondContact O-CB 3.45Å; L249-A252 PolarHBondContact O-N 2.86Å; L249-D253 PolarHBondContact O-N 3.15Å
250I86.8Confident86.4Confident89 Ų8979 Ų7946%0.45641%0.41SS..Hα-helixtrans-64.7-45174.8-70.3159.9000110.9R246 E247 A252 D253 M254R246-I250 HydrophobicContact CG-CD1 4.06Å; R246-I250 WeakPolarHBondContact O-CB 3.34Å; R246-I250 WeakPolarHBondContact O-CD1 3.46Å; R246-I250 WeakPolarHBondContact O-CG1 3.14Å; R246-I250 PolarHBondContact O-N 3.27Å; E247-I250 PolarHBondContact O-N 2.92Å; I250-A252 VanDerWaalsContact C-N 3.28Å; I250-A252 PolarHBondContact O-N 2.91Å; I250-D253 PolarHBondContact O-N 2.87Å; I250-M254 HydrophobicContact CG2-CG 4.42Å; I250-M254 VanDerWaalsContact O-CB 3.31Å; I250-M254 WeakPolarHBondContact O-CB 3.16Å; I250-M254 VanDerWaalsContact O-CG 3.27Å; I250-M254 WeakPolarHBondContact O-CG 3.26Å; I250-M254 PolarHBondContact O-N 2.86Å
251K91.5Very high86.5Confident64 Ų6479.6 Ų79.628%0.27841%0.408SS..Hα-helixtrans-62.1-35.7172.5-71.5164.1-136.2158.10110.5H244 E247 D248 R255H244-K251 PolarHBondContact CE1-NZ 3.27Å; H244-K251 PolarHBondContact ND1-NZ 3.16Å; H244-K251 PolarHBondContact NE2-NZ 3.15Å; E247-K251 WeakPolarHBondContact O-CB 3.4Å; E247-K251 WeakPolarHBondContact O-CD 3.45Å; E247-K251 WeakPolarHBondContact O-CE 3.44Å; E247-K251 WeakPolarHBondContact O-CG 3.45Å; E247-K251 PolarHBondContact O-N 3.07Å; D248-K251 WeakPolarHBondContact OD1-CD 3.43Å; D248-K251 IonicContact OD1-NZ 2.63Å; D248-K251 PolarHBondContact OD1-NZ 2.97Å; K251-R255 WeakPolarHBondContact O-CB 3.39Å; K251-R255 WeakPolarHBondContact O-CG 3.42Å; K251-R255 PolarHBondContact O-N 2.96Å; K251-R255 PolarHBondContact O-NE 2.86Å
252A85.6Confident86.5Confident48 Ų4878.6 Ų78.640%0.39740%0.399SS..Hα-helixtrans-69.5-43.1176.700000111.3D248 L249 I250 R255 G256D248-A252 WeakPolarHBondContact O-CA 3.26Å; D248-A252 WeakPolarHBondContact O-CB 3.39Å; D248-A252 PolarHBondContact O-N 2.86Å; L249-A252 WeakPolarHBondContact O-CB 3.45Å; L249-A252 PolarHBondContact O-N 2.86Å; I250-A252 VanDerWaalsContact C-N 3.28Å; I250-A252 PolarHBondContact O-N 2.91Å; A252-R255 PolarHBondContact O-N 2.79Å; A252-G256 PolarHBondContact O-N 2.7Å
253D87.3Confident86.5Confident77 Ų7779.5 Ų79.541%0.41240%0.396SS..Hα-helixtrans-65.2-44.9174-169.348.8000111.2L249 I250 R255 G256 R257L249-D253 PolarHBondContact O-N 3.15Å; I250-D253 PolarHBondContact O-N 2.87Å; D253-R255 PolarHBondContact O-N 3.4Å; D253-G256 CarbonylContact O-C 3.51Å; D253-G256 WeakPolarHBondContact O-CA 3.35Å; D253-G256 PolarHBondContact O-N 3.18Å; D253-R257 WeakPolarHBondContact O-CG 3.46Å; D253-R257 PolarHBondContact O-N 2.91Å; D253-R257 IonicContact OD1-NE 4Å; D253-R257 IonicContact OD2-CZ 2.6Å; D253-R257 IonicContact OD2-NE 2.8Å; D253-R257 PolarHBondContact OD2-NE 3.32Å; D253-R257 IonicContact OD2-NH2 2.73Å; D253-R257 PolarHBondContact OD2-NH2 3.21Å
254M86Confident86.4Confident105 Ų10578 Ų7852%0.51738%0.384SS..Hα-helixtrans-59.8-43.5174-74.8-67.8-79.500112.6I250 G256 Q258I250-M254 HydrophobicContact CG2-CG 4.42Å; I250-M254 VanDerWaalsContact O-CB 3.31Å; I250-M254 WeakPolarHBondContact O-CB 3.16Å; I250-M254 VanDerWaalsContact O-CG 3.27Å; I250-M254 WeakPolarHBondContact O-CG 3.26Å; I250-M254 PolarHBondContact O-N 2.86Å; M254-G256 VanDerWaalsContact C-N 3.32Å; M254-G256 PolarHBondContact O-N 2.77Å; M254-Q258 VanDerWaalsContact O-CB 3.26Å; M254-Q258 WeakPolarHBondContact O-CB 3.38Å; M254-Q258 PolarHBondContact O-N 2.87Å
255R86.5Confident86.2Confident128 Ų12881.2 Ų81.248%0.48341%0.406SS..Hα-helixtrans-63-38172-75.9172.6-68.8-160.92.3111.2D248 K251 A252 D253 A259D248-R255 PolarHBondContact O-NH2 3.31Å; K251-R255 WeakPolarHBondContact O-CB 3.39Å; K251-R255 WeakPolarHBondContact O-CG 3.42Å; K251-R255 PolarHBondContact O-N 2.96Å; K251-R255 PolarHBondContact O-NE 2.86Å; A252-R255 PolarHBondContact O-N 2.79Å; D253-R255 PolarHBondContact O-N 3.4Å; R255-A259 VanDerWaalsContact O-CB 3.25Å; R255-A259 WeakPolarHBondContact O-CB 3.38Å; R255-A259 PolarHBondContact O-N 3.39Å
256G88.1Confident86.2Confident31 Ų3186.1 Ų86.132%0.3242%0.416SS..Hα-helixtrans-64.2-53.8175.200000113A252 D253 M254 Q258 A259 M260A252-G256 PolarHBondContact O-N 2.7Å; D253-G256 CarbonylContact O-C 3.51Å; D253-G256 WeakPolarHBondContact O-CA 3.35Å; D253-G256 PolarHBondContact O-N 3.18Å; M254-G256 VanDerWaalsContact C-N 3.32Å; M254-G256 PolarHBondContact O-N 2.77Å; G256-Q258 VanDerWaalsContact C-N 3.3Å; G256-Q258 PolarHBondContact O-N 3.06Å; G256-A259 PolarHBondContact O-N 3.44Å; G256-M260 WeakPolarHBondContact O-CB 3.36Å; G256-M260 WeakPolarHBondContact O-CG 3.46Å; G256-M260 PolarHBondContact O-N 2.94Å
257R86.5Confident86.1Confident59 Ų5984.2 Ų84.222%0.22341%0.413CS..Hα-helixtrans-55.6-44.2173.5-67.2-177.7-162.8-118.6-9.5111D253 M260 R261 E342D253-R257 WeakPolarHBondContact O-CG 3.46Å; D253-R257 PolarHBondContact O-N 2.91Å; D253-R257 IonicContact OD1-NE 4Å; D253-R257 IonicContact OD2-CZ 2.6Å; D253-R257 IonicContact OD2-NE 2.8Å; D253-R257 PolarHBondContact OD2-NE 3.32Å; D253-R257 IonicContact OD2-NH2 2.73Å; D253-R257 PolarHBondContact OD2-NH2 3.21Å; R257-M260 PolarHBondContact O-N 3.42Å; R257-R261 WeakPolarHBondContact O-CB 3.27Å; R257-R261 VanDerWaalsContact O-CG 3.28Å; R257-R261 WeakPolarHBondContact O-CG 3.4Å; R257-R261 PolarHBondContact O-N 2.87Å; R257-E342 IonicContact CZ-OE2 2.85Å; R257-E342 IonicContact NE-OE2 3.78Å; R257-E342 IonicContact NH1-OE2 3.81Å; R257-E342 PolarHBondContact NH1-OE2 2.95Å
258Q84.7Confident85.9Confident113 Ų11385 Ų8553%0.52842%0.415SS..Hα-helixtrans-67.1-41.1178.1-165.9-178.733.300112.5M254 G256 R261 K262M254-Q258 VanDerWaalsContact O-CB 3.26Å; M254-Q258 WeakPolarHBondContact O-CB 3.38Å; M254-Q258 PolarHBondContact O-N 2.87Å; G256-Q258 VanDerWaalsContact C-N 3.3Å; G256-Q258 PolarHBondContact O-N 3.06Å; Q258-R261 PolarHBondContact O-N 3.28Å; Q258-K262 WeakPolarHBondContact O-CG 3.47Å; Q258-K262 PolarHBondContact O-N 3.44Å
259A86.6Confident85.7Confident44 Ų4488.8 Ų88.836%0.36443%0.425SS..Hα-helixtrans-63.8-43.5174.200000111.6R255 G256 R261 K262 E263R255-A259 VanDerWaalsContact O-CB 3.25Å; R255-A259 WeakPolarHBondContact O-CB 3.38Å; R255-A259 PolarHBondContact O-N 3.39Å; G256-A259 PolarHBondContact O-N 3.44Å; A259-R261 PolarHBondContact O-N 2.84Å; A259-K262 PolarHBondContact O-N 3.07Å; A259-E263 WeakPolarHBondContact O-CB 3.47Å; A259-E263 PolarHBondContact O-N 3.07Å
260M83.6Confident85.7Confident119 Ų11987.5 Ų87.559%0.58642%0.416SS*.Hα-helixtrans-64.5-36.9175.6-73.6-63.9-67.700112.8G256 R257 R264G256-M260 WeakPolarHBondContact O-CB 3.36Å; G256-M260 WeakPolarHBondContact O-CG 3.46Å; G256-M260 PolarHBondContact O-N 2.94Å; R257-M260 PolarHBondContact O-N 3.42Å; M260-R264 WeakPolarHBondContact O-CB 3.24Å; M260-R264 WeakPolarHBondContact O-CG 3.11Å; M260-R264 PolarHBondContact O-N 3.38Å
261R85.2Confident85.6Confident90 Ų9085.6 Ų85.634%0.3441%0.413SS..Hα-helixtrans-66.7-43.5172.8-73.9170.8-176.9147.82.6111.4R257 Q258 A259 R264 V265 D338R257-R261 WeakPolarHBondContact O-CB 3.27Å; R257-R261 VanDerWaalsContact O-CG 3.28Å; R257-R261 WeakPolarHBondContact O-CG 3.4Å; R257-R261 PolarHBondContact O-N 2.87Å; Q258-R261 PolarHBondContact O-N 3.28Å; A259-R261 PolarHBondContact O-N 2.84Å; R261-R264 PolarHBondContact O-N 3.3Å; R261-V265 WeakPolarHBondContact O-CG2 3.48Å; R261-V265 PolarHBondContact O-N 3.21Å; R261-D338 IonicContact CZ-OD2 2.72Å; R261-D338 IonicContact NE-OD2 2.57Å; R261-D338 IonicContact NH2-OD2 3.94Å; R261-D338 PolarHBondContact NH2-OD2 2.73Å
262K86.3Confident85.1Confident89 Ų8983.4 Ų83.439%0.38741%0.405SS..Hα-helixtrans-61.1-44.8173.1-79.2-175.2168.3-173.90112.4Q258 A259 V265 R266 S1453Q258-K262 WeakPolarHBondContact O-CG 3.47Å; Q258-K262 PolarHBondContact O-N 3.44Å; A259-K262 PolarHBondContact O-N 3.07Å; K262-V265 PolarHBondContact O-N 3.19Å; K262-R266 WeakPolarHBondContact O-CB 3.05Å; K262-R266 PolarHBondContact O-N 2.82Å; K262-S1453 VanDerWaalsContact NZ-CB 3.26Å; K262-S1453 PolarHBondContact NZ-OG 2.6Å
263E85.6Confident85.1Confident63 Ų6384.3 Ų84.329%0.29440%0.402SS..Hα-helixtrans-66.7-41.7179.6179.156.5-162.500111.8A259 V265 R266 Q267A259-E263 WeakPolarHBondContact O-CB 3.47Å; A259-E263 PolarHBondContact O-N 3.07Å; E263-V265 PolarHBondContact O-N 3.39Å; E263-R266 VanDerWaalsContact CD-NH2 3.29Å; E263-R266 PolarHBondContact O-N 3.37Å; E263-R266 IonicContact OE1-CZ 2.78Å; E263-R266 IonicContact OE1-NE 3.97Å; E263-R266 IonicContact OE1-NH2 2.69Å; E263-R266 PolarHBondContact OE1-NH2 3.37Å; E263-R266 IonicContact OE2-CZ 3.51Å; E263-R266 VanDerWaalsContact OE2-CZ 3.29Å; E263-R266 IonicContact OE2-NE 2.8Å; E263-R266 PolarHBondContact OE2-NE 3.33Å; E263-R266 IonicContact OE2-NH2 3.23Å; E263-R266 PolarHBondContact OE2-NH2 3.45Å; E263-Q267 WeakPolarHBondContact O-CB 3.41Å; E263-Q267 WeakPolarHBondContact O-CG 3.3Å; E263-Q267 PolarHBondContact O-N 3.07Å; E263-Q267 WeakPolarHBondContact OE1-CG 3.2Å; E263-Q267 PolarHBondContact OE1-NE2 3.16Å
264R83.3Confident85.1Confident63 Ų6384.9 Ų84.924%0.23841%0.406CS..Hα-helixtrans-53.4-52169.3-82.9-170.3-87.6-175.7-4110.8M260 R261 R266 Q267 Y268 E334 D338M260-R264 WeakPolarHBondContact O-CB 3.24Å; M260-R264 WeakPolarHBondContact O-CG 3.11Å; M260-R264 PolarHBondContact O-N 3.38Å; R261-R264 PolarHBondContact O-N 3.3Å; R264-R266 PolarHBondContact O-N 2.82Å; R264-Q267 PolarHBondContact O-N 2.86Å; R264-Y268 HydrophobicContact CB-CE2 4.21Å; R264-Y268 WeakPolarHBondContact O-CD2 3.17Å; R264-Y268 PolarHBondContact O-N 2.94Å; R264-E334 VanDerWaalsContact CD-OE2 3.26Å; R264-E334 WeakPolarHBondContact CD-OE2 3.47Å; R264-E334 IonicContact CZ-OE2 3.94Å; R264-E334 IonicContact NE-OE2 3.38Å; R264-E334 IonicContact NH1-OE2 3.62Å; R264-E334 PolarHBondContact NH1-OE2 2.89Å; R264-D338 IonicContact CZ-OD2 3.42Å; R264-D338 IonicContact NH2-OD1 2.7Å; R264-D338 IonicContact NH2-OD2 3.66Å; R264-D338 PolarHBondContact NH2-OD2 2.81Å
265V83.6Confident84.8Confident100 Ų10085.6 Ų85.661%0.60640%0.403SS*.Hα-helixtrans-60.9-41.8178.5171.70000112.3R261 K262 E263 Y268 Y269R261-V265 WeakPolarHBondContact O-CG2 3.48Å; R261-V265 PolarHBondContact O-N 3.21Å; K262-V265 PolarHBondContact O-N 3.19Å; E263-V265 PolarHBondContact O-N 3.39Å; V265-Y268 PolarHBondContact O-N 2.75Å; V265-Y269 WeakPolarHBondContact O-CB 3.49Å; V265-Y269 PolarHBondContact O-N 3.47Å
266R86.7Confident84.6Confident143 Ų14382.1 Ų82.154%0.5439%0.393SS..Hα-helixtrans-63.1-41.5177.1-166.5-172.869.785.54.2111.9K262 E263 R264 Y269 Q270K262-R266 WeakPolarHBondContact O-CB 3.05Å; K262-R266 PolarHBondContact O-N 2.82Å; E263-R266 VanDerWaalsContact CD-NH2 3.29Å; E263-R266 PolarHBondContact O-N 3.37Å; E263-R266 IonicContact OE1-CZ 2.78Å; E263-R266 IonicContact OE1-NE 3.97Å; E263-R266 IonicContact OE1-NH2 2.69Å; E263-R266 PolarHBondContact OE1-NH2 3.37Å; E263-R266 IonicContact OE2-CZ 3.51Å; E263-R266 VanDerWaalsContact OE2-CZ 3.29Å; E263-R266 IonicContact OE2-NE 2.8Å; E263-R266 PolarHBondContact OE2-NE 3.33Å; E263-R266 IonicContact OE2-NH2 3.23Å; E263-R266 PolarHBondContact OE2-NH2 3.45Å; R264-R266 PolarHBondContact O-N 2.82Å; R266-Y269 PolarHBondContact O-N 3.14Å; R266-Q270 WeakPolarHBondContact O-CB 3.23Å; R266-Q270 PolarHBondContact O-N 3.26Å
267Q85.6Confident84.6Confident110 Ų11083.6 Ų83.651%0.51439%0.394SS..Hα-helixtrans-65.9-44.8175.5-70.9179.717.400111.9E263 R264 Q270 A271E263-Q267 WeakPolarHBondContact O-CB 3.41Å; E263-Q267 WeakPolarHBondContact O-CG 3.3Å; E263-Q267 PolarHBondContact O-N 3.07Å; E263-Q267 WeakPolarHBondContact OE1-CG 3.2Å; E263-Q267 PolarHBondContact OE1-NE2 3.16Å; R264-Q267 PolarHBondContact O-N 2.86Å; Q267-Q270 PolarHBondContact O-N 3.03Å; Q267-A271 WeakPolarHBondContact O-CB 3.46Å; Q267-A271 PolarHBondContact O-N 2.77Å
268Y80.5Confident84.5Confident74 Ų7484.7 Ų84.729%0.2940%0.401SS..Hα-helixtrans-63.1-41174.9-69.1-55.6000112.4R264 V265 A271 L272 E334R264-Y268 HydrophobicContact CB-CE2 4.21Å; R264-Y268 WeakPolarHBondContact O-CD2 3.17Å; R264-Y268 PolarHBondContact O-N 2.94Å; V265-Y268 PolarHBondContact O-N 2.75Å; Y268-A271 PolarHBondContact O-N 3.47Å; Y268-L272 WeakPolarHBondContact O-CB 3.48Å; Y268-L272 PolarHBondContact O-N 3.16Å; Y268-E334 PolarHBondContact OH-OE1 3.04Å
269Y82Confident84.3Confident138 Ų13881.5 Ų81.554%0.54139%0.39SS..Hα-helixtrans-63.1-42.6175.2-178.1-109.3000111.9V265 R266 A271 L272 L273V265-Y269 WeakPolarHBondContact O-CB 3.49Å; V265-Y269 PolarHBondContact O-N 3.47Å; R266-Y269 PolarHBondContact O-N 3.14Å; Y269-A271 VanDerWaalsContact C-N 3.34Å; Y269-A271 PolarHBondContact O-N 3.38Å; Y269-L272 PolarHBondContact O-N 2.97Å; Y269-L273 HydrophobicContact CD1-CD1 4.05Å; Y269-L273 HydrophobicContact CD1-CG 4.47Å; Y269-L273 HydrophobicContact CE1-CD1 3.51Å; Y269-L273 HydrophobicContact CE1-CG 4.1Å; Y269-L273 HydrophobicContact CE2-CG 4.41Å; Y269-L273 WeakPolarHBondContact O-CG 3.31Å; Y269-L273 PolarHBondContact O-N 3.15Å
270Q87.8Confident84.2Confident91 Ų9185.2 Ų85.243%0.42540%0.397SS..Hα-helixtrans-64.5-37.8174.5-172.761.76200112.1R266 Q267 L273 N274R266-Q270 WeakPolarHBondContact O-CB 3.23Å; R266-Q270 PolarHBondContact O-N 3.26Å; Q267-Q270 PolarHBondContact O-N 3.03Å; Q270-L273 PolarHBondContact O-N 3.31Å; Q270-N274 PolarHBondContact NE2-OD1 2.95Å; Q270-N274 WeakPolarHBondContact O-CB 3.36Å; Q270-N274 PolarHBondContact O-N 2.75Å; Q270-N274 PolarHBondContact O-ND2 3.4Å; Q270-N274 PolarHBondContact O-OD1 3.28Å
271A83.9Confident84.3Confident48 Ų4885 Ų8540%0.39739%0.39SS..Hα-helixtrans-65.3-4417500000112Q267 Y268 Y269 N274 R275Q267-A271 WeakPolarHBondContact O-CB 3.46Å; Q267-A271 PolarHBondContact O-N 2.77Å; Y268-A271 PolarHBondContact O-N 3.47Å; Y269-A271 VanDerWaalsContact C-N 3.34Å; Y269-A271 PolarHBondContact O-N 3.38Å; A271-N274 PolarHBondContact O-N 2.82Å; A271-R275 WeakPolarHBondContact O-CB 3.42Å; A271-R275 PolarHBondContact O-N 2.93Å
272L82.6Confident84.3Confident19 Ų1984.5 Ų84.510%0.09939%0.394CS..Hα-helixtrans-58-48.8173170.864.5000111.3Y268 Y269 N274 R275 L276 F320 E323Y268-L272 WeakPolarHBondContact O-CB 3.48Å; Y268-L272 PolarHBondContact O-N 3.16Å; Y269-L272 PolarHBondContact O-N 2.97Å; L272-N274 PolarHBondContact O-N 3.44Å; L272-R275 PolarHBondContact O-N 3.49Å; L272-L276 HydrophobicContact CD1-CD1 3.87Å; L272-L276 HydrophobicContact CD1-CG 4.03Å; L272-L276 HydrophobicContact CG-CD1 4.02Å; L272-L276 WeakPolarHBondContact O-CB 3.42Å; L272-L276 WeakPolarHBondContact O-CG 3.36Å; L272-L276 PolarHBondContact O-N 3.23Å; L272-F320 HydrophobicContact CD1-CD2 4.42Å; L272-F320 HydrophobicContact CD2-CE2 4.4Å; L272-E323 HydrophobicContact CD1-CB 4.37Å; L272-E323 HydrophobicContact CD1-CG 3.63Å
273L85.1Confident84Confident66 Ų6681.9 Ų81.935%0.34638%0.383SS..Hα-helixtrans-58.9-47.1175.7-73.6-178000111.7Y269 Q270 R275 L276 D277Y269-L273 HydrophobicContact CD1-CD1 4.05Å; Y269-L273 HydrophobicContact CD1-CG 4.47Å; Y269-L273 HydrophobicContact CE1-CD1 3.51Å; Y269-L273 HydrophobicContact CE1-CG 4.1Å; Y269-L273 HydrophobicContact CE2-CG 4.41Å; Y269-L273 WeakPolarHBondContact O-CG 3.31Å; Y269-L273 PolarHBondContact O-N 3.15Å; Q270-L273 PolarHBondContact O-N 3.31Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 2.77Å; L273-L276 PolarHBondContact O-N 3.18Å; L273-D277 WeakPolarHBondContact O-CB 3.48Å; L273-D277 PolarHBondContact O-N 3.37Å
274N86.5Confident83.8Confident90 Ų9083.1 Ų83.148%0.48140%0.395SS..Hα-helixtrans-59.1-40.5177.8-68.6-16000111.9Q270 A271 L272 E278Q270-N274 PolarHBondContact NE2-OD1 2.95Å; Q270-N274 WeakPolarHBondContact O-CB 3.36Å; Q270-N274 PolarHBondContact O-N 2.75Å; Q270-N274 PolarHBondContact O-ND2 3.4Å; Q270-N274 PolarHBondContact O-OD1 3.28Å; A271-N274 PolarHBondContact O-N 2.82Å; L272-N274 PolarHBondContact O-N 3.44Å; N274-E278 WeakPolarHBondContact O-CB 3.34Å; N274-E278 PolarHBondContact O-N 2.86Å
275R80.7Confident83.9Confident120 Ų12085 Ų8545%0.45341%0.41SS..Hα-helixtrans-72.5-39.1179.7-174.7173174.1157.2-2.7112.8A271 L272 L273 E278 V279 E323A271-R275 WeakPolarHBondContact O-CB 3.42Å; A271-R275 PolarHBondContact O-N 2.93Å; L272-R275 PolarHBondContact O-N 3.49Å; L273-R275 VanDerWaalsContact C-N 3.3Å; L273-R275 PolarHBondContact O-N 2.77Å; R275-E278 PolarHBondContact O-N 3.32Å; R275-V279 PolarHBondContact O-N 2.77Å; R275-E323 WeakPolarHBondContact CD-OE2 3.2Å; R275-E323 IonicContact CZ-OE2 3.6Å; R275-E323 IonicContact NE-OE2 3.31Å; R275-E323 PolarHBondContact NE-OE2 2.8Å; R275-E323 IonicContact NH1-OE2 2.85Å; R275-E323 PolarHBondContact NH1-OE2 2.8Å; R275-E323 IonicContact NH2-OE2 3.95Å
276L82.9Confident83.8Confident55 Ų5583.2 Ų83.229%0.28840%0.396SS..Hα-helixtrans-64.9-43.5173.3-73.3171.9000111.6L272 L273 E278 V279 K280 V319L272-L276 HydrophobicContact CD1-CD1 3.87Å; L272-L276 HydrophobicContact CD1-CG 4.03Å; L272-L276 HydrophobicContact CG-CD1 4.02Å; L272-L276 WeakPolarHBondContact O-CB 3.42Å; L272-L276 WeakPolarHBondContact O-CG 3.36Å; L272-L276 PolarHBondContact O-N 3.23Å; L273-L276 PolarHBondContact O-N 3.18Å; L276-E278 VanDerWaalsContact C-N 3.29Å; L276-E278 PolarHBondContact O-N 3.39Å; L276-V279 PolarHBondContact O-N 2.9Å; L276-K280 WeakPolarHBondContact O-CB 3.28Å; L276-K280 PolarHBondContact O-N 3.27Å; L276-V319 HydrophobicContact CD2-CG1 4.41Å
277D86.9Confident83.3Confident61 Ų6179.7 Ų79.733%0.32638%0.383SS..Hα-helixtrans-67.6-31.3177.4-140.947.8000110.9L273 K280 R281 K1444L273-D277 WeakPolarHBondContact O-CB 3.48Å; L273-D277 PolarHBondContact O-N 3.37Å; D277-K280 WeakPolarHBondContact O-CB 3.13Å; D277-K280 PolarHBondContact O-N 3.18Å; D277-R281 WeakPolarHBondContact O-CG 3.39Å; D277-R281 PolarHBondContact O-N 2.94Å; D277-R281 IonicContact OD2-CZ 2.68Å; D277-R281 IonicContact OD2-NH2 2.69Å; D277-R281 PolarHBondContact OD2-NH2 3.06Å; D277-K1444 IonicContact OD1-NZ 2.69Å
278E84.9Confident83.1Confident83 Ų8381.2 Ų81.239%0.38838%0.384SS..Hα-helixtrans-72.2-40.9172.7-173.554.9-151.400113.3N274 R275 L276 K280 R281 N282N274-E278 WeakPolarHBondContact O-CB 3.34Å; N274-E278 PolarHBondContact O-N 2.86Å; R275-E278 PolarHBondContact O-N 3.32Å; L276-E278 VanDerWaalsContact C-N 3.29Å; L276-E278 PolarHBondContact O-N 3.39Å; E278-K280 PolarHBondContact O-N 3.27Å; E278-R281 PolarHBondContact O-N 2.73Å; E278-R281 WeakPolarHBondContact OE2-CD 3.27Å; E278-R281 IonicContact OE2-CZ 3.67Å; E278-R281 IonicContact OE2-NE 3.54Å; E278-R281 IonicContact OE2-NH1 2.7Å; E278-R281 PolarHBondContact OE2-NH1 3.49Å; E278-N282 PolarHBondContact O-N 2.83Å; E278-N282 PolarHBondContact O-ND2 2.91Å; E278-N282 PolarHBondContact OE1-ND2 3.38Å
279V80.8Confident83Confident46 Ų4680.5 Ų80.528%0.27939%0.39SS..Hα-helixtrans-62.1-36.8170.8166.70000110.8R275 L276 N282 E283 V319R275-V279 PolarHBondContact O-N 2.77Å; L276-V279 PolarHBondContact O-N 2.9Å; V279-N282 PolarHBondContact O-N 2.79Å; V279-E283 WeakPolarHBondContact O-CB 3.3Å; V279-E283 PolarHBondContact O-N 2.7Å; V279-V319 HydrophobicContact CG1-CG2 4.37Å; V279-V319 HydrophobicContact CG2-CG1 4.07Å; V279-V319 HydrophobicContact CG2-CG2 4.36Å
280K84.4Confident82.5Confident121 Ų12177.4 Ų77.453%0.52638%0.38SS..Hα-helixtrans-65.1-39173.7-171.3167.2-172.3152.90113L276 D277 E278 T284L276-K280 WeakPolarHBondContact O-CB 3.28Å; L276-K280 PolarHBondContact O-N 3.27Å; D277-K280 WeakPolarHBondContact O-CB 3.13Å; D277-K280 PolarHBondContact O-N 3.18Å; E278-K280 PolarHBondContact O-N 3.27Å; K280-T284 WeakPolarHBondContact O-CB 3.4Å; K280-T284 PolarHBondContact O-N 3.36Å; K280-T284 PolarHBondContact O-OG1 3.35Å
281R85.8Confident81.8Confident115 Ų11579.3 Ų79.343%0.43439%0.393SS..Hα-helixtrans-62.5-48.2170.8-71.8173.9-148.7115.610.6111D277 E278 T284 L285D277-R281 WeakPolarHBondContact O-CG 3.39Å; D277-R281 PolarHBondContact O-N 2.94Å; D277-R281 IonicContact OD2-CZ 2.68Å; D277-R281 IonicContact OD2-NH2 2.69Å; D277-R281 PolarHBondContact OD2-NH2 3.06Å; E278-R281 PolarHBondContact O-N 2.73Å; E278-R281 WeakPolarHBondContact OE2-CD 3.27Å; E278-R281 IonicContact OE2-CZ 3.67Å; E278-R281 IonicContact OE2-NE 3.54Å; E278-R281 IonicContact OE2-NH1 2.7Å; E278-R281 PolarHBondContact OE2-NH1 3.49Å; R281-T284 WeakPolarHBondContact O-CB 3.09Å; R281-T284 PolarHBondContact O-N 3.45Å; R281-L285 WeakPolarHBondContact O-CG 3.14Å; R281-L285 PolarHBondContact O-N 2.96Å
282N84.8Confident81.2Confident80 Ų8085.4 Ų85.443%0.42841%0.407SS..Hα-helixtrans-67-40-177.7-76.5-71.1000113.4E278 V279 T284 L285 L286E278-N282 PolarHBondContact O-N 2.83Å; E278-N282 PolarHBondContact O-ND2 2.91Å; E278-N282 PolarHBondContact OE1-ND2 3.38Å; V279-N282 PolarHBondContact O-N 2.79Å; N282-T284 VanDerWaalsContact C-N 3.33Å; N282-L285 PolarHBondContact O-N 2.88Å; N282-L286 VanDerWaalsContact O-CB 3.31Å; N282-L286 WeakPolarHBondContact O-CB 3.33Å; N282-L286 PolarHBondContact O-N 3.37Å
283E79.4Confident80.3Confident33 Ų3389.3 Ų89.315%0.15444%0.435CS..Hα-helixtrans-66.4-35.8171.8179.763.4-141.600111.1V279 L286 R287 V312 R315V279-E283 WeakPolarHBondContact O-CB 3.3Å; V279-E283 PolarHBondContact O-N 2.7Å; E283-L286 PolarHBondContact O-N 2.63Å; E283-R287 WeakPolarHBondContact O-CB 3.37Å; E283-R287 WeakPolarHBondContact O-CG 3.1Å; E283-R287 PolarHBondContact O-N 3.26Å; E283-R287 IonicContact OE1-NE 2.99Å; E283-R287 PolarHBondContact OE1-NE 3.15Å; E283-V312 HydrophobicContact CG-CG1 3.79Å; E283-V312 HydrophobicContact CG-CG2 4.11Å; E283-V312 WeakPolarHBondContact OE1-CG2 3.18Å; E283-R315 IonicContact OE2-NH1 3.99Å; E283-R315 PolarHBondContact OE2-NH1 3Å
284T81.8Confident78.7Confident89 Ų8988.5 Ų88.555%0.54644%0.443SS..Hα-helixtrans-64.1-40.7172.8-56.60000111.9K280 R281 N282 R288K280-T284 WeakPolarHBondContact O-CB 3.4Å; K280-T284 PolarHBondContact O-N 3.36Å; K280-T284 PolarHBondContact O-OG1 3.35Å; R281-T284 WeakPolarHBondContact O-CB 3.09Å; R281-T284 PolarHBondContact O-N 3.45Å; N282-T284 VanDerWaalsContact C-N 3.33Å; T284-R288 WeakPolarHBondContact O-CB 3.35Å; T284-R288 PolarHBondContact O-N 3.25Å
285L84.8Confident76.9Confident103 Ų10390.7 Ų90.754%0.53946%0.46SS..Hα-helixtrans-68.5-33.9173.7-70.4171.4000112.3R281 N282 R288 S289R281-L285 WeakPolarHBondContact O-CG 3.14Å; R281-L285 PolarHBondContact O-N 2.96Å; N282-L285 PolarHBondContact O-N 2.88Å; L285-R288 PolarHBondContact O-N 3.4Å; L285-S289 WeakPolarHBondContact O-CB 3.43Å; L285-S289 PolarHBondContact O-N 2.92Å; L285-S289 PolarHBondContact O-OG 3.1Å
286L81.5Confident75.3Confident62 Ų6290.2 Ų90.233%0.32547%0.47SS..Hα-helixtrans-68.9-44.7175.2-176.461.2000111.3N282 E283 R288 S289 Q290N282-L286 VanDerWaalsContact O-CB 3.31Å; N282-L286 WeakPolarHBondContact O-CB 3.33Å; N282-L286 PolarHBondContact O-N 3.37Å; E283-L286 PolarHBondContact O-N 2.63Å; L286-R288 VanDerWaalsContact C-N 3.32Å; L286-R288 PolarHBondContact O-N 2.91Å; L286-S289 WeakPolarHBondContact CA-OG 3.39Å; L286-S289 PolarHBondContact O-N 3.24Å; L286-S289 PolarHBondContact O-OG 3.03Å; L286-S289 VanDerWaalsContact O-OG 3.12Å; L286-Q290 HydrophobicContact CD1-CG 4.48Å; L286-Q290 VanDerWaalsContact CD1-NE2 3.32Å; L286-Q290 WeakPolarHBondContact O-CB 3.27Å; L286-Q290 WeakPolarHBondContact O-CG 3.49Å; L286-Q290 PolarHBondContact O-N 2.63Å
287R77.3Confident73.6Confident70 Ų7095 Ų9526%0.26450%0.496SS..Hα-helixtrans-60-43.7171.9-71.1-172.3179.6-157.2-0.6110.7E283 L291 W307 D309E283-R287 WeakPolarHBondContact O-CB 3.37Å; E283-R287 WeakPolarHBondContact O-CG 3.1Å; E283-R287 PolarHBondContact O-N 3.26Å; E283-R287 IonicContact OE1-NE 2.99Å; E283-R287 PolarHBondContact OE1-NE 3.15Å; R287-L291 VanDerWaalsContact O-CG 3.29Å; R287-L291 WeakPolarHBondContact O-CG 3.33Å; R287-L291 PolarHBondContact O-N 3.37Å; R287-W307 HydrophobicContact CB-CZ3 3.89Å; R287-W307 HydrophobicContact CG-CE3 4.26Å; R287-W307 HydrophobicContact CG-CZ3 3.84Å; R287-D309 IonicContact CZ-OD1 3.72Å; R287-D309 VanDerWaalsContact CZ-OD1 3.23Å; R287-D309 IonicContact NH1-OD1 2.69Å; R287-D309 PolarHBondContact NH1-OD1 3Å; R287-D309 IonicContact NH2-OD1 3.57Å; R287-D309 PolarHBondContact NH2-OD1 3.37Å
288R81.5Confident71.5Confident142 Ų14297.5 Ų97.554%0.53652%0.518SS..Hα-helixtrans-66.4-40.3177.9-170.5175.5-176.2-177.8-0.1113.5T284 L285 L286 L291 Y292T284-R288 WeakPolarHBondContact O-CB 3.35Å; T284-R288 PolarHBondContact O-N 3.25Å; L285-R288 PolarHBondContact O-N 3.4Å; L286-R288 VanDerWaalsContact C-N 3.32Å; L286-R288 PolarHBondContact O-N 2.91Å; R288-L291 PolarHBondContact O-N 2.82Å; R288-Y292 HydrophobicContact CG-CD2 4.28Å; R288-Y292 HydrophobicContact CG-CE2 3.82Å; R288-Y292 PolarHBondContact NH2-OH 3.44Å; R288-Y292 WeakPolarHBondContact O-CD2 3.39Å; R288-Y292 PolarHBondContact O-N 3.29Å
289S78.4Confident69.6Low58 Ų5898.2 Ų98.241%0.40653%0.532SS..Hα-helixtrans-72.2-37.4178.850.70000112.4L285 L286 L291 Y292 S293L285-S289 WeakPolarHBondContact O-CB 3.43Å; L285-S289 PolarHBondContact O-N 2.92Å; L285-S289 PolarHBondContact O-OG 3.1Å; L286-S289 WeakPolarHBondContact CA-OG 3.39Å; L286-S289 PolarHBondContact O-N 3.24Å; L286-S289 PolarHBondContact O-OG 3.03Å; L286-S289 VanDerWaalsContact O-OG 3.12Å; S289-L291 VanDerWaalsContact C-N 3.34Å; S289-L291 PolarHBondContact O-N 3.28Å; S289-Y292 CarbonylContact O-C 3.59Å; S289-Y292 PolarHBondContact O-N 2.78Å; S289-S293 PolarHBondContact O-N 2.85Å; S289-S293 PolarHBondContact O-OG 3.12Å
290Q70.8Confident67.9Low74 Ų74105 Ų10535%0.34656%0.561SS.*Hα-helixtrans-66.4-34.1172.5-73.6179.546.700112.4L286 Y292 S293 G294 W307L286-Q290 HydrophobicContact CD1-CG 4.48Å; L286-Q290 VanDerWaalsContact CD1-NE2 3.32Å; L286-Q290 WeakPolarHBondContact O-CB 3.27Å; L286-Q290 WeakPolarHBondContact O-CG 3.49Å; L286-Q290 PolarHBondContact O-N 2.63Å; Q290-Y292 PolarHBondContact O-N 3.5Å; Q290-S293 PolarHBondContact O-N 3.38Å; Q290-G294 PolarHBondContact O-N 2.95Å; Q290-W307 HydrophobicContact CB-CH2 3.45Å; Q290-W307 VanDerWaalsContact CB-CH2 3.45Å; Q290-W307 HydrophobicContact CB-CZ2 3.74Å
291L72.7Confident66.1Low131 Ų131102.7 Ų102.769%0.68657%0.571SS**THydrogen-bonded Turntrans-64.8-15.4169.4-74.1169.1000114.1R287 R288 S289 W307R287-L291 VanDerWaalsContact O-CG 3.29Å; R287-L291 WeakPolarHBondContact O-CG 3.33Å; R287-L291 PolarHBondContact O-N 3.37Å; R288-L291 PolarHBondContact O-N 2.82Å; S289-L291 VanDerWaalsContact C-N 3.34Å; S289-L291 PolarHBondContact O-N 3.28Å; L291-W307 HydrophobicContact CG-CH2 4.23Å
292Y71.9Confident64.3Low176 Ų176107.2 Ų107.269%0.6960%0.597SS**THydrogen-bonded Turntrans-97.3-2.5170.5-70.8-59.3000113.9R288 S289 Q290R288-Y292 HydrophobicContact CG-CD2 4.28Å; R288-Y292 HydrophobicContact CG-CE2 3.82Å; R288-Y292 PolarHBondContact NH2-OH 3.44Å; R288-Y292 WeakPolarHBondContact O-CD2 3.39Å; R288-Y292 PolarHBondContact O-N 3.29Å; S289-Y292 CarbonylContact O-C 3.59Å; S289-Y292 PolarHBondContact O-N 2.78Å; Q290-Y292 PolarHBondContact O-N 3.5Å
293S63.5Low62.1Low100 Ų100107.1 Ų107.170%0.69962%0.615SS**THydrogen-bonded Turntrans-123.9-6.7-179.8-61.90000114.3S289 Q290 T295S289-S293 PolarHBondContact O-N 2.85Å; S289-S293 PolarHBondContact O-OG 3.12Å; Q290-S293 PolarHBondContact O-N 3.38Å; S293-T295 PolarHBondContact O-N 3.36Å
294G50.9Low60.4Low50 Ų50109.1 Ų109.152%0.51565%0.645SS.*  trans-82.386.3177.200000112.1Q290 V296Q290-G294 PolarHBondContact O-N 2.95Å; G294-V296 PolarHBondContact O-N 3.09Å
295T49.4Very low58.9Low135 Ų135106.9 Ų106.983%0.82864%0.639SS**  trans-62.4117.9155.2-36.80000107S293S293-T295 PolarHBondContact O-N 3.36Å
296V46.3Very low57.5Low110 Ų110106 Ų10667%0.66764%0.64SS**  trans-96.5119.9-173.5177.60000109.9G294 S298G294-V296 PolarHBondContact O-N 3.09Å; V296-S298 WeakPolarHBondContact CG1-OG 3.46Å
297D47.3Very low56.4Low156 Ų156108.2 Ų108.283%0.83464%0.644SS**  trans-118.9126.9156.1-77.8-60.1000108.5
298S43.5Very low55.9Low113 Ų113107.9 Ų107.979%0.7965%0.647SS**  trans-111101.4-169.7-67.60000110.4V296V296-S298 WeakPolarHBondContact CG1-OG 3.46Å
299S45.7Very low55.3Low98 Ų98105.9 Ų105.969%0.68565%0.647SS**  trans-147.6118-177-171.30000110.9
300H45.2Very low55.1Low189 Ų189103.5 Ų103.588%0.87563%0.631SS**SBendtrans45.995.1157-53.888000118.8
301G45.5Very low55.1Low73 Ų73100.6 Ų100.675%0.75362%0.618SS**  trans167.591.9166.200000114.8
302H47.7Very low54.9Low209 Ų20995 Ų9597%0.96859%0.59SS**  trans-73.1134.3164.7-65.9-98.8000109.3
303G39.7Very low55.1Low79 Ų7990.6 Ų90.681%0.81458%0.578SS**SBendcis-172.1117.2-1200000109.8
304G43.1Very low55.8Low75 Ų7587 Ų8777%0.77355%0.549SS*.  trans175.245.3-170.300000113.5
305G49.7Very low57Low42 Ų4289.7 Ų89.743%0.43354%0.544SS..  trans-62.1165.6-174.500000113.5W307 D308G305-W307 PolarHBondContact O-N 2.91Å; G305-D308 PolarHBondContact O-N 3.44Å
306P56Low58.1Low84 Ų8486.4 Ų86.455%0.54552%0.52SS..THydrogen-bonded Turntrans-57.4-6.9-179.4-27.436.2000116.4K1641P306-K1641 VanDerWaalsContact C-NZ 3.34Å; P306-K1641 PolarHBondContact O-NZ 3.44Å
307W57.7Low59.5Low108 Ų10885.4 Ų85.441%0.40951%0.508SS..THydrogen-bonded Turntrans-103.6-5.2-168.1-5698.5000115R287 Q290 L291 G305 D309R287-W307 HydrophobicContact CB-CZ3 3.89Å; R287-W307 HydrophobicContact CG-CE3 4.26Å; R287-W307 HydrophobicContact CG-CZ3 3.84Å; Q290-W307 HydrophobicContact CB-CH2 3.45Å; Q290-W307 VanDerWaalsContact CB-CH2 3.45Å; Q290-W307 HydrophobicContact CB-CZ2 3.74Å; L291-W307 HydrophobicContact CG-CH2 4.23Å; G305-W307 PolarHBondContact O-N 2.91Å; W307-D309 PolarHBondContact O-N 2.84Å
308D67Low61.1Low64 Ų6483.5 Ų83.534%0.34249%0.492SS..  trans-45.8115.7173168.620.5000109.9G305 A310 V311 V312 R314G305-D308 PolarHBondContact O-N 3.44Å; D308-A310 PolarHBondContact O-N 3.48Å; D308-A310 PolarHBondContact OD1-N 3.27Å; D308-V311 HydrophobicContact CB-CG2 3.89Å; D308-V311 WeakPolarHBondContact O-CB 3.37Å; D308-V311 PolarHBondContact O-N 2.93Å; D308-V312 PolarHBondContact O-N 2.68Å; D308-R314 IonicContact OD1-NH2 3.86Å; D308-R314 IonicContact OD2-CZ 3.91Å; D308-R314 VanDerWaalsContact OD2-CZ 3.31Å; D308-R314 IonicContact OD2-NH1 3.58Å; D308-R314 PolarHBondContact OD2-NH1 3.37Å; D308-R314 IonicContact OD2-NH2 2.67Å; D308-R314 PolarHBondContact OD2-NH2 3.08Å
309D68.6Low62.6Low99 Ų9979.7 Ų79.753%0.52946%0.464SS..Hα-helixtrans-60-30.1-175.3-89.8-30.3000111.1R287 W307 V312 N313R287-D309 IonicContact CZ-OD1 3.72Å; R287-D309 VanDerWaalsContact CZ-OD1 3.23Å; R287-D309 IonicContact NH1-OD1 2.69Å; R287-D309 PolarHBondContact NH1-OD1 3Å; R287-D309 IonicContact NH2-OD1 3.57Å; R287-D309 PolarHBondContact NH2-OD1 3.37Å; W307-D309 PolarHBondContact O-N 2.84Å; D309-V312 CarbonylContact O-C 3.5Å; D309-V312 WeakPolarHBondContact O-CA 3.35Å; D309-V312 WeakPolarHBondContact O-CB 3.38Å; D309-V312 PolarHBondContact O-N 2.83Å; D309-N313 PolarHBondContact O-N 3.09Å
310A73.9Confident64Low9 Ų979.7 Ų79.77%0.07445%0.452CS..Hα-helixtrans-70.4-29.8175.400000111.3D308 V312 N313 R314D308-A310 PolarHBondContact O-N 3.48Å; D308-A310 PolarHBondContact OD1-N 3.27Å; A310-V312 PolarHBondContact O-N 3.48Å; A310-N313 WeakPolarHBondContact O-CB 3.35Å; A310-N313 PolarHBondContact O-N 2.81Å; A310-N313 VanDerWaalsContact O-N 3.1Å; A310-R314 VanDerWaalsContact C-NE 3.29Å; A310-R314 VanDerWaalsContact O-CB 3.31Å; A310-R314 WeakPolarHBondContact O-CB 3.44Å; A310-R314 WeakPolarHBondContact O-CD 3.32Å; A310-R314 WeakPolarHBondContact O-CG 3.4Å; A310-R314 PolarHBondContact O-N 3.28Å; A310-R314 PolarHBondContact O-NE 3.38Å
311V71.9Confident65.6Low12 Ų1276.5 Ų76.57%0.07344%0.438CS..Hα-helixtrans-62.2-28.2167.8-170.90000112.1D308 R315 K1641D308-V311 HydrophobicContact CB-CG2 3.89Å; D308-V311 WeakPolarHBondContact O-CB 3.37Å; D308-V311 PolarHBondContact O-N 2.93Å; V311-R315 WeakPolarHBondContact O-CG 3.47Å; V311-R315 PolarHBondContact O-N 2.81Å; V311-R315 VanDerWaalsContact O-N 3.14Å; V311-K1641 HydrophobicContact CG1-CB 4.27Å; V311-K1641 HydrophobicContact CG1-CD 3.65Å; V311-K1641 VanDerWaalsContact CG1-CE 3.43Å; V311-K1641 HydrophobicContact CG1-CG 3.89Å; V311-K1641 VanDerWaalsContact CG1-NZ 3.29Å
312V68.6Low67.2Low15 Ų1577.1 Ų77.19%0.09142%0.424CS..Hα-helixtrans-77.8-38.3173.4171.70000111.6E283 D308 D309 A310 R315 M316E283-V312 HydrophobicContact CG-CG1 3.79Å; E283-V312 HydrophobicContact CG-CG2 4.11Å; E283-V312 WeakPolarHBondContact OE1-CG2 3.18Å; D308-V312 PolarHBondContact O-N 2.68Å; D309-V312 CarbonylContact O-C 3.5Å; D309-V312 WeakPolarHBondContact O-CA 3.35Å; D309-V312 WeakPolarHBondContact O-CB 3.38Å; D309-V312 PolarHBondContact O-N 2.83Å; A310-V312 PolarHBondContact O-N 3.48Å; V312-R315 WeakPolarHBondContact O-CB 3.41Å; V312-R315 PolarHBondContact O-N 3.4Å; V312-M316 HydrophobicContact CG1-CE 4.28Å; V312-M316 WeakPolarHBondContact O-CG 3.46Å; V312-M316 PolarHBondContact O-N 3.12Å
313N76.4Confident68.4Low82 Ų8267.8 Ų67.844%0.43938%0.38SS..Hα-helixtrans-58-52169.8-66.1-19.7000111D309 A310 R315 M316 E317D309-N313 PolarHBondContact O-N 3.09Å; A310-N313 WeakPolarHBondContact O-CB 3.35Å; A310-N313 PolarHBondContact O-N 2.81Å; A310-N313 VanDerWaalsContact O-N 3.1Å; N313-R315 PolarHBondContact O-N 3.45Å; N313-R315 VanDerWaalsContact O-N 3.14Å; N313-M316 CarbonylContact O-C 3.38Å; N313-M316 WeakPolarHBondContact O-CA 3.48Å; N313-M316 PolarHBondContact O-N 3.08Å; N313-M316 WeakPolarHBondContact OD1-CE 3.36Å; N313-E317 VanDerWaalsContact O-CB 3.25Å; N313-E317 WeakPolarHBondContact O-CB 3.45Å; N313-E317 PolarHBondContact O-N 3.13Å
314R78.3Confident70.1Confident26 Ų2667.5 Ų67.510%0.09836%0.36CS..Hα-helixtrans-60.3-23.7178.2-57.4158.3-151.3151.4-2.6112.6D308 A310 K318 S1643 E1644D308-R314 IonicContact OD1-NH2 3.86Å; D308-R314 IonicContact OD2-CZ 3.91Å; D308-R314 VanDerWaalsContact OD2-CZ 3.31Å; D308-R314 IonicContact OD2-NH1 3.58Å; D308-R314 PolarHBondContact OD2-NH1 3.37Å; D308-R314 IonicContact OD2-NH2 2.67Å; D308-R314 PolarHBondContact OD2-NH2 3.08Å; A310-R314 VanDerWaalsContact C-NE 3.29Å; A310-R314 VanDerWaalsContact O-CB 3.31Å; A310-R314 WeakPolarHBondContact O-CB 3.44Å; A310-R314 WeakPolarHBondContact O-CD 3.32Å; A310-R314 WeakPolarHBondContact O-CG 3.4Å; A310-R314 PolarHBondContact O-N 3.28Å; A310-R314 PolarHBondContact O-NE 3.38Å; R314-K318 PolarHBondContact O-N 3.39Å; R314-S1643 WeakPolarHBondContact CD-OG 3.41Å; R314-S1643 PolarHBondContact NH1-OG 3.34Å; R314-E1644 IonicContact CZ-OE1 3.57Å; R314-E1644 IonicContact CZ-OE2 3.6Å; R314-E1644 IonicContact NE-OE1 3.74Å; R314-E1644 PolarHBondContact NE-OE1 2.83Å; R314-E1644 IonicContact NE-OE2 3.8Å; R314-E1644 IonicContact NH2-OE1 2.7Å; R314-E1644 PolarHBondContact NH2-OE1 3.32Å; R314-E1644 IonicContact NH2-OE2 3.78Å; R314-E1644 PolarHBondContact NH2-OE2 2.95Å
315R75.4Confident71.7Confident105 Ų10569 Ų6940%0.39635%0.349SS..Hα-helixtrans-78.1-43.1167.6-82.7176.4171.3-177.6-1.3113.3E283 V311 V312 N313 E317 K318 V319E283-R315 IonicContact OE2-NH1 3.99Å; E283-R315 PolarHBondContact OE2-NH1 3Å; V311-R315 WeakPolarHBondContact O-CG 3.47Å; V311-R315 PolarHBondContact O-N 2.81Å; V311-R315 VanDerWaalsContact O-N 3.14Å; V312-R315 WeakPolarHBondContact O-CB 3.41Å; V312-R315 PolarHBondContact O-N 3.4Å; N313-R315 PolarHBondContact O-N 3.45Å; N313-R315 VanDerWaalsContact O-N 3.14Å; R315-E317 VanDerWaalsContact C-N 3.34Å; R315-K318 PolarHBondContact O-N 2.9Å; R315-V319 WeakPolarHBondContact O-CG2 3.39Å; R315-V319 PolarHBondContact O-N 2.81Å
316M71.9Confident72.8Confident66 Ų6672.8 Ų72.833%0.32535%0.351SS..Hα-helixtrans-66.9-38.7177.1-68.7-173.9-60.400111.3V312 N313 V319 F320V312-M316 HydrophobicContact CG1-CE 4.28Å; V312-M316 WeakPolarHBondContact O-CG 3.46Å; V312-M316 PolarHBondContact O-N 3.12Å; N313-M316 CarbonylContact O-C 3.38Å; N313-M316 WeakPolarHBondContact O-CA 3.48Å; N313-M316 PolarHBondContact O-N 3.08Å; N313-M316 WeakPolarHBondContact OD1-CE 3.36Å; M316-V319 PolarHBondContact O-N 3.29Å; M316-F320 WeakPolarHBondContact O-CB 3.48Å; M316-F320 PolarHBondContact O-N 3.03Å
317E77.5Confident73.3Confident90 Ų9070.7 Ų70.742%0.42133%0.334SS..Hα-helixtrans-58.6-51.4171.9-173.5161.2-136.500110.1N313 R315 V319 F320 E321 S1645N313-E317 VanDerWaalsContact O-CB 3.25Å; N313-E317 WeakPolarHBondContact O-CB 3.45Å; N313-E317 PolarHBondContact O-N 3.13Å; R315-E317 VanDerWaalsContact C-N 3.34Å; E317-V319 PolarHBondContact O-N 3.35Å; E317-F320 CarbonylContact O-C 3.42Å; E317-F320 WeakPolarHBondContact O-CA 3.24Å; E317-F320 WeakPolarHBondContact O-CB 3.27Å; E317-F320 PolarHBondContact O-N 2.94Å; E317-F320 VanDerWaalsContact O-N 3.07Å; E317-E321 WeakPolarHBondContact O-CG 3.48Å; E317-E321 PolarHBondContact O-N 3.38Å; E317-S1645 PolarHBondContact OE2-OG 2.67Å
318K80.1Confident73.9Confident116 Ų11668.3 Ų68.350%0.50433%0.33SS..Hα-helixtrans-59.9-40.6172.8-179.6167.8-179172.30113.8R314 R315 F320 E321 D322R314-K318 PolarHBondContact O-N 3.39Å; R315-K318 PolarHBondContact O-N 2.9Å; K318-F320 VanDerWaalsContact C-N 3.27Å; K318-F320 PolarHBondContact O-N 3.48Å; K318-E321 PolarHBondContact O-N 3.02Å; K318-D322 WeakPolarHBondContact CE-OD2 3.37Å; K318-D322 WeakPolarHBondContact O-CB 3.32Å; K318-D322 PolarHBondContact O-N 3.25Å
319V75.7Confident74.1Confident33 Ų3368.2 Ų68.220%0.233%0.334CS..Hα-helixtrans-62.7-37.2174.9162.90000111.3L276 V279 R315 M316 E317 E323L276-V319 HydrophobicContact CD2-CG1 4.41Å; V279-V319 HydrophobicContact CG1-CG2 4.37Å; V279-V319 HydrophobicContact CG2-CG1 4.07Å; V279-V319 HydrophobicContact CG2-CG2 4.36Å; R315-V319 WeakPolarHBondContact O-CG2 3.39Å; R315-V319 PolarHBondContact O-N 2.81Å; M316-V319 PolarHBondContact O-N 3.29Å; E317-V319 PolarHBondContact O-N 3.35Å; V319-E323 VanDerWaalsContact O-CB 3.27Å; V319-E323 WeakPolarHBondContact O-CB 3.35Å; V319-E323 PolarHBondContact O-N 2.99Å
320F73.5Confident74Confident98 Ų9865.3 Ų65.343%0.4332%0.318SS..Hα-helixtrans-68.8-41175.2179.6-93.9000111.5L272 M316 E317 K318 L324L272-F320 HydrophobicContact CD1-CD2 4.42Å; L272-F320 HydrophobicContact CD2-CE2 4.4Å; M316-F320 WeakPolarHBondContact O-CB 3.48Å; M316-F320 PolarHBondContact O-N 3.03Å; E317-F320 CarbonylContact O-C 3.42Å; E317-F320 WeakPolarHBondContact O-CA 3.24Å; E317-F320 WeakPolarHBondContact O-CB 3.27Å; E317-F320 PolarHBondContact O-N 2.94Å; E317-F320 VanDerWaalsContact O-N 3.07Å; K318-F320 VanDerWaalsContact C-N 3.27Å; K318-F320 PolarHBondContact O-N 3.48Å; F320-L324 HydrophobicContact CE1-CD1 3.73Å; F320-L324 HydrophobicContact CZ-CD1 3.87Å; F320-L324 WeakPolarHBondContact O-CB 3.43Å; F320-L324 PolarHBondContact O-N 3.3Å
321E80Confident73.6Confident122 Ų12268.7 Ų68.757%0.5733%0.334SS*.Hα-helixtrans-62-49.1171.8-70-176.1142.800112.4E317 K318 E323 L324 L325E317-E321 WeakPolarHBondContact O-CG 3.48Å; E317-E321 PolarHBondContact O-N 3.38Å; K318-E321 PolarHBondContact O-N 3.02Å; E321-E323 VanDerWaalsContact C-N 3.29Å; E321-E323 PolarHBondContact O-N 3.25Å; E321-L324 PolarHBondContact O-N 3.36Å; E321-L325 WeakPolarHBondContact O-CB 3.5Å; E321-L325 PolarHBondContact O-N 3.48Å
322D78.4Confident72.9Confident86 Ų8669.2 Ų69.246%0.4634%0.337SS..Hα-helixtrans-60.7-37.9179.8-77.7-32.6000111.1K318 Y326K318-D322 WeakPolarHBondContact CE-OD2 3.37Å; K318-D322 WeakPolarHBondContact O-CB 3.32Å; K318-D322 PolarHBondContact O-N 3.25Å; D322-Y326 WeakPolarHBondContact O-CB 2.98Å; D322-Y326 PolarHBondContact O-N 2.91Å; D322-Y326 VanDerWaalsContact O-N 3.15Å
323E73.3Confident72.3Confident13 Ų1375.1 Ų75.16%0.06136%0.363CS..Hα-helixtrans-78.1-38.8177.5-179.360.5-140.300112.9L272 R275 V319 E321 Y326 Q327L272-E323 HydrophobicContact CD1-CB 4.37Å; L272-E323 HydrophobicContact CD1-CG 3.63Å; R275-E323 WeakPolarHBondContact CD-OE2 3.2Å; R275-E323 IonicContact CZ-OE2 3.6Å; R275-E323 IonicContact NE-OE2 3.31Å; R275-E323 PolarHBondContact NE-OE2 2.8Å; R275-E323 IonicContact NH1-OE2 2.85Å; R275-E323 PolarHBondContact NH1-OE2 2.8Å; R275-E323 IonicContact NH2-OE2 3.95Å; V319-E323 VanDerWaalsContact O-CB 3.27Å; V319-E323 WeakPolarHBondContact O-CB 3.35Å; V319-E323 PolarHBondContact O-N 2.99Å; E321-E323 VanDerWaalsContact C-N 3.29Å; E321-E323 PolarHBondContact O-N 3.25Å; E323-Y326 WeakPolarHBondContact O-CB 3.33Å; E323-Y326 PolarHBondContact O-N 3.39Å; E323-Q327 WeakPolarHBondContact O-CG 3.09Å; E323-Q327 PolarHBondContact O-N 2.92Å; E323-Q327 PolarHBondContact OE1-NE2 3.48Å
324L75.9Confident71.3Confident72 Ų7274.3 Ų74.338%0.37736%0.357SS..Hα-helixtrans-68.1-36.6175.3-174.2149.1000111.1F320 E321 Y326 Q327 L328F320-L324 HydrophobicContact CE1-CD1 3.73Å; F320-L324 HydrophobicContact CZ-CD1 3.87Å; F320-L324 WeakPolarHBondContact O-CB 3.43Å; F320-L324 PolarHBondContact O-N 3.3Å; E321-L324 PolarHBondContact O-N 3.36Å; L324-Y326 VanDerWaalsContact C-N 3.33Å; L324-Q327 PolarHBondContact O-N 3.37Å; L324-L328 HydrophobicContact CD2-CD1 3.62Å; L324-L328 HydrophobicContact CD2-CG 4.15Å; L324-L328 WeakPolarHBondContact O-CB 3.25Å; L324-L328 WeakPolarHBondContact O-CG 3.16Å; L324-L328 PolarHBondContact O-N 2.86Å
325L76.5Confident70.3Confident107 Ų10777.4 Ų77.456%0.5637%0.372SS*.Hα-helixtrans-66.5-35.5172-172.166.1000111.7E321 S329E321-L325 WeakPolarHBondContact O-CB 3.5Å; E321-L325 PolarHBondContact O-N 3.48Å; L325-S329 WeakPolarHBondContact O-CB 3.22Å; L325-S329 PolarHBondContact O-N 3.26Å; L325-S329 VanDerWaalsContact O-N 3.1Å
326Y73.3Confident69.1Low121 Ų12178.5 Ų78.548%0.47538%0.377SS..Hα-helixtrans-64.6-46.7172.5-179.3-117.5000111.5D322 E323 L324 L328 S329 N330D322-Y326 WeakPolarHBondContact O-CB 2.98Å; D322-Y326 PolarHBondContact O-N 2.91Å; D322-Y326 VanDerWaalsContact O-N 3.15Å; E323-Y326 WeakPolarHBondContact O-CB 3.33Å; E323-Y326 PolarHBondContact O-N 3.39Å; L324-Y326 VanDerWaalsContact C-N 3.33Å; Y326-L328 PolarHBondContact O-N 3.17Å; Y326-S329 WeakPolarHBondContact O-CA 3.24Å; Y326-S329 WeakPolarHBondContact O-CB 3.49Å; Y326-S329 PolarHBondContact O-N 3.4Å; Y326-S329 PolarHBondContact O-OG 3.16Å; Y326-N330 WeakPolarHBondContact CE1-ND2 3.37Å; Y326-N330 VanDerWaalsContact CZ-ND2 3.25Å; Y326-N330 PolarHBondContact O-N 3.45Å; Y326-N330 VanDerWaalsContact O-N 3.08Å; Y326-N330 PolarHBondContact OH-ND2 3.08Å
327Q66.3Low68.3Low40 Ų4079.5 Ų79.519%0.18738%0.383CS..Hα-helixtrans-59.5-47174.6-70.117024.400112E323 L324 S329 N330 I331E323-Q327 WeakPolarHBondContact O-CG 3.09Å; E323-Q327 PolarHBondContact O-N 2.92Å; E323-Q327 PolarHBondContact OE1-NE2 3.48Å; L324-Q327 PolarHBondContact O-N 3.37Å; Q327-S329 PolarHBondContact O-N 3.12Å; Q327-S329 VanDerWaalsContact O-N 3.12Å; Q327-N330 PolarHBondContact O-N 3.38Å; Q327-N330 VanDerWaalsContact O-N 3.13Å; Q327-I331 WeakPolarHBondContact O-CG1 3.49Å; Q327-I331 PolarHBondContact O-N 3.13Å
328L70.6Confident67.2Low59 Ų5977.1 Ų77.131%0.30937%0.373SS..Hα-helixtrans-66.1-7173.7-70.4-178.3000114.6L324 Y326 N332 R678L324-L328 HydrophobicContact CD2-CD1 3.62Å; L324-L328 HydrophobicContact CD2-CG 4.15Å; L324-L328 WeakPolarHBondContact O-CB 3.25Å; L324-L328 WeakPolarHBondContact O-CG 3.16Å; L324-L328 PolarHBondContact O-N 2.86Å; Y326-L328 PolarHBondContact O-N 3.17Å; L328-N332 VanDerWaalsContact O-CG 3.3Å; L328-N332 PolarHBondContact O-ND2 2.7Å; L328-N332 PolarHBondContact O-OD1 3Å; L328-R678 PolarHBondContact O-NH1 3.48Å
329S70.7Confident66Low61 Ų6173.9 Ų73.943%0.42736%0.361SS..Hα-helixtrans-97.5-28.3171.476.20000113.1L325 Y326 Q327L325-S329 WeakPolarHBondContact O-CB 3.22Å; L325-S329 PolarHBondContact O-N 3.26Å; L325-S329 VanDerWaalsContact O-N 3.1Å; Y326-S329 WeakPolarHBondContact O-CA 3.24Å; Y326-S329 WeakPolarHBondContact O-CB 3.49Å; Y326-S329 PolarHBondContact O-N 3.4Å; Y326-S329 PolarHBondContact O-OG 3.16Å; Q327-S329 PolarHBondContact O-N 3.12Å; Q327-S329 VanDerWaalsContact O-N 3.12Å
330N67.1Low65Low38 Ų3875.7 Ų75.720%0.20337%0.369CS..Hα-helixtrans-84.3-43.5179.3-69.5-5.9000112.6Y326 Q327 N332 H333 E334Y326-N330 WeakPolarHBondContact CE1-ND2 3.37Å; Y326-N330 VanDerWaalsContact CZ-ND2 3.25Å; Y326-N330 PolarHBondContact O-N 3.45Å; Y326-N330 VanDerWaalsContact O-N 3.08Å; Y326-N330 PolarHBondContact OH-ND2 3.08Å; Q327-N330 PolarHBondContact O-N 3.38Å; Q327-N330 VanDerWaalsContact O-N 3.13Å; N330-N332 VanDerWaalsContact C-N 3.28Å; N330-N332 PolarHBondContact O-N 2.79Å; N330-H333 WeakPolarHBondContact O-CA 3.38Å; N330-H333 WeakPolarHBondContact O-CB 3.38Å; N330-H333 PolarHBondContact O-N 3.04Å; N330-E334 PolarHBondContact O-N 2.87Å
331I64.9Low64.1Low80 Ų8075.2 Ų75.241%0.4137%0.368SS..Hα-helixtrans-53.9-48.9-179.4-68163.4000110.3Q327 H333 E334 E335Q327-I331 WeakPolarHBondContact O-CG1 3.49Å; Q327-I331 PolarHBondContact O-N 3.13Å; I331-H333 PolarHBondContact O-N 3.38Å; I331-E334 PolarHBondContact O-N 2.84Å; I331-E335 WeakPolarHBondContact O-CB 3.36Å; I331-E335 PolarHBondContact O-N 3.29Å
332N56.3Low62.8Low24 Ų2472.8 Ų72.813%0.12836%0.357CS..Hα-helixtrans-58-15.4177-63.127.5000114.5L328 N330 D675 R678 I679L328-N332 VanDerWaalsContact O-CG 3.3Å; L328-N332 PolarHBondContact O-ND2 2.7Å; L328-N332 PolarHBondContact O-OD1 3Å; N330-N332 VanDerWaalsContact C-N 3.28Å; N330-N332 PolarHBondContact O-N 2.79Å; N332-D675 WeakPolarHBondContact ND2-CB 3.43Å; N332-D675 PolarHBondContact ND2-OD1 3.42Å; N332-D675 PolarHBondContact OD1-OD1 3.33Å; N332-R678 PolarHBondContact ND2-NH1 2.73Å; N332-R678 PolarHBondContact OD1-NH1 3.36Å; N332-I679 HydrophobicContact CB-CD1 4.49Å
333H55.6Low61.2Low139 Ų13974.4 Ų74.464%0.64437%0.365SS*.Hα-helixtrans-105.8-20-176.3-144-43.9000113.3N330 I331 I337N330-H333 WeakPolarHBondContact O-CA 3.38Å; N330-H333 WeakPolarHBondContact O-CB 3.38Å; N330-H333 PolarHBondContact O-N 3.04Å; I331-H333 PolarHBondContact O-N 3.38Å; H333-I337 WeakPolarHBondContact O-CD1 3.49Å; H333-I337 WeakPolarHBondContact O-CG1 3.49Å
334E57Low60Low65 Ų6575.5 Ų75.530%0.30437%0.373SS..Hα-helixtrans-93.4-41.5173.8-67.8-176.1-166.700112R264 Y268 N330 I331 Y336 I337 D338R264-E334 VanDerWaalsContact CD-OE2 3.26Å; R264-E334 WeakPolarHBondContact CD-OE2 3.47Å; R264-E334 IonicContact CZ-OE2 3.94Å; R264-E334 IonicContact NE-OE2 3.38Å; R264-E334 IonicContact NH1-OE2 3.62Å; R264-E334 PolarHBondContact NH1-OE2 2.89Å; Y268-E334 PolarHBondContact OH-OE1 3.04Å; N330-E334 PolarHBondContact O-N 2.87Å; I331-E334 PolarHBondContact O-N 2.84Å; E334-Y336 PolarHBondContact O-N 3.03Å; E334-I337 WeakPolarHBondContact O-CB 3.41Å; E334-I337 PolarHBondContact O-N 2.9Å; E334-D338 PolarHBondContact O-N 3.09Å; E334-D338 VanDerWaalsContact O-N 3.13Å
335E57Low58.6Low91 Ų9176.5 Ų76.543%0.42538%0.378SS..Hα-helixtrans-63.3-32.9179.7-166.7163.3-12800111.8I331 I337 D338 D339I331-E335 WeakPolarHBondContact O-CB 3.36Å; I331-E335 PolarHBondContact O-N 3.29Å; E335-I337 PolarHBondContact O-N 3.41Å; E335-D338 PolarHBondContact O-N 2.87Å; E335-D339 WeakPolarHBondContact O-CB 3.43Å; E335-D339 PolarHBondContact O-N 2.94Å
336Y49.4Very low57.2Low127 Ų12778.3 Ų78.350%0.49838%0.384SS..Hα-helixtrans-69.8-13.8173.1-162.5-96.6000114E334 I340E334-Y336 PolarHBondContact O-N 3.03Å; Y336-I340 HydrophobicContact CD1-CD1 3.85Å; Y336-I340 HydrophobicContact CE1-CD1 3.59Å; Y336-I340 WeakPolarHBondContact O-CD1 3.39Å; Y336-I340 VanDerWaalsContact O-CG1 3.3Å; Y336-I340 WeakPolarHBondContact O-CG1 3.29Å
337I56.3Low55.6Low88 Ų8874.8 Ų74.845%0.45137%0.373SS..Hα-helixtrans-91.6-47.4174.6-62172.3000109.6H333 E334 E335 D339 I340 E341H333-I337 WeakPolarHBondContact O-CD1 3.49Å; H333-I337 WeakPolarHBondContact O-CG1 3.49Å; E334-I337 WeakPolarHBondContact O-CB 3.41Å; E334-I337 PolarHBondContact O-N 2.9Å; E335-I337 PolarHBondContact O-N 3.41Å; I337-D339 VanDerWaalsContact C-N 3.27Å; I337-D339 PolarHBondContact O-N 2.69Å; I337-I340 PolarHBondContact O-N 2.97Å; I337-E341 PolarHBondContact O-N 3.47Å; I337-E341 VanDerWaalsContact O-N 3.11Å
338D54.5Low54.5Low39 Ų3976 Ų7621%0.20938%0.381CS..Hα-helixtrans-52-47.5172.7-715.1000110.2R261 R264 E334 E335 I340 E341 E342R261-D338 IonicContact CZ-OD2 2.72Å; R261-D338 IonicContact NE-OD2 2.57Å; R261-D338 IonicContact NH2-OD2 3.94Å; R261-D338 PolarHBondContact NH2-OD2 2.73Å; R264-D338 IonicContact CZ-OD2 3.42Å; R264-D338 IonicContact NH2-OD1 2.7Å; R264-D338 IonicContact NH2-OD2 3.66Å; R264-D338 PolarHBondContact NH2-OD2 2.81Å; E334-D338 PolarHBondContact O-N 3.09Å; E334-D338 VanDerWaalsContact O-N 3.13Å; E335-D338 PolarHBondContact O-N 2.87Å; D338-I340 VanDerWaalsContact C-N 3.35Å; D338-I340 PolarHBondContact O-N 3.18Å; D338-E341 PolarHBondContact O-N 3.46Å; D338-E342 PolarHBondContact O-N 2.89Å; D338-E342 VanDerWaalsContact O-N 3.11Å
339D54.8Low53.2Low49 Ų4977.6 Ų77.626%0.26239%0.39SS..Hα-helixtrans-53.7-44.2174.8-88.8-3.2000113.2E335 I337 N343 R672E335-D339 WeakPolarHBondContact O-CB 3.43Å; E335-D339 PolarHBondContact O-N 2.94Å; I337-D339 VanDerWaalsContact C-N 3.27Å; I337-D339 PolarHBondContact O-N 2.69Å; D339-N343 WeakPolarHBondContact O-CB 3.18Å; D339-N343 PolarHBondContact O-N 3.28Å; D339-N343 VanDerWaalsContact O-N 3.1Å; D339-N343 PolarHBondContact O-ND2 3.06Å; D339-R672 IonicContact OD2-CZ 2.99Å; D339-R672 IonicContact OD2-NE 2.82Å; D339-R672 IonicContact OD2-NH2 2.68Å; D339-R672 PolarHBondContact OD2-NH2 3.48Å
340I53.8Low51.7Low71 Ų7177.6 Ų77.636%0.36439%0.385SS..Hα-helixtrans-74.1-38.3-173.8-76.2174.9000111.1Y336 I337 D338 T344Y336-I340 HydrophobicContact CD1-CD1 3.85Å; Y336-I340 HydrophobicContact CE1-CD1 3.59Å; Y336-I340 WeakPolarHBondContact O-CD1 3.39Å; Y336-I340 VanDerWaalsContact O-CG1 3.3Å; Y336-I340 WeakPolarHBondContact O-CG1 3.29Å; I337-I340 PolarHBondContact O-N 2.97Å; D338-I340 VanDerWaalsContact C-N 3.35Å; D338-I340 PolarHBondContact O-N 3.18Å; I340-T344 WeakPolarHBondContact O-CB 3.34Å; I340-T344 PolarHBondContact O-N 2.97Å; I340-T344 PolarHBondContact O-OG1 3.34Å
341E55.7Low50.1Low88 Ų8881.1 Ų81.141%0.41140%0.404SS..Hα-helixtrans-75.9-26.5179.3-59.8-158.5149.600111.8I337 D338 T344 L345 R457I337-E341 PolarHBondContact O-N 3.47Å; I337-E341 VanDerWaalsContact O-N 3.11Å; D338-E341 PolarHBondContact O-N 3.46Å; E341-T344 CarbonylContact O-C 3.46Å; E341-T344 PolarHBondContact O-N 2.89Å; E341-L345 WeakPolarHBondContact O-CB 3.12Å; E341-L345 VanDerWaalsContact O-CG 3.24Å; E341-L345 WeakPolarHBondContact O-CG 3.33Å; E341-L345 PolarHBondContact O-N 3.4Å; E341-L345 VanDerWaalsContact O-N 3.08Å; E341-R457 IonicContact OE1-CZ 3.75Å; E341-R457 IonicContact OE1-NH2 3.07Å; E341-R457 PolarHBondContact OE1-NH2 3.36Å
342E51.9Low48.7Very low71 Ų7183.3 Ų83.333%0.33242%0.416SS..Hα-helixtrans-67.9-50.2168.9-145.5159.9133.800111.1R257 D338 T344 L345 E346R257-E342 IonicContact CZ-OE2 2.85Å; R257-E342 IonicContact NE-OE2 3.78Å; R257-E342 IonicContact NH1-OE2 3.81Å; R257-E342 PolarHBondContact NH1-OE2 2.95Å; D338-E342 PolarHBondContact O-N 2.89Å; D338-E342 VanDerWaalsContact O-N 3.11Å; E342-T344 PolarHBondContact O-N 2.86Å; E342-L345 PolarHBondContact O-N 2.97Å; E342-E346 PolarHBondContact O-N 3.04Å
343N43.7Very low47.8Very low119 Ų11988.8 Ų88.864%0.63645%0.446SS*.Hα-helixtrans-66.5-16.8175.5-77.1-90.6000113.8D339D339-N343 WeakPolarHBondContact O-CB 3.18Å; D339-N343 PolarHBondContact O-N 3.28Å; D339-N343 VanDerWaalsContact O-N 3.1Å; D339-N343 PolarHBondContact O-ND2 3.06Å
344T49Very low46.8Very low36 Ų3689.5 Ų89.522%0.22145%0.454CS..THydrogen-bonded Turntrans-10925.9169.854.90000112.9I340 E341 E342 R454I340-T344 WeakPolarHBondContact O-CB 3.34Å; I340-T344 PolarHBondContact O-N 2.97Å; I340-T344 PolarHBondContact O-OG1 3.34Å; E341-T344 CarbonylContact O-C 3.46Å; E341-T344 PolarHBondContact O-N 2.89Å; E342-T344 PolarHBondContact O-N 2.86Å; T344-R454 VanDerWaalsContact O-CG 3.25Å; T344-R454 WeakPolarHBondContact O-CG 3.46Å
345L46.6Very low45.8Very low93 Ų9393.8 Ų93.849%0.48748%0.479SS..THydrogen-bonded Turntrans-131.2-2.1168.4-80.4178.5000116.8E341 E342 N347 R454E341-L345 WeakPolarHBondContact O-CB 3.12Å; E341-L345 VanDerWaalsContact O-CG 3.24Å; E341-L345 WeakPolarHBondContact O-CG 3.33Å; E341-L345 PolarHBondContact O-N 3.4Å; E341-L345 VanDerWaalsContact O-N 3.08Å; E342-L345 PolarHBondContact O-N 2.97Å; L345-N347 VanDerWaalsContact C-N 3.34Å; L345-N347 PolarHBondContact O-N 3.42Å; L345-R454 PolarHBondContact O-NE 2.94Å; L345-R454 PolarHBondContact O-NH2 3.32Å
346E46.9Very low44.9Very low146 Ų14697.6 Ų97.668%0.68250%0.503SS*.SBendtrans-83.313-177.2-80.6-145.1106.200116.9E342E342-E346 PolarHBondContact O-N 3.04Å
347N40.4Very low44.1Very low46 Ų4699 Ų9925%0.24652%0.519CS..  trans-167.8120.9-148.3-88-88.2000118.7L345 D452 I453 R454L345-N347 VanDerWaalsContact C-N 3.34Å; L345-N347 PolarHBondContact O-N 3.42Å; N347-D452 CarbonylContact C-O 3.55Å; N347-D452 VanDerWaalsContact C-OD1 3.32Å; N347-D452 WeakPolarHBondContact CA-OD1 3.42Å; N347-D452 HydrophobicContact CB-CB 3.96Å; N347-D452 WeakPolarHBondContact OD1-CA 3.35Å; N347-D452 WeakPolarHBondContact OD1-CB 3.4Å; N347-I453 VanDerWaalsContact CB-CA 3.48Å; N347-I453 VanDerWaalsContact CB-N 3.29Å; N347-I453 WeakPolarHBondContact CB-O 3.38Å; N347-I453 CarbonylContact O-C 3.53Å; N347-I453 PolarHBondContact OD1-N 3.23Å; N347-R454 VanDerWaalsContact C-NH1 3.25Å; N347-R454 HydrophobicContact CB-CG 3.98Å; N347-R454 VanDerWaalsContact N-NH2 3.11Å; N347-R454 WeakPolarHBondContact O-CA 3.43Å; N347-R454 WeakPolarHBondContact O-CB 3.46Å; N347-R454 WeakPolarHBondContact O-CD 3.25Å; N347-R454 WeakPolarHBondContact O-CG 3.46Å; N347-R454 PolarHBondContact O-N 2.92Å; N347-R454 PolarHBondContact O-NE 3.05Å; N347-R454 PolarHBondContact O-NH1 3.39Å
348D43.1Very low42.9Very low65 Ų6599.2 Ų99.235%0.34853%0.533SS..BIsolated β-bridgetrans-1301.5164-88.8-41.3000121.9D452 I453 R454 R455D348-D452 CarbonylContact C-O 3.55Å; D348-D452 WeakPolarHBondContact CA-O 3.45Å; D348-D452 VanDerWaalsContact N-CG 3.26Å; D348-D452 PolarHBondContact N-O 2.73Å; D348-D452 PolarHBondContact N-OD1 3.28Å; D348-I453 VanDerWaalsContact C-CG1 3.42Å; D348-I453 WeakPolarHBondContact O-CG1 3.48Å; D348-R454 VanDerWaalsContact OD2-CD 3.32Å; D348-R454 WeakPolarHBondContact OD2-CD 3.48Å; D348-R454 IonicContact OD2-CZ 2.7Å; D348-R454 IonicContact OD2-NE 3.02Å; D348-R454 IonicContact OD2-NH1 3.95Å; D348-R454 PolarHBondContact OD2-NH1 3.18Å; D348-R455 IonicContact OD1-NE 3.88Å; D348-R455 IonicContact OD1-NH2 3.1Å; D348-R455 IonicContact OD2-CZ 3.72Å; D348-R455 IonicContact OD2-NH2 2.68Å; D348-R455 PolarHBondContact OD2-NH2 3.21Å
349N43Very low41.9Very low94 Ų94105.4 Ų105.450%0.50357%0.565SS.*SBendtrans-104.4-19.2172.5-49.8-89.1000119.7N351 N352 P451 D452N349-N351 PolarHBondContact O-N 2.96Å; N349-N352 CarbonylContact O-C 3.43Å; N349-N352 WeakPolarHBondContact O-CA 3.49Å; N349-N352 VanDerWaalsContact O-CB 3.32Å; N349-N352 WeakPolarHBondContact O-CB 3.27Å; N349-N352 PolarHBondContact O-N 3.32Å; N349-P451 HydrophobicContact CB-CB 3.66Å; N349-D452 CarbonylContact C-O 3.59Å; N349-D452 WeakPolarHBondContact CA-O 3.43Å; N349-D452 VanDerWaalsContact CB-OD2 3.29Å; N349-D452 WeakPolarHBondContact CB-OD2 3.06Å; N349-D452 PolarHBondContact N-O 3.46Å; N349-D452 PolarHBondContact N-OD2 2.67Å; N349-D452 PolarHBondContact ND2-OD2 3.15Å
350N38.7Very low40.8Very low61 Ų61110.9 Ų110.933%0.32659%0.594SS.*G310 helixtrans-56.6-60.2-156.7-174-96.5000113.5N352 N353 P451 D452 I453N350-N352 PolarHBondContact O-N 3.38Å; N350-N353 PolarHBondContact O-N 2.97Å; N350-P451 VanDerWaalsContact CB-C 3.47Å; N350-P451 WeakPolarHBondContact CB-O 3.45Å; N350-P451 PolarHBondContact ND2-O 2.84Å; N350-D452 VanDerWaalsContact CB-CA 3.42Å; N350-D452 VanDerWaalsContact CB-N 3.29Å; N350-D452 PolarHBondContact N-O 3.06Å; N350-I453 HydrophobicContact CB-CB 4.07Å
351N34.7Very low39.7Very low112 Ų112110.8 Ų110.860%0.59961%0.611SS**G310 helixtrans-81.443.7-178.9-55.9-63.4000109.1N349 I453N349-N351 PolarHBondContact O-N 2.96Å; N351-I453 HydrophobicContact CB-CB 4.06Å; N351-I453 HydrophobicContact CB-CD1 4Å; N351-I453 HydrophobicContact CB-CG2 3.92Å; N351-I453 WeakPolarHBondContact ND2-CB 3.2Å; N351-I453 WeakPolarHBondContact ND2-CG2 3.48Å
352N34.8Very low38.4Very low125 Ų125110.7 Ų110.767%0.66862%0.619SS**G310 helixtrans-152.238.3175-99.9-14.9000110.8N349 N350 I453N349-N352 CarbonylContact O-C 3.43Å; N349-N352 WeakPolarHBondContact O-CA 3.49Å; N349-N352 VanDerWaalsContact O-CB 3.32Å; N349-N352 WeakPolarHBondContact O-CB 3.27Å; N349-N352 PolarHBondContact O-N 3.32Å; N350-N352 PolarHBondContact O-N 3.38Å; N352-I453 HydrophobicContact CB-CD1 4.2Å
353N36.6Very low37.6Very low139 Ų139114 Ų11474%0.74364%0.638SS**SBendtrans-158.953.6155.4-104.8-19.8000112.5N350N350-N353 PolarHBondContact O-N 2.97Å
354N34.9Very low37Very low155 Ų155114.6 Ų114.683%0.82964%0.642SS**SBendtrans-155.360.9170.6-107-36.8000111.8
355N36.8Very low36.4Very low154 Ų154118.3 Ų118.382%0.82466%0.664SS**  trans-170.396.1159-101.9-25.8000110.7
356N37.1Very low35.7Very low171 Ų171119.8 Ų119.891%0.91467%0.672SS**  trans-168.4111.1142.4-99.4-29.5000109.6
357N32.1Very low35.2Very low158 Ų158119.6 Ų119.685%0.84568%0.676SS**  trans-77.8145.4173.4-82.8-56.4000110.7
358A31.1Very low34.8Very low91 Ų91121.9 Ų121.975%0.75269%0.691SS**  trans58.1121.915800000119
359I33.3Very low34.3Very low170 Ų170128.9 Ų128.987%0.87272%0.722SS**  -158144.5121.4-100.4149.7000108.5
360N32.2Very low33.7Very low164 Ų164127.8 Ų127.888%0.87772%0.721SS**  trans-88.2152.5177.8-50.1-76.4000110.9
361G30.3Very low33.4Very low69 Ų69132.2 Ų132.271%0.71174%0.74SS**  trans158.5110.2151.800000116.2
362C28.7Very low33.1Very low85 Ų85134.6 Ų134.657%0.57475%0.747SS**  trans62.2115.8161-67.20000115.5
363N35Very low32.8Very low140 Ų140135.5 Ų135.575%0.74975%0.745SS**  4812056.9-58.414.4000112.5
364D31.8Very low32.3Very low133 Ų133133.2 Ų133.271%0.71174%0.74SS**  -162.2150.495.5-101.4-17.3000113.9
365V36.4Very low31.9Very low114 Ų114133.5 Ų133.569%0.69174%0.741SS**  trans54.388.9155.5-175.50000116.4
366L31.7Very low31.6Very low123 Ų123131.7 Ų131.764%0.64474%0.738SS**  74126.662.6-56.8166.2000111.3
367D36.6Very low31.2Very low142 Ų142130.1 Ų130.176%0.75973%0.734SS**  60.4160.488.7-50.6-28.4000111.8
368V32.5Very low30.9Very low95 Ų95131 Ų13158%0.57673%0.73SS**  -169.5119.360.5169.40000110S370V368-S370 WeakPolarHBondContact CG1-OG 3.46Å
369E32.3Very low30.7Very low212 Ų212132.7 Ų132.799%0.99173%0.727SS**  trans-115.963.5138.9-78.4-151144.400109.3
370S30.4Very low30.4Very low70 Ų70130.6 Ų130.649%0.4972%0.722SS.*  trans-97.797.5168.781.50000109.9V368 Q372V368-S370 WeakPolarHBondContact CG1-OG 3.46Å; S370-Q372 PolarHBondContact O-N 3.49Å
371E32.2Very low30.4Very low154 Ų154131.4 Ų131.472%0.7272%0.717SS**  trans-73.490165.6-99.2-79.893.300109.6K373E371-K373 PolarHBondContact O-N 2.88Å; E371-K373 IonicContact OE1-NZ 2.7Å; E371-K373 PolarHBondContact OE1-NZ 3.09Å; E371-K373 IonicContact OE2-NZ 3.73Å; E371-K373 PolarHBondContact OE2-NZ 2.88Å
372Q29Very low30.4Very low162 Ų162135 Ų13576%0.75772%0.72SS**  trans-69.5110.6168.5-62.1177.47.700110.3S370S370-Q372 PolarHBondContact O-N 3.49Å
373K28.1Very low30.5Very low144 Ų144136.5 Ų136.563%0.62673%0.726SS**  trans-14690.2158-87.2108.7-174.9-179.40114.1E371E371-K373 PolarHBondContact O-N 2.88Å; E371-K373 IonicContact OE1-NZ 2.7Å; E371-K373 PolarHBondContact OE1-NZ 3.09Å; E371-K373 IonicContact OE2-NZ 3.73Å; E371-K373 PolarHBondContact OE2-NZ 2.88Å
374S26.9Very low30.5Very low91 Ų91135.5 Ų135.564%0.63672%0.721SS**  32.5124.1123.162.90000121.4
375L26.6Very low30.6Very low162 Ų162135.5 Ų135.585%0.84872%0.721SS**  trans69.9172145.8-55.1165.1000116.2
376P29.7Very low30.7Very low115 Ų115133.8 Ų133.875%0.74771%0.714SS**  -126176.8-57.738.2-26.3000113K378P376-K378 PolarHBondContact O-N 3.38Å
377V28.4Very low30.9Very low139 Ų139134.4 Ų134.484%0.84272%0.718SS**  trans-38.2118.9171.3179.50000114.4
378K26.3Very low31Very low176 Ų176133.8 Ų133.877%0.76571%0.714SS**  trans-178148131.3-103.2171.5-178.4-174.30116.5P376P376-K378 PolarHBondContact O-N 3.38Å
379D26.2Very low31.3Very low126 Ų126133.1 Ų133.167%0.67471%0.71SS**  trans62.192.5142.1-51.8-22.6000123.8
380V28Very low31.4Very low126 Ų126127.8 Ų127.876%0.76469%0.685SS**  73.5138.6114.6168.90000122.5
381K30.9Very low31.7Very low181 Ų181132 Ų13279%0.78770%0.697SS**  trans80.3125.1173.7-75.7172.8177.3-175.30116
382L30.3Very low31.9Very low145 Ų145129.5 Ų129.576%0.75969%0.694SS**  66.2135.760.6-60.8178.5000111.2
383T30.9Very low31.9Very low117 Ų117129.2 Ų129.272%0.71870%0.697SS**  cis-174.9156.713.315.10000107.8
384N35.2Very low31.8Very low118 Ų118126.7 Ų126.763%0.63170%0.697SS**  cis-171.9179.9-11.1-138.653.1000110.3
385D33.9Very low31.9Very low134 Ų134129.7 Ų129.772%0.71771%0.706SS**  trans68.4148.3146.9-74.1-42.8000122.2
386S37.7Very low32Very low78 Ų78126.3 Ų126.355%0.54570%0.695SS.*  cis-173.7161.3-16.5-119.60000114
387N37.8Very low32.1Very low135 Ų135127.6 Ų127.672%0.72270%0.696SS**  trans69.7158.4145.8-67.8-18.7000121.5
388L37.9Very low32.2Very low130 Ų130126.7 Ų126.768%0.68169%0.686SS**  cis-171169.1-14.6-91.8160.7000107.5
389V38.4Very low32.5Very low81 Ų81126 Ų12649%0.49169%0.686SS.*  cis-171.3156.5-44.888.30000112.9I1718 I1719V389-I1718 WeakPolarHBondContact CG2-O 3.09Å; V389-I1719 HydrophobicContact CG2-CG1 4.19Å
390E35.2Very low32.7Very low100 Ų100125.3 Ų125.347%0.46769%0.686SS.*  trans54.6117.4155.3-63.7-142.1107.100127.1I1719E390-I1719 HydrophobicContact CG-CB 4.38Å; E390-I1719 HydrophobicContact CG-CD1 3.78Å; E390-I1719 HydrophobicContact CG-CG1 3.67Å; E390-I1719 WeakPolarHBondContact OE2-CD1 3.15Å
391Q35.3Very low33Very low159 Ų159126.1 Ų126.174%0.74369%0.685SS**  79.9158.2118.4-66.7-144.250.700125.4
392P37.3Very low33Very low101 Ų101125.1 Ų125.166%0.65668%0.683SS**  trans-123177.7-16244.1-30.8000115.9
393L29.4Very low33.2Very low156 Ų156125.4 Ų125.482%0.81769%0.685SS**  trans172.3125.4130.9-96.4163.2000116.3
394S26.7Very low33.4Very low91 Ų91129 Ų12964%0.63669%0.687SS**  trans69.1139.6133.574.90000125.1
395L28.7Very low33.5Very low154 Ų154132.1 Ų132.181%0.80670%0.697SS**  trans85.6103.1139-76.6162.4000123.4
396S28.7Very low33.5Very low90 Ų90132.1 Ų132.163%0.62970%0.697SS**  71.2121.412367.60000123.6
397N30.5Very low33.4Very low143 Ų143135.4 Ų135.477%0.76571%0.707SS**  94.3142.2128.6-81.935.4000123
398D31.2Very low33.4Very low119 Ų119135.4 Ų135.464%0.63671%0.707SS**  trans81.399.4151.7-70.3-57.5000122.6
399Q33.3Very low33.2Very low162 Ų162136.6 Ų136.676%0.75771%0.714SS**  92.5121.3120.7-76.1178.661.200124.1
400V30.4Very low33.1Very low112 Ų112139.2 Ų139.268%0.67973%0.73SS**  trans87.4117.1131.3170.50000120.2
401L32.8Very low33Very low142 Ų142141.3 Ų141.374%0.74375%0.745SS**  trans37.6152.1142.1-76.766000120.2
402E31Very low33Very low161 Ų161143 Ų14375%0.75275%0.753SS**  cis-160.4-171.125.6-148.3168.6-145.700112.9
403L36Very low32.8Very low151 Ų151141.5 Ų141.579%0.79174%0.738SS**  trans91.4105.7158-69166.6000120.6
404Y34.2Very low33Very low192 Ų192139.1 Ų139.175%0.75374%0.735SS**  trans-54152.9160.6-75.9-111.6000114.6
405Q36.8Very low33.3Very low183 Ų183140.8 Ų140.886%0.85573%0.732SS**  trans-148.7112.5137.1-137.8108115.600110.7
406D33.6Very low33.4Very low134 Ų134141.1 Ų141.172%0.71773%0.729SS**  trans-76.3142.7163.4-50.5-73.1000109.2
407I36.9Very low33.6Very low147 Ų147142.7 Ų142.775%0.75473%0.731SS**  trans-166.3129.7154.1-111.1153.3000113.7
408N37.3Very low33.8Very low136 Ų136142.2 Ų142.273%0.72772%0.724SS**  trans60.4104.4154.9-58.43.9000122
409D33Very low33.8Very low155 Ų155143.7 Ų143.783%0.82973%0.727SS**  -4.9136117.4-34-34.5000117.6
410V37.9Very low33.7Very low135 Ų135142.9 Ų142.982%0.81873%0.727SS**  176.5133.3122148.60000109.7
411D32.5Very low33.6Very low145 Ų145142.1 Ų142.178%0.77573%0.726SS**  trans-85.6136.8176.8-30.2-90.7000111.4
412E34.9Very low33.6Very low194 Ų194140.6 Ų140.691%0.90772%0.723SS**  trans-151.2101.1152.9-155.1158.7-135.800112.1
413I33.2Very low33.8Very low69 Ų69139.4 Ų139.435%0.35472%0.72SS.*  trans-79.8130.6173.1-69.6168.7000109.4V212 D213 E214V212-I413 HydrophobicContact CG1-CD1 4.06Å; D213-I413 HydrophobicContact CB-CD1 4.5Å; E214-I413 HydrophobicContact CB-CD1 4.06Å; E214-I413 HydrophobicContact CB-CG1 4.18Å; E214-I413 HydrophobicContact CG-CD1 3.79Å; E214-I413 HydrophobicContact CG-CG1 4.15Å; E214-I413 WeakPolarHBondContact OE1-CG2 3.27Å; E214-I413 WeakPolarHBondContact OE2-CG2 3.21Å
414S33Very low33.7Very low107 Ų107140.2 Ų140.275%0.74872%0.72SS**  trans-156.8125.9157.3-171.70000113.2
415H33.2Very low33.8Very low126 Ų126137.8 Ų137.858%0.58372%0.715SS**  trans-69.2172.8174-60.3-65000114.2E214E214-H415 IonicContact OE1-CE1 3.13Å
416H32.2Very low33.7Very low160 Ų160136 Ų13674%0.74171%0.705SS**  trans123.5136.3140.6-64.7-60.5000114.5
417D30.9Very low33.8Very low123 Ų123133.3 Ų133.366%0.65869%0.69SS**  cis-167.2-176.1-26.7-120.9-18.4000109.5
418E35.3Very low33.7Very low133 Ų133129 Ų12962%0.62167%0.667SS**  trans-13.5147.3156.7-39.1-171.9121.500117.7
419H30.6Very low33.6Very low151 Ų151128.4 Ų128.470%0.69966%0.663SS**  cis-151.7151.847.8-71.7-72.6000110.3
420L31.9Very low34Very low145 Ų145127.9 Ų127.976%0.75966%0.658SS**  49.7133.973.8-74.3157.1000112
421S29.3Very low34.5Very low96 Ų96126.2 Ų126.267%0.67165%0.65SS**  cis-172.7162.546.757.40000114.5
422V31.1Very low34.4Very low110 Ų110126 Ų12667%0.66765%0.648SS**  trans72.3117.9147.2164.80000117
423I36.6Very low34.3Very low135 Ų135122.9 Ų122.969%0.69263%0.634SS**  75.9130.752-55.2161.2000109.5
424E34.1Very low34.4Very low169 Ų169127 Ų12779%0.7965%0.649SS**  -151.8149.166.3-66165.6164.700109.2
425E36.1Very low34.4Very low141 Ų141131.7 Ų131.766%0.65966%0.656SS**  cis92.3114.728.4-166.2-159.4-98.600115.4
426K34.3Very low34.3Very low144 Ų144129.6 Ų129.663%0.62666%0.655SS**  trans159.6163.4145-86167.1-177.963.60116.1K1344K426-K1344 WeakPolarHBondContact CB-O 3.31Å; K426-K1344 VanDerWaalsContact CD-O 3.26Å; K426-K1344 WeakPolarHBondContact CD-O 3.35Å; K426-K1344 WeakPolarHBondContact CG-O 3.43Å
427D36.1Very low34.2Very low78 Ų78127.7 Ų127.742%0.41766%0.655SS.*  trans-104-154.4-154.6-44.2-112.9000116.5L1343 K1344 I1345 I1346D427-L1343 WeakPolarHBondContact OD2-CA 3.47Å; D427-K1344 PolarHBondContact OD2-N 3.27Å; D427-I1345 CarbonylContact O-C 3.49Å; D427-I1345 VanDerWaalsContact O-CA 3.27Å; D427-I1345 WeakPolarHBondContact O-CA 3.41Å; D427-I1346 PolarHBondContact O-N 2.95Å
428E33.8Very low34.2Very low56 Ų56128.7 Ų128.726%0.26266%0.66SS.*  cis-158.6-169.215.3-135.3-161.9149.200109.1L1343 K1344 I1345E428-L1343 HydrophobicContact CG-CB 4.14Å; E428-L1343 HydrophobicContact CG-CD2 3.72Å; E428-L1343 HydrophobicContact CG-CG 4.47Å; E428-K1344 IonicContact OE1-NZ 2.73Å; E428-K1344 PolarHBondContact OE1-NZ 3.28Å; E428-K1344 WeakPolarHBondContact OE2-CD 3.47Å; E428-K1344 WeakPolarHBondContact OE2-CE 3.42Å; E428-K1344 WeakPolarHBondContact OE2-CG 3.35Å; E428-K1344 IonicContact OE2-NZ 3.89Å; E428-K1344 PolarHBondContact OE2-NZ 2.86Å; E428-K1344 VanDerWaalsContact OE2-NZ 3.13Å; E428-I1345 HydrophobicContact CB-CB 4.04Å; E428-I1345 HydrophobicContact CB-CD1 4.26Å; E428-I1345 HydrophobicContact CB-CG1 3.75Å
429L36.3Very low34.4Very low124 Ų124127.7 Ų127.765%0.64967%0.668SS**  cis-160.9163.633.5-136.7-173.6000111.8I1345L429-I1345 HydrophobicContact CD1-CD1 3.79Å; L429-I1345 HydrophobicContact CG-CD1 3.97Å
430M40.4Very low34.5Very low145 Ų145128 Ų12871%0.71467%0.674SS**  trans-80.4175.5168.1-68.5-69-69.700113
431P48.1Very low35Very low100 Ų100127.8 Ų127.865%0.64967%0.673SS**  cis-118.4-164.1-8.733.7-11.3000111.4
432D31.6Very low35.2Very low140 Ų140129.3 Ų129.375%0.74967%0.673SS**  cis-167.7171.432.7-144.9-19000115.8
433E32.7Very low35.5Very low129 Ų129126.4 Ų126.460%0.60367%0.666SS**  trans69.589.2161.8-61.8-110.7130.200121.6
434K34.2Very low35.6Very low156 Ų156127.2 Ų127.268%0.67868%0.679SS**  76106.2129.6-62.9163.8-171.9156.20121.8
435K33.7Very low35.8Very low204 Ų204122.7 Ų122.789%0.88768%0.678SS**  35.4132.6120-58.4179.5-179.5-177.80118.3
436S30.6Very low35.7Very low82 Ų82123.7 Ų123.757%0.57368%0.683SS**  cis-160.5136.843.154.30000117.4
437V30.2Very low36.1Very low121 Ų121126.7 Ų126.773%0.73369%0.69SS**  trans69.6100.2134.2-179.80000118.9
438N30.8Very low36.1Very low143 Ų143129.3 Ų129.377%0.76571%0.711SS**  trans60.8107.2130.2-56.618.4000120
439S40.3Very low36.2Very low113 Ų113132 Ų13279%0.7973%0.726SS**  trans-41.5147.2132.943.50000113.7
440I32.2Very low36.3Very low158 Ų158133.6 Ų133.681%0.8174%0.735SS**  trans-123.1114.7145.3-71.3-176000107.2
441D42.6Very low36Very low139 Ų139128.2 Ų128.274%0.74371%0.71SS**  trans-50.6141.6163.1154.352.2000111.8
442L32.5Very low35.5Very low128 Ų128125.6 Ų125.667%0.6769%0.691SS**  trans-139.3124.8155.9-74.7-178.3000110.4
443G38.9Very low35.7Very low50 Ų50121 Ų12152%0.51567%0.666SS.*  trans-74.4-149.4170.300000113.8G445G443-G445 PolarHBondContact O-N 2.89Å
444P37.8Very low35.5Very low151 Ų151118 Ų11898%0.98165%0.649SS**SBendtrans-70.588.3-164.628.7-36.3000113.8
445G38.2Very low35.3Very low74 Ų74117.7 Ų117.776%0.76364%0.644SS**  trans-162.38.4-173.600000119.7G443G443-G445 PolarHBondContact O-N 2.89Å
446E34.3Very low35Very low162 Ų162113.4 Ų113.476%0.75764%0.638SS**  trans-113.2152.3-175.5-64.4-155.2132.700115.6
447R43.7Very low34.8Very low207 Ų207116.7 Ų116.778%0.78164%0.638SS**  trans-119.8139.7179.2-78.5-178.8168.6-161.7-2.5111.4I449R447-I449 HydrophobicContact CB-CG1 3.91Å; R447-I449 PolarHBondContact O-N 3.43Å; R447-I449 VanDerWaalsContact O-N 3.13Å
448P36Very low34.7Very low133 Ų133118 Ų11886%0.86464%0.639SS**  trans-67.3102.6141.9-4.121.9000107.4L450P448-L450 PolarHBondContact O-N 3.26Å
449I36.2Very low34.5Very low113 Ų113118.5 Ų118.558%0.57964%0.641SS**  trans-71.6104.1178.2-66.6175.8000108.4R447 P451R447-I449 HydrophobicContact CB-CG1 3.91Å; R447-I449 PolarHBondContact O-N 3.43Å; R447-I449 VanDerWaalsContact O-N 3.13Å; I449-P451 VanDerWaalsContact O-CD 3.25Å; I449-P451 WeakPolarHBondContact O-CD 3.39Å
450L38.2Very low33.8Very low158 Ų158118 Ų11883%0.82764%0.638SS**  trans-57.9118.2152.7-110.7176.5000107P448P448-L450 PolarHBondContact O-N 3.26Å
451P34.2Very low33.7Very low31 Ų31116.1 Ų116.120%0.20163%0.625CS.*  trans-93.3171.9-175.534-24.3000110.5N349 N350 I449N349-P451 HydrophobicContact CB-CB 3.66Å; N350-P451 VanDerWaalsContact CB-C 3.47Å; N350-P451 WeakPolarHBondContact CB-O 3.45Å; N350-P451 PolarHBondContact ND2-O 2.84Å; I449-P451 VanDerWaalsContact O-CD 3.25Å; I449-P451 WeakPolarHBondContact O-CD 3.39Å
452D37.1Very low33Very low46 Ų46113.8 Ų113.825%0.24662%0.62CS.*  trans-138.9115.5-163.860.4135.7000112.8N347 D348 N349 N350N347-D452 CarbonylContact C-O 3.55Å; N347-D452 VanDerWaalsContact C-OD1 3.32Å; N347-D452 WeakPolarHBondContact CA-OD1 3.42Å; N347-D452 HydrophobicContact CB-CB 3.96Å; N347-D452 WeakPolarHBondContact OD1-CA 3.35Å; N347-D452 WeakPolarHBondContact OD1-CB 3.4Å; D348-D452 CarbonylContact C-O 3.55Å; D348-D452 WeakPolarHBondContact CA-O 3.45Å; D348-D452 VanDerWaalsContact N-CG 3.26Å; D348-D452 PolarHBondContact N-O 2.73Å; D348-D452 PolarHBondContact N-OD1 3.28Å; N349-D452 CarbonylContact C-O 3.59Å; N349-D452 WeakPolarHBondContact CA-O 3.43Å; N349-D452 VanDerWaalsContact CB-OD2 3.29Å; N349-D452 WeakPolarHBondContact CB-OD2 3.06Å; N349-D452 PolarHBondContact N-O 3.46Å; N349-D452 PolarHBondContact N-OD2 2.67Å; N349-D452 PolarHBondContact ND2-OD2 3.15Å; N350-D452 VanDerWaalsContact CB-CA 3.42Å; N350-D452 VanDerWaalsContact CB-N 3.29Å; N350-D452 PolarHBondContact N-O 3.06Å
453I35.3Very low32.9Very low42 Ų42110 Ų11022%0.21560%0.6CS.*BIsolated β-bridgetrans-122.1135.1174.7-101.3175000119.3N347 D348 N350 N351 N352N347-I453 VanDerWaalsContact CB-CA 3.48Å; N347-I453 VanDerWaalsContact CB-N 3.29Å; N347-I453 WeakPolarHBondContact CB-O 3.38Å; N347-I453 CarbonylContact O-C 3.53Å; N347-I453 PolarHBondContact OD1-N 3.23Å; D348-I453 VanDerWaalsContact C-CG1 3.42Å; D348-I453 WeakPolarHBondContact O-CG1 3.48Å; N350-I453 HydrophobicContact CB-CB 4.07Å; N351-I453 HydrophobicContact CB-CB 4.06Å; N351-I453 HydrophobicContact CB-CD1 4Å; N351-I453 HydrophobicContact CB-CG2 3.92Å; N351-I453 WeakPolarHBondContact ND2-CB 3.2Å; N351-I453 WeakPolarHBondContact ND2-CG2 3.48Å; N352-I453 HydrophobicContact CB-CD1 4.2Å
454R29.6Very low32.6Very low67 Ų67113.1 Ų113.125%0.25361%0.605SS.*  trans-80.6-154.6177.5-85.7161.2-167.8114.315.7111.6T344 L345 N347 D348T344-R454 VanDerWaalsContact O-CG 3.25Å; T344-R454 WeakPolarHBondContact O-CG 3.46Å; L345-R454 PolarHBondContact O-NE 2.94Å; L345-R454 PolarHBondContact O-NH2 3.32Å; N347-R454 VanDerWaalsContact C-NH1 3.25Å; N347-R454 HydrophobicContact CB-CG 3.98Å; N347-R454 VanDerWaalsContact N-NH2 3.11Å; N347-R454 WeakPolarHBondContact O-CA 3.43Å; N347-R454 WeakPolarHBondContact O-CB 3.46Å; N347-R454 WeakPolarHBondContact O-CD 3.25Å; N347-R454 WeakPolarHBondContact O-CG 3.46Å; N347-R454 PolarHBondContact O-N 2.92Å; N347-R454 PolarHBondContact O-NE 3.05Å; N347-R454 PolarHBondContact O-NH1 3.39Å; D348-R454 VanDerWaalsContact OD2-CD 3.32Å; D348-R454 WeakPolarHBondContact OD2-CD 3.48Å; D348-R454 IonicContact OD2-CZ 2.7Å; D348-R454 IonicContact OD2-NE 3.02Å; D348-R454 IonicContact OD2-NH1 3.95Å; D348-R454 PolarHBondContact OD2-NH1 3.18Å
455R28.4Very low32.2Very low150 Ų150111.2 Ų111.257%0.56658%0.582SS**  trans26.3105139.1-72.2-179.2-86.2-144.41.1115D348D348-R455 IonicContact OD1-NE 3.88Å; D348-R455 IonicContact OD1-NH2 3.1Å; D348-R455 IonicContact OD2-CZ 3.72Å; D348-R455 IonicContact OD2-NH2 2.68Å; D348-R455 PolarHBondContact OD2-NH2 3.21Å
456C27.5Very low31.9Very low113 Ų113112.3 Ų112.376%0.76457%0.574SS**  cis-142.4157.330.2-69.90000110.9
457R27.6Very low31.8Very low151 Ų151112.5 Ų112.557%0.5758%0.58SS**  63.297.752.5-87.7-169.1-176.4170.27.8115.3E341E341-R457 IonicContact OE1-CZ 3.75Å; E341-R457 IonicContact OE1-NH2 3.07Å; E341-R457 PolarHBondContact OE1-NH2 3.36Å
458I26.5Very low31.3Very low148 Ų148107.6 Ų107.676%0.75958%0.577SS**  trans85.1147146.3-43.9153.9000116.4
459L27.7Very low30.9Very low154 Ų154108.1 Ų108.181%0.80657%0.571SS**  trans74.7144.2-179.3-51.6-176000114.6
460S26Very low30.6Very low103 Ų103110.5 Ų110.572%0.7258%0.579SS**  cis128150.5-0.6-79.20000109
461E28.9Very low30.1Very low118 Ų118108.5 Ų108.555%0.55157%0.57SS**  trans66.8129.6-168.7-49.6-165.7137.300113.1I1017 S1018E461-I1017 VanDerWaalsContact OE1-CA 3.25Å; E461-I1017 WeakPolarHBondContact OE1-CA 3.27Å; E461-I1017 PolarHBondContact OE1-N 3.31Å; E461-S1018 PolarHBondContact OE1-N 2.69Å; E461-S1018 WeakPolarHBondContact OE2-CA 3.28Å; E461-S1018 PolarHBondContact OE2-N 3.06Å; E461-S1018 VanDerWaalsContact OE2-N 3.12Å
462S27.6Very low29.9Very low91 Ų91112.5 Ų112.564%0.63659%0.588SS**  cis74.996.2-387.80000120.2
463I31.6Very low29.6Very low47 Ų47117.4 Ų117.424%0.24161%0.614CS.*  trans79.7127.1131.6-66.5166.4000119.4F465 D510 I514I463-F465 HydrophobicContact CG2-CD2 3.27Å; I463-F465 HydrophobicContact CG2-CE2 3.52Å; I463-F465 HydrophobicContact CG2-CG 4.28Å; I463-D510 HydrophobicContact CD1-CB 3.95Å; I463-D510 HydrophobicContact CG1-CB 3.59Å; I463-I514 HydrophobicContact CD1-CD1 3.39Å; I463-I514 HydrophobicContact CD1-CG1 3.88Å
464N31.6Very low29.4Very low116 Ų116122.3 Ų122.362%0.6264%0.636SS**  -164.3117.5128.3-89.5-43.2000109.1
465F30.2Very low29.4Very low112 Ų112124.5 Ų124.549%0.49165%0.653SS.*  8597.465.3-91.8-65000115.9I463 N511I463-F465 HydrophobicContact CG2-CD2 3.27Å; I463-F465 HydrophobicContact CG2-CE2 3.52Å; I463-F465 HydrophobicContact CG2-CG 4.28Å; F465-N511 HydrophobicContact CE1-CB 4.18Å; F465-N511 HydrophobicContact CZ-CB 4Å; F465-N511 VanDerWaalsContact CZ-CG 3.43Å; F465-N511 WeakPolarHBondContact CZ-OD1 3.25Å
466T31.4Very low29.5Very low97 Ų97124.8 Ų124.860%0.59566%0.66SS**  trans46.5138.7133.257.50000121.9
467N32.8Very low29.7Very low166 Ų166124.9 Ų124.989%0.88866%0.658SS**  -160.3164.6106.1-105.2-54.9000113.7
468S32.1Very low29.6Very low104 Ų104122.5 Ų122.573%0.72766%0.663SS**  trans-113.3-173.9-176.4-175.70000111.3
469I28.7Very low29.7Very low143 Ų143124.3 Ų124.373%0.73367%0.665SS**  trans99.9110.4158.5-58.4173.4000118.5
470H29.1Very low29.7Very low163 Ų163124.1 Ų124.176%0.75566%0.664SS**  trans61.3126.7147.2-84.5-60.1000124.4
471N27.9Very low29.7Very low117 Ų117124.8 Ų124.863%0.62666%0.664SS**  103.9114.3122.7-79.7-4000123
472I30.6Very low29.7Very low115 Ų115128 Ų12859%0.5968%0.679SS**  54.2104119-53.4169.5000117.9
473N30.2Very low29.7Very low148 Ų148127.1 Ų127.179%0.79168%0.684SS**  -161.3126.4112.5-92.4-34.2000107.9
474H30.7Very low29.6Very low146 Ų146132.6 Ų132.668%0.67671%0.714SS**  89.3132.957.8-98.4-72.7000114.1
475N30.8Very low29.3Very low113 Ų113132.4 Ų132.460%0.60472%0.722SS**  trans68.4153.8156.1-65.124.7000116.4
476E30.7Very low29.3Very low155 Ų155136.5 Ų136.572%0.72474%0.739SS**  cis-167.9161.4-16.3-107.2159.7173.800104.4
477T29.9Very low29.1Very low115 Ų115139.4 Ų139.471%0.70675%0.749SS**  cis-160.8163.817.6-124.80000110.2
478C26.4Very low29.3Very low101 Ų101135.8 Ų135.868%0.68274%0.737SS**  trans-50.5148.4175.1-40.30000116.4
479K29.5Very low29.4Very low186 Ų186134.5 Ų134.581%0.80973%0.726SS**  174.6130.5112.7-91.2155-173.1174.40110.8
480L26.1Very low29.4Very low150 Ų150136.5 Ų136.579%0.78572%0.724SS**  48.3103.181.9-78.7160.5000110.8
481T27.5Very low29.5Very low117 Ų117132.1 Ų132.172%0.71871%0.712SS**  -166.4169.572.931.80000113.5
482H28.4Very low29.4Very low187 Ų187131.2 Ų131.287%0.86671%0.711SS**  trans11.9134.7154.4-60.5-73.7000120.7
483G28.2Very low29.3Very low71 Ų71129.5 Ų129.573%0.73271%0.714SS**  138.4116.8119.900000116.1S485G483-S485 PolarHBondContact O-N 3.03Å
484N27.9Very low29.2Very low163 Ų163130.3 Ų130.387%0.87272%0.717SS**  trans-33.8126.4153.5-50.1-20.2000110
485S26.6Very low29.1Very low112 Ų112128.4 Ų128.478%0.78372%0.72SS**  -178.6176.48148.20000112.4G483G483-S485 PolarHBondContact O-N 3.03Å
486K29.7Very low29Very low197 Ų197132.2 Ų132.286%0.85773%0.732SS**  trans-51134.8171.9-52.6166-177.91760111.4
487I27.1Very low28.8Very low159 Ų159131.2 Ų131.282%0.81574%0.736SS**  trans-166133.7135.7-97.7146.2000108.5
488S38.2Very low28.7Very low90 Ų90130.5 Ų130.563%0.62974%0.736SS**  trans-114.6134.6161.2175.80000107.1
489P32.4Very low28.7Very low76 Ų76134.3 Ų134.349%0.49474%0.741SS.*  -124146.1108.60.321.4000110.6
490R30.1Very low28.6Very low185 Ų185132.1 Ų132.170%0.69873%0.734SS**  63.397.651.3-167.4-177-176.9-176.14.1113.4
491S31.8Very low28.7Very low72 Ų72130.7 Ų130.750%0.50373%0.727SS.*  trans55.8135.6162.856.60000117.4N1047S491-N1047 WeakPolarHBondContact CB-OD1 3.37Å; S491-N1047 PolarHBondContact O-ND2 2.99Å; S491-N1047 PolarHBondContact O-OD1 2.89Å; S491-N1047 PolarHBondContact OG-OD1 2.94Å
492V25.7Very low28.8Very low98 Ų98133.6 Ų133.659%0.59473%0.729SS**  -128.9153.568.4-157.90000112.1N1047V492-N1047 WeakPolarHBondContact CG2-ND2 3.31Å
493A28.3Very low28.8Very low79 Ų79130.6 Ų130.665%0.65373%0.73SS**  trans-61.3166.7159.900000111.9
494L26.9Very low28.8Very low165 Ų165132.4 Ų132.486%0.86473%0.727SS**  -163.5143.9118.5-105.7166.1000111.3
495S29.4Very low29Very low105 Ų105129.6 Ų129.673%0.73472%0.72SS**  trans-67.3142.3178.4-330000111.6
496K29.1Very low29.4Very low194 Ų194130.7 Ų130.784%0.84372%0.717SS**  trans-165.2105142.9-109.9155.2-172.3178.90113.7S498K496-S498 PolarHBondContact O-N 2.98Å
497T26.1Very low29.5Very low133 Ų133128.5 Ų128.582%0.81671%0.713SS**  trans6.3103.113155.10000117.7
498S27.2Very low29.6Very low101 Ų101125.5 Ų125.571%0.70671%0.705SS**  -150.3135.4127.871.70000106.6K496K496-S498 PolarHBondContact O-N 2.98Å
499F25.7Very low29.9Very low180 Ų180124.6 Ų124.679%0.78970%0.696SS**  42.5107.873.2-72.6-80.4000109.2
500Q28.9Very low30.5Very low140 Ų140124.4 Ų124.465%0.65469%0.691SS**  -167139.956.3-158.569.541.800110.7
501D27.7Very low31.2Very low120 Ų120119 Ų11964%0.64268%0.676SS**  trans15.1109.1152.3-36.8-28.3000119.5
502K30.6Very low32Very low178 Ų178121.2 Ų121.277%0.77468%0.678SS**  170.591.2113-90.1156.6-174.1174.40112.2T504K502-T504 HydrophobicContact CB-CG2 4.23Å; K502-T504 HydrophobicContact CG-CG2 4.23Å; K502-T504 PolarHBondContact O-N 3.15Å
503S26.9Very low33.5Very low125 Ų125120.1 Ų120.187%0.87467%0.669SS**  trans-7849165.5-52.10000111.4S505S503-S505 VanDerWaalsContact C-N 3.3Å; S503-S505 PolarHBondContact O-N 2.75Å
504T27.9Very low35Very low109 Ų109120.7 Ų120.767%0.66966%0.66SS**  trans-78.281.2176.649.80000109.6K502K502-T504 HydrophobicContact CB-CG2 4.23Å; K502-T504 HydrophobicContact CG-CG2 4.23Å; K502-T504 PolarHBondContact O-N 3.15Å
505S32.4Very low36.7Very low103 Ų103117.3 Ų117.372%0.7264%0.64SS**  trans-114.157.3173.765.70000111.2S503 I507S503-S505 VanDerWaalsContact C-N 3.3Å; S503-S505 PolarHBondContact O-N 2.75Å; S505-I507 PolarHBondContact O-N 3.3Å
506D35.3Very low38.3Very low136 Ų136117.1 Ų117.173%0.72763%0.63SS**  trans35.975.6150.6-65.1-9.4000117.6C508D506-C508 HydrophobicContact CB-CB 3.99Å; D506-C508 PolarHBondContact O-N 3.13Å
507I31.8Very low40.1Very low151 Ų151116.3 Ų116.377%0.77462%0.621SS**  trans-72.761.1152.6-51.7-179.7000108S505 T509S505-I507 PolarHBondContact O-N 3.3Å; I507-T509 VanDerWaalsContact C-N 3.32Å; I507-T509 PolarHBondContact O-N 2.81Å; I507-T509 VanDerWaalsContact O-N 3.13Å
508C29.7Very low42.4Very low96 Ų96113.8 Ų113.865%0.64960%0.601SS**THydrogen-bonded Turntrans-92.358.6-167.7-163.40000111.6D506D506-C508 HydrophobicContact CB-CB 3.99Å; D506-C508 PolarHBondContact O-N 3.13Å
509T43.1Very low44.7Very low70 Ų70112.3 Ų112.343%0.42958%0.581SS.*THydrogen-bonded Turntrans-131.9-1.7175.2570000114.4I507 N511 E512 N513I507-T509 VanDerWaalsContact C-N 3.32Å; I507-T509 PolarHBondContact O-N 2.81Å; I507-T509 VanDerWaalsContact O-N 3.13Å; T509-N511 VanDerWaalsContact C-N 3.3Å; T509-N511 PolarHBondContact O-N 2.81Å; T509-E512 CarbonylContact O-C 3.22Å; T509-E512 VanDerWaalsContact O-CA 3.31Å; T509-E512 WeakPolarHBondContact O-CA 3.42Å; T509-E512 VanDerWaalsContact O-CB 3.27Å; T509-E512 WeakPolarHBondContact O-CB 3.43Å; T509-E512 PolarHBondContact O-N 3.31Å; T509-N513 WeakPolarHBondContact O-CB 3.37Å; T509-N513 PolarHBondContact O-N 3.18Å
510D45.2Very low47.1Very low73 Ų73107.1 Ų107.139%0.3956%0.564SS.*Hα-helixtrans-67.2-28.1-179.5-79.7-26.7000114.3I463 N513 I514I463-D510 HydrophobicContact CD1-CB 3.95Å; I463-D510 HydrophobicContact CG1-CB 3.59Å; D510-N513 VanDerWaalsContact O-CB 3.25Å; D510-N513 WeakPolarHBondContact O-CB 3.29Å; D510-N513 PolarHBondContact O-N 2.84Å; D510-N513 VanDerWaalsContact O-N 3.15Å; D510-I514 PolarHBondContact O-N 3.44Å
511N46.3Very low49.6Very low71 Ų71105 Ų10538%0.3856%0.557SS.*Hα-helixtrans-73.5-32.3169.7-164.330.1000111.5F465 T509 N513 Q515F465-N511 HydrophobicContact CE1-CB 4.18Å; F465-N511 HydrophobicContact CZ-CB 4Å; F465-N511 VanDerWaalsContact CZ-CG 3.43Å; F465-N511 WeakPolarHBondContact CZ-OD1 3.25Å; T509-N511 VanDerWaalsContact C-N 3.3Å; T509-N511 PolarHBondContact O-N 2.81Å; N511-N513 PolarHBondContact O-N 2.83Å; N511-Q515 WeakPolarHBondContact O-CG 3.24Å; N511-Q515 PolarHBondContact O-N 3.4Å
512E47.6Very low52Low118 Ų118101.1 Ų101.155%0.55154%0.536SS*.Hα-helixtrans-65.5-29.5165.3-55.9-164.4141.700111.2T509 Q515 L516T509-E512 CarbonylContact O-C 3.22Å; T509-E512 VanDerWaalsContact O-CA 3.31Å; T509-E512 WeakPolarHBondContact O-CA 3.42Å; T509-E512 VanDerWaalsContact O-CB 3.27Å; T509-E512 WeakPolarHBondContact O-CB 3.43Å; T509-E512 PolarHBondContact O-N 3.31Å; E512-Q515 PolarHBondContact O-N 3.32Å; E512-L516 WeakPolarHBondContact O-CA 3.43Å; E512-L516 WeakPolarHBondContact O-CB 3.21Å; E512-L516 WeakPolarHBondContact O-CD1 3.42Å; E512-L516 PolarHBondContact O-N 2.94Å
513N57.6Low54.1Low76 Ų7693.8 Ų93.841%0.40650%0.504SS..Hα-helixtrans-73.1-38.3179.9-157.8-12.6000111.3T509 D510 N511 R517T509-N513 WeakPolarHBondContact O-CB 3.37Å; T509-N513 PolarHBondContact O-N 3.18Å; D510-N513 VanDerWaalsContact O-CB 3.25Å; D510-N513 WeakPolarHBondContact O-CB 3.29Å; D510-N513 PolarHBondContact O-N 2.84Å; D510-N513 VanDerWaalsContact O-N 3.15Å; N511-N513 PolarHBondContact O-N 2.83Å; N513-R517 WeakPolarHBondContact O-CB 3.45Å; N513-R517 VanDerWaalsContact O-CG 3.27Å; N513-R517 WeakPolarHBondContact O-CG 3.32Å; N513-R517 PolarHBondContact O-N 2.87Å
514I59.6Low56.6Low90 Ų9091.5 Ų91.546%0.46248%0.48SS..Hα-helixtrans-69.6-43.9168.5-70.9-170.8000111.5I463 D510 L516 R517 Q518I463-I514 HydrophobicContact CD1-CD1 3.39Å; I463-I514 HydrophobicContact CD1-CG1 3.88Å; D510-I514 PolarHBondContact O-N 3.44Å; I514-L516 VanDerWaalsContact C-N 3.34Å; I514-L516 PolarHBondContact O-N 3.37Å; I514-R517 PolarHBondContact O-N 2.81Å; I514-Q518 PolarHBondContact O-N 3.35Å
515Q62.5Low59.1Low94 Ų9491.2 Ų91.244%0.43947%0.474SS..Hα-helixtrans-63.9-37.8174.4-72.8-1738.200112N511 E512 Q518 K519N511-Q515 WeakPolarHBondContact O-CG 3.24Å; N511-Q515 PolarHBondContact O-N 3.4Å; E512-Q515 PolarHBondContact O-N 3.32Å; Q515-Q518 PolarHBondContact O-N 3.06Å; Q515-K519 WeakPolarHBondContact O-CB 3.48Å; Q515-K519 PolarHBondContact O-N 3Å
516L62Low61.4Low101 Ų10189 Ų8953%0.52945%0.454SS..Hα-helixtrans-61-44.9171.4-104.171.7000110.7E512 I514 K519 V520E512-L516 WeakPolarHBondContact O-CA 3.43Å; E512-L516 WeakPolarHBondContact O-CB 3.21Å; E512-L516 WeakPolarHBondContact O-CD1 3.42Å; E512-L516 PolarHBondContact O-N 2.94Å; I514-L516 VanDerWaalsContact C-N 3.34Å; I514-L516 PolarHBondContact O-N 3.37Å; L516-K519 PolarHBondContact O-N 2.83Å; L516-V520 WeakPolarHBondContact O-CB 3.29Å; L516-V520 WeakPolarHBondContact O-CG2 3.16Å; L516-V520 PolarHBondContact O-N 3.45Å
517R68.9Low63Low177 Ų17786.2 Ų86.267%0.66844%0.438SS*.Hα-helixtrans-62-46.1177.2-79.8169.1169.3-1071.1111.8N513 I514 V520 L521N513-R517 WeakPolarHBondContact O-CB 3.45Å; N513-R517 VanDerWaalsContact O-CG 3.27Å; N513-R517 WeakPolarHBondContact O-CG 3.32Å; N513-R517 PolarHBondContact O-N 2.87Å; I514-R517 PolarHBondContact O-N 2.81Å; R517-V520 PolarHBondContact O-N 2.88Å; R517-L521 VanDerWaalsContact O-CG 3.27Å; R517-L521 WeakPolarHBondContact O-CG 3.45Å; R517-L521 PolarHBondContact O-N 3.24Å
518Q73.2Confident65.2Low81 Ų8181.8 Ų81.838%0.37942%0.415SS..Hα-helixtrans-65.2-46.8177.2-170.758.150.900111.3I514 Q515 V520 L521 D522I514-Q518 PolarHBondContact O-N 3.35Å; Q515-Q518 PolarHBondContact O-N 3.06Å; Q518-V520 VanDerWaalsContact C-N 3.33Å; Q518-V520 PolarHBondContact O-N 3.26Å; Q518-L521 CarbonylContact O-C 3.36Å; Q518-L521 WeakPolarHBondContact O-CA 3.42Å; Q518-L521 WeakPolarHBondContact O-CB 3.26Å; Q518-L521 PolarHBondContact O-N 3.45Å; Q518-L521 VanDerWaalsContact O-N 3.09Å; Q518-D522 PolarHBondContact NE2-OD1 2.88Å; Q518-D522 PolarHBondContact O-N 2.66Å
519K76.6Confident67.3Low70 Ų7081.5 Ų81.530%0.30441%0.407SS..Hα-helixtrans-61.5-35.7177-176.5170.6-148.2136.30113.8Q515 L516 E523 S654Q515-K519 WeakPolarHBondContact O-CB 3.48Å; Q515-K519 PolarHBondContact O-N 3Å; L516-K519 PolarHBondContact O-N 2.83Å; K519-E523 VanDerWaalsContact O-CB 3.28Å; K519-E523 WeakPolarHBondContact O-CB 3.42Å; K519-E523 PolarHBondContact O-N 2.88Å; K519-S654 WeakPolarHBondContact CD-OG 3.37Å; K519-S654 WeakPolarHBondContact CE-OG 3.44Å; K519-S654 VanDerWaalsContact CG-OG 3.27Å; K519-S654 WeakPolarHBondContact CG-OG 3.25Å; K519-S654 PolarHBondContact NZ-OG 3.35Å
520V75.5Confident68.9Low70 Ų7083.8 Ų83.842%0.42441%0.411SS..Hα-helixtrans-69.2-41.4172.3164.80000110.8L516 R517 Q518 E523 E524L516-V520 WeakPolarHBondContact O-CB 3.29Å; L516-V520 WeakPolarHBondContact O-CG2 3.16Å; L516-V520 PolarHBondContact O-N 3.45Å; R517-V520 PolarHBondContact O-N 2.88Å; Q518-V520 VanDerWaalsContact C-N 3.33Å; Q518-V520 PolarHBondContact O-N 3.26Å; V520-E523 PolarHBondContact O-N 3.06Å; V520-E524 WeakPolarHBondContact O-CB 3.42Å; V520-E524 WeakPolarHBondContact O-CG 3.44Å; V520-E524 PolarHBondContact O-N 3.03Å
521L80.3Confident70.2Confident97 Ų9789 Ų8951%0.50843%0.425SS..Hα-helixtrans-64.2-42.1174.2-71.2167.4000111.7R517 Q518 E524 L525R517-L521 VanDerWaalsContact O-CG 3.27Å; R517-L521 WeakPolarHBondContact O-CG 3.45Å; R517-L521 PolarHBondContact O-N 3.24Å; Q518-L521 CarbonylContact O-C 3.36Å; Q518-L521 WeakPolarHBondContact O-CA 3.42Å; Q518-L521 WeakPolarHBondContact O-CB 3.26Å; Q518-L521 PolarHBondContact O-N 3.45Å; Q518-L521 VanDerWaalsContact O-N 3.09Å; L521-E524 PolarHBondContact O-N 2.72Å; L521-L525 WeakPolarHBondContact O-CB 3.34Å; L521-L525 WeakPolarHBondContact O-CG 3.46Å; L521-L525 PolarHBondContact O-N 2.76Å
522D78.7Confident71.5Confident38 Ų3887.6 Ų87.620%0.20342%0.417CS..Hα-helixtrans-68.2-38.2178.2-64.3-14.4000111.8Q518 E524 L525 D526 T655Q518-D522 PolarHBondContact NE2-OD1 2.88Å; Q518-D522 PolarHBondContact O-N 2.66Å; D522-E524 VanDerWaalsContact C-N 3.35Å; D522-L525 PolarHBondContact O-N 2.72Å; D522-D526 WeakPolarHBondContact O-CB 3.28Å; D522-D526 PolarHBondContact O-N 2.73Å; D522-T655 HydrophobicContact CB-CG2 4.36Å
523E74.2Confident72.7Confident23 Ų2386 Ų8611%0.10741%0.412CS..Hα-helixtrans-69.6-30.6173.4-170.4168.5-173.800112.2K519 V520 M527 T655 K658K519-E523 VanDerWaalsContact O-CB 3.28Å; K519-E523 WeakPolarHBondContact O-CB 3.42Å; K519-E523 PolarHBondContact O-N 2.88Å; V520-E523 PolarHBondContact O-N 3.06Å; E523-M527 WeakPolarHBondContact O-CB 3.4Å; E523-M527 WeakPolarHBondContact O-CG 3.5Å; E523-M527 PolarHBondContact O-N 2.79Å; E523-T655 HydrophobicContact CB-CG2 3.86Å; E523-T655 HydrophobicContact CG-CG2 4.48Å; E523-K658 WeakPolarHBondContact OE1-CA 3.26Å; E523-K658 VanDerWaalsContact OE1-CB 3.3Å; E523-K658 WeakPolarHBondContact OE1-CB 3.42Å; E523-K658 PolarHBondContact OE1-N 3.25Å
524E79.1Confident73Confident78 Ų7892.3 Ų92.336%0.36443%0.43SS..Hα-helixtrans-76.6-35171.9-69.6-163.3167.500113.1V520 L521 D522 M527 I528 K658V520-E524 WeakPolarHBondContact O-CB 3.42Å; V520-E524 WeakPolarHBondContact O-CG 3.44Å; V520-E524 PolarHBondContact O-N 3.03Å; L521-E524 PolarHBondContact O-N 2.72Å; D522-E524 VanDerWaalsContact C-N 3.35Å; E524-M527 HydrophobicContact CB-CE 4.44Å; E524-M527 HydrophobicContact CG-CE 3.75Å; E524-M527 PolarHBondContact O-N 2.82Å; E524-I528 WeakPolarHBondContact O-CB 3.3Å; E524-I528 WeakPolarHBondContact O-CD1 3.2Å; E524-I528 VanDerWaalsContact O-CG1 3.23Å; E524-I528 WeakPolarHBondContact O-CG1 3.48Å; E524-I528 PolarHBondContact O-N 2.94Å; E524-K658 IonicContact OE1-NZ 2.66Å; E524-K658 PolarHBondContact OE1-NZ 3Å
525L81.5Confident73.4Confident102 Ų10293.5 Ų93.553%0.53444%0.437SS..Hα-helixtrans-63.8-46170.7-76.8169.4000111.7L521 D522 M527 I528 D529L521-L525 WeakPolarHBondContact O-CB 3.34Å; L521-L525 WeakPolarHBondContact O-CG 3.46Å; L521-L525 PolarHBondContact O-N 2.76Å; D522-L525 PolarHBondContact O-N 2.72Å; L525-M527 VanDerWaalsContact C-N 3.34Å; L525-M527 PolarHBondContact O-N 3.5Å; L525-I528 CarbonylContact O-C 3.53Å; L525-I528 PolarHBondContact O-N 2.94Å; L525-I528 VanDerWaalsContact O-N 3.1Å; L525-D529 PolarHBondContact O-N 3.49Å
526D79.9Confident73.5Confident58 Ų5896 Ų9631%0.3144%0.442SS..Hα-helixtrans-63.8-36.4175.3170.760.7000112.3D522 K530D522-D526 WeakPolarHBondContact O-CB 3.28Å; D522-D526 PolarHBondContact O-N 2.73Å; D526-K530 VanDerWaalsContact O-CB 3.24Å; D526-K530 WeakPolarHBondContact O-CB 3.4Å; D526-K530 WeakPolarHBondContact O-CD 3.4Å; D526-K530 VanDerWaalsContact O-CG 3.27Å; D526-K530 WeakPolarHBondContact O-CG 3.37Å; D526-K530 PolarHBondContact O-N 3.13Å; D526-K530 WeakPolarHBondContact OD1-CD 3.35Å; D526-K530 WeakPolarHBondContact OD1-CE 3.49Å; D526-K530 IonicContact OD1-NZ 3.61Å; D526-K530 PolarHBondContact OD1-NZ 2.84Å; D526-K530 IonicContact OD2-NZ 3.61Å; D526-K530 PolarHBondContact OD2-NZ 3.3Å
527M69.1Low73.4Confident77 Ų7798.1 Ų98.138%0.37945%0.454SS..Hα-helixtrans-65.3-38.4169.5-79.7-164.6-60.300113E523 E524 L525 R531 K658E523-M527 WeakPolarHBondContact O-CB 3.4Å; E523-M527 WeakPolarHBondContact O-CG 3.5Å; E523-M527 PolarHBondContact O-N 2.79Å; E524-M527 HydrophobicContact CB-CE 4.44Å; E524-M527 HydrophobicContact CG-CE 3.75Å; E524-M527 PolarHBondContact O-N 2.82Å; L525-M527 VanDerWaalsContact C-N 3.34Å; L525-M527 PolarHBondContact O-N 3.5Å; M527-R531 VanDerWaalsContact O-CB 3.31Å; M527-R531 WeakPolarHBondContact O-CB 3.29Å; M527-R531 PolarHBondContact O-N 2.94Å; M527-K658 HydrophobicContact CE-CD 3.52Å; M527-K658 HydrophobicContact SD-CD 3.92Å
528I77.8Confident72.6Confident58 Ų5892.8 Ų92.830%0.29745%0.454SS..Hα-helixtrans-66.6-46.8176.1-73.2164.2000110.2E524 L525 K530 R531 I532 L684E524-I528 WeakPolarHBondContact O-CB 3.3Å; E524-I528 WeakPolarHBondContact O-CD1 3.2Å; E524-I528 VanDerWaalsContact O-CG1 3.23Å; E524-I528 WeakPolarHBondContact O-CG1 3.48Å; E524-I528 PolarHBondContact O-N 2.94Å; L525-I528 CarbonylContact O-C 3.53Å; L525-I528 PolarHBondContact O-N 2.94Å; L525-I528 VanDerWaalsContact O-N 3.1Å; I528-K530 PolarHBondContact O-N 3.28Å; I528-R531 CarbonylContact O-C 3.58Å; I528-R531 WeakPolarHBondContact O-CA 3.33Å; I528-R531 WeakPolarHBondContact O-CB 3.44Å; I528-R531 PolarHBondContact O-N 3.41Å; I528-I532 HydrophobicContact CG2-CD1 3.7Å; I528-I532 HydrophobicContact CG2-CG1 4.3Å; I528-I532 WeakPolarHBondContact O-CG1 3.32Å; I528-I532 PolarHBondContact O-N 3Å; I528-L684 HydrophobicContact CG2-CD1 4.43Å; I528-L684 HydrophobicContact CG2-CD2 4.32Å
529D75.5Confident71.5Confident90 Ų9093.7 Ų93.748%0.48147%0.469SS..Hα-helixtrans-67.7-35.5177.4-92.2-9.1000112.1L525 R531 I532 N533L525-D529 PolarHBondContact O-N 3.49Å; D529-R531 PolarHBondContact O-N 2.89Å; D529-I532 PolarHBondContact O-N 3.35Å; D529-N533 VanDerWaalsContact O-CB 3.24Å; D529-N533 WeakPolarHBondContact O-CB 3.49Å; D529-N533 PolarHBondContact O-N 3.49Å; D529-N533 PolarHBondContact O-ND2 2.91Å
530K74.8Confident69.5Low117 Ų11793.4 Ų93.451%0.50948%0.48SS..Hα-helixtrans-64.7-27169.7-78.4163.8174.51520112.6D526 I528 R534D526-K530 VanDerWaalsContact O-CB 3.24Å; D526-K530 WeakPolarHBondContact O-CB 3.4Å; D526-K530 WeakPolarHBondContact O-CD 3.4Å; D526-K530 VanDerWaalsContact O-CG 3.27Å; D526-K530 WeakPolarHBondContact O-CG 3.37Å; D526-K530 PolarHBondContact O-N 3.13Å; D526-K530 WeakPolarHBondContact OD1-CD 3.35Å; D526-K530 WeakPolarHBondContact OD1-CE 3.49Å; D526-K530 IonicContact OD1-NZ 3.61Å; D526-K530 PolarHBondContact OD1-NZ 2.84Å; D526-K530 IonicContact OD2-NZ 3.61Å; D526-K530 PolarHBondContact OD2-NZ 3.3Å; I528-K530 PolarHBondContact O-N 3.28Å; K530-R534 VanDerWaalsContact O-CG 3.31Å; K530-R534 WeakPolarHBondContact O-CG 3.32Å; K530-R534 PolarHBondContact O-N 3.3Å
531R72.6Confident67.6Low184 Ų18495.3 Ų95.369%0.69450%0.495SS*.Hα-helixtrans-80.9-41.8174.3-170.1173.3-178.7167.8-1.2112M527 I528 D529 R534 L535M527-R531 VanDerWaalsContact O-CB 3.31Å; M527-R531 WeakPolarHBondContact O-CB 3.29Å; M527-R531 PolarHBondContact O-N 2.94Å; I528-R531 CarbonylContact O-C 3.58Å; I528-R531 WeakPolarHBondContact O-CA 3.33Å; I528-R531 WeakPolarHBondContact O-CB 3.44Å; I528-R531 PolarHBondContact O-N 3.41Å; D529-R531 PolarHBondContact O-N 2.89Å; R531-R534 PolarHBondContact O-N 3.3Å; R531-L535 WeakPolarHBondContact O-CG 3.43Å; R531-L535 PolarHBondContact O-N 3.28Å
532I75.3Confident65.6Low41 Ų4196 Ų9621%0.2150%0.499CS..Hα-helixtrans-63.4-44.4173.7-69.8171000110.2I528 D529 R534 L535 R536I528-I532 HydrophobicContact CG2-CD1 3.7Å; I528-I532 HydrophobicContact CG2-CG1 4.3Å; I528-I532 WeakPolarHBondContact O-CG1 3.32Å; I528-I532 PolarHBondContact O-N 3Å; D529-I532 PolarHBondContact O-N 3.35Å; I532-R534 VanDerWaalsContact C-N 3.32Å; I532-R534 PolarHBondContact O-N 2.68Å; I532-L535 PolarHBondContact O-N 2.82Å; I532-R536 HydrophobicContact CG2-CG 4.18Å; I532-R536 WeakPolarHBondContact O-CB 3.47Å; I532-R536 WeakPolarHBondContact O-CG 3.39Å; I532-R536 PolarHBondContact O-N 3.31Å
533N71.8Confident63.5Low83 Ų8397.2 Ų97.244%0.44451%0.505SS..Hα-helixtrans-64.3-34.2175.9-76.4-57.7000112.4D529 L535 L537D529-N533 VanDerWaalsContact O-CB 3.24Å; D529-N533 WeakPolarHBondContact O-CB 3.49Å; D529-N533 PolarHBondContact O-N 3.49Å; D529-N533 PolarHBondContact O-ND2 2.91Å; N533-L535 VanDerWaalsContact C-N 3.34Å; N533-L537 WeakPolarHBondContact O-CB 3.3Å; N533-L537 VanDerWaalsContact O-CG 3.23Å; N533-L537 WeakPolarHBondContact O-CG 3.45Å; N533-L537 PolarHBondContact O-N 3.48Å
534R64.2Low61.6Low210 Ų21099.9 Ų99.979%0.79252%0.518SS*.Hα-helixtrans-67.8-30.6170.8-79.5179.4-177.3-145.13.3113.6K530 R531 I532 G538K530-R534 VanDerWaalsContact O-CG 3.31Å; K530-R534 WeakPolarHBondContact O-CG 3.32Å; K530-R534 PolarHBondContact O-N 3.3Å; R531-R534 PolarHBondContact O-N 3.3Å; I532-R534 VanDerWaalsContact C-N 3.32Å; I532-R534 PolarHBondContact O-N 2.68Å; R534-G538 PolarHBondContact O-N 2.84Å
535L68.3Low59.3Low115 Ų115103.8 Ų103.860%0.60254%0.536SS*.Hα-helixtrans-77.8-45.2175.9-69.6165.4000111.3R531 I532 N533 G538 S539R531-L535 WeakPolarHBondContact O-CG 3.43Å; R531-L535 PolarHBondContact O-N 3.28Å; I532-L535 PolarHBondContact O-N 2.82Å; N533-L535 VanDerWaalsContact C-N 3.34Å; L535-G538 PolarHBondContact O-N 3.19Å; L535-G538 VanDerWaalsContact O-N 3.07Å; L535-S539 WeakPolarHBondContact O-CB 3.32Å; L535-S539 PolarHBondContact O-N 3.49Å
536R64.1Low57Low145 Ų145103.2 Ų103.255%0.54754%0.541SS..Hα-helixtrans-64.5-40.2176.9-70.8-177.9175.2-171.2-4.2112.5I532 G538 E688I532-R536 HydrophobicContact CG2-CG 4.18Å; I532-R536 WeakPolarHBondContact O-CB 3.47Å; I532-R536 WeakPolarHBondContact O-CG 3.39Å; I532-R536 PolarHBondContact O-N 3.31Å; R536-G538 VanDerWaalsContact C-N 3.26Å; R536-G538 PolarHBondContact O-N 3.15Å; R536-E688 IonicContact CZ-OE1 3.61Å; R536-E688 IonicContact NE-OE1 3.72Å; R536-E688 IonicContact NH2-OE1 2.66Å; R536-E688 PolarHBondContact NH2-OE1 2.8Å
537L59.7Low54.8Low146 Ų146109 Ų10976%0.76457%0.566SS**THydrogen-bonded Turntrans-79.2-5.8172.6-63.8171.3000113.8N533N533-L537 WeakPolarHBondContact O-CB 3.3Å; N533-L537 VanDerWaalsContact O-CG 3.23Å; N533-L537 WeakPolarHBondContact O-CG 3.45Å; N533-L537 PolarHBondContact O-N 3.48Å
538G52.8Low53.1Low66 Ų66107.8 Ų107.868%0.6857%0.565SS**THydrogen-bonded Turntrans-101.2-3178.400000114.6R534 L535 R536R534-G538 PolarHBondContact O-N 2.84Å; L535-G538 PolarHBondContact O-N 3.19Å; L535-G538 VanDerWaalsContact O-N 3.07Å; R536-G538 VanDerWaalsContact C-N 3.26Å; R536-G538 PolarHBondContact O-N 3.15Å
539S50.7Low51.1Low99 Ų99109.9 Ų109.969%0.69257%0.573SS**SBendtrans-139.413.9-169.8-170.20000113.9L535L535-S539 WeakPolarHBondContact O-CB 3.32Å; L535-S539 PolarHBondContact O-N 3.49Å
540A34.2Very low49.2Very low65 Ų65109.4 Ų109.454%0.53758%0.577SS.*  trans-152.885.1-179.200000111.9D542A540-D542 WeakPolarHBondContact CA-OD2 3.38Å
541C35.3Very low47.2Very low110 Ų110111 Ų11174%0.74359%0.589SS**  trans-116.156.3155.5-88.40000108L543C541-L543 WeakPolarHBondContact O-CD1 3.12Å
542D38.8Very low45.5Very low111 Ų111110.9 Ų110.959%0.59459%0.594SS**  trans-150.9134.2-160.5-51.4-92.2000112.4A540A540-D542 WeakPolarHBondContact CA-OD2 3.38Å
543L34.6Very low43.5Very low63 Ų63116.6 Ų116.633%0.3362%0.624SS.*  cis-143.7-125.6-46.1-152.676.2000116C541 Y574 I575 V576C541-L543 WeakPolarHBondContact O-CD1 3.12Å; L543-Y574 HydrophobicContact CD1-CD1 4.27Å; L543-Y574 WeakPolarHBondContact O-CD1 3.31Å; L543-Y574 WeakPolarHBondContact O-CE1 3.25Å; L543-I575 VanDerWaalsContact CD1-CA 3.44Å; L543-I575 HydrophobicContact CD2-CG1 4.47Å; L543-V576 HydrophobicContact CB-CG2 4.02Å; L543-V576 HydrophobicContact CD1-CB 4.33Å; L543-V576 HydrophobicContact CD1-CG2 3.45Å; L543-V576 VanDerWaalsContact CD1-CG2 3.45Å; L543-V576 VanDerWaalsContact CD1-N 3.26Å; L543-V576 HydrophobicContact CD2-CB 3.96Å; L543-V576 HydrophobicContact CD2-CG2 3.78Å; L543-V576 HydrophobicContact CG-CG2 3.81Å
544H33.5Very low41.8Very low80 Ų80117 Ų11737%0.3763%0.634SS.*  trans-133.5153.5-149.9-145.8-127.6000112.5Y574 I575H544-Y574 AromaticContact CD2-CD2 3.73Å; H544-Y574 AromaticContact CD2-CG 3.7Å; H544-I575 HydrophobicContact CB-CG1 4.28Å
545E31.7Very low40.4Very low159 Ų159117.5 Ų117.574%0.74364%0.635SS**  trans57.1134.6164-76.1163.7134.600118.8
546S33.1Very low38.9Very low90 Ų90119.6 Ų119.663%0.62964%0.64SS**  cis-166.5153.6-6.757.80000112
547Q34Very low37.7Very low180 Ų180117.7 Ų117.784%0.84164%0.64SS**  trans64153.3154.8-65.9-17921.300118.5
548S32.3Very low36.7Very low51 Ų51116.9 Ų116.936%0.35764%0.636SS.*  cis-165.8169.1-15.6-96.80000112.1
549H36.5Very low35.9Very low102 Ų102121.2 Ų121.247%0.47264%0.638SS.*  trans87.593.4156.4-55.2-55.1000121.4T702 N704H549-T702 CarbonylContact O-C 3.57Å; H549-T702 VanDerWaalsContact O-CB 3.29Å; H549-T702 WeakPolarHBondContact O-CB 3.19Å; H549-T702 PolarHBondContact O-N 2.89Å; H549-T702 PolarHBondContact O-OG1 2.87Å; H549-N704 HydrophobicContact CB-CB 4Å
550S34.9Very low35.2Very low80 Ų80124.8 Ų124.856%0.55964%0.644SS**  93.7158.174.8-77.50000116.1T702S550-T702 PolarHBondContact O-OG1 3.04Å; S550-T702 VanDerWaalsContact O-OG1 3.07Å
551I34Very low35.3Very low150 Ų150126 Ų12677%0.76965%0.649SS**  trans85.3133.9168.3-55.6176.1000116.1
552K35.8Very low35.1Very low182 Ų182126.5 Ų126.579%0.79165%0.649SS**  cis-176.1170-30.8-133.1171.8-175.3175.90110.6
553L34.5Very low34.9Very low162 Ų162128.8 Ų128.885%0.84866%0.656SS**  trans72.4149.4164.9-58.9154.1000117.2
554S35.2Very low34.9Very low92 Ų92131.9 Ų131.964%0.64367%0.671SS**  cis-164.3140.6-27.364.70000108.3
555R35.7Very low34.8Very low220 Ų220134.4 Ų134.483%0.8369%0.688SS**  -172.6136.484.8-103.4177.7-178.6178.4-0.7108.1
556K36.7Very low34.9Very low158 Ų158132.7 Ų132.769%0.68768%0.684SS**  61133.492.9-69.5-164.6133.8-67.80113.6
557D38.7Very low35Very low106 Ų106135.6 Ų135.657%0.56769%0.692SS**  cis-157.4159.7-4.4-75-40.3000105.1
558L38.5Very low35.1Very low128 Ų128134.4 Ų134.467%0.6769%0.69SS**  cis-158.2-162.1-5.6-128.633.6000105.7
559E36.3Very low35Very low157 Ų157138 Ų13873%0.73471%0.71SS**  cis-147.1-91.77.7-159.793.4-120.100111.4
560E34.7Very low35Very low175 Ų175138.6 Ų138.682%0.81872%0.723SS**  trans-157.6168.6-158.4-100.5-173.1135.300112.2
561S35.8Very low35Very low90 Ų90145.8 Ų145.863%0.62974%0.737SS**  cis-161.6164.80.649.10000111.6
562T32.6Very low35.1Very low120 Ų120144 Ų14474%0.73673%0.73SS**  trans23.5141.4148.854.40000121.7
563E34.8Very low35.1Very low160 Ų160144.1 Ų144.175%0.74874%0.735SS**  cis-164.2154.920-127.3-179.1155.500112.8
564I33.2Very low35.2Very low128 Ų128142.3 Ų142.366%0.65672%0.718SS**  trans31.4105.2147.9-60.3160.6000119.1
565N32.8Very low35.3Very low133 Ų133143.7 Ų143.771%0.71172%0.717SS**  170.2148.499.7-115.6-32.3000116.6
566N33.4Very low35.2Very low123 Ų123136.1 Ų136.166%0.65870%0.695SS**  trans69.8124153.8-63.1-39.5000123.1
567N34.2Very low35.1Very low151 Ų151137.9 Ų137.981%0.80771%0.706SS**  trans91.2150.6152.5-53.2-48.4000120.9
568I36Very low34.9Very low154 Ų154135.8 Ų135.879%0.7971%0.709SS**  trans92.482.2161.9-47.1-178.2000119.1
569T31.5Very low34.6Very low128 Ų128135.1 Ų135.179%0.78572%0.715SS**  62173.6128.93.10000120.7
570P36.1Very low34.5Very low114 Ų114133.8 Ų133.874%0.7472%0.717SS**  -127.3163.6-117.442.5-25.7000117.6
571R33.6Very low34.5Very low230 Ų230136.1 Ų136.187%0.86872%0.721SS**  trans-159.7149159-115.6-171.6172.2169.7-1.6115.3
572N37.1Very low34.5Very low113 Ų113135 Ų13560%0.60472%0.723SS**  trans47.4127.8152.8-61.19.1000123.1
573M35.7Very low34.6Very low185 Ų185136.2 Ų136.291%0.91173%0.725SS**  trans-154.6159.8132.5-128.4166.474.100110.1
574Y35.8Very low34.6Very low123 Ų123136.2 Ų136.248%0.48273%0.73SS.*  trans-113.8172.3-163.6-65-106000113.3L543 H544L543-Y574 HydrophobicContact CD1-CD1 4.27Å; L543-Y574 WeakPolarHBondContact O-CD1 3.31Å; L543-Y574 WeakPolarHBondContact O-CE1 3.25Å; H544-Y574 AromaticContact CD2-CD2 3.73Å; H544-Y574 AromaticContact CD2-CG 3.7Å
575I37.6Very low34.8Very low121 Ų121133.1 Ų133.162%0.62173%0.73SS**  157.8131.7125.9-78.9158.9000113.9L543 H544L543-I575 VanDerWaalsContact CD1-CA 3.44Å; L543-I575 HydrophobicContact CD2-CG1 4.47Å; H544-I575 HydrophobicContact CB-CG1 4.28Å
576V33.2Very low34.9Very low62 Ų62134 Ų13438%0.37674%0.739SS.*  trans-100.6156.2165.8-153.60000108.3L543L543-V576 HydrophobicContact CB-CG2 4.02Å; L543-V576 HydrophobicContact CD1-CB 4.33Å; L543-V576 HydrophobicContact CD1-CG2 3.45Å; L543-V576 VanDerWaalsContact CD1-CG2 3.45Å; L543-V576 VanDerWaalsContact CD1-N 3.26Å; L543-V576 HydrophobicContact CD2-CB 3.96Å; L543-V576 HydrophobicContact CD2-CG2 3.78Å; L543-V576 HydrophobicContact CG-CG2 3.81Å
577E36.6Very low34.9Very low194 Ų194132.4 Ų132.491%0.90774%0.738SS**  -149.6164.9124.9-109.1170.4179.500106.4
578G33.9Very low35Very low62 Ų62130.3 Ų130.364%0.63973%0.727SS**  cis145.4161.420.600000106.9
579S32.4Very low34.9Very low115 Ų115132.9 Ų132.980%0.80473%0.727SS**  trans-63.7140.4-176.7-490000112.7Y581S579-Y581 PolarHBondContact O-N 3.23Å; S579-Y581 VanDerWaalsContact O-N 3.1Å
580V33.8Very low34.9Very low128 Ų128134.4 Ų134.478%0.77672%0.722SS**  trans-81.388.3168.5-179.10000109.4
581Y33.9Very low34.8Very low225 Ų225133.5 Ų133.588%0.88271%0.711SS**  trans-63.6143.4156.4-111.5-97.7000109.4S579S579-Y581 PolarHBondContact O-N 3.23Å; S579-Y581 VanDerWaalsContact O-N 3.1Å
582G37.2Very low34.8Very low66 Ų66131.9 Ų131.968%0.6871%0.706SS**  trans-160.114.4-162.900000122.2
583D34.3Very low34.5Very low145 Ų145130.6 Ų130.678%0.77571%0.706SS**  trans-162144.9145.8-132.2-27.6000115.6
584N35.3Very low34.4Very low161 Ų161129.4 Ų129.486%0.86170%0.704SS**  trans151.658.1153.8-85.1-65.1000114.6
585G35.8Very low34.3Very low63 Ų63130.7 Ų130.765%0.64972%0.718SS**  72.8171.5129.200000122.4
586V36.1Very low34.3Very low150 Ų150130.1 Ų130.191%0.90972%0.722SS**  trans68.2128.1168-170.10000115.9
587S32Very low34.3Very low90 Ų90133.4 Ų133.463%0.62974%0.737SS**  cis-166.3174.4-19.9-171.10000109.4
588D36.6Very low34Very low107 Ų107130.1 Ų130.157%0.57273%0.725SS**  trans69.8117.8151.6-74.5-69.7000121.7
589R34.6Very low34.2Very low208 Ų208133.9 Ų133.979%0.78573%0.73SS**  78.1118.6128.6-69.1174.9-161.8-145.1-0.3117.5
590K32Very low34.2Very low161 Ų161134.9 Ų134.970%0.773%0.726SS**  70139.378.7-76.7177.4138.4-76.10112
591D32.4Very low34.1Very low94 Ų94135.8 Ų135.850%0.50373%0.726SS.*  cis-157.2-175.89.2-95.1-40000108.8
592Y33.6Very low34.2Very low196 Ų196131.8 Ų131.877%0.76973%0.725SS**  trans50.4102.4154.8-57.5-52.1000119.3
593S31Very low34.1Very low86 Ų86137.4 Ų137.460%0.60173%0.731SS**  66.51238175.80000116.6
594N35Very low34.2Very low161 Ų161136 Ų13686%0.86173%0.73SS**  trans151148.7137.2-76.7-39.7000114.7
595L32.5Very low34.3Very low150 Ų150136.5 Ų136.579%0.78572%0.724SS**  trans-65.3168165-74.7161.6000111
596P37.2Very low34.3Very low108 Ų108138.2 Ų138.270%0.70172%0.722SS**  cis-147.116044.540.5-17.3000117.8
597I32.9Very low34.1Very low132 Ų132138 Ų13868%0.67772%0.716SS**  57.5124.590.8-41160.8000111.8
598D31.8Very low34.3Very low125 Ų125142.8 Ų142.867%0.66873%0.728SS**  178.5-17457.8-146-19.2000115
599L37.1Very low34Very low140 Ų140144 Ų14473%0.73374%0.74SS**  trans64.8122160.4-94.863.2000119.1
600L33.6Very low34Very low137 Ų137139.7 Ų139.772%0.71774%0.739SS**  cis97.2137.319.4-68.6172.5000118.4
601N32Very low34Very low147 Ų147136.7 Ų136.779%0.78674%0.738SS**  trans76.2149.3165.9-53.9-44.9000116.4
602T36Very low33.9Very low141 Ų141139.7 Ų139.787%0.86575%0.753SS**  cis-132.3174.522.349.60000115
603K33.3Very low33.9Very low183 Ų183136.3 Ų136.380%0.79676%0.756SS**  trans-146.3145-174.3-171.2-173.9-175.1-174.20111.4
604P38.4Very low33.7Very low117 Ų117139.8 Ų139.876%0.7677%0.766SS**  -125.5147.3128.7319.1000111.1
605K36.7Very low33.3Very low171 Ų171139.9 Ų139.974%0.74377%0.766SS**  cis77.2134.348.6-70.8-157.8173.1-170.10112.7
606T34.8Very low33.1Very low99 Ų99137.7 Ų137.761%0.60776%0.763SS**  cis-164153.12.67.80000112.1
607D32.6Very low32.8Very low144 Ų144140.7 Ų140.777%0.7777%0.768SS**  trans58.7160.4146.2-45.3-28.4000120.1
608E35.3Very low32.8Very low192 Ų192140.5 Ų140.590%0.89778%0.775SS**  cis-130168.210.5-72.3-177.9146.600114
609T31.5Very low32.6Very low132 Ų132138 Ų13881%0.8177%0.765SS**  trans-113.7159.6174.8-11.60000110.1
610P35.3Very low32.2Very low117 Ų117135.8 Ų135.876%0.7676%0.757SS**  -157.2155.889.840.5-20.3000119.6
611S31.3Very low31.9Very low99 Ų99133.9 Ų133.969%0.69275%0.751SS**  trans17.2128.4148.662.30000124.4
612L30.5Very low31.8Very low156 Ų156133.1 Ų133.182%0.81775%0.752SS**  36136.4114.2-66175.6000119.8
613P32.7Very low31.3Very low126 Ų126130.4 Ų130.482%0.81874%0.743SS**  -140.9179.67441.6-27.1000117.3
614L26.8Very low31.2Very low158 Ų158130.1 Ų130.183%0.82775%0.75SS**  trans-77.1178.8170.8-72.9157.7000112.5
615L27.5Very low30.7Very low164 Ų164131.6 Ų131.686%0.85975%0.751SS**  trans101.9150.6152.2-142.174.1000118
616S28.5Very low30.3Very low104 Ų104127.9 Ų127.973%0.72774%0.742SS**  trans76.3123.9163.6-56.20000119.3
617Q29.7Very low30Very low170 Ų170132 Ų13279%0.79475%0.753SS**  trans-69.2168.3157.7-64.9169.6-30.500109.9
618P34Very low29.8Very low129 Ų129130.6 Ų130.684%0.83875%0.754SS**  -133.8141.511337.1-29.9000114.2
619T26.7Very low29.5Very low72 Ų72126.7 Ų126.744%0.44275%0.748SS.*  trans-77.6-176.2157.5-50.90000109.1M1077T619-M1077 HydrophobicContact CG2-CB 4.43Å; T619-M1077 HydrophobicContact CG2-CG 3.59Å; T619-M1077 HydrophobicContact CG2-SD 3.57Å; T619-M1077 VanDerWaalsContact CG2-SD 3.57Å
620T28.7Very low29.4Very low94 Ų94130 Ų13058%0.57775%0.754SS**  trans108.996.3167.7-53.70000116.5H1076T620-H1076 WeakPolarHBondContact CA-NE2 3.45Å; T620-H1076 WeakPolarHBondContact CB-NE2 2.91Å; T620-H1076 WeakPolarHBondContact CG2-NE2 3.05Å; T620-H1076 PolarHBondContact N-NE2 2.85Å; T620-H1076 PolarHBondContact OG1-NE2 3.26Å
621T27Very low29.1Very low96 Ų96129.1 Ų129.159%0.58975%0.751SS**  trans-43.9134.6154.3-48.30000114.4
622V30.1Very low29.2Very low132 Ų132130.9 Ų130.980%0.876%0.757SS**  trans-141.2137.5136.7178.90000107.2
623A26.6Very low29.1Very low83 Ų83127.3 Ų127.369%0.68675%0.751SS**  trans-101.9140.717100000110.4
624L30.9Very low29.1Very low177 Ų177128.3 Ų128.393%0.92775%0.754SS**  trans-128.6151.2158.4-76.3178.3000108.5
625N28.1Very low29.1Very low148 Ų148125.5 Ų125.579%0.79175%0.748SS**  trans-135.6166-146.8-162.38.2000112.3
626V27.8Very low29.3Very low93 Ų93126.7 Ų126.756%0.56475%0.749SS**  trans68148.7163.4-125.20000120.4
627F27.2Very low29.3Very low187 Ų187130.9 Ų130.982%0.8275%0.754SS**  trans65.5137.8160.6-58.3-53.5000118.5
628S28.9Very low29.3Very low114 Ų114130.2 Ų130.280%0.79775%0.754SS**  cis-148.5166.17.9-102.50000112.7
629S29.3Very low29.1Very low110 Ų110129.2 Ų129.277%0.76975%0.75SS**  trans-104.7139.8170.153.90000111.2
630E30.5Very low29.3Very low200 Ų200130.6 Ų130.694%0.93577%0.769SS**  trans-152.6152.5156-132173.817700116.7
631S28.9Very low29.1Very low99 Ų99131.3 Ų131.369%0.69278%0.778SS**  trans-45.4156.9176.1-165.30000117.6
632T31.8Very low29.2Very low136 Ų136135.2 Ų135.283%0.83479%0.791SS**  -167.4137.6107-70.80000110.2
633A28.5Very low29.2Very low82 Ų82133.3 Ų133.368%0.67879%0.789SS**  trans-108.1158.7179.400000112.2
634V32.9Very low29.3Very low147 Ų147134.2 Ų134.289%0.89179%0.791SS**  trans-133.3125.4159.8-179.10000109
635S26.9Very low29.3Very low99 Ų99131.9 Ų131.969%0.69278%0.779SS**  trans-88.4156.7179-50.30000111.8
636Q32.1Very low29.7Very low188 Ų188130.8 Ų130.888%0.87977%0.774SS**  177.796.5118.3-94.6165.916.400114
637K28.5Very low30.1Very low193 Ų193134.6 Ų134.684%0.83979%0.785SS**  16.1121.4116.8-176.1-175.4-173.3179.30116.9
638I30.5Very low30.5Very low155 Ų155130.7 Ų130.780%0.79578%0.781SS**  -171.8123.8128.9-99.1154.5000113
639S29.3Very low30.9Very low108 Ų108130.7 Ų130.776%0.75578%0.776SS**  trans53129.5146-550000125.8
640A30.1Very low31.3Very low101 Ų101135.4 Ų135.484%0.83578%0.779SS**  87.6128.4127.200000121.3
641S25.5Very low31.7Very low109 Ų109132.2 Ų132.276%0.76277%0.768SS**  trans-82.5158.6162.849.40000111.8
642M28.6Very low32.1Very low178 Ų178132.2 Ų132.288%0.87776%0.764SS**  175.1160.3116.3-92.3-168.288.300111.8
643A30.3Very low32.4Very low92 Ų92129.9 Ų129.976%0.7674%0.744SS**  trans68.7118.5159.700000120.5
644S29Very low32.8Very low103 Ų103128.1 Ų128.172%0.7273%0.727SS**  trans-39146.6156.952.30000118.1
645N31.4Very low33Very low127 Ų127124.5 Ų124.568%0.67971%0.705SS**  -176.3140.299.4-99.949.8000113.2
646D34.9Very low33.4Very low126 Ų126124 Ų12467%0.67470%0.697SS**  trans56.4131.7139.9-53.7-24.7000125.8
647Q37.1Very low33.3Very low173 Ų173120 Ų12081%0.80869%0.686SS**  trans80.9106.2141.9-71.3172.223.300123.7
648S36.1Very low33.6Very low104 Ų104114.5 Ų114.573%0.72766%0.662SS**  111.3119.7115.672.60000123.9
649T37Very low33.6Very low114 Ų114110.8 Ų110.870%0.69964%0.638SS**  trans77.9104.5136.553.10000126.3
650Y38.3Very low34.1Very low210 Ų210110.2 Ų110.282%0.82463%0.633SS**  83129.8119-75.5-52.5000128.1
651N37.9Very low34.2Very low133 Ų133106.6 Ų106.671%0.71160%0.599SS**  trans116.896130.4-75.8-0.3000124.8
652T37.6Very low34.5Very low99 Ų99106.6 Ų106.661%0.60760%0.6SS**  53.3117.2121.540.10000126.6
653E38.8Very low35.1Very low86 Ų86104.7 Ų104.740%0.40259%0.586SS.*  51.7162.7105.4-74.2-154.2-113.200124.9
654S35.2Very low35.3Very low46 Ų46105 Ų10532%0.32258%0.581SS.*  cis-125.4-110.3-6.8-149.50000114.1K519K519-S654 WeakPolarHBondContact CD-OG 3.37Å; K519-S654 WeakPolarHBondContact CE-OG 3.44Å; K519-S654 VanDerWaalsContact CG-OG 3.27Å; K519-S654 WeakPolarHBondContact CG-OG 3.25Å; K519-S654 PolarHBondContact NZ-OG 3.35Å
655T39Very low35.8Very low70 Ų70105.5 Ų105.543%0.42957%0.574SS.*  cis-159.9174.1-3.1-34.70000109.1D522 E523D522-T655 HydrophobicContact CB-CG2 4.36Å; E523-T655 HydrophobicContact CB-CG2 3.86Å; E523-T655 HydrophobicContact CG-CG2 4.48Å
656V33.6Very low36.5Very low89 Ų89104.8 Ų104.854%0.53957%0.574SS.*  trans-128.6-175.4-167.9174.80000113.7
657V30.9Very low37.1Very low104 Ų104101 Ų10163%0.6357%0.566SS**  trans-116.3109.1173.9175.60000111.6
658K35.1Very low37.9Very low78 Ų7898 Ų9834%0.33956%0.559SS.*  trans-61.8139.7173.4-128.1164-175.61630113E523 E524 M527E523-K658 WeakPolarHBondContact OE1-CA 3.26Å; E523-K658 VanDerWaalsContact OE1-CB 3.3Å; E523-K658 WeakPolarHBondContact OE1-CB 3.42Å; E523-K658 PolarHBondContact OE1-N 3.25Å; E524-K658 IonicContact OE1-NZ 2.66Å; E524-K658 PolarHBondContact OE1-NZ 3Å; M527-K658 HydrophobicContact CE-CD 3.52Å; M527-K658 HydrophobicContact SD-CD 3.92Å
659Y31Very low39.1Very low77 Ų7797.8 Ų97.830%0.30255%0.549SS..  trans-108.7145.4152-88.1-82.2000108.8K53 Q56 L57 V60K53-Y659 PolarHBondContact O-OH 3.4Å; Q56-Y659 HydrophobicContact CB-CD2 4.18Å; Q56-Y659 HydrophobicContact CB-CE2 3.57Å; L57-Y659 WeakPolarHBondContact CA-OH 3.41Å; L57-Y659 WeakPolarHBondContact CB-OH 3.25Å; L57-Y659 HydrophobicContact CD1-CE1 3.73Å; L57-Y659 PolarHBondContact N-OH 2.81Å; V60-Y659 HydrophobicContact CB-CD1 4.09Å; V60-Y659 HydrophobicContact CB-CG 4.16Å; V60-Y659 HydrophobicContact CG1-CD1 3.76Å; V60-Y659 HydrophobicContact CG1-CG 4.08Å; V60-Y659 VanDerWaalsContact CG2-CB 3.45Å; V60-Y659 HydrophobicContact CG2-CD1 4.01Å; V60-Y659 HydrophobicContact CG2-CD2 3.93Å; V60-Y659 HydrophobicContact CG2-CG 3.55Å
660C38.3Very low40.1Very low96 Ų9692.8 Ų92.865%0.64952%0.519SS*.  trans-134.4145.1176.9-70.50000111.3
661I31.7Very low41.4Very low24 Ų2486.7 Ų86.712%0.12350%0.498CS..  trans-133.4125.4178.6-66.2156.2000104.9V60 K63 D64 R67V60-I661 HydrophobicContact CB-CD1 4.48Å; V60-I661 HydrophobicContact CG1-CD1 3.69Å; V60-I661 HydrophobicContact CG1-CG1 3.75Å; V60-I661 WeakPolarHBondContact O-CD1 3.5Å; K63-I661 HydrophobicContact CB-CD1 3.46Å; K63-I661 VanDerWaalsContact CB-CD1 3.46Å; D64-I661 HydrophobicContact CB-CG1 4.49Å; D64-I661 WeakPolarHBondContact OD1-CG2 3.34Å; R67-I661 VanDerWaalsContact CZ-CG2 3.44Å; R67-I661 PolarHBondContact NH1-O 2.73Å; R67-I661 VanDerWaalsContact NH2-CD1 3.26Å
662S32.2Very low42.9Very low110 Ų11085 Ų8577%0.76948%0.482SS*.  trans-148.199.3-178.857.60000109.7
663K41.2Very low44.3Very low138 Ų13882.6 Ų82.660%0.647%0.472SS*.PPolyproline II helixtrans-95.7149147-87-170.2170-172.70109.4D71D71-K663 WeakPolarHBondContact OD2-CB 3.47Å; D71-K663 WeakPolarHBondContact OD2-CD 3.32Å
664P36.1Very low45.9Very low98 Ų9884.6 Ų84.664%0.63648%0.476SS*.PPolyproline II helixtrans-100.4126.3-146.534.2-28.6000111.2T666P664-T666 PolarHBondContact O-N 2.92Å
665I38.8Very low47.6Very low113 Ų11383.2 Ų83.258%0.57947%0.465SS*.PPolyproline II helixtrans-60.7128.1165.9-43.6176.2000107.3L669 A670I665-L669 HydrophobicContact CB-CB 4.17Å; I665-L669 HydrophobicContact CD1-CB 4.31Å; I665-L669 HydrophobicContact CD1-CD1 4.24Å; I665-L669 HydrophobicContact CG2-CB 3.54Å; I665-L669 HydrophobicContact CG2-CD1 4.05Å; I665-L669 HydrophobicContact CG2-CG 4.44Å; I665-A670 WeakPolarHBondContact O-CB 3.49Å
666T45.4Very low49.5Very low112 Ų11284.9 Ų84.969%0.68747%0.47SS*.  trans-127.3129-175.339.80000110P664P664-T666 PolarHBondContact O-N 2.92Å
667G48.2Very low51.5Low48 Ų4885.8 Ų85.850%0.49547%0.471SS..SBendtrans90.1145.3-159.700000111.8L669 A670G667-L669 PolarHBondContact O-N 3.26Å; G667-A670 WeakPolarHBondContact O-CB 3.28Å; G667-A670 PolarHBondContact O-N 3.22Å
668V53.4Low53.7Low109 Ų10984.2 Ų84.266%0.66145%0.454SS*.THydrogen-bonded Turntrans31.2-72.8179.1-172.60000116.8A670 E671 R672V668-A670 PolarHBondContact O-N 2.83Å; V668-A670 VanDerWaalsContact O-N 3.09Å; V668-E671 CarbonylContact O-C 3.52Å; V668-E671 WeakPolarHBondContact O-CA 3.5Å; V668-E671 WeakPolarHBondContact O-CB 3.18Å; V668-E671 PolarHBondContact O-N 3.17Å; V668-R672 PolarHBondContact O-N 3.44Å
669L61Low55.8Low100 Ų10084 Ų8452%0.52446%0.455SS..Hα-helixtrans-51.7-28170.3-85.2160.4000113.5I665 G667 A673I665-L669 HydrophobicContact CB-CB 4.17Å; I665-L669 HydrophobicContact CD1-CB 4.31Å; I665-L669 HydrophobicContact CD1-CD1 4.24Å; I665-L669 HydrophobicContact CG2-CB 3.54Å; I665-L669 HydrophobicContact CG2-CD1 4.05Å; I665-L669 HydrophobicContact CG2-CG 4.44Å; G667-L669 PolarHBondContact O-N 3.26Å; L669-A673 VanDerWaalsContact O-CB 3.25Å; L669-A673 WeakPolarHBondContact O-CB 3.15Å; L669-A673 PolarHBondContact O-N 2.76Å
670A58Low58Low9 Ų985.2 Ų85.27%0.07446%0.464CS..Hα-helixtrans-69.8-41.317200000113.3I665 G667 V668 R674I665-A670 WeakPolarHBondContact O-CB 3.49Å; G667-A670 WeakPolarHBondContact O-CB 3.28Å; G667-A670 PolarHBondContact O-N 3.22Å; V668-A670 PolarHBondContact O-N 2.83Å; V668-A670 VanDerWaalsContact O-N 3.09Å; A670-R674 WeakPolarHBondContact O-CG 3.41Å; A670-R674 PolarHBondContact O-N 3.38Å; A670-R674 VanDerWaalsContact O-N 3.08Å
671E65.9Low59.8Low82 Ų8287.5 Ų87.538%0.38346%0.463SS..Hα-helixtrans-59-61.6169.2-125.560.4-107.300107.8V668 A673 R674 D675V668-E671 CarbonylContact O-C 3.52Å; V668-E671 WeakPolarHBondContact O-CA 3.5Å; V668-E671 WeakPolarHBondContact O-CB 3.18Å; V668-E671 PolarHBondContact O-N 3.17Å; E671-A673 PolarHBondContact O-N 2.69Å; E671-R674 CarbonylContact O-C 3.5Å; E671-R674 WeakPolarHBondContact O-CA 3.47Å; E671-R674 WeakPolarHBondContact O-CB 3.32Å; E671-R674 PolarHBondContact O-N 3.35Å; E671-R674 IonicContact OE1-CZ 3.08Å; E671-R674 IonicContact OE1-NE 3.72Å; E671-R674 PolarHBondContact OE1-NE 2.81Å; E671-R674 IonicContact OE1-NH2 2.65Å; E671-R674 PolarHBondContact OE1-NH2 3.15Å; E671-R674 IonicContact OE2-NH2 2.9Å; E671-R674 PolarHBondContact OE2-NH2 2.64Å; E671-D675 WeakPolarHBondContact O-CB 3.36Å; E671-D675 PolarHBondContact O-N 3.2Å
672R70.6Confident61.9Low97 Ų9788.8 Ų88.837%0.36648%0.477SS..Hα-helixtrans-48.4-38.4177.5-102.1-176.3-169.7-158.34.9113.4D339 V668 D675 L676D339-R672 IonicContact OD2-CZ 2.99Å; D339-R672 IonicContact OD2-NE 2.82Å; D339-R672 IonicContact OD2-NH2 2.68Å; D339-R672 PolarHBondContact OD2-NH2 3.48Å; V668-R672 PolarHBondContact O-N 3.44Å; R672-D675 PolarHBondContact N-OD2 2.95Å; R672-D675 PolarHBondContact O-N 2.9Å; R672-L676 WeakPolarHBondContact O-CB 3.3Å; R672-L676 PolarHBondContact O-N 3.07Å
673A65.9Low64Low48 Ų4890.7 Ų90.740%0.39747%0.472SS..Hα-helixtrans-70.9-43.4175.400000112.8L669 E671 D675 I677L669-A673 VanDerWaalsContact O-CB 3.25Å; L669-A673 WeakPolarHBondContact O-CB 3.15Å; L669-A673 PolarHBondContact O-N 2.76Å; E671-A673 PolarHBondContact O-N 2.69Å; A673-D675 VanDerWaalsContact C-N 3.25Å; A673-D675 PolarHBondContact O-N 3.33Å; A673-I677 WeakPolarHBondContact O-CB 3.49Å; A673-I677 WeakPolarHBondContact O-CD1 3.25Å; A673-I677 VanDerWaalsContact O-CG1 3.24Å; A673-I677 WeakPolarHBondContact O-CG1 3.45Å; A673-I677 PolarHBondContact O-N 2.94Å; A673-I677 VanDerWaalsContact O-N 3.09Å
674R72.2Confident65.4Low129 Ų12987.7 Ų87.749%0.48746%0.461SS..Hα-helixtrans-62.5-34.2171.4-70.3-175.8-72.4-122.19.3111.7A670 E671 R678A670-R674 WeakPolarHBondContact O-CG 3.41Å; A670-R674 PolarHBondContact O-N 3.38Å; A670-R674 VanDerWaalsContact O-N 3.08Å; E671-R674 CarbonylContact O-C 3.5Å; E671-R674 WeakPolarHBondContact O-CA 3.47Å; E671-R674 WeakPolarHBondContact O-CB 3.32Å; E671-R674 PolarHBondContact O-N 3.35Å; E671-R674 IonicContact OE1-CZ 3.08Å; E671-R674 IonicContact OE1-NE 3.72Å; E671-R674 PolarHBondContact OE1-NE 2.81Å; E671-R674 IonicContact OE1-NH2 2.65Å; E671-R674 PolarHBondContact OE1-NH2 3.15Å; E671-R674 IonicContact OE2-NH2 2.9Å; E671-R674 PolarHBondContact OE2-NH2 2.64Å; R674-R678 PolarHBondContact O-N 3.27Å
675D71.8Confident67.2Low16 Ų1687.6 Ų87.69%0.08646%0.455CS..Hα-helixtrans-70.5-49178-67.1-38.1000112.5N332 E671 R672 A673 I677 R678 I679N332-D675 WeakPolarHBondContact ND2-CB 3.43Å; N332-D675 PolarHBondContact ND2-OD1 3.42Å; N332-D675 PolarHBondContact OD1-OD1 3.33Å; E671-D675 WeakPolarHBondContact O-CB 3.36Å; E671-D675 PolarHBondContact O-N 3.2Å; R672-D675 PolarHBondContact N-OD2 2.95Å; R672-D675 PolarHBondContact O-N 2.9Å; A673-D675 VanDerWaalsContact C-N 3.25Å; A673-D675 PolarHBondContact O-N 3.33Å; D675-I677 VanDerWaalsContact C-N 3.27Å; D675-I677 PolarHBondContact O-N 3.23Å; D675-R678 WeakPolarHBondContact O-CB 3.13Å; D675-R678 PolarHBondContact O-N 3.37Å; D675-R678 VanDerWaalsContact O-N 3.12Å; D675-R678 IonicContact OD1-CZ 2.91Å; D675-R678 IonicContact OD1-NE 3.89Å; D675-R678 IonicContact OD1-NH1 2.73Å; D675-R678 PolarHBondContact OD1-NH1 2.72Å; D675-R678 IonicContact OD1-NH2 3.53Å; D675-R678 PolarHBondContact OD1-NH2 2.84Å; D675-I679 VanDerWaalsContact O-CG1 3.29Å; D675-I679 WeakPolarHBondContact O-CG1 3.21Å; D675-I679 PolarHBondContact O-N 3.44Å
676L78Confident68.8Low105 Ų10586.3 Ų86.355%0.5545%0.45SS..Hα-helixtrans-55.7-43171.6-89.7157.6000111.5R672 I679 Q680R672-L676 WeakPolarHBondContact O-CB 3.3Å; R672-L676 PolarHBondContact O-N 3.07Å; L676-I679 PolarHBondContact O-N 3.21Å; L676-Q680 WeakPolarHBondContact O-CB 3.37Å; L676-Q680 WeakPolarHBondContact O-CG 3.24Å; L676-Q680 PolarHBondContact O-N 2.86Å
677I77.1Confident69.7Low109 Ų10986.5 Ų86.556%0.55945%0.446SS*.Hα-helixtrans-65.2-40.5176.1-69.6166.8000111.5A673 D675 K681A673-I677 WeakPolarHBondContact O-CB 3.49Å; A673-I677 WeakPolarHBondContact O-CD1 3.25Å; A673-I677 VanDerWaalsContact O-CG1 3.24Å; A673-I677 WeakPolarHBondContact O-CG1 3.45Å; A673-I677 PolarHBondContact O-N 2.94Å; A673-I677 VanDerWaalsContact O-N 3.09Å; D675-I677 VanDerWaalsContact C-N 3.27Å; D675-I677 PolarHBondContact O-N 3.23Å; I677-K681 WeakPolarHBondContact O-CB 3.21Å; I677-K681 PolarHBondContact O-N 2.92Å
678R76.1Confident70.1Confident70 Ų7088.2 Ų88.226%0.26444%0.441SS..Hα-helixtrans-61.5-47.6173.1-95.5-176.3-86.3134.2-4.5111.7L328 N332 R674 D675 K681 A682L328-R678 PolarHBondContact O-NH1 3.48Å; N332-R678 PolarHBondContact ND2-NH1 2.73Å; N332-R678 PolarHBondContact OD1-NH1 3.36Å; R674-R678 PolarHBondContact O-N 3.27Å; D675-R678 WeakPolarHBondContact O-CB 3.13Å; D675-R678 PolarHBondContact O-N 3.37Å; D675-R678 VanDerWaalsContact O-N 3.12Å; D675-R678 IonicContact OD1-CZ 2.91Å; D675-R678 IonicContact OD1-NE 3.89Å; D675-R678 IonicContact OD1-NH1 2.73Å; D675-R678 PolarHBondContact OD1-NH1 2.72Å; D675-R678 IonicContact OD1-NH2 3.53Å; D675-R678 PolarHBondContact OD1-NH2 2.84Å; R678-K681 PolarHBondContact O-N 2.74Å; R678-A682 PolarHBondContact O-N 3.5Å
679I79.5Confident70.5Confident73 Ų7389.7 Ų89.737%0.37444%0.438SS..Hα-helixtrans-62.8-43.7180-68.1163.6000111.2N332 D675 L676 A682 K683N332-I679 HydrophobicContact CB-CD1 4.49Å; D675-I679 VanDerWaalsContact O-CG1 3.29Å; D675-I679 WeakPolarHBondContact O-CG1 3.21Å; D675-I679 PolarHBondContact O-N 3.44Å; L676-I679 PolarHBondContact O-N 3.21Å; I679-A682 PolarHBondContact O-N 3.11Å; I679-K683 PolarHBondContact O-N 3.36Å
680Q77.5Confident70Confident104 Ų10493.2 Ų93.249%0.48645%0.446SS..Hα-helixtrans-62.4-43.1174.9-75.5-179.8-14.900112.1L676 A682 K683 L684L676-Q680 WeakPolarHBondContact O-CB 3.37Å; L676-Q680 WeakPolarHBondContact O-CG 3.24Å; L676-Q680 PolarHBondContact O-N 2.86Å; Q680-A682 VanDerWaalsContact C-N 3.35Å; Q680-A682 PolarHBondContact O-N 3.43Å; Q680-K683 PolarHBondContact O-N 3.38Å; Q680-L684 PolarHBondContact O-N 2.66Å
681K76Confident69.7Low144 Ų14499 Ų9963%0.62647%0.469SS*.Hα-helixtrans-63.2-39.4177.3-166.8-177.7-179.6-170.10112I677 R678 L684 L685I677-K681 WeakPolarHBondContact O-CB 3.21Å; I677-K681 PolarHBondContact O-N 2.92Å; R678-K681 PolarHBondContact O-N 2.74Å; K681-L684 PolarHBondContact O-N 3.11Å; K681-L685 HydrophobicContact CG-CD1 4.38Å; K681-L685 WeakPolarHBondContact O-CG 3.27Å; K681-L685 PolarHBondContact O-N 3.05Å
682A75.4Confident68.7Low50 Ų5098.9 Ų98.941%0.41348%0.478SS..Hα-helixtrans-65.2-41.9175.300000112.5R678 I679 Q680 L685 N686R678-A682 PolarHBondContact O-N 3.5Å; I679-A682 PolarHBondContact O-N 3.11Å; Q680-A682 VanDerWaalsContact C-N 3.35Å; Q680-A682 PolarHBondContact O-N 3.43Å; A682-L685 PolarHBondContact O-N 3.12Å; A682-N686 PolarHBondContact O-N 2.96Å; A682-N686 VanDerWaalsContact O-N 3.14Å
683K76.9Confident67.4Low151 Ų15199 Ų9966%0.65749%0.489SS*.Hα-helixtrans-61.8-43.9174.9-74.8-176.8178-177.20112I679 Q680 N686 L687I679-K683 PolarHBondContact O-N 3.36Å; Q680-K683 PolarHBondContact O-N 3.38Å; K683-N686 PolarHBondContact O-N 3.2Å; K683-L687 WeakPolarHBondContact O-CB 3.31Å; K683-L687 PolarHBondContact O-N 3.1Å
684L70.5Confident66.3Low74 Ų74100.5 Ų100.539%0.38750%0.497SS..Hα-helixtrans-63.5-44.7176.8-76.8170.2000112.7I528 Q680 K681 N686 L687 E688I528-L684 HydrophobicContact CG2-CD1 4.43Å; I528-L684 HydrophobicContact CG2-CD2 4.32Å; Q680-L684 PolarHBondContact O-N 2.66Å; K681-L684 PolarHBondContact O-N 3.11Å; L684-N686 VanDerWaalsContact C-N 3.27Å; L684-N686 PolarHBondContact O-N 2.79Å; L684-L687 PolarHBondContact O-N 2.94Å; L684-L687 VanDerWaalsContact O-N 3.16Å; L684-E688 WeakPolarHBondContact O-CB 3.18Å; L684-E688 PolarHBondContact O-N 2.63Å
685L72.8Confident64.7Low96 Ų96101.6 Ų101.650%0.50351%0.507SS..Hα-helixtrans-63.3-31.2178-77168000113.3K681 A682 K689K681-L685 HydrophobicContact CG-CD1 4.38Å; K681-L685 WeakPolarHBondContact O-CG 3.27Å; K681-L685 PolarHBondContact O-N 3.05Å; A682-L685 PolarHBondContact O-N 3.12Å; L685-K689 WeakPolarHBondContact O-CG 3.05Å; L685-K689 PolarHBondContact O-N 2.86Å
686N71.9Confident62.9Low87 Ų87108 Ų10847%0.46554%0.541SS..Hα-helixtrans-77.3-38.1172.5-75.3-23000112.1A682 K683 L684 K689 Y690A682-N686 PolarHBondContact O-N 2.96Å; A682-N686 VanDerWaalsContact O-N 3.14Å; K683-N686 PolarHBondContact O-N 3.2Å; L684-N686 VanDerWaalsContact C-N 3.27Å; L684-N686 PolarHBondContact O-N 2.79Å; N686-K689 WeakPolarHBondContact O-CB 3.25Å; N686-K689 PolarHBondContact O-N 2.91Å; N686-Y690 VanDerWaalsContact O-CD2 3.24Å; N686-Y690 WeakPolarHBondContact O-CD2 3.2Å; N686-Y690 PolarHBondContact O-N 3.05Å
687L64.5Low60.8Low115 Ų115107.4 Ų107.460%0.60255%0.545SS*.Hα-helixtrans-68.5-36.5177.9-156.274.5000112.2K683 L684 Y690 K691K683-L687 WeakPolarHBondContact O-CB 3.31Å; K683-L687 PolarHBondContact O-N 3.1Å; L684-L687 PolarHBondContact O-N 2.94Å; L684-L687 VanDerWaalsContact O-N 3.16Å; L687-Y690 PolarHBondContact O-N 2.98Å; L687-K691 PolarHBondContact O-N 2.83Å
688E57.7Low58.7Low84 Ų84111.5 Ų111.539%0.39356%0.562SS.*Hα-helixtrans-67.5-37175-167.1158-137.400111.4R536 L684 Y690 K691 S692R536-E688 IonicContact CZ-OE1 3.61Å; R536-E688 IonicContact NE-OE1 3.72Å; R536-E688 IonicContact NH2-OE1 2.66Å; R536-E688 PolarHBondContact NH2-OE1 2.8Å; L684-E688 WeakPolarHBondContact O-CB 3.18Å; L684-E688 PolarHBondContact O-N 2.63Å; E688-Y690 VanDerWaalsContact C-N 3.32Å; E688-Y690 PolarHBondContact O-N 2.74Å; E688-K691 PolarHBondContact O-N 3.5Å; E688-S692 WeakPolarHBondContact O-CB 2.96Å; E688-S692 PolarHBondContact O-N 3.06Å; E688-S692 PolarHBondContact O-OG 2.69Å; E688-S692 VanDerWaalsContact O-OG 3.14Å
689K60.9Low56.5Low141 Ų141114 Ų11461%0.61359%0.59SS**Hα-helixtrans-56.3-43.5168.5-77.1172.6-177.7172.30112.4L685 N686 T693L685-K689 WeakPolarHBondContact O-CG 3.05Å; L685-K689 PolarHBondContact O-N 2.86Å; N686-K689 WeakPolarHBondContact O-CB 3.25Å; N686-K689 PolarHBondContact O-N 2.91Å; K689-T693 PolarHBondContact O-N 3.5Å; K689-T693 PolarHBondContact O-OG1 3.06Å
690Y50.4Low54.2Low173 Ų173114.4 Ų114.468%0.67860%0.6SS**Hα-helixtrans-71.4-37.8178.4-79.1-68.2000113.3N686 L687 E688 T693 S694N686-Y690 VanDerWaalsContact O-CD2 3.24Å; N686-Y690 WeakPolarHBondContact O-CD2 3.2Å; N686-Y690 PolarHBondContact O-N 3.05Å; L687-Y690 PolarHBondContact O-N 2.98Å; E688-Y690 VanDerWaalsContact C-N 3.32Å; E688-Y690 PolarHBondContact O-N 2.74Å; Y690-T693 WeakPolarHBondContact CA-OG1 3.48Å; Y690-T693 PolarHBondContact O-N 3.49Å; Y690-T693 PolarHBondContact O-OG1 2.75Å; Y690-S694 PolarHBondContact O-N 3.47Å
691K51.7Low52.1Low130 Ų130116.6 Ų116.657%0.56561%0.61SS**Hα-helixtrans-70.1-40.4176.7-117.9-177.7177.3-176.20112.8L687 E688 T693 S694 E695L687-K691 PolarHBondContact O-N 2.83Å; E688-K691 PolarHBondContact O-N 3.5Å; K691-T693 PolarHBondContact O-N 2.98Å; K691-S694 PolarHBondContact O-N 3.23Å; K691-S694 PolarHBondContact O-OG 2.74Å; K691-E695 PolarHBondContact O-N 3.03Å
692S46.1Very low50.1Low80 Ų80113.1 Ų113.156%0.55960%0.601SS**Hα-helixtrans-64-19.8173.5-65.90000113.3E688E688-S692 WeakPolarHBondContact O-CB 2.96Å; E688-S692 PolarHBondContact O-N 3.06Å; E688-S692 PolarHBondContact O-OG 2.69Å; E688-S692 VanDerWaalsContact O-OG 3.14Å
693T42.7Very low47.9Very low100 Ų100115 Ų11561%0.61361%0.611SS**Hα-helixtrans-88.3-14.9170.649.80000115K689 Y690 K691K689-T693 PolarHBondContact O-N 3.5Å; K689-T693 PolarHBondContact O-OG1 3.06Å; Y690-T693 WeakPolarHBondContact CA-OG1 3.48Å; Y690-T693 PolarHBondContact O-N 3.49Å; Y690-T693 PolarHBondContact O-OG1 2.75Å; K691-T693 PolarHBondContact O-N 2.98Å
694S43Very low45.7Very low79 Ų79111.8 Ų111.855%0.55260%0.601SS**Hα-helixtrans-95-27.3-178.160.60000114.6Y690 K691Y690-S694 PolarHBondContact O-N 3.47Å; K691-S694 PolarHBondContact O-N 3.23Å; K691-S694 PolarHBondContact O-OG 2.74Å
695E38.6Very low43.8Very low152 Ų152115.3 Ų115.371%0.7162%0.615SS**SBendtrans-90.8-11.3-177.9-69.3175.2-168.600113.2K691 S697K691-E695 PolarHBondContact O-N 3.03Å; E695-S697 VanDerWaalsContact C-N 3.34Å; E695-S697 PolarHBondContact O-N 3.08Å; E695-S697 VanDerWaalsContact O-N 3.17Å
696L34Very low41.7Very low152 Ų152116.1 Ų116.180%0.79663%0.629SS**  trans-90.756.7-179.5-153.476.4000112.3
697S33.3Very low39.6Very low91 Ų91115.9 Ų115.964%0.63663%0.634SS**  trans-149.551.8-176.2-77.20000115E695E695-S697 VanDerWaalsContact C-N 3.34Å; E695-S697 PolarHBondContact O-N 3.08Å; E695-S697 VanDerWaalsContact O-N 3.17Å
698Q32.4Very low38.1Very low196 Ų196117.2 Ų117.292%0.91664%0.64SS**SBendtrans-164.7157.4154.4-113.2149.586.300113.1
699S31.3Very low37Very low122 Ų122119.5 Ų119.585%0.85366%0.655SS**  trans6068.5173.7-162.40000117.3
700S30.1Very low36Very low82 Ų82121.5 Ų121.557%0.57367%0.669SS**  trans-64.8-178.5160.340.70000114
701H34.8Very low35.3Very low150 Ų150120.5 Ų120.569%0.69468%0.675SS**  trans84130.2167.9-42.9-68.9000116.6
702T32.9Very low34.1Very low70 Ų70118.4 Ų118.443%0.42968%0.677SS.*  cis-152.2160.2-7.52.10000111.5H549 S550H549-T702 CarbonylContact O-C 3.57Å; H549-T702 VanDerWaalsContact O-CB 3.29Å; H549-T702 WeakPolarHBondContact O-CB 3.19Å; H549-T702 PolarHBondContact O-N 2.89Å; H549-T702 PolarHBondContact O-OG1 2.87Å; S550-T702 PolarHBondContact O-OG1 3.04Å; S550-T702 VanDerWaalsContact O-OG1 3.07Å
703S29.5Very low33.4Very low90 Ų90122.6 Ų122.663%0.62969%0.688SS**  trans-43.7146.2149.252.60000114.8
704N31.5Very low32.7Very low83 Ų83125.3 Ų125.344%0.44470%0.697SS.*  trans-180143139.6-95.4-3.8000110.1H549H549-N704 HydrophobicContact CB-CB 4Å
705Q30.1Very low31.9Very low149 Ų149125.9 Ų125.970%0.69670%0.701SS**  cis-165.9146-10.5-156.71453200111.5
706S28.1Very low31.3Very low112 Ų112124 Ų12478%0.78370%0.7SS**  trans62.1179.1155.369.10000115.4
707S29.1Very low31Very low82 Ų82123.9 Ų123.957%0.57370%0.7SS**  cis-159.1165.612.255.60000111.4
708I32.3Very low30.7Very low144 Ų144124.1 Ų124.174%0.73870%0.702SS**  trans70.8129.9143.2-77.1161.4000116
709D35Very low30.4Very low131 Ų131120 Ų12070%0.70169%0.694SS**  cis-146.8170-5.1-116.6-25.3000113.6
710M39Very low30.3Very low183 Ų183117.9 Ų117.990%0.90168%0.684SS**  trans-91.197.6166.6-73.6-114.1-61.500110.2
711D35.6Very low30.1Very low152 Ų152119.1 Ų119.181%0.81369%0.689SS**  trans-129147.2157.7-88.8-50.7000109.4
712S27.3Very low29.9Very low87 Ų87118.5 Ų118.561%0.60869%0.691SS**  cis162.6169.8-21.8-178.40000103.7
713E30.9Very low29.7Very low168 Ų168121.9 Ų121.979%0.78570%0.703SS**  trans62.598.9180-52.4-166.1168.600112.7
714I28Very low29.7Very low157 Ų157125.3 Ų125.381%0.80571%0.709SS**  cis57.4145.440.3-42.4176.2000111.7
715S25.9Very low29.8Very low90 Ų90127.7 Ų127.763%0.62972%0.721SS**  trans81.1104.2175.994.20000112.6
716T25.2Very low29.8Very low112 Ų112127 Ų12769%0.68772%0.721SS**  81.4145.577.660.80000113.7
717N28.3Very low30Very low151 Ų151129.1 Ų129.181%0.80772%0.717SS**  trans73.6139.4173.6-39.8-51.4000113.2
718S27.6Very low30.2Very low96 Ų96131.9 Ų131.967%0.67172%0.72SS**  cis-158.1159.5-13.245.80000107.4
719S26.1Very low30.3Very low108 Ų108132.1 Ų132.176%0.75572%0.718SS**  32.6128.486.2-7.10000113.1
720A28.3Very low30.2Very low78 Ų78132.5 Ų132.565%0.64572%0.72SS**  cis-161.3162.914.600000111.4
721T26.9Very low30Very low109 Ų109129.9 Ų129.967%0.66971%0.714SS**  trans32.1152.813065.20000121.8
722N29.7Very low29.7Very low137 Ų137127 Ų12773%0.73371%0.706SS**  trans76.9145.8164.2-46.1-33.8000113.5
723M29.7Very low29.8Very low140 Ų140127.7 Ų127.769%0.6971%0.71SS**  cis-139.6143.6-14.7-108.8156.8152.600104.9
724E28.6Very low30.1Very low162 Ų162129.2 Ų129.276%0.75771%0.714SS**  61.1160.373.2-149177-143.400113.2
725I34.2Very low30.3Very low134 Ų134125.6 Ų125.669%0.68770%0.703SS**  trans76.891.3-172.4-47.9175.1000111.3
726N29.4Very low30.9Very low133 Ų133127.4 Ų127.471%0.71171%0.712SS**  79.4162.256.2-166.317.1000112.6
727K32.6Very low31.3Very low158 Ų158126.9 Ų126.969%0.68771%0.706SS**  trans91.2109.2174.6-57-170.6179.6-174.40113
728H33.1Very low31.5Very low140 Ų140126 Ų12665%0.64870%0.701SS**  74.9152.382.6-74.3-145.5000110.1
729E34.8Very low31.9Very low149 Ų149126.9 Ų126.970%0.69671%0.707SS**  cis-142.5139.85.4-110.9129.5-150.400105.1
730D32.2Very low32.4Very low138 Ų138129.8 Ų129.874%0.73871%0.706SS**  69166.484.2-67.7-56.3000115.9
731V35.2Very low32.7Very low129 Ų129134.1 Ų134.178%0.78271%0.713SS**  trans68.595.2171-164.40000115.6
732S29.9Very low33.2Very low91 Ų91134.7 Ų134.764%0.63671%0.71SS**  cis90.414335.487.70000116.2
733C30Very low33.4Very low101 Ų101135 Ų13568%0.68271%0.709SS**  trans73.2154.6166.2-52.80000115.6
734F35.5Very low33.6Very low200 Ų200134.1 Ų134.188%0.87771%0.707SS**  cis-134.616017-83.9-89.9000114.3
735S33.6Very low33.8Very low82 Ų82136 Ų13657%0.57371%0.709SS**  trans-97.6163157.5-590000110.2
736P38.1Very low33.7Very low127 Ų127134.6 Ų134.683%0.82571%0.71SS**  -138.2150.4100.436.2-23.9000112.1
737N32.8Very low33.7Very low102 Ų102132.9 Ų132.955%0.54571%0.708SS.*  cis78.4125.814.9-115.475.2000117.2
738D32.8Very low33.6Very low133 Ų133132.8 Ų132.871%0.71171%0.714SS**  trans7096.1156.2-53-43.5000123.8
739S36.1Very low33.9Very low113 Ų113130.9 Ų130.979%0.7971%0.714SS**  -166.6110.5128.854.70000110.1
740K36.7Very low33.7Very low170 Ų170130.7 Ų130.774%0.73972%0.717SS**  86118.965-81.2177.4-179.8171.70114.1
741Q36Very low33.6Very low168 Ų168132.6 Ų132.679%0.78573%0.727SS**  trans70.5154.2146.5-62.9169.82.100115.3
742I37.3Very low33.4Very low122 Ų122129.1 Ų129.163%0.62672%0.717SS**  cis-157.5165.34.1-129.7162.9000109.4
743M33.7Very low33.5Very low142 Ų142134.5 Ų134.570%0.773%0.729SS**  trans21.5149.7156.7-57.9178.5-111.500122
744D32.7Very low33.7Very low122 Ų122138.4 Ų138.465%0.65274%0.737SS**  cis-173173-12-104.6-24.3000110.7
745Y33Very low33.5Very low201 Ų201133.7 Ų133.779%0.78873%0.729SS**  trans57.2112.2156.2-67.3-58.9000123.4
746C32.3Very low33.6Very low106 Ų106135.5 Ų135.572%0.71674%0.741SS**  65.694.4127.1-68.50000123.3
747S29.2Very low33.4Very low97 Ų97132.5 Ų132.568%0.67873%0.734SS**  57.9120.5102.1-580000123.1
748I31.5Very low33.4Very low156 Ų156138.9 Ų138.980%0.875%0.75SS**  72.2133.7123.3-65170.6000118.5
749P38.1Very low33.3Very low100 Ų100137.3 Ų137.365%0.64975%0.748SS**  cis-143.7-167.3-25.642-21.4000114.3
750N31.6Very low33.3Very low144 Ų144138.1 Ų138.177%0.7775%0.749SS**  trans37.8110.5149.2-60.9-2.9000121.2
751L30.2Very low33.1Very low179 Ų179136.2 Ų136.294%0.93775%0.747SS**  -169.6140.3115.5-130.471.5000114.6
752G30.6Very low33Very low56 Ų56134.7 Ų134.758%0.57774%0.744SS**  68.489.812300000124.1
753K32.5Very low32.9Very low203 Ų203135.8 Ų135.888%0.88375%0.751SS**  trans63.6179.8131.3-64.2-174.8176.2-176.60120
754H34.2Very low33Very low184 Ų184138.3 Ų138.385%0.85276%0.758SS**  trans78.5142.8179-52.4-77.4000116
755S30.3Very low33.2Very low101 Ų101139.9 Ų139.971%0.70676%0.762SS**  cis-168.9164.2-18.5-1680000111.1
756S35.2Very low32.8Very low119 Ų119136.2 Ų136.283%0.83277%0.765SS**  trans62.7147.6173.867.30000117
757G34.5Very low32.7Very low65 Ų65139.6 Ų139.667%0.6777%0.768SS**  cis178.1170.9-3.400000107.5
758W32.1Very low32.6Very low236 Ų236142.6 Ų142.689%0.89477%0.772SS**  cis-148.4129.111.7-71.971.8000107.6
759C32.5Very low32.5Very low99 Ų99144.7 Ų144.767%0.66978%0.775SS**  83.8141.783.7-61.70000117.5
760T35.5Very low32.1Very low130 Ų130144.2 Ų144.280%0.79877%0.774SS**  trans83.4131.9170.674.20000117.9
761N32.4Very low32Very low131 Ų131144.6 Ų144.670%0.70178%0.775SS**  cis-164174.7-8.8-124.742.2000113.5
762D34.5Very low32.1Very low136 Ų136142.8 Ų142.873%0.72776%0.762SS**  trans8278.8152.3-56.9-17.8000121.5
763D34.8Very low32Very low145 Ų145149.1 Ų149.178%0.77578%0.777SS**  trans-18.3144.7144.1-52.4-46.2000120.6
764K35.8Very low32Very low194 Ų194145.4 Ų145.484%0.84377%0.767SS**  -171.2106.9123-98.3147.2-171.1170.70109.7
765Q35.9Very low31.9Very low156 Ų156143.5 Ų143.573%0.72976%0.761SS**  59.396.989.5-71.6-167.4-7.300113.7
766S24.6Very low32.1Very low123 Ų123146 Ų14686%0.8677%0.766SS**  trans-60.7129.2155.448.80000109.8
767F29.8Very low32.1Very low178 Ų178148 Ų14878%0.78177%0.765SS**  trans-119.9127.6169.2-122.6-85.2000110.6
768E28.6Very low32.1Very low160 Ų160155.3 Ų155.375%0.74877%0.773SS**  trans-56.7137.6171.3173.5179.7-129.900111.6
769F29.8Very low32Very low199 Ų199147 Ų14787%0.87376%0.761SS**  trans-151.9110.4159.2-119.3-77.1000110.9
770S28.6Very low32Very low90 Ų90147.6 Ų147.663%0.62977%0.766SS**  trans-69.8151167.7-46.10000110.7
771L30.2Very low31.7Very low152 Ų152146.5 Ų146.580%0.79676%0.764SS**  179.6138.6119-97.8163.3000113.5
772Q31.5Very low31.6Very low141 Ų141148.2 Ų148.266%0.65977%0.771SS**  trans51.581.6147.2-139.26537.500119.5N774Q772-N774 HydrophobicContact CG-CB 4.42Å
773E28Very low31.5Very low190 Ų190147 Ų14789%0.88877%0.771SS**  trans-66.8128.6149.9-175.7166.2-139.800109.5
774N32.8Very low31.1Very low125 Ų125144.9 Ų144.967%0.66877%0.768SS**  trans-155.282.5179-130.4-2.9000111.9Q772Q772-N774 HydrophobicContact CG-CB 4.42Å
775I32.7Very low30.7Very low144 Ų144141.9 Ų141.974%0.73877%0.766SS**  trans27.7110146.2-49.6171.2000116.9
776N34.2Very low30.5Very low152 Ų152141 Ų14181%0.81377%0.771SS**  -168.5152.2124.8-109.9-34000115.8
777M34.8Very low30.8Very low162 Ų162140.8 Ų140.880%0.79877%0.765SS**  trans67101.5160.8-66.2-96.357.900120.3
778Y34.7Very low31.1Very low218 Ų218137.6 Ų137.686%0.85576%0.762SS**  trans-49.4163143.8-76.1-112.3000111.8
779G30.4Very low31.2Very low62 Ų62136.2 Ų136.264%0.63976%0.764SS**  cis120.6122.5800000111.1
780S31.7Very low31.1Very low111 Ų111133.2 Ų133.278%0.77676%0.756SS**  trans66.9129.5-166.2-139.20000113.7
781S29Very low31.4Very low107 Ų107135.5 Ų135.575%0.74877%0.766SS**  cis74.2105.833.2-53.80000114.9
782I30.9Very low31.3Very low167 Ų167134.9 Ų134.986%0.85676%0.763SS**  trans-161143.4151-101.3151.8000108
783P32.5Very low31.4Very low111 Ų111138.3 Ų138.372%0.72178%0.776SS**  trans-104171.2-175.339.1-35.3000114.9
784S27.5Very low31.5Very low101 Ų101134.6 Ų134.671%0.70677%0.771SS**  trans110.9111.3149.9-50.10000119.3
785T27.2Very low31.5Very low130 Ų130135.5 Ų135.580%0.79878%0.781SS**  60.4102.4126.2-44.70000120.9
786T31Very low31.4Very low138 Ų138137 Ų13785%0.84779%0.785SS**  trans-139.8145.9144.3-30.90000111.8
787T31.7Very low31.4Very low119 Ų119135.4 Ų135.473%0.7378%0.783SS**  trans-83.1-167.616951.60000109.8
788P36.3Very low31.3Very low110 Ų110133.7 Ų133.771%0.71478%0.784SS**  cis-140.7-157.91.628.4-0.8000115.2
789V30.5Very low31.1Very low132 Ų132130.4 Ų130.480%0.877%0.774SS**  trans94.3135.9155.7-167.60000118.4
790I27.6Very low31Very low135 Ų135132.8 Ų132.869%0.69278%0.781SS**  trans-109.1136.8-177.6-62.1161000109.1
791V33.4Very low30.9Very low139 Ų139134.8 Ų134.884%0.84278%0.778SS**  trans-133.2109.8152.6-177.30000109.3
792N29Very low31Very low138 Ų138138.9 Ų138.974%0.73878%0.778SS**  trans-76.6138.3172.4-77-37.5000110.9
793K34.1Very low30.9Very low213 Ų213136.8 Ų136.893%0.92677%0.769SS**  trans-151.7124.3146.1-115.4161.9-172.4173.80111.3
794S29.1Very low30.8Very low113 Ų113140.7 Ų140.779%0.7977%0.77SS**  trans-99.3137.8-176.3175.90000111
795V32.7Very low31.1Very low144 Ų144142.5 Ų142.587%0.87377%0.772SS**  trans-139.1146.7159.5-175.70000108.1
796Q31.2Very low31.4Very low174 Ų174140.1 Ų140.181%0.81377%0.765SS**PPolyproline II helixtrans-79.9156.3-164-64.3174.4-28.300115.3
797P33.2Very low31.6Very low119 Ų119142 Ų14277%0.77376%0.764SS**PPolyproline II helixtrans-92.5139.3166.635.5-31.9000113.2
798P34.5Very low31.7Very low126 Ų126142 Ų14282%0.81876%0.76SS**PPolyproline II helixtrans-90.9171.1157.734.3-29.8000112
799K29Very low31.6Very low150 Ų150144.6 Ų144.665%0.65276%0.76SS**  trans-112.4154.6-164.8-61.6163.5179.8168.30112.9
800S28.7Very low31.8Very low111 Ų111143.3 Ų143.378%0.77676%0.757SS**  trans63.4161.6162.457.60000115.5
801Q30Very low32.1Very low153 Ų153145.1 Ų145.172%0.71577%0.767SS**  cis-162.9128.926.3-166.6169.3-4500112.7
802Y29.9Very low32Very low193 Ų193142.6 Ų142.676%0.75776%0.756SS**  trans67.6141.4151.5-75.1-137.7000122.5
803D30.3Very low32.1Very low123 Ų123142.3 Ų142.366%0.65875%0.754SS**  trans69.9121.1134.1-68.2-4.3000127.2
804Y30.4Very low32Very low194 Ų194139.4 Ų139.476%0.76174%0.744SS**  trans71.4124.9137.3-80.6-98.9000125.6
805D33Very low32.1Very low138 Ų138140.1 Ų140.174%0.73874%0.737SS**  trans49.195.7135.7-67.64.7000124.6
806A34.4Very low32.2Very low80 Ų80140.1 Ų140.166%0.66173%0.731SS**  72.1145.4105.400000124.9
807H34.4Very low32.4Very low178 Ų178137 Ų13782%0.82472%0.719SS**  trans74.5151.8161.4-66.2-72.8000119.8
808D34.7Very low32.4Very low119 Ų119140.5 Ų140.564%0.63672%0.716SS**  cis179.6167.6-22-173.415.3000109
809K33.4Very low32.6Very low165 Ų165140.8 Ų140.872%0.71771%0.711SS**  trans79.296.8158.1-49.2-161.5179.4-179.20123.4
810S35.1Very low32.9Very low105 Ų105140.4 Ų140.473%0.73472%0.716SS**  25.1138.8114.665.30000123.1
811L33.1Very low33.4Very low173 Ų173141.6 Ų141.691%0.90671%0.713SS**  -160-179.2126.7-110.5165000112.1
812S32.4Very low33.8Very low86 Ų86139.8 Ų139.860%0.60171%0.712SS**  trans-126.3-165-153.457.50000115.9
813N30Very low34.2Very low131 Ų131137.7 Ų137.770%0.70171%0.709SS**  trans87.6141.2170.4-63.245.4000114.9
814E32.4Very low34.5Very low152 Ų152137.7 Ų137.771%0.7171%0.709SS**  cis-167.5-167.7-5-142.4174.8116.300111.3
815I32.3Very low34.8Very low128 Ų128134.3 Ų134.366%0.65671%0.708SS**  trans91.5122136.9-92.3163.2000122
816I34.5Very low34.7Very low145 Ų145131.6 Ų131.674%0.74470%0.7SS**  trans75.8146.3145-76.5-178.3000120.9
817I34.4Very low34.9Very low109 Ų109136.8 Ų136.856%0.55971%0.708SS**  cis-174.4162.9-27.5-147.5176.5000113.7
818R34.1Very low34.8Very low191 Ų191134.6 Ų134.672%0.72171%0.707SS**  trans71.2155.4154-69.6-166.1166.996.510.6121.8
819D38.2Very low35Very low133 Ų133133.7 Ų133.771%0.71171%0.707SS**  cis-173160.9-18.8-95-6.7000106.7
820D36.4Very low35Very low142 Ų142132.4 Ų132.476%0.75971%0.708SS**  cis-134.9-99.5-12.6177.133.8000109.9
821I37.4Very low35.2Very low136 Ų136136 Ų13670%0.69771%0.713SS**  cis-162.2150.6-13.4-153.8161.8000112.1
822V38.8Very low35.2Very low114 Ų114134.7 Ų134.769%0.69171%0.707SS**  trans23.9134.8151.11700000120.4
823Q39.1Very low35.3Very low150 Ų150135.4 Ų135.470%0.70171%0.712SS**  cis-162.9157.2-6.8-110.3-166-99.800109.3
824D36Very low35.5Very low122 Ų122133.8 Ų133.865%0.65271%0.71SS**  60.4132.990.8-136.89.9000115.1
825V35.9Very low35.7Very low123 Ų123133.6 Ų133.675%0.74571%0.707SS**  -148.1154.153169.20000114.2
826S32.9Very low35.9Very low82 Ų82133.5 Ų133.557%0.57370%0.704SS**  trans-98.2160.8-176.456.10000116.7
827K37.4Very low35.9Very low189 Ų189132 Ų13282%0.82270%0.701SS**  177.9167.3127.2-93.8148.4-162.6162.20116.4
828T33Very low35.8Very low131 Ų131133 Ų13380%0.80471%0.713SS**  trans-135.9-166.2-166.451.60000110.2
829P39.4Very low35.8Very low100 Ų100129.2 Ų129.265%0.64972%0.715SS**  -131.1-171.3-53.436.1-17.8000114.1
830N32.4Very low35.6Very low138 Ų138128 Ų12874%0.73872%0.716SS**  trans55.8132.3151.6-64.4-1000122.6
831H38.2Very low35.3Very low181 Ų181128.5 Ų128.584%0.83872%0.717SS**  -178.2166.1114.6-101.5-58.2000115
832D33.3Very low35.2Very low145 Ų145130.5 Ų130.578%0.77572%0.723SS**  trans-104.3160.2-163.8-32.9-108.9000115.4
833S35.8Very low34.7Very low102 Ų102131.8 Ų131.871%0.71373%0.727SS**  trans146.8111.6152.2-179.70000110.8
834C34.7Very low34.3Very low97 Ų97131.4 Ų131.466%0.65573%0.729SS**  83.8141.956.6-64.40000116
835F35Very low34Very low147 Ų147134 Ų13465%0.64574%0.742SS**  trans80.4140.1168.7-64-75.3000118.4
836E37.9Very low33.8Very low127 Ų127135.4 Ų135.459%0.59374%0.738SS**  cis-166.1162.1-10.7-152.2170.8-167.100114.4
837T33.3Very low33.6Very low112 Ų112138.6 Ų138.669%0.68774%0.738SS**  trans95136.8149.1-39.50000122
838V32.6Very low33.2Very low132 Ų132137.3 Ų137.380%0.874%0.74SS**  trans-113148.2-171.9173.30000112.5
839S34Very low32.9Very low110 Ų110138.5 Ų138.577%0.76974%0.741SS**  trans160.4144.2149.1-790000111.4
840C34Very low32.6Very low107 Ų107142 Ų14272%0.72375%0.749SS**  cis-147.8133.61.5-103.80000111.8
841I31.1Very low32.4Very low153 Ų153140.4 Ų140.479%0.78575%0.749SS**  trans13.3112.6131.4-48.4169.3000117.1
842Q33.6Very low32Very low178 Ų178141.1 Ų141.183%0.83275%0.745SS**  -166.2130118.8-110.2176.65.400113.9
843N28.3Very low31.9Very low142 Ų142143.9 Ų143.976%0.75975%0.751SS**  trans10.1116.1156.2-53.4-15.6000119.3
844L31.5Very low31.7Very low142 Ų142145.3 Ų145.374%0.74375%0.746SS**  -165116.2126.6-109.4166.3000110K846L844-K846 VanDerWaalsContact C-N 3.29Å; L844-K846 HydrophobicContact CB-CG 4.46Å; L844-K846 PolarHBondContact O-N 3.49Å
845N30.3Very low31.8Very low175 Ų175146.3 Ų146.394%0.93675%0.751SS**  trans-71.790.4162.7-76.1-5000107.3
846K31.7Very low31.5Very low153 Ų153145.6 Ų145.667%0.66575%0.749SS**  trans-87.5147.9176.6-100.3-173.2164.2-158.80111L844L844-K846 VanDerWaalsContact C-N 3.29Å; L844-K846 HydrophobicContact CB-CG 4.46Å; L844-K846 PolarHBondContact O-N 3.49Å
847R28.2Very low31.1Very low150 Ų150146.3 Ų146.357%0.56675%0.753SS**  trans-68.2151-178.5-61.7177.4177.389.315.1110.6E118 N122 N849E118-R847 IonicContact OE1-CZ 2.67Å; E118-R847 IonicContact OE1-NE 2.72Å; E118-R847 IonicContact OE1-NH2 2.79Å; E118-R847 PolarHBondContact OE1-NH2 3.21Å; N122-R847 VanDerWaalsContact CG-NH2 3.25Å; N122-R847 VanDerWaalsContact ND2-CZ 3.33Å; N122-R847 PolarHBondContact ND2-NH1 3.49Å; N122-R847 PolarHBondContact ND2-NH2 3.45Å; N122-R847 PolarHBondContact OD1-NH1 3.15Å; N122-R847 VanDerWaalsContact OD1-NH1 3.11Å; N122-R847 PolarHBondContact OD1-NH2 3.14Å; R847-N849 PolarHBondContact O-N 3.45Å
848N29.2Very low31Very low161 Ų161146.9 Ų146.986%0.86175%0.751SS**SBendtrans-65.1105164.4-66.7-2.6000108.2
849N26.9Very low30.9Very low156 Ų156147.1 Ų147.183%0.83475%0.748SS**  trans-17885.5161.8-103.14.4000109.1R847R847-N849 PolarHBondContact O-N 3.45Å
850E31.9Very low30.7Very low174 Ų174146.3 Ų146.381%0.81374%0.738SS**  trans-177.3149.8168.8-102.8171.9-12600106.9
851S28.8Very low30.7Very low105 Ų105148.7 Ų148.773%0.73474%0.742SS**  cis-168166.1-28.9-1680000109.6
852Y29.2Very low30.6Very low195 Ų195149.8 Ų149.877%0.76574%0.744SS**  trans-46.2148.2171.7-78.7-110.5000114.8
853K32.1Very low30.5Very low203 Ų203148.2 Ų148.288%0.88374%0.74SS**  trans-159.1126.9134.9-111.9148.4-169.7169.20116
854H32Very low30.3Very low132 Ų132146.4 Ų146.461%0.61174%0.738SS**  trans-45157.9167.4-59.4-78.9000114.8
855P35.6Very low30Very low118 Ų118146.3 Ų146.377%0.76674%0.739SS**  -89.3148.767.5-23.438.8000114.9
856H30.1Very low29.8Very low132 Ų132144.8 Ų144.861%0.61173%0.726SS**  cis64.9128.148.8-63.5-89.7000111.1
857E29.3Very low29.5Very low143 Ų143145.7 Ų145.767%0.66873%0.73SS**  cis-168.4175.48.4-134.1168-144.400114.5
858L30.7Very low29.5Very low123 Ų123143.5 Ų143.564%0.64474%0.737SS**  trans67.2107.5153-65.2161.4000120
859N31Very low29.4Very low138 Ų138144.8 Ų144.874%0.73874%0.738SS**  74.5144.7125.5-61.83.3000120.3
860T29.4Very low29.4Very low92 Ų92144.4 Ų144.456%0.56473%0.729SS**  cis-159.3137.6-16.3-93.50000107.2Q862T860-Q862 HydrophobicContact CG2-CB 4.22Å; T860-Q862 HydrophobicContact CG2-CG 3.87Å; T860-Q862 PolarHBondContact O-N 3.04Å; T860-Q862 VanDerWaalsContact O-N 3.13Å
861I33.2Very low29.4Very low158 Ų158143.9 Ų143.981%0.8173%0.731SS**  trans-71.7105164.3-62.8174000107.3I863I861-I863 HydrophobicContact CG2-CG1 4.29Å
862Q29Very low29.2Very low176 Ų176145.9 Ų145.982%0.82273%0.729SS**  trans-114.2101.9164.9-104.1177.2-4.300110T860T860-Q862 HydrophobicContact CG2-CB 4.22Å; T860-Q862 HydrophobicContact CG2-CG 3.87Å; T860-Q862 PolarHBondContact O-N 3.04Å; T860-Q862 VanDerWaalsContact O-N 3.13Å
863I31.5Very low29.1Very low145 Ų145142.7 Ų142.774%0.74472%0.723SS**  trans-57162.7160.9-62.6152.7000109I861I861-I863 HydrophobicContact CG2-CG1 4.29Å
864S24.7Very low29.3Very low104 Ų104141.2 Ų141.273%0.72772%0.717SS**  trans78147.9171.296.30000113.4
865N25.3Very low29.1Very low140 Ų140141 Ų14175%0.74972%0.719SS**  cis-158.4-165.5-8-157-14.3000108.3
866E26.4Very low29.2Very low142 Ų142141.6 Ų141.666%0.66472%0.723SS**  trans68.999148.8-71.9-175147.100118.3
867K25.8Very low28.9Very low173 Ų173143.1 Ų143.175%0.75273%0.728SS**  43.9114.6108.7-64171.9-175.5164.60116.4
868S27.9Very low28.9Very low103 Ų103144 Ų14472%0.7273%0.732SS**  57.1102.3126.1-50.60000117.6
869Q26.6Very low29.2Very low189 Ų189145.2 Ų145.288%0.88374%0.739SS**  -159.1135.2119.8-110.3149.310600116.1
870K27.3Very low29.3Very low147 Ų147143.7 Ų143.764%0.63974%0.739SS**  67.781128.7-161.8168.4-178.2-114.80118.4E872K870-E872 WeakPolarHBondContact CE-OE1 3.43Å; K870-E872 IonicContact NZ-OE1 3.21Å; K870-E872 PolarHBondContact NZ-OE1 3.1Å
871L30.9Very low29.9Very low163 Ų163145 Ų14585%0.85375%0.749SS**  16.6121.4108.5-69.4161.9000116.2
872E25.4Very low29.9Very low148 Ų148142 Ų14269%0.69274%0.742SS**  trans-150.6146.1141.9-127.5162.1-115.500113.1K870K870-E872 WeakPolarHBondContact CE-OE1 3.43Å; K870-E872 IonicContact NZ-OE1 3.21Å; K870-E872 PolarHBondContact NZ-OE1 3.1Å
873I27.6Very low30.1Very low127 Ų127140.4 Ų140.465%0.65174%0.739SS**SBendtrans87.686.4164.8-54.4176.2000118.5
874K34.7Very low30.5Very low172 Ų172139.1 Ų139.175%0.74874%0.74SS**  trans66.196.6133-58.4167.8-157.6165.40117.7
875I29Very low30.8Very low127 Ų127139.1 Ų139.165%0.65174%0.737SS**  59.9113.660.7-46.7169.2000112.2F877I875-F877 HydrophobicContact CB-CD2 4.5Å; I875-F877 HydrophobicContact CG2-CB 4.1Å; I875-F877 HydrophobicContact CG2-CD2 3.47Å; I875-F877 VanDerWaalsContact CG2-CD2 3.47Å; I875-F877 HydrophobicContact CG2-CE2 4.11Å; I875-F877 HydrophobicContact CG2-CG 3.89Å; I875-F877 VanDerWaalsContact CG2-N 3.26Å
876P36.7Very low30.9Very low131 Ų131139.2 Ų139.285%0.85174%0.737SS**  -110.9119.7110.2-6.424.9000109.6
877F25.3Very low30.9Very low164 Ų164138.4 Ų138.472%0.71974%0.741SS**  79.2124.358.7-100.4-66.5000114.4I875I875-F877 HydrophobicContact CB-CD2 4.5Å; I875-F877 HydrophobicContact CG2-CB 4.1Å; I875-F877 HydrophobicContact CG2-CD2 3.47Å; I875-F877 VanDerWaalsContact CG2-CD2 3.47Å; I875-F877 HydrophobicContact CG2-CE2 4.11Å; I875-F877 HydrophobicContact CG2-CG 3.89Å; I875-F877 VanDerWaalsContact CG2-N 3.26Å
878E29.4Very low31Very low161 Ų161137 Ų13775%0.75274%0.741SS**  trans73137163.5-57.4-164166.400116.9
879L35.3Very low31Very low149 Ų149136.2 Ų136.278%0.7874%0.735SS**  cis-154.2156.9-0.9-115.3163.1000111.4
880S33.9Very low31.1Very low106 Ų106131.2 Ų131.274%0.74172%0.721SS**  trans-82.5174.3-179.1-43.80000113.6
881P42.5Very low31.1Very low121 Ų121132.3 Ų132.379%0.78673%0.729SS**  -149.6144.191.737.7-19.9000118.7
882S32.4Very low31Very low93 Ų93129 Ų12965%0.6572%0.719SS**  trans56.6116.2142.9-70.10000125.8
883D32.9Very low31.2Very low144 Ų144127.2 Ų127.277%0.7772%0.719SS**  49.2157100.6-40.7-46.4000121.2
884P39.9Very low31.4Very low118 Ų118128.8 Ų128.877%0.76672%0.723SS**  cis-132.3-150.30.740.6-20.6000112
885P32Very low31.4Very low103 Ų103127.5 Ų127.567%0.66972%0.723SS**  -111.7153.1-5435.6-22000112
886I26.3Very low31.6Very low142 Ų142126.1 Ų126.173%0.72872%0.721SS**  27.7106.798.7-51.5176.5000116.7I888I886-I888 HydrophobicContact CG2-CD1 4.4Å
887T26.3Very low31.4Very low125 Ų125126.6 Ų126.677%0.76772%0.716SS**  trans-176.9123.9131.417.90000106.2
888I29Very low32Very low143 Ų143125.6 Ų125.673%0.73372%0.717SS**  cis5666.627.5-38.1-177.8000113.3I886I886-I888 HydrophobicContact CG2-CD1 4.4Å
889S27Very low32.2Very low87 Ų87123 Ų12361%0.60871%0.714SS**  -145.1121.7129.6-1510000106
890S28.4Very low32.1Very low85 Ų85120.9 Ų120.959%0.59471%0.709SS**  cis64.4144.935.4104.60000112.4
891Q28.4Very low31.8Very low169 Ų169124.1 Ų124.179%0.7971%0.714SS**  trans69.8137.2-163.7-53.4164.574.300112.4
892S28Very low30.9Very low93 Ų93124.2 Ų124.265%0.6571%0.708SS**  cis-143124.6-0.9-112.50000109.1
893T29.5Very low30.6Very low112 Ų112125.8 Ų125.869%0.68771%0.71SS**  60.2142.184.368.80000114.7
894H33Very low30.1Very low160 Ų160125.3 Ų125.374%0.74171%0.707SS**  trans66.1126.1178.8-83.7-107.4000114
895L34.1Very low29.4Very low144 Ų144127.2 Ų127.275%0.75471%0.71SS**  cis-127.3140.52.3-78.9105.9000109.1
896V32.9Very low29Very low98 Ų98127 Ų12759%0.59471%0.711SS**  77.9129.956.1168.80000111.8
897D32.7Very low29Very low141 Ų141126 Ų12675%0.75471%0.711SS**  trans70.1140.6173.4-63-19.2000117.4
898I37.9Very low29Very low144 Ų144126.6 Ų126.674%0.73871%0.709SS**  cis-150.7156.60.4-119.3160.3000111
899P34.4Very low29Very low105 Ų105127.3 Ų127.368%0.68271%0.709SS**  trans-92.6-157.5-179.342.5-37.4000110.9
900P33.4Very low29.3Very low105 Ų105127.7 Ų127.768%0.68271%0.712SS**  cis-122.5-180-735.8-13000112.3
901M26.2Very low29.3Very low174 Ų174130 Ų13086%0.85773%0.725SS**  cis62130.448.7-149.2-164.8-166.300115.1
902N24.8Very low29.2Very low123 Ų123126.8 Ų126.866%0.65872%0.722SS**  trans63.8158.4174.3111.3107.8000115.4
903N24.5Very low29.1Very low127 Ų127127 Ų12768%0.67972%0.723SS**  cis-172.6179.2-23.1-96.1-5.7000104.3
904N23.6Very low28.8Very low134 Ų134126.1 Ų126.172%0.71772%0.721SS**  trans73.4134.4164.7-49.7-48.9000113.6
905L24.3Very low28.3Very low157 Ų157123.8 Ų123.882%0.82272%0.723SS**  68.6117.459.2-172.682.7000112.7
906S24.6Very low28Very low98 Ų98121.6 Ų121.669%0.68572%0.72SS**  trans85.3120.3-177.7-36.40000114.4
907T25.6Very low27.7Very low121 Ų121121.5 Ų121.574%0.74272%0.724SS**  66.5129.970.2-27.20000114.3
908L27.5Very low27.6Very low139 Ų139119.7 Ų119.773%0.72872%0.722SS**  trans72.7145.6168.1-48176.8000115.5
909Q28.7Very low27.2Very low157 Ų157118.4 Ų118.473%0.73472%0.721SS**  cis-166.6146.2-19.2-125.1173.2-6.300110.5
910S32.1Very low27.1Very low95 Ų95120.3 Ų120.366%0.66473%0.725SS**  trans70.1153.2151.8-44.90000117.5
911P29.4Very low27.3Very low133 Ų133119.7 Ų119.786%0.86472%0.723SS**  -94.4132.199.3-26.937000114.1
912S27Very low27.9Very low103 Ų103116.9 Ų116.972%0.7272%0.718SS**  trans-61141.6141.853.40000106.6
913S24.7Very low28.1Very low96 Ų96119.3 Ų119.367%0.67173%0.725SS**  -174.7170.356.152.20000111.6
914S23.1Very low28.3Very low94 Ų94118 Ų11866%0.65773%0.725SS**  trans52.2116.6147.757.20000119.8
915S23.7Very low28.4Very low111 Ų111116.9 Ų116.978%0.77672%0.724SS**  trans75.4136.5138.859.80000119.3
916S26.4Very low28.7Very low99 Ų99115.9 Ų115.969%0.69272%0.718SS**  cis-168.1159.5-10.843.10000110.9
917S27.2Very low28.9Very low96 Ų96117.7 Ų117.767%0.67172%0.72SS**  trans38.5111.814562.90000116.6
918S29.6Very low29.1Very low103 Ų103117.2 Ų117.272%0.7272%0.722SS**  139.1154.876.954.20000107.5
919T29.9Very low29.7Very low116 Ų116113.9 Ų113.971%0.71271%0.708SS**  cis-161.5166.7-0.94.60000110.6
920L33.5Very low29.7Very low146 Ų146110.9 Ų110.976%0.76471%0.705SS**  trans66.398.4145.7-71.3162.7000118.9
921S37.6Very low29.7Very low92 Ų92111.4 Ų111.464%0.64371%0.708SS**  7140.6105.4-370000117.2
922P38.3Very low29.7Very low115 Ų115111.9 Ų111.975%0.74771%0.708SS**  -131.3153.669.732.1-14.5000112.6
923Q29Very low29.9Very low174 Ų174110.8 Ų110.881%0.81371%0.713SS**  51.1136.267.2-61.1177.6-22.300112.8
924S27.7Very low30.2Very low98 Ų98110.8 Ų110.869%0.68571%0.713SS**  cis-164.1-154.8-2142.80000106.1
925T27Very low30.5Very low111 Ų111114.1 Ų114.168%0.68172%0.719SS**  cis-173.3175.917.5-17.90000109.9
926I30.3Very low30.7Very low137 Ų137116.3 Ų116.370%0.70372%0.717SS**  trans82.293.5149.1-67.2154.9000120
927N28.7Very low30.8Very low135 Ų135116.9 Ų116.972%0.72272%0.716SS**  54.7109117.5-43.3-18.1000123.4
928S30.5Very low30.9Very low112 Ų112120.2 Ų120.278%0.78372%0.723SS**  28.7166.794.6-44.50000121.7
929P38.8Very low31.7Very low69 Ų69120.2 Ų120.245%0.44872%0.72SS.*  cis-144.3-170.8-46.841.6-24.1000114.3S1389P929-S1389 WeakPolarHBondContact CB-O 3.19Å
930S29.8Very low32.1Very low94 Ų94119.9 Ų119.966%0.65772%0.72SS**  trans67.8168149.880.10000119.3
931S30.8Very low32.1Very low106 Ų106120 Ų12074%0.74172%0.721SS**  cis-170.5167-32.4-179.10000110
932V30.3Very low31.8Very low142 Ų142120.5 Ų120.586%0.86172%0.724SS**  trans65.3116.6169.9-162.20000117.9
933G32Very low31.5Very low80 Ų80120.2 Ų120.283%0.82573%0.725SS**  trans-162.1120.8164.800000110
934S29.6Very low31.6Very low97 Ų97116.4 Ų116.468%0.67872%0.717SS**  trans-107.4167.5-174.763.20000111.9
935Q30.3Very low31.9Very low164 Ų164118.9 Ų118.977%0.76672%0.723SS**  trans72.6145.1171.1-66.1-180103.100115.3
936Q27.9Very low32.1Very low157 Ų157121.5 Ų121.573%0.73473%0.725SS**  cis-165.3175.2-18.6-152.7171.832.400108.8
937T27Very low32.1Very low110 Ų110121.1 Ų121.168%0.67573%0.731SS**  trans73.791.3150.4-49.90000119.9
938M30.4Very low32.2Very low167 Ų167122.7 Ų122.782%0.82374%0.735SS**  59.4135.7129.4-59.7-58.3-70.400123.5
939P47Very low32Very low103 Ų103122.3 Ų122.367%0.66973%0.732SS**  trans-94.1178.2164.741.1-36.1000112.9
940P37.9Very low31.5Very low109 Ų109125.7 Ų125.771%0.70875%0.745SS**  -125.6146.1125.2-1.724.1000113.2
941L32.2Very low31.5Very low148 Ų148128.6 Ų128.678%0.77575%0.748SS**  65.7141.296.2-57.1175.5000114.6
942S32.6Very low31.6Very low103 Ų103128.9 Ų128.972%0.7275%0.75SS**  cis-147.4-152.61.2-155.50000108.4
943S31.5Very low31.6Very low109 Ų109126.2 Ų126.276%0.76274%0.737SS**  cis-163.1-173.43.6-134.50000113.4
944S31.1Very low31.7Very low93 Ų93127.9 Ų127.965%0.6573%0.731SS**  trans-64.8168.1167.6-139.20000112.9
945D33.8Very low31.7Very low150 Ų150129.4 Ų129.480%0.80274%0.737SS**  cis-161.217547.7-112-34.7000117.6
946K32.1Very low32Very low167 Ų167125.4 Ų125.473%0.72673%0.727SS**  trans-72.3165.5173.7-63.2178.5175.4178.40113.3
947P30.8Very low32.8Very low128 Ų128124 Ų12483%0.83173%0.725SS**  -139.8178101.139.1-27.8000115.4
948Q28.9Very low34.1Very low169 Ų169122.9 Ų122.979%0.7972%0.718SS**  trans-119130.3173.3-66.7166.5-114.600110.8
949S26.7Very low34.9Very low104 Ų104120.6 Ų120.673%0.72771%0.708SS**  trans-162.7147.5156.266.70000107.4
950L28.7Very low35.6Very low140 Ų140122.4 Ų122.473%0.73371%0.706SS**  56.8128.755.2-77.977.3000110.9
951E30.3Very low36.8Very low154 Ų154120 Ų12072%0.7270%0.695SS**  cis-145.7167.56-103.2156.7167.900108.3
952S33Very low38.2Very low112 Ų112118.8 Ų118.878%0.78369%0.685SS**  -166.6141.564.942.30000110.2
953C29.6Very low39.6Very low86 Ų86118.7 Ų118.758%0.58168%0.676SS**  73.1101.457.2-63.70000112.8
954T34.3Very low41.3Very low115 Ų115120.3 Ų120.371%0.70667%0.669SS**  76.498.951.673.30000114.9
955T29.8Very low43.1Very low130 Ų130118.2 Ų118.280%0.79866%0.658SS**SBendtrans-137.980.9-179.443.80000112.7
956S36.1Very low44.3Very low79 Ų79116 Ų11655%0.55265%0.645SS**SBendtrans-168-45.7160-91.10000113T958 L959 K960S956-T958 PolarHBondContact O-N 2.68Å; S956-L959 PolarHBondContact O-N 3.04Å; S956-K960 PolarHBondContact O-N 2.8Å
957D45.2Very low45.5Very low128 Ų128113.3 Ų113.368%0.68464%0.638SS**Hα-helixtrans-72.5-29.3-172.6-68.9-53.8000113.7K960 A961D957-K960 PolarHBondContact O-N 3.43Å; D957-A961 WeakPolarHBondContact O-CB 3.26Å; D957-A961 PolarHBondContact O-N 2.88Å
958T54.8Low46.8Very low87 Ų87111.3 Ų111.353%0.53462%0.623SS.*Hα-helixtrans-61.2-48170.540.60000111.7S956 K960 A961 E962S956-T958 PolarHBondContact O-N 2.68Å; T958-K960 VanDerWaalsContact C-N 3.27Å; T958-K960 PolarHBondContact O-N 3.42Å; T958-A961 PolarHBondContact O-N 2.83Å; T958-A961 VanDerWaalsContact O-N 3.14Å; T958-E962 WeakPolarHBondContact O-CB 3.22Å; T958-E962 PolarHBondContact O-N 3.33Å
959L47.4Very low47.7Very low118 Ų118106 Ų10662%0.61861%0.605SS**Hα-helixtrans-63.7-34.2178.5-128.4173.9000111.6S956 L963S956-L959 PolarHBondContact O-N 3.04Å; L959-L963 VanDerWaalsContact O-CB 3.23Å; L959-L963 WeakPolarHBondContact O-CB 3.43Å; L959-L963 PolarHBondContact O-N 2.77Å
960K60.8Low48.9Very low142 Ų142104.5 Ų104.562%0.61760%0.595SS**Hα-helixtrans-73.3-31.9175.5-162.7173-174.1174.80113S956 D957 T958 K964S956-K960 PolarHBondContact O-N 2.8Å; D957-K960 PolarHBondContact O-N 3.43Å; T958-K960 VanDerWaalsContact C-N 3.27Å; T958-K960 PolarHBondContact O-N 3.42Å; K960-K964 WeakPolarHBondContact O-CB 3.3Å; K960-K964 WeakPolarHBondContact O-CG 3.39Å; K960-K964 PolarHBondContact O-N 2.76Å
961A62.9Low49.7Very low58 Ų58103 Ų10348%0.47959%0.587SS.*Hα-helixtrans-73.9-45.3172.500000111.7D957 T958 K964 A965D957-A961 WeakPolarHBondContact O-CB 3.26Å; D957-A961 PolarHBondContact O-N 2.88Å; T958-A961 PolarHBondContact O-N 2.83Å; T958-A961 VanDerWaalsContact O-N 3.14Å; A961-K964 WeakPolarHBondContact O-CB 3.49Å; A961-K964 PolarHBondContact O-N 2.68Å; A961-A965 WeakPolarHBondContact O-CB 3.41Å; A961-A965 PolarHBondContact O-N 2.7Å
962E62.7Low50.8Low123 Ų12399.9 Ų99.958%0.57557%0.574SS**Hα-helixtrans-67.1-42177.1-74.6-169.1172.300112.4T958 K964 A965 L966T958-E962 WeakPolarHBondContact O-CB 3.22Å; T958-E962 PolarHBondContact O-N 3.33Å; E962-K964 VanDerWaalsContact C-N 3.29Å; E962-K964 PolarHBondContact O-N 2.84Å; E962-A965 CarbonylContact O-C 3.56Å; E962-A965 PolarHBondContact O-N 3.4Å; E962-L966 WeakPolarHBondContact O-CB 3.48Å; E962-L966 WeakPolarHBondContact O-CG 3.11Å; E962-L966 PolarHBondContact O-N 3.37Å
963L62Low51.8Low100 Ų10099.3 Ų99.352%0.52456%0.563SS.*Hα-helixtrans-64.9-36.2175.7-156.690.1000111.1L959 L967L959-L963 VanDerWaalsContact O-CB 3.23Å; L959-L963 WeakPolarHBondContact O-CB 3.43Å; L959-L963 PolarHBondContact O-N 2.77Å; L963-L967 HydrophobicContact CD2-CD1 4.13Å; L963-L967 HydrophobicContact CG-CD1 4.14Å; L963-L967 VanDerWaalsContact O-CB 3.27Å; L963-L967 WeakPolarHBondContact O-CB 3.33Å; L963-L967 WeakPolarHBondContact O-CD1 3.31Å; L963-L967 WeakPolarHBondContact O-CG 3.26Å; L963-L967 PolarHBondContact O-N 2.95Å
964K65.6Low52.9Low144 Ų14498.3 Ų98.363%0.62656%0.556SS**Hα-helixtrans-62.7-49.9169.6-85.4-176.7172.4-173.40111.4K960 A961 E962 L966 L967 T968K960-K964 WeakPolarHBondContact O-CB 3.3Å; K960-K964 WeakPolarHBondContact O-CG 3.39Å; K960-K964 PolarHBondContact O-N 2.76Å; A961-K964 WeakPolarHBondContact O-CB 3.49Å; A961-K964 PolarHBondContact O-N 2.68Å; E962-K964 VanDerWaalsContact C-N 3.29Å; E962-K964 PolarHBondContact O-N 2.84Å; K964-L966 VanDerWaalsContact C-N 3.35Å; K964-L966 PolarHBondContact O-N 2.8Å; K964-L967 PolarHBondContact O-N 3.08Å; K964-T968 WeakPolarHBondContact O-CG2 3.48Å; K964-T968 PolarHBondContact O-N 3.18Å; K964-T968 PolarHBondContact O-OG1 3.5Å
965A68.6Low53.5Low49 Ų4997.2 Ų97.241%0.40555%0.545SS..Hα-helixtrans-62.2-39.5-179.100000112.2A961 E962 T968 S969A961-A965 WeakPolarHBondContact O-CB 3.41Å; A961-A965 PolarHBondContact O-N 2.7Å; E962-A965 CarbonylContact O-C 3.56Å; E962-A965 PolarHBondContact O-N 3.4Å; A965-T968 PolarHBondContact O-OG1 2.94Å; A965-S969 WeakPolarHBondContact O-CA 3.47Å; A965-S969 WeakPolarHBondContact O-CB 3.48Å; A965-S969 PolarHBondContact O-N 3.19Å; A965-S969 PolarHBondContact O-OG 2.64Å
966L60Low54.6Low104 Ų10496.6 Ų96.655%0.54554%0.536SS..Hα-helixtrans-68.8-43.3175.4-75.7164.8000111.6E962 K964 S970E962-L966 WeakPolarHBondContact O-CB 3.48Å; E962-L966 WeakPolarHBondContact O-CG 3.11Å; E962-L966 PolarHBondContact O-N 3.37Å; K964-L966 VanDerWaalsContact C-N 3.35Å; K964-L966 PolarHBondContact O-N 2.8Å; L966-S970 WeakPolarHBondContact O-CA 3.39Å; L966-S970 WeakPolarHBondContact O-CB 3.32Å; L966-S970 PolarHBondContact O-N 2.78Å
967L58.1Low55.1Low110 Ų11097 Ų9758%0.57654%0.539SS*.Hα-helixtrans-67.9-35.3177.8-72.5169.9000112.8L963 K964 L971L963-L967 HydrophobicContact CD2-CD1 4.13Å; L963-L967 HydrophobicContact CG-CD1 4.14Å; L963-L967 VanDerWaalsContact O-CB 3.27Å; L963-L967 WeakPolarHBondContact O-CB 3.33Å; L963-L967 WeakPolarHBondContact O-CD1 3.31Å; L963-L967 WeakPolarHBondContact O-CG 3.26Å; L963-L967 PolarHBondContact O-N 2.95Å; K964-L967 PolarHBondContact O-N 3.08Å; L967-L971 WeakPolarHBondContact O-CB 3.48Å
968T56.9Low54.9Low85 Ų8597.9 Ų97.952%0.52154%0.538SS..Hα-helixtrans-83.5-39.2177.359.30000113.2K964 A965 I972K964-T968 WeakPolarHBondContact O-CG2 3.48Å; K964-T968 PolarHBondContact O-N 3.18Å; K964-T968 PolarHBondContact O-OG1 3.5Å; A965-T968 PolarHBondContact O-OG1 2.94Å; T968-I972 VanDerWaalsContact O-CB 3.3Å; T968-I972 WeakPolarHBondContact O-CB 3.46Å; T968-I972 WeakPolarHBondContact O-CD1 3.43Å; T968-I972 WeakPolarHBondContact O-CG1 3.26Å
969S48.4Very low54Low57 Ų57100.3 Ų100.340%0.39955%0.548SS..Hα-helixtrans-84.2-38-17870.70000113.8A965 N973A965-S969 WeakPolarHBondContact O-CA 3.47Å; A965-S969 WeakPolarHBondContact O-CB 3.48Å; A965-S969 PolarHBondContact O-N 3.19Å; A965-S969 PolarHBondContact O-OG 2.64Å; S969-N973 VanDerWaalsContact O-CB 3.26Å; S969-N973 WeakPolarHBondContact O-CB 3.34Å; S969-N973 PolarHBondContact O-N 2.78Å; S969-N973 PolarHBondContact O-ND2 2.98Å
970S52.5Low53.3Low74 Ų7499.8 Ų99.852%0.51755%0.554SS.*Hα-helixtrans-81.2-50-173.6-167.30000111.8L966 I972 S974L966-S970 WeakPolarHBondContact O-CA 3.39Å; L966-S970 WeakPolarHBondContact O-CB 3.32Å; L966-S970 PolarHBondContact O-N 2.78Å; S970-I972 PolarHBondContact O-N 2.95Å; S970-S974 WeakPolarHBondContact O-CB 3.3Å; S970-S974 PolarHBondContact O-N 3.4Å
971L45.1Very low52.1Low108 Ų10898.6 Ų98.657%0.56556%0.564SS**Hα-helixtrans-66.2-43.5-176.7-162.475.9000111.9L967 I975L967-L971 WeakPolarHBondContact O-CB 3.48Å; L971-I975 HydrophobicContact CG-CD1 4.11Å; L971-I975 WeakPolarHBondContact O-CD1 3.37Å; L971-I975 VanDerWaalsContact O-CG1 3.26Å; L971-I975 WeakPolarHBondContact O-CG1 3.16Å; L971-I975 PolarHBondContact O-N 2.85Å; L971-I975 VanDerWaalsContact O-N 3.1Å
972I52.9Low50.7Low89 Ų89101.6 Ų101.646%0.45658%0.576SS.*Hα-helixtrans-71.7-45.5-176.3-59-178.3000111T968 S970 S974 I975 I976T968-I972 VanDerWaalsContact O-CB 3.3Å; T968-I972 WeakPolarHBondContact O-CB 3.46Å; T968-I972 WeakPolarHBondContact O-CD1 3.43Å; T968-I972 WeakPolarHBondContact O-CG1 3.26Å; S970-I972 PolarHBondContact O-N 2.95Å; I972-S974 VanDerWaalsContact C-N 3.35Å; I972-S974 PolarHBondContact O-N 2.96Å; I972-I975 PolarHBondContact O-N 3.07Å; I972-I976 HydrophobicContact CG2-CD1 3.67Å; I972-I976 HydrophobicContact CG2-CG1 4.41Å; I972-I976 WeakPolarHBondContact O-CB 3.42Å; I972-I976 WeakPolarHBondContact O-CG1 3.48Å; I972-I976 PolarHBondContact O-N 3.33Å
973N54.1Low49.3Very low100 Ų100102.5 Ų102.554%0.53559%0.59SS.*Hα-helixtrans-67.6-34177.4-71.4-50000112.5S969 I976 S977S969-N973 VanDerWaalsContact O-CB 3.26Å; S969-N973 WeakPolarHBondContact O-CB 3.34Å; S969-N973 PolarHBondContact O-N 2.78Å; S969-N973 PolarHBondContact O-ND2 2.98Å; N973-I976 PolarHBondContact O-N 2.81Å; N973-S977 WeakPolarHBondContact O-CB 3.07Å; N973-S977 PolarHBondContact O-N 2.82Å
974S52.6Low48Very low64 Ų64102.9 Ų102.945%0.44860%0.597SS.*Hα-helixtrans-64.1-41.2174-171.40000112.1S970 I972 H978S970-S974 WeakPolarHBondContact O-CB 3.3Å; S970-S974 PolarHBondContact O-N 3.4Å; I972-S974 VanDerWaalsContact C-N 3.35Å; I972-S974 PolarHBondContact O-N 2.96Å; S974-H978 PolarHBondContact O-CD2 2.83Å
975I46.1Very low46.7Very low93 Ų93100.2 Ų100.248%0.47759%0.589SS.*Hα-helixtrans-66.8-39.9175.5-70.8167.7000111.9L971 I972L971-I975 HydrophobicContact CG-CD1 4.11Å; L971-I975 WeakPolarHBondContact O-CD1 3.37Å; L971-I975 VanDerWaalsContact O-CG1 3.26Å; L971-I975 WeakPolarHBondContact O-CG1 3.16Å; L971-I975 PolarHBondContact O-N 2.85Å; L971-I975 VanDerWaalsContact O-N 3.1Å; I972-I975 PolarHBondContact O-N 3.07Å
976I54.5Low45.6Very low117 Ų117102.9 Ų102.960%0.660%0.601SS**Hα-helixtrans-75.4-38.8-178.3-69.3174.4000112.2I972 N973 H978I972-I976 HydrophobicContact CG2-CD1 3.67Å; I972-I976 HydrophobicContact CG2-CG1 4.41Å; I972-I976 WeakPolarHBondContact O-CB 3.42Å; I972-I976 WeakPolarHBondContact O-CG1 3.48Å; I972-I976 PolarHBondContact O-N 3.33Å; N973-I976 PolarHBondContact O-N 2.81Å; I976-H978 PolarHBondContact O-N 3.4Å
977S46.6Very low45.1Very low88 Ų88102.9 Ų102.962%0.61560%0.601SS**Hα-helixtrans-68.4-32.6-174.6-169.40000113.5N973N973-S977 WeakPolarHBondContact O-CB 3.07Å; N973-S977 PolarHBondContact O-N 2.82Å
978H41Very low44.6Very low145 Ų145101 Ų10167%0.67159%0.592SS**THydrogen-bonded Turntrans-89.7-5.2-167.4-85.4-65.5000117.1S974 I976S974-H978 PolarHBondContact O-CD2 2.83Å; I976-H978 PolarHBondContact O-N 3.4Å
979N34.9Very low43.9Very low138 Ų138101.4 Ų101.474%0.73859%0.59SS**THydrogen-bonded Turntrans-128.837.9-174.9-71.8-70.6000114.6
980S33.8Very low44.1Very low107 Ų107106 Ų10675%0.74860%0.603SS**  trans-71.2141.7159.268.30000110
981S33.9Very low44.1Very low117 Ų117110.6 Ų110.682%0.81861%0.609SS**SBendtrans63.877.2-178-179.40000117.1
982V34.8Very low44Very low122 Ų122110.7 Ų110.774%0.73961%0.61SS**  -168.4147.2122.7138.90000109.5T984V982-T984 PolarHBondContact O-N 2.92Å
983T33.9Very low43.5Very low141 Ų141113.2 Ų113.287%0.86562%0.617SS**  trans-78.7113.9-178.951.90000112.3
984T33.8Very low43.2Very low108 Ų108112.3 Ų112.366%0.66362%0.619SS**  trans-124.8153.9165.648.50000110.5V982V982-T984 PolarHBondContact O-N 2.92Å
985D39.3Very low42.6Very low88 Ų88111.5 Ų111.547%0.47161%0.614SS.*  trans-75.1150-165.4-164.51.2000112.2N987 D988 L989D985-N987 PolarHBondContact O-N 2.67Å; D985-N987 PolarHBondContact OD2-ND2 2.86Å; D985-D988 PolarHBondContact O-N 2.83Å; D985-L989 PolarHBondContact O-N 3.37Å
986T44.9Very low42.2Very low105 Ų105110.7 Ų110.764%0.64461%0.608SS**Hα-helixtrans-55-27.6175.957.90000112.5K990T986-K990 VanDerWaalsContact O-CB 3.29Å; T986-K990 WeakPolarHBondContact O-CB 3.32Å; T986-K990 PolarHBondContact O-N 3.13Å
987N49.5Very low41.4Very low104 Ų104108 Ų10856%0.55660%0.6SS**Hα-helixtrans-65.1-39.5173.1-65.8-59.6000112.9D985 K990 R991D985-N987 PolarHBondContact O-N 2.67Å; D985-N987 PolarHBondContact OD2-ND2 2.86Å; N987-K990 PolarHBondContact O-N 2.96Å; N987-R991 VanDerWaalsContact O-CB 3.24Å; N987-R991 WeakPolarHBondContact O-CB 2.96Å; N987-R991 PolarHBondContact O-N 3.13Å
988D46.8Very low40.9Very low72 Ų72111.9 Ų111.939%0.38560%0.602SS.*Hα-helixtrans-76.7-32.6179.3-74.9-44.2000112D985 R991 L992D985-D988 PolarHBondContact O-N 2.83Å; D988-R991 CarbonylContact O-C 3.05Å; D988-R991 WeakPolarHBondContact O-CB 2.73Å; D988-R991 PolarHBondContact O-N 3.45Å; D988-R991 IonicContact OD1-NH1 2.68Å; D988-L992 WeakPolarHBondContact O-CB 3.47Å; D988-L992 PolarHBondContact O-N 3.46Å
989L42.8Very low40.6Very low93 Ų93110.5 Ų110.549%0.48760%0.599SS.*Hα-helixtrans-63.8-43.5169.8-126.7169.2000111D985 R991 L992 F993D985-L989 PolarHBondContact O-N 3.37Å; L989-R991 VanDerWaalsContact C-N 3.3Å; L989-R991 PolarHBondContact O-N 2.96Å; L989-L992 WeakPolarHBondContact O-CB 3.22Å; L989-L992 PolarHBondContact O-N 3.34Å; L989-F993 HydrophobicContact CD2-CD2 3.97Å; L989-F993 HydrophobicContact CD2-CE2 3.58Å; L989-F993 WeakPolarHBondContact O-CD2 3.45Å; L989-F993 PolarHBondContact O-N 2.81Å; L989-F993 VanDerWaalsContact O-N 3.15Å
990K53.4Low40.5Very low152 Ų152111 Ų11166%0.66160%0.601SS**Hα-helixtrans-65.8-32.3173.5-159.1170.3-170.5174.30112.1T986 N987 S994T986-K990 VanDerWaalsContact O-CB 3.29Å; T986-K990 WeakPolarHBondContact O-CB 3.32Å; T986-K990 PolarHBondContact O-N 3.13Å; N987-K990 PolarHBondContact O-N 2.96Å; K990-S994 WeakPolarHBondContact O-CB 3.35Å; K990-S994 PolarHBondContact O-N 3.32Å; K990-S994 PolarHBondContact O-OG 3.17Å
991R52.2Low40.5Very low171 Ų171109.6 Ų109.665%0.64559%0.59SS**Hα-helixtrans-71.5-38174.7-166.8177.1-174.8-173.21.8112.5N987 D988 L989 S994 S995N987-R991 VanDerWaalsContact O-CB 3.24Å; N987-R991 WeakPolarHBondContact O-CB 2.96Å; N987-R991 PolarHBondContact O-N 3.13Å; D988-R991 CarbonylContact O-C 3.05Å; D988-R991 WeakPolarHBondContact O-CB 2.73Å; D988-R991 PolarHBondContact O-N 3.45Å; D988-R991 IonicContact OD1-NH1 2.68Å; L989-R991 VanDerWaalsContact C-N 3.3Å; L989-R991 PolarHBondContact O-N 2.96Å; R991-S994 CarbonylContact O-C 3.6Å; R991-S994 PolarHBondContact O-N 3.4Å; R991-S995 VanDerWaalsContact O-CB 3.3Å; R991-S995 WeakPolarHBondContact O-CB 2.98Å; R991-S995 PolarHBondContact O-N 3.3Å; R991-S995 PolarHBondContact O-OG 3.19Å
992L41.4Very low40.4Very low111 Ų111107.7 Ų107.758%0.58158%0.577SS**Hα-helixtrans-57.7-53.4170.6-102.2154.3000110.8D988 L989 S994 S995 Q996D988-L992 WeakPolarHBondContact O-CB 3.47Å; D988-L992 PolarHBondContact O-N 3.46Å; L989-L992 WeakPolarHBondContact O-CB 3.22Å; L989-L992 PolarHBondContact O-N 3.34Å; L992-S994 VanDerWaalsContact C-N 3.33Å; L992-S994 PolarHBondContact O-N 3.47Å; L992-S995 CarbonylContact O-C 3.56Å; L992-S995 PolarHBondContact O-N 2.87Å; L992-S995 PolarHBondContact O-OG 3.09Å; L992-Q996 PolarHBondContact O-N 3.38Å
993F42.9Very low40.3Very low141 Ų141109.1 Ų109.162%0.61858%0.58SS**Hα-helixtrans-66.3-33.9176.2-74.7-65.3000113L989 S995L989-F993 HydrophobicContact CD2-CD2 3.97Å; L989-F993 HydrophobicContact CD2-CE2 3.58Å; L989-F993 WeakPolarHBondContact O-CD2 3.45Å; L989-F993 PolarHBondContact O-N 2.81Å; L989-F993 VanDerWaalsContact O-N 3.15Å; F993-S995 PolarHBondContact O-N 3.11Å
994S48Very low40.4Very low81 Ų81107.4 Ų107.457%0.56657%0.574SS**THydrogen-bonded Turntrans-75-4.8173.2-53.50000114.2K990 R991 L992 S997K990-S994 WeakPolarHBondContact O-CB 3.35Å; K990-S994 PolarHBondContact O-N 3.32Å; K990-S994 PolarHBondContact O-OG 3.17Å; R991-S994 CarbonylContact O-C 3.6Å; R991-S994 PolarHBondContact O-N 3.4Å; L992-S994 VanDerWaalsContact C-N 3.33Å; L992-S994 PolarHBondContact O-N 3.47Å; S994-S997 PolarHBondContact O-OG 3.14Å; S994-S997 VanDerWaalsContact O-OG 3.06Å
995S39.6Very low40.3Very low48 Ų48104.1 Ų104.134%0.33656%0.562SS.*THydrogen-bonded Turntrans-119.1-6176.654.40000114.3R991 L992 F993 S997 Y998R991-S995 VanDerWaalsContact O-CB 3.3Å; R991-S995 WeakPolarHBondContact O-CB 2.98Å; R991-S995 PolarHBondContact O-N 3.3Å; R991-S995 PolarHBondContact O-OG 3.19Å; L992-S995 CarbonylContact O-C 3.56Å; L992-S995 PolarHBondContact O-N 2.87Å; L992-S995 PolarHBondContact O-OG 3.09Å; F993-S995 PolarHBondContact O-N 3.11Å; S995-S997 PolarHBondContact O-N 3.32Å; S995-Y998 WeakPolarHBondContact O-CB 3.49Å; S995-Y998 PolarHBondContact O-N 3.46Å
996Q37.8Very low40.1Very low76 Ų76106.9 Ų106.936%0.35558%0.575SS.*Hα-helixtrans-63.3-17.8165.3-100.6-179.1-1100113.3L992 Y998 L999 L1000L992-Q996 PolarHBondContact O-N 3.38Å; Q996-Y998 PolarHBondContact O-N 3.2Å; Q996-L999 HydrophobicContact CG-CD1 4.18Å; Q996-L999 PolarHBondContact O-N 3.46Å; Q996-L1000 PolarHBondContact O-N 2.81Å; Q996-L1000 VanDerWaalsContact O-N 3.08Å
997S38.7Very low39.3Very low61 Ų61112.9 Ų112.943%0.42759%0.587SS.*Hα-helixtrans-50.2-34.7161.748.70000113.5S994 S995 S1001S994-S997 PolarHBondContact O-OG 3.14Å; S994-S997 VanDerWaalsContact O-OG 3.06Å; S995-S997 PolarHBondContact O-N 3.32Å; S997-S1001 PolarHBondContact O-N 3.43Å; S997-S1001 PolarHBondContact O-OG 2.73Å
998Y34.7Very low38.3Very low169 Ų169118.6 Ų118.666%0.66360%0.601SS**Hα-helixtrans-82.1-22176.3-61.6-78.4000113.4S995 Q996 S1001 S1002S995-Y998 WeakPolarHBondContact O-CB 3.49Å; S995-Y998 PolarHBondContact O-N 3.46Å; Q996-Y998 PolarHBondContact O-N 3.2Å; Y998-S1001 WeakPolarHBondContact O-CB 3.44Å; Y998-S1002 PolarHBondContact O-N 3.43Å; Y998-S1002 PolarHBondContact O-OG 2.74Å
999L35.8Very low37.6Very low116 Ų116123.2 Ų123.261%0.60763%0.626SS**Hα-helixtrans-82.5-37177.8-64.9-178.7000112.3Q996 S1001 S1002Q996-L999 HydrophobicContact CG-CD1 4.18Å; Q996-L999 PolarHBondContact O-N 3.46Å; L999-S1001 VanDerWaalsContact C-N 3.25Å; L999-S1001 PolarHBondContact O-N 2.94Å; L999-S1002 VanDerWaalsContact O-CB 3.3Å; L999-S1002 WeakPolarHBondContact O-CB 3.12Å; L999-S1002 PolarHBondContact O-N 3.26Å
1000L32.8Very low37.1Very low149 Ų149122.6 Ų122.678%0.7863%0.634SS**Hα-helixtrans-67.7-27.8167.9-79.1162.7000112.2Q996 S1002Q996-L1000 PolarHBondContact O-N 2.81Å; Q996-L1000 VanDerWaalsContact O-N 3.08Å; L1000-S1002 PolarHBondContact O-N 2.74Å
1001S33Very low36Very low76 Ų76124.3 Ų124.353%0.53164%0.641SS.*THydrogen-bonded Turntrans-68.3-7.3169-59.30000114.1S997 Y998 L999S997-S1001 PolarHBondContact O-N 3.43Å; S997-S1001 PolarHBondContact O-OG 2.73Å; Y998-S1001 WeakPolarHBondContact O-CB 3.44Å; L999-S1001 VanDerWaalsContact C-N 3.25Å; L999-S1001 PolarHBondContact O-N 2.94Å
1002S32Very low34.8Very low77 Ų77122.3 Ų122.354%0.53865%0.648SS.*THydrogen-bonded Turntrans-96-10.9-175-61.50000114.6Y998 L999 L1000Y998-S1002 PolarHBondContact O-N 3.43Å; Y998-S1002 PolarHBondContact O-OG 2.74Å; L999-S1002 VanDerWaalsContact O-CB 3.3Å; L999-S1002 WeakPolarHBondContact O-CB 3.12Å; L999-S1002 PolarHBondContact O-N 3.26Å; L1000-S1002 PolarHBondContact O-N 2.74Å
1003L33.1Very low34.2Very low152 Ų152125.5 Ų125.580%0.79666%0.66SS**THydrogen-bonded Turntrans-96.8-19.4177.6-137.472.1000113.7G1005L1003-G1005 PolarHBondContact O-N 2.7Å
1004S36Very low33.4Very low105 Ų105124.7 Ų124.773%0.73467%0.667SS**THydrogen-bonded Turntrans-8317170.356.70000113.5
1005G30.9Very low32.5Very low40 Ų40126.2 Ų126.241%0.41267%0.673SS.*THydrogen-bonded Turntrans-102.6-4.5-167.400000116.9L1003 Y1007 R1008L1003-G1005 PolarHBondContact O-N 2.7Å; G1005-Y1007 VanDerWaalsContact C-N 3.27Å; G1005-Y1007 PolarHBondContact O-N 3.43Å; G1005-R1008 PolarHBondContact O-N 3.48Å
1006I35Very low31.9Very low145 Ų145131.9 Ų131.974%0.74469%0.694SS**THydrogen-bonded Turntrans-73-12.2-164.8-68.5178.5000114.3
1007Y28.6Very low31.5Very low232 Ų232133.6 Ų133.691%0.9171%0.705SS**THydrogen-bonded Turntrans-116.767.6166.7-86.8-85.4000113G1005G1005-Y1007 VanDerWaalsContact C-N 3.27Å; G1005-Y1007 PolarHBondContact O-N 3.43Å
1008R29.9Very low31.2Very low224 Ų224134 Ų13485%0.84571%0.708SS**  trans-136.486.3156.6-76.5-163.4-174.4-178.85.2112.3G1005G1005-R1008 PolarHBondContact O-N 3.48Å
1009N31.9Very low30.9Very low169 Ų169130.5 Ų130.590%0.90471%0.708SS**  trans-149.7136157.2-89.4-49.8000106.9
1010A30.6Very low30.6Very low80 Ų80134 Ų13466%0.66172%0.721SS**  cis-151.8171.1300000112.3
1011K32.2Very low30.5Very low187 Ų187133.1 Ų133.181%0.81372%0.722SS**  trans35.3114.2151.6-66.5173.8-179.7177.10119
1012T26.5Very low30.3Very low129 Ų129137.2 Ų137.279%0.79173%0.733SS**  57.773.174.671.70000117
1013Q29.1Very low30.2Very low179 Ų179140.4 Ų140.484%0.83674%0.743SS**  trans-173.9123.6138.5-98.8157.910.200106.4
1014T25.4Very low30.3Very low124 Ų124138.6 Ų138.676%0.76174%0.74SS**  69.6124.881.5-38.10000113.8
1015T28.5Very low30.1Very low112 Ų112143 Ų14369%0.68774%0.742SS**  trans85.8106.2166.2-48.20000119.2
1016E28.4Very low30.4Very low168 Ų168147 Ų14779%0.78576%0.761SS**  trans38.5144.8131.7-51.5175.8163.800124.3
1017I29.6Very low30.2Very low112 Ų112145.5 Ų145.557%0.57475%0.753SS**  trans73.2102149.553.4172.1000122.3E461E461-I1017 VanDerWaalsContact OE1-CA 3.25Å; E461-I1017 WeakPolarHBondContact OE1-CA 3.27Å; E461-I1017 PolarHBondContact OE1-N 3.31Å
1018S30.4Very low30.6Very low70 Ų70141.3 Ų141.349%0.4975%0.752SS.*  86135.7109.9-169.80000121.3E461E461-S1018 PolarHBondContact OE1-N 2.69Å; E461-S1018 WeakPolarHBondContact OE2-CA 3.28Å; E461-S1018 PolarHBondContact OE2-N 3.06Å; E461-S1018 VanDerWaalsContact OE2-N 3.12Å
1019S29Very low30.6Very low94 Ų94134.6 Ų134.666%0.65774%0.739SS**  trans65.1121146.8500000120.8
1020E29.6Very low30.6Very low189 Ų189133.5 Ų133.588%0.88373%0.733SS**  trans30.8118.2137-58.5179.6159.600120.1
1021T31.1Very low30.6Very low131 Ų131134.2 Ų134.280%0.80473%0.734SS**  -170.4108.3119-70.30000111
1022E28.3Very low30.5Very low162 Ų162129.4 Ų129.476%0.75772%0.724SS**  trans20.7151.9133.4-115.7179.4-143.800124.6
1023L30.6Very low30.7Very low145 Ų145130.9 Ų130.976%0.75973%0.725SS**  trans77.5153.1154.8-62.6162.8000119.9
1024P34.5Very low30.7Very low114 Ų114126.6 Ų126.674%0.7472%0.715SS**  cis-134176.6-26.135.9-17.7000115.4
1025Y33.2Very low31.4Very low197 Ų197126.3 Ų126.377%0.77372%0.715SS**  trans-67.1169.9172.8-58-99.4000114.2I1027Y1025-I1027 HydrophobicContact CD1-CG1 4.2Å; Y1025-I1027 HydrophobicContact CG-CD1 4.16Å; Y1025-I1027 HydrophobicContact CG-CG1 4.1Å
1026P35.9Very low31.5Very low123 Ų123127.2 Ų127.280%0.79972%0.715SS**  -126.2141.781.137.7-29.8000112.1
1027I30.1Very low31.7Very low114 Ų114125.6 Ų125.659%0.58571%0.712SS**  62.499.850.8-57.5163.2000113.1Y1025Y1025-I1027 HydrophobicContact CD1-CG1 4.2Å; Y1025-I1027 HydrophobicContact CG-CD1 4.16Å; Y1025-I1027 HydrophobicContact CG-CG1 4.1Å
1028T37.1Very low32Very low145 Ų145125.1 Ų125.189%0.8972%0.716SS**  trans-135.193.3134.449.10000109.2
1029S30.3Very low31.9Very low83 Ų83126.1 Ų126.158%0.5872%0.723SS**  trans-52.4158.4162.3-42.30000112
1030N32.2Very low32Very low145 Ų145128.7 Ų128.778%0.77573%0.725SS**  -179.7107.4114-88.3-11.7000108.4
1031S30.2Very low31.9Very low96 Ų96125.6 Ų125.667%0.67171%0.714SS**  84.9162.778.277.40000111
1032S31.3Very low31.7Very low86 Ų86123.2 Ų123.260%0.60170%0.702SS**  cis-162150.423.8-17.40000113.6
1033I30.6Very low31.6Very low159 Ų159122.7 Ų122.782%0.81570%0.704SS**  trans72.8133.1136.5-66.8163.4000118.5
1034S28.6Very low31.6Very low90 Ų90120.4 Ų120.463%0.62970%0.7SS**  cis-167.2147.5-22.6-95.70000110.4
1035P40.5Very low31.8Very low117 Ų117119 Ų11976%0.7669%0.691SS**  trans-84.8161155.537.3-34.1000111.6
1036L30.7Very low31.5Very low131 Ų131118.9 Ų118.969%0.68669%0.694SS**  trans-168.7147.2168-114.4106.5000107.2
1037N31.6Very low31.1Very low134 Ų134116.4 Ų116.472%0.71767%0.674SS**  cis-162173.1-16-122.69.9000109.7
1038P36.4Very low30.9Very low102 Ų102114.1 Ų114.166%0.66267%0.673SS**  trans-127.1-160.2-157.543.3-29.3000115
1039S28.6Very low30.5Very low92 Ų92114 Ų11464%0.64366%0.662SS**  trans89154.5165.2-29.80000114.8
1040Q29.6Very low30.4Very low147 Ų147115.8 Ų115.869%0.68766%0.664SS**  cis-159.4148.142.4-84.6-162.3-2.200115.9
1041L28.7Very low30.2Very low125 Ų125115.5 Ų115.565%0.65466%0.658SS**  trans60120.9141.8-58.6170.7000118.8
1042S26.6Very low30.1Very low80 Ų80118.2 Ų118.256%0.55966%0.658SS**  57.4126.36993.30000113.7
1043L26.9Very low30Very low152 Ų152121 Ų12180%0.79667%0.666SS**  -168.9148.459.7-87.7134.3000113.2
1044S29.6Very low29.9Very low96 Ų96117.8 Ų117.867%0.67166%0.657SS**  22.3161117-148.70000121.1
1045P38.8Very low29.9Very low85 Ų85119.3 Ų119.355%0.55266%0.658SS**  -134.1-179.5-55.240.7-26.4000112.1
1046K26.5Very low29.4Very low195 Ų195119.3 Ų119.385%0.84865%0.651SS**  trans172.6163.6134.4-96.6153.7-169.5168.80117.3
1047N27.9Very low29.2Very low71 Ų71118.4 Ų118.438%0.3865%0.652SS.*  trans-74.1150.7179.7-60.7-7.2000115.6S491 V492S491-N1047 WeakPolarHBondContact CB-OD1 3.37Å; S491-N1047 PolarHBondContact O-ND2 2.99Å; S491-N1047 PolarHBondContact O-OD1 2.89Å; S491-N1047 PolarHBondContact OG-OD1 2.94Å; V492-N1047 WeakPolarHBondContact CG2-ND2 3.31Å
1048A27.1Very low29.1Very low66 Ų66116.8 Ų116.855%0.54565%0.651SS.*  -148.5128.5127.900000106.7
1049Q27.4Very low28.6Very low141 Ų141117.4 Ų117.466%0.65965%0.649SS**  62.4113.471.1-66.6-167-15.700111.6
1050L28.4Very low28.7Very low121 Ų121118.5 Ų118.563%0.63465%0.647SS**  63.4127.894.5-68.3166.2000110.4
1051E28Very low28.7Very low139 Ų139118.1 Ų118.165%0.6565%0.645SS**  cis-142.3159.948.5-70.6-157.1140.700113.4
1052K29.2Very low28.6Very low154 Ų154119.8 Ų119.867%0.6765%0.65SS**  47.2144.6108.9-48170.1-164153.80115.1
1053L28.6Very low28.7Very low145 Ų145120.2 Ų120.276%0.75965%0.653SS**  cis-126.4149.519.3-71.9160.1000108.7
1054S27.9Very low28.6Very low90 Ų90120.4 Ų120.463%0.62966%0.655SS**  43.2130.181.192.70000113
1055D29.4Very low28.7Very low122 Ų122120.4 Ų120.465%0.65266%0.66SS**  -154.115467.4-114.218.9000116.8
1056N29.2Very low28.2Very low117 Ų117123 Ų12363%0.62667%0.67SS**  trans70.9113.8147.7-64.3-37.8000122.3
1057T28.1Very low28.6Very low113 Ų113118.4 Ų118.469%0.69366%0.66SS**  43.5123.791.3-40.30000114.4
1058S28.1Very low28.8Very low99 Ų99121 Ų12169%0.69268%0.679SS**  cis-156.4148.945.5740000115.2
1059N27Very low28.8Very low116 Ų116126.3 Ų126.362%0.6269%0.692SS**  58.2149.1121.7-75.745000123.4
1060D29.2Very low29.3Very low114 Ų114130.1 Ų130.161%0.6170%0.7SS**  trans62.6133.4134.5-61.1-27.9000119.3
1061Q29.6Very low29.7Very low139 Ų139130 Ų13065%0.6571%0.707SS**  cis-164.8150.64.8-123.115836.600110.7
1062Q28.5Very low29.8Very low160 Ų160129.9 Ų129.975%0.74871%0.71SS**  42.7110.6124.3-163.916914.100116.1
1063S26.9Very low29.9Very low90 Ų90127.1 Ų127.163%0.62971%0.709SS**  175.5172.351.741.90000112.9
1064N26.3Very low30Very low156 Ų156127.7 Ų127.783%0.83471%0.712SS**  trans32.8132.9142-50.8-11.8000119
1065A30.1Very low30.1Very low95 Ų95127 Ų12779%0.78572%0.72SS**  cis-162.5159.934.100000115
1066N29.8Very low30.2Very low140 Ų140126.8 Ų126.875%0.74972%0.715SS**  trans-64.9163.7147.2-83.2-38000109.7
1067P33.5Very low30.3Very low99 Ų99126.3 Ų126.364%0.64371%0.71SS**  cis-134-177.33144-26.2000113.4E1069P1067-E1069 HydrophobicContact CB-CG 4.47Å; P1067-E1069 HydrophobicContact CG-CG 4.11Å
1068T31.9Very low30.4Very low126 Ų126128 Ų12877%0.77372%0.715SS**  cis7353.117.4-47.50000116.7
1069E28.2Very low30.4Very low177 Ų177129.8 Ų129.883%0.82772%0.717SS**  trans-117.7118.4160.5-68.7-151.8154.400113.1P1067P1067-E1069 HydrophobicContact CB-CG 4.47Å; P1067-E1069 HydrophobicContact CG-CG 4.11Å
1070R37.5Very low30.6Very low221 Ų221132 Ų13283%0.83472%0.724SS**  trans-75.4161.3158.3-53.5168.2163.4170.4-4.3107.2
1071P37.1Very low30.6Very low119 Ų119131.4 Ų131.477%0.77373%0.728SS**  -149.2167.278.536.8-17000117.9
1072L30.4Very low30.7Very low136 Ų136132.5 Ų132.571%0.71274%0.737SS**  trans-18.8161.7140.1-67.370.8000116.3
1073C30.8Very low31Very low96 Ų96131.1 Ų131.165%0.64973%0.734SS**  cis-156.6175.220.7-137.50000114.8
1074D31.2Very low31.4Very low156 Ų156134 Ų13483%0.83474%0.743SS**  trans18.6128.3155.4-65.2-50.4000121.6
1075G29.3Very low31.8Very low77 Ų77132.6 Ų132.679%0.79474%0.735SS**  trans-171.455.5177.300000117.4
1076H32.1Very low31.9Very low116 Ų116139.3 Ų139.354%0.53774%0.742SS.*  trans15.9115.6151.8-162.4-76.1000120.4T620T620-H1076 WeakPolarHBondContact CA-NE2 3.45Å; T620-H1076 WeakPolarHBondContact CB-NE2 2.91Å; T620-H1076 WeakPolarHBondContact CG2-NE2 3.05Å; T620-H1076 PolarHBondContact N-NE2 2.85Å; T620-H1076 PolarHBondContact OG1-NE2 3.26Å
1077M30.6Very low32.1Very low108 Ų108137.1 Ų137.153%0.53274%0.735SS.*  trans34.8114.1150.7-44.6-88.886.700119.4T619T619-M1077 HydrophobicContact CG2-CB 4.43Å; T619-M1077 HydrophobicContact CG2-CG 3.59Å; T619-M1077 HydrophobicContact CG2-SD 3.57Å; T619-M1077 VanDerWaalsContact CG2-SD 3.57Å
1078D29.6Very low32Very low148 Ų148139.5 Ų139.579%0.79174%0.743SS**  -172.9177.3101-121.3-42.9000113.6Q1080D1078-Q1080 PolarHBondContact O-N 3.1Å
1079N29.2Very low32Very low136 Ų136142.8 Ų142.873%0.72775%0.746SS**  trans-61.4115.9-174-62.1-94.8000115
1080Q30.7Very low32.3Very low164 Ų164141.5 Ų141.577%0.76674%0.744SS**  trans-166.4161.7142.5-110.9143.5119.300114.9D1078D1078-Q1080 PolarHBondContact O-N 3.1Å
1081S29Very low32.2Very low100 Ų100137.4 Ų137.470%0.69974%0.744SS**  trans-77.8147.8177.8-1720000112.4
1082I32.7Very low32.4Very low163 Ų163137.6 Ų137.684%0.83674%0.743SS**  trans-156.3136.2152.4-101147.6000108.3
1083D34.4Very low33.5Very low130 Ų130135.3 Ų135.370%0.69573%0.731SS**  trans-77.3163.5176.9-60.9-86.6000112.6
1084N34.2Very low35.3Very low152 Ų152136.4 Ų136.481%0.81373%0.731SS**  trans-153.399.6141.2-108.3-38.7000113.7
1085N35.3Very low37.2Very low125 Ų125133.9 Ų133.967%0.66872%0.717SS**  trans6.1121.5152-61.4-69.7000120
1086Y32Very low39.3Very low236 Ų236134.6 Ų134.693%0.92570%0.702SS**  -127.7119.6127.6-100.2-92.7000107.6
1087P34.4Very low41.3Very low94 Ų94132.2 Ų132.261%0.6169%0.693SS**  trans-91176.9-170.335.9-36.9000114.4
1088N32.3Very low43.6Very low149 Ų149133.5 Ų133.580%0.79770%0.695SS**  trans78.966.2161.1-57.6-20.5000119.6
1089K32Very low45.9Very low196 Ų196129.9 Ų129.985%0.85268%0.679SS**SBend-168.7141.6128-108.8164.1-176.1174.30113.2
1090L33.9Very low48.3Very low149 Ų149127.3 Ų127.378%0.7866%0.664SS**  trans58.489174.2-72.378.8000117.4
1091T35.5Very low50.7Low135 Ų135126 Ų12683%0.82866%0.656SS**  trans-132.54.1170.730.10000115.8
1092V41.4Very low53.3Low123 Ų123126 Ų12675%0.74565%0.645SS**SBendtrans-81.5-16.6-176.8-178.30000113.5
1093N53.2Low55.6Low89 Ų89127.4 Ų127.448%0.47664%0.64SS.*Hα-helixtrans-90.8-25.2-166.4-77.2-38.2000116.1L1096 I1097N1093-L1096 PolarHBondContact O-N 2.66Å; N1093-I1097 HydrophobicContact CB-CD1 4.14Å; N1093-I1097 VanDerWaalsContact O-CB 3.26Å; N1093-I1097 WeakPolarHBondContact O-CB 3.41Å; N1093-I1097 WeakPolarHBondContact O-CD1 3.38Å; N1093-I1097 WeakPolarHBondContact O-CG1 3.17Å; N1093-I1097 PolarHBondContact O-N 2.69Å
1094D67.8Low57.9Low119 Ų119126.4 Ų126.464%0.63663%0.633SS**Hα-helixtrans-74.4-38.5-168.5-100.8-20.8000114.1I1097 K1098D1094-I1097 PolarHBondContact O-N 3.41Å; D1094-K1098 PolarHBondContact O-N 2.64Å
1095D72Confident60.2Low102 Ų102123.3 Ų123.355%0.54562%0.616SS.*Hα-helixtrans-75.4-27.7173.2-73.5-36.6000112.2K1098 T1099D1095-K1098 WeakPolarHBondContact OD1-CD 3.12Å; D1095-K1098 IonicContact OD1-NZ 3.47Å; D1095-K1098 PolarHBondContact OD1-NZ 2.84Å; D1095-T1099 VanDerWaalsContact O-CB 3.27Å; D1095-T1099 WeakPolarHBondContact O-CB 3.48Å; D1095-T1099 PolarHBondContact O-N 2.71Å; D1095-T1099 PolarHBondContact O-OG1 3.07Å
1096L72.7Confident62.4Low93 Ų93121 Ų12149%0.48760%0.604SS.*Hα-helixtrans-65-42.9167.3-172.567.6000110.8N1093 T1099 I1100N1093-L1096 PolarHBondContact O-N 2.66Å; L1096-T1099 PolarHBondContact O-N 2.79Å; L1096-I1100 HydrophobicContact CD1-CD1 4.41Å; L1096-I1100 HydrophobicContact CG-CD1 3.96Å; L1096-I1100 WeakPolarHBondContact O-CB 3.13Å; L1096-I1100 VanDerWaalsContact O-CG1 3.26Å; L1096-I1100 WeakPolarHBondContact O-CG1 3.45Å; L1096-I1100 PolarHBondContact O-N 2.56Å
1097I73.5Confident64.8Low66 Ų66117.7 Ų117.734%0.33859%0.594SS.*Hα-helixtrans-66.6-39.9176.2-75.3166.2000111.4N1093 D1094 K1101N1093-I1097 HydrophobicContact CB-CD1 4.14Å; N1093-I1097 VanDerWaalsContact O-CB 3.26Å; N1093-I1097 WeakPolarHBondContact O-CB 3.41Å; N1093-I1097 WeakPolarHBondContact O-CD1 3.38Å; N1093-I1097 WeakPolarHBondContact O-CG1 3.17Å; N1093-I1097 PolarHBondContact O-N 2.69Å; D1094-I1097 PolarHBondContact O-N 3.41Å; I1097-K1101 HydrophobicContact CG2-CD 3.85Å; I1097-K1101 VanDerWaalsContact CG2-CE 3.44Å; I1097-K1101 HydrophobicContact CG2-CG 4.48Å; I1097-K1101 VanDerWaalsContact CG2-NZ 3.28Å; I1097-K1101 VanDerWaalsContact O-CB 3.27Å; I1097-K1101 WeakPolarHBondContact O-CB 3.29Å; I1097-K1101 WeakPolarHBondContact O-CD 3.19Å; I1097-K1101 WeakPolarHBondContact O-CG 3.4Å; I1097-K1101 PolarHBondContact O-N 2.88Å
1098K79.6Confident66.7Low135 Ų135120.8 Ų120.859%0.58760%0.595SS**Hα-helixtrans-59.4-48.8168.4-85.4175.9-170.51560110.9D1094 D1095 I1100 K1101 Q1102D1094-K1098 PolarHBondContact O-N 2.64Å; D1095-K1098 WeakPolarHBondContact OD1-CD 3.12Å; D1095-K1098 IonicContact OD1-NZ 3.47Å; D1095-K1098 PolarHBondContact OD1-NZ 2.84Å; K1098-I1100 VanDerWaalsContact C-N 3.33Å; K1098-I1100 PolarHBondContact O-N 2.89Å; K1098-K1101 CarbonylContact O-C 3.4Å; K1098-K1101 PolarHBondContact O-N 2.75Å; K1098-Q1102 WeakPolarHBondContact O-CB 3.25Å; K1098-Q1102 PolarHBondContact O-N 2.78Å
1099T78.3Confident68.9Low71 Ų71117.5 Ų117.544%0.43658%0.576SS.*Hα-helixtrans-63.3-39.6-177.6-600000111.5D1095 L1096 Q1102 R1103D1095-T1099 VanDerWaalsContact O-CB 3.27Å; D1095-T1099 WeakPolarHBondContact O-CB 3.48Å; D1095-T1099 PolarHBondContact O-N 2.71Å; D1095-T1099 PolarHBondContact O-OG1 3.07Å; L1096-T1099 PolarHBondContact O-N 2.79Å; T1099-Q1102 PolarHBondContact O-N 2.8Å; T1099-R1103 WeakPolarHBondContact O-CB 3.13Å; T1099-R1103 PolarHBondContact O-N 2.87Å
1100I79.9Confident71Confident83 Ų83112.5 Ų112.543%0.42656%0.559SS.*Hα-helixtrans-67-46.8173.2-70.7167.7000110.7L1096 K1098 Q1102 R1103 I1104L1096-I1100 HydrophobicContact CD1-CD1 4.41Å; L1096-I1100 HydrophobicContact CG-CD1 3.96Å; L1096-I1100 WeakPolarHBondContact O-CB 3.13Å; L1096-I1100 VanDerWaalsContact O-CG1 3.26Å; L1096-I1100 WeakPolarHBondContact O-CG1 3.45Å; L1096-I1100 PolarHBondContact O-N 2.56Å; K1098-I1100 VanDerWaalsContact C-N 3.33Å; K1098-I1100 PolarHBondContact O-N 2.89Å; I1100-Q1102 VanDerWaalsContact C-N 3.31Å; I1100-Q1102 PolarHBondContact O-N 3.46Å; I1100-R1103 PolarHBondContact O-N 3.05Å; I1100-I1104 HydrophobicContact CG2-CD1 3.7Å; I1100-I1104 HydrophobicContact CG2-CG1 4.42Å; I1100-I1104 WeakPolarHBondContact O-CB 3.17Å; I1100-I1104 VanDerWaalsContact O-CG1 3.26Å; I1100-I1104 WeakPolarHBondContact O-CG1 3.23Å; I1100-I1104 PolarHBondContact O-N 3.4Å
1101K81.5Confident72.9Confident137 Ų137108.7 Ų108.760%0.59655%0.549SS*.Hα-helixtrans-59-41.1174.8-76.6167-179.8166.80111.7I1097 K1098 I1104 L1105I1097-K1101 HydrophobicContact CG2-CD 3.85Å; I1097-K1101 VanDerWaalsContact CG2-CE 3.44Å; I1097-K1101 HydrophobicContact CG2-CG 4.48Å; I1097-K1101 VanDerWaalsContact CG2-NZ 3.28Å; I1097-K1101 VanDerWaalsContact O-CB 3.27Å; I1097-K1101 WeakPolarHBondContact O-CB 3.29Å; I1097-K1101 WeakPolarHBondContact O-CD 3.19Å; I1097-K1101 WeakPolarHBondContact O-CG 3.4Å; I1097-K1101 PolarHBondContact O-N 2.88Å; K1098-K1101 CarbonylContact O-C 3.4Å; K1098-K1101 PolarHBondContact O-N 2.75Å; K1101-I1104 PolarHBondContact O-N 2.79Å; K1101-L1105 VanDerWaalsContact O-CB 3.22Å; K1101-L1105 WeakPolarHBondContact O-CB 3.17Å; K1101-L1105 PolarHBondContact O-N 3.06Å
1102Q84Confident74.5Confident100 Ų100104 Ų10447%0.46752%0.519SS..Hα-helixtrans-71.3-39.4178.2-164.365.646.100111.8K1098 T1099 I1100 L1105 N1106K1098-Q1102 WeakPolarHBondContact O-CB 3.25Å; K1098-Q1102 PolarHBondContact O-N 2.78Å; T1099-Q1102 PolarHBondContact O-N 2.8Å; I1100-Q1102 VanDerWaalsContact C-N 3.31Å; I1100-Q1102 PolarHBondContact O-N 3.46Å; Q1102-L1105 PolarHBondContact O-N 3.37Å; Q1102-N1106 PolarHBondContact NE2-OD1 3.44Å; Q1102-N1106 VanDerWaalsContact O-CB 3.23Å; Q1102-N1106 WeakPolarHBondContact O-CB 3.47Å; Q1102-N1106 PolarHBondContact O-N 2.68Å; Q1102-N1106 PolarHBondContact O-OD1 2.69Å
1103R81Confident75.7Confident192 Ų192103.1 Ų103.173%0.72551%0.505SS*.Hα-helixtrans-62.5-43.8171.3-86.4-178.4165.1164.8-3.6111.6T1099 I1100 K1107T1099-R1103 WeakPolarHBondContact O-CB 3.13Å; T1099-R1103 PolarHBondContact O-N 2.87Å; I1100-R1103 PolarHBondContact O-N 3.05Å; R1103-K1107 WeakPolarHBondContact O-CB 3.49Å; R1103-K1107 PolarHBondContact O-N 2.77Å
1104I81.9Confident76Confident109 Ų109104.8 Ų104.856%0.55951%0.51SS*.Hα-helixtrans-64.1-46.2176.1-69.2167.9000110.5I1100 K1101 K1107 Y1108I1100-I1104 HydrophobicContact CG2-CD1 3.7Å; I1100-I1104 HydrophobicContact CG2-CG1 4.42Å; I1100-I1104 WeakPolarHBondContact O-CB 3.17Å; I1100-I1104 VanDerWaalsContact O-CG1 3.26Å; I1100-I1104 WeakPolarHBondContact O-CG1 3.23Å; I1100-I1104 PolarHBondContact O-N 3.4Å; K1101-I1104 PolarHBondContact O-N 2.79Å; I1104-K1107 PolarHBondContact O-N 3.24Å; I1104-Y1108 WeakPolarHBondContact O-CB 3.35Å; I1104-Y1108 PolarHBondContact O-N 3.42Å
1105L83Confident75.2Confident86 Ų86106.5 Ų106.545%0.4551%0.508SS..Hα-helixtrans-63.3-46178.2-177.860.6000111.7K1101 Q1102 K1107 Y1108 I1109K1101-L1105 VanDerWaalsContact O-CB 3.22Å; K1101-L1105 WeakPolarHBondContact O-CB 3.17Å; K1101-L1105 PolarHBondContact O-N 3.06Å; Q1102-L1105 PolarHBondContact O-N 3.37Å; L1105-K1107 VanDerWaalsContact C-N 3.34Å; L1105-K1107 PolarHBondContact O-N 2.86Å; L1105-Y1108 PolarHBondContact O-N 2.87Å; L1105-I1109 HydrophobicContact CD1-CD1 4.08Å; L1105-I1109 HydrophobicContact CD1-CG1 4.35Å; L1105-I1109 HydrophobicContact CG-CD1 3.9Å; L1105-I1109 WeakPolarHBondContact O-CB 3.41Å; L1105-I1109 VanDerWaalsContact O-CG1 3.28Å; L1105-I1109 WeakPolarHBondContact O-CG1 3.42Å; L1105-I1109 PolarHBondContact O-N 3.08Å
1106N81.1Confident74.2Confident77 Ų77106.5 Ų106.541%0.41251%0.507SS..Hα-helixtrans-63.7-38.4176-71.45.6000111.6Q1102 I1109 N1110Q1102-N1106 PolarHBondContact NE2-OD1 3.44Å; Q1102-N1106 VanDerWaalsContact O-CB 3.23Å; Q1102-N1106 WeakPolarHBondContact O-CB 3.47Å; Q1102-N1106 PolarHBondContact O-N 2.68Å; Q1102-N1106 PolarHBondContact O-OD1 2.69Å; N1106-I1109 PolarHBondContact O-N 2.85Å; N1106-N1110 WeakPolarHBondContact O-CB 3.33Å; N1106-N1110 PolarHBondContact O-N 3.26Å
1107K81.8Confident73.4Confident166 Ų166106.3 Ų106.372%0.72251%0.51SS*.Hα-helixtrans-67.2-37.4175-165.2169.5-173.41750111.5R1103 I1104 L1105 A1111R1103-K1107 WeakPolarHBondContact O-CB 3.49Å; R1103-K1107 PolarHBondContact O-N 2.77Å; I1104-K1107 PolarHBondContact O-N 3.24Å; L1105-K1107 VanDerWaalsContact C-N 3.34Å; L1105-K1107 PolarHBondContact O-N 2.86Å; K1107-A1111 WeakPolarHBondContact O-CB 3.14Å; K1107-A1111 PolarHBondContact O-N 2.8Å
1108Y74.3Confident72.4Confident160 Ų160108 Ų10863%0.62752%0.523SS*.Hα-helixtrans-70.2-39.2174.4-160.2-94.3000112.3I1104 L1105 N1112I1104-Y1108 WeakPolarHBondContact O-CB 3.35Å; I1104-Y1108 PolarHBondContact O-N 3.42Å; L1105-Y1108 PolarHBondContact O-N 2.87Å; Y1108-N1112 WeakPolarHBondContact CD1-ND2 3.17Å; Y1108-N1112 VanDerWaalsContact CE1-ND2 3.31Å; Y1108-N1112 WeakPolarHBondContact CE1-ND2 3.49Å; Y1108-N1112 WeakPolarHBondContact O-CB 3.26Å; Y1108-N1112 PolarHBondContact O-N 3.31Å; Y1108-N1112 VanDerWaalsContact O-N 3.09Å; Y1108-N1112 PolarHBondContact O-ND2 3.11Å
1109I78.3Confident70.6Confident79 Ų79106.1 Ų106.141%0.40552%0.519SS..Hα-helixtrans-64.9-49.7174.5-72.2167.3000110.2L1105 N1106 N1112 K1113L1105-I1109 HydrophobicContact CD1-CD1 4.08Å; L1105-I1109 HydrophobicContact CD1-CG1 4.35Å; L1105-I1109 HydrophobicContact CG-CD1 3.9Å; L1105-I1109 WeakPolarHBondContact O-CB 3.41Å; L1105-I1109 VanDerWaalsContact O-CG1 3.28Å; L1105-I1109 WeakPolarHBondContact O-CG1 3.42Å; L1105-I1109 PolarHBondContact O-N 3.08Å; N1106-I1109 PolarHBondContact O-N 2.85Å; I1109-N1112 CarbonylContact O-C 3.6Å; I1109-N1112 PolarHBondContact O-N 2.85Å; I1109-K1113 WeakPolarHBondContact O-CG 3.5Å; I1109-K1113 PolarHBondContact O-N 2.91Å
1110N76.4Confident69.2Low91 Ų91106.8 Ų106.849%0.48753%0.527SS..Hα-helixtrans-66.2-38.9179.2-76.5-5.6000112.1N1106 N1112 K1113N1106-N1110 WeakPolarHBondContact O-CB 3.33Å; N1106-N1110 PolarHBondContact O-N 3.26Å; N1110-N1112 PolarHBondContact O-N 3.17Å; N1110-K1113 PolarHBondContact O-N 3.46Å; N1110-K1113 WeakPolarHBondContact OD1-CE 3.45Å; N1110-K1113 PolarHBondContact OD1-NZ 2.76Å
1111A73Confident67.4Low69 Ų69106 Ų10657%0.5754%0.539SS*.Hα-helixtrans-63.8-27.4173.900000113.5K1107K1107-A1111 WeakPolarHBondContact O-CB 3.14Å; K1107-A1111 PolarHBondContact O-N 2.8Å
1112N70.2Confident65.3Low37 Ų37106.2 Ų106.220%0.19855%0.546CS..Hα-helixtrans-94.4-7.8175.2-74.5-77.8000113.9Y1108 I1109 N1110 W1115 L1116Y1108-N1112 WeakPolarHBondContact CD1-ND2 3.17Å; Y1108-N1112 VanDerWaalsContact CE1-ND2 3.31Å; Y1108-N1112 WeakPolarHBondContact CE1-ND2 3.49Å; Y1108-N1112 WeakPolarHBondContact O-CB 3.26Å; Y1108-N1112 PolarHBondContact O-N 3.31Å; Y1108-N1112 VanDerWaalsContact O-N 3.09Å; Y1108-N1112 PolarHBondContact O-ND2 3.11Å; I1109-N1112 CarbonylContact O-C 3.6Å; I1109-N1112 PolarHBondContact O-N 2.85Å; N1110-N1112 PolarHBondContact O-N 3.17Å; N1112-W1115 PolarHBondContact O-N 3.29Å; N1112-L1116 WeakPolarHBondContact O-CB 3.45Å; N1112-L1116 WeakPolarHBondContact O-CG 3.18Å; N1112-L1116 PolarHBondContact O-N 3.44Å
1113K67.1Low63Low105 Ų105108.4 Ų108.446%0.45756%0.561SS.*Hα-helixtrans-61.7-48.2175.3-89.4178.5-178162.90110.9I1109 N1110 W1115 L1116 V1117I1109-K1113 WeakPolarHBondContact O-CG 3.5Å; I1109-K1113 PolarHBondContact O-N 2.91Å; N1110-K1113 PolarHBondContact O-N 3.46Å; N1110-K1113 WeakPolarHBondContact OD1-CE 3.45Å; N1110-K1113 PolarHBondContact OD1-NZ 2.76Å; K1113-W1115 VanDerWaalsContact C-N 3.27Å; K1113-W1115 PolarHBondContact O-N 3.04Å; K1113-L1116 CarbonylContact O-C 3.55Å; K1113-L1116 PolarHBondContact O-N 2.87Å; K1113-L1116 VanDerWaalsContact O-N 3.12Å; K1113-V1117 WeakPolarHBondContact O-CB 3.27Å; K1113-V1117 VanDerWaalsContact O-CG2 3.31Å; K1113-V1117 WeakPolarHBondContact O-CG2 3.39Å; K1113-V1117 PolarHBondContact O-N 3.1Å
1114E58.6Low60.8Low124 Ų124107.7 Ų107.758%0.57957%0.571SS**Hα-helixtrans-57.1-41.6177.6-60.1-46.2115.600112.3T1118E1114-T1118 WeakPolarHBondContact O-CB 3.46Å; E1114-T1118 PolarHBondContact O-N 2.83Å; E1114-T1118 PolarHBondContact O-OG1 3.38Å
1115W52.2Low58.5Low155 Ų155105.8 Ų105.859%0.58758%0.579SS**Hα-helixtrans-68-41176.6-177.850.3000112.7N1112 K1113 T1118 L1119N1112-W1115 PolarHBondContact O-N 3.29Å; K1113-W1115 VanDerWaalsContact C-N 3.27Å; K1113-W1115 PolarHBondContact O-N 3.04Å; W1115-T1118 PolarHBondContact O-N 3.18Å; W1115-L1119 HydrophobicContact CD2-CD1 4.1Å; W1115-L1119 HydrophobicContact CG-CD1 4.46Å; W1115-L1119 HydrophobicContact CH2-CD1 4.47Å; W1115-L1119 HydrophobicContact CZ2-CD1 3.74Å; W1115-L1119 WeakPolarHBondContact O-CB 3.43Å; W1115-L1119 WeakPolarHBondContact O-CG 3.44Å; W1115-L1119 PolarHBondContact O-N 2.93Å
1116L49.4Very low56.3Low102 Ų102111.2 Ų111.253%0.53460%0.599SS.*Hα-helixtrans-72.2-32.4176.9-78.3165.7000113.2N1112 K1113 L1119 S1120N1112-L1116 WeakPolarHBondContact O-CB 3.45Å; N1112-L1116 WeakPolarHBondContact O-CG 3.18Å; N1112-L1116 PolarHBondContact O-N 3.44Å; K1113-L1116 CarbonylContact O-C 3.55Å; K1113-L1116 PolarHBondContact O-N 2.87Å; K1113-L1116 VanDerWaalsContact O-N 3.12Å; L1116-L1119 PolarHBondContact O-N 3.45Å; L1116-S1120 VanDerWaalsContact O-CB 3.32Å; L1116-S1120 WeakPolarHBondContact O-CB 3.4Å; L1116-S1120 PolarHBondContact O-N 3.45Å; L1116-S1120 PolarHBondContact O-OG 2.8Å
1117V56.7Low53.8Low89 Ų89115 Ų11554%0.53962%0.618SS.*Hα-helixtrans-66.3-47.4170.7169.30000109.5K1113 L1119 S1120 G1121K1113-V1117 WeakPolarHBondContact O-CB 3.27Å; K1113-V1117 VanDerWaalsContact O-CG2 3.31Å; K1113-V1117 WeakPolarHBondContact O-CG2 3.39Å; K1113-V1117 PolarHBondContact O-N 3.1Å; V1117-L1119 VanDerWaalsContact C-N 3.26Å; V1117-L1119 PolarHBondContact O-N 3.02Å; V1117-S1120 WeakPolarHBondContact CA-OG 3.48Å; V1117-S1120 PolarHBondContact O-N 3.41Å; V1117-S1120 VanDerWaalsContact O-N 3.09Å; V1117-S1120 PolarHBondContact O-OG 3.5Å; V1117-G1121 PolarHBondContact O-N 3Å
1118T52.3Low51.6Low101 Ų101114 Ų11462%0.6262%0.62SS**Hα-helixtrans-59.2-36.1175.4-54.10000112.3E1114 W1115E1114-T1118 WeakPolarHBondContact O-CB 3.46Å; E1114-T1118 PolarHBondContact O-N 2.83Å; E1114-T1118 PolarHBondContact O-OG1 3.38Å; W1115-T1118 PolarHBondContact O-N 3.18Å
1119L41.5Very low49.7Very low95 Ų95114 Ų11450%0.49763%0.626SS.*Hα-helixtrans-80.2-22.4175.6-76.9173.2000114.7W1115 L1116 V1117W1115-L1119 HydrophobicContact CD2-CD1 4.1Å; W1115-L1119 HydrophobicContact CG-CD1 4.46Å; W1115-L1119 HydrophobicContact CH2-CD1 4.47Å; W1115-L1119 HydrophobicContact CZ2-CD1 3.74Å; W1115-L1119 WeakPolarHBondContact O-CB 3.43Å; W1115-L1119 WeakPolarHBondContact O-CG 3.44Å; W1115-L1119 PolarHBondContact O-N 2.93Å; L1116-L1119 PolarHBondContact O-N 3.45Å; V1117-L1119 VanDerWaalsContact C-N 3.26Å; V1117-L1119 PolarHBondContact O-N 3.02Å
1120S49.9Very low47.5Very low86 Ų86116.1 Ų116.160%0.60164%0.642SS**Hα-helixtrans-91.7-12.6178.851.10000114L1116 V1117 L1122L1116-S1120 VanDerWaalsContact O-CB 3.32Å; L1116-S1120 WeakPolarHBondContact O-CB 3.4Å; L1116-S1120 PolarHBondContact O-N 3.45Å; L1116-S1120 PolarHBondContact O-OG 2.8Å; V1117-S1120 WeakPolarHBondContact CA-OG 3.48Å; V1117-S1120 PolarHBondContact O-N 3.41Å; V1117-S1120 VanDerWaalsContact O-N 3.09Å; V1117-S1120 PolarHBondContact O-OG 3.5Å; S1120-L1122 PolarHBondContact O-N 2.89Å
1121G41.2Very low45.3Very low67 Ų67119.1 Ų119.169%0.69166%0.658SS**SBendtrans-64.9-15.716600000114.6V1117V1117-G1121 PolarHBondContact O-N 3Å
1122L38.3Very low43.5Very low140 Ų140121.3 Ų121.373%0.73367%0.669SS**SBendtrans-103.947.2-175.4-79.5168.5000114S1120S1120-L1122 PolarHBondContact O-N 2.89Å
1123N34.4Very low41.8Very low147 Ų147125 Ų12579%0.78670%0.698SS**SBendtrans-169.291.6160.9-99.5-52.2000113.1
1124N35.1Very low40Very low177 Ų177125.4 Ų125.495%0.94771%0.714SS**  trans-172.8146.6154.9-100.3-45.4000112.4
1125G33.8Very low39Very low69 Ų69125 Ų12571%0.71172%0.722SS**  trans79.686.6171.500000115.4
1126K36.2Very low38.2Very low200 Ų200122.6 Ų122.687%0.8773%0.729SS**  63.296.279.5-67.9-168.8174.1-176.40116.9
1127L29.6Very low37.5Very low155 Ų155122.8 Ų122.881%0.81274%0.739SS**  48.6109.1111.4-172.383.8000118.9
1128L34.5Very low36.4Very low147 Ų147123.8 Ų123.877%0.7775%0.75SS**  trans172.6108.2136.6-91.5163000106.1
1129Q34.2Very low35.4Very low159 Ų159126.6 Ų126.674%0.74376%0.761SS**  89.1150.675.9-88.9-164.5-13.800114.7
1130T32.6Very low35.1Very low124 Ų124127.9 Ų127.976%0.76178%0.778SS**  trans67.6125.4-172.872.70000115.1
1131N31.1Very low34.2Very low153 Ų153127.5 Ų127.582%0.81879%0.788SS**  cis107.710016.2-70.20.5000112.9
1132S33.9Very low33.8Very low115 Ų115130.4 Ų130.480%0.80479%0.792SS**  trans-173.2125.8136.437.90000114.2
1133S35.2Very low33.4Very low115 Ų115131.5 Ų131.580%0.80479%0.793SS**  trans34.1113.4147.754.50000122.9
1134S30.3Very low33.3Very low114 Ų114133.5 Ų133.580%0.79780%0.795SS**  trans-66.7-172.1144.2-14.60000112.2
1135P37.7Very low33Very low115 Ų115132.2 Ų132.275%0.74778%0.783SS**  cis-137.9-173.5-16.435.7-15.4000115.3
1136S33.4Very low32.8Very low105 Ų105138.7 Ų138.773%0.73479%0.788SS**  trans100.7152.7136.181.60000122.6
1137S35.5Very low32.6Very low105 Ų105135.9 Ų135.973%0.73478%0.781SS**  trans88.7114.916073.10000121.4
1138S33.7Very low32.7Very low110 Ų110132.9 Ų132.977%0.76977%0.774SS**  trans55.7114.5140.250.30000123.1
1139N31Very low32.5Very low160 Ų160135.1 Ų135.186%0.85678%0.78SS**  trans-24.1132.4149.2-51.6-12.2000116.6
1140S35.1Very low32.6Very low123 Ų123133 Ų13386%0.8678%0.778SS**  -176.7154.1102.239.30000110.1
1141G31Very low32.7Very low78 Ų78132.9 Ų132.980%0.80478%0.777SS**  trans-86141.7-172.800000113.5
1142V32.5Very low33Very low127 Ų127131 Ų13177%0.7777%0.767SS**  trans-126.5131.5155.5177.40000108F1144V1142-F1144 HydrophobicContact CG1-CD2 4.28Å; V1142-F1144 HydrophobicContact CG1-CE2 4.08Å
1143E30.1Very low33Very low164 Ų164131.6 Ų131.677%0.76676%0.761SS**  trans-71.6129.9178.7176.7175.8-140.200111
1144F31.8Very low33.1Very low189 Ų189133.3 Ų133.383%0.82975%0.754SS**  trans-132.3100.9166.2-92.9-83.2000110.3V1142V1142-F1144 HydrophobicContact CG1-CD2 4.28Å; V1142-F1144 HydrophobicContact CG1-CE2 4.08Å
1145H29.8Very low33.2Very low149 Ų149135 Ų13569%0.6975%0.75SS**  trans-55.2140.5147.4-81.7-105.2000109
1146Y30Very low33.2Very low206 Ų206137 Ų13781%0.80875%0.752SS**  -174.6145118-114.3-128.9000112.1
1147L32.3Very low33.2Very low140 Ų140137.8 Ų137.873%0.73375%0.748SS**  trans22.5138.7154-49.7179.9000121.1
1148S31Very low32.8Very low93 Ų93145.2 Ų145.265%0.6576%0.76SS**  cis92.196.728.7-175.50000115.9
1149E30.8Very low32.5Very low194 Ų194143.8 Ų143.891%0.90775%0.75SS**  trans-135.3128.5158.1-69.9177.5143.800104.7
1150V35.5Very low32.5Very low114 Ų114144.8 Ų144.869%0.69175%0.75SS**  cis63.29822.8-162.70000110.5
1151T35.6Very low32.4Very low121 Ų121145.3 Ų145.374%0.74275%0.748SS**  -156.3171.880.338.90000111.5
1152D36.5Very low32.4Very low115 Ų115152.6 Ų152.662%0.61575%0.751SS**  cis-156.9150.43.4-124.4-2.7000111.9
1153N35.3Very low32.2Very low127 Ų127151.3 Ų151.368%0.67975%0.748SS**  trans46.5146.7140-59.6-34.6000121.9
1154K35.6Very low32.4Very low150 Ų150149.9 Ų149.965%0.65275%0.746SS**  cis-168.6151.519.9-138.8166.6168.2-103.60111
1155E33.3Very low32.2Very low151 Ų151145.9 Ų145.971%0.70674%0.741SS**  trans59.7149.3151.7-78.7150.4-176.700118.3
1156I38.4Very low32.2Very low155 Ų155144.3 Ų144.380%0.79575%0.747SS**  cis-133.7132.38.9-66.5-177.5000111.9
1157N32.4Very low32.3Very low123 Ų123138.9 Ų138.966%0.65874%0.739SS**  trans35.1141145.6-148.422.8000125.1S1159N1157-S1159 PolarHBondContact ND2-OG 3.3Å
1158W26.4Very low32.3Very low260 Ų260139.5 Ų139.599%0.98574%0.742SS**  trans-129.7104.4162.3-98.587.1000110.3
1159S28.1Very low32.5Very low80 Ų80144.8 Ų144.856%0.55975%0.748SS**  trans-176.4137.1172.959.90000106.7N1157N1157-S1159 PolarHBondContact ND2-OG 3.3Å
1160E31.6Very low32.4Very low182 Ų182139.5 Ų139.585%0.8573%0.732SS**  cis-137.4176.512.5-61.517989.700107.8
1161T33.3Very low32.3Very low133 Ų133142 Ų14282%0.81673%0.734SS**  cis-140.6167.626.5450000113.6
1162R29.3Very low32Very low232 Ų232143.4 Ų143.488%0.87573%0.732SS**  trans-103.6-177.3169-88.6171.8146.1-174.4-6.4110.3
1163S29.8Very low31.9Very low100 Ų100144.6 Ų144.670%0.69974%0.737SS**  trans93.3124.8167.3-55.50000114.7
1164D33Very low31.7Very low134 Ų134142.2 Ų142.272%0.71773%0.73SS**  cis-135.6145.3-8.3-89.1-58.5000110.7
1165S28.2Very low31.4Very low105 Ų105142.5 Ų142.573%0.73474%0.737SS**  cis69.6523552.10000118.5
1166S30.8Very low31.3Very low116 Ų116139.6 Ų139.681%0.81173%0.734SS**  trans-158151.2144.561.10000111.9
1167S30.8Very low31Very low92 Ų92141.5 Ų141.564%0.64374%0.736SS**  cis-166.1122.4-17152.50000110.7
1168L33Very low31Very low153 Ų153141 Ų14180%0.80174%0.742SS**  trans57.3145143.4-52.1175.8000118.8
1169R34.1Very low31.3Very low203 Ų203133.1 Ų133.177%0.76673%0.725SS**  cis-159.5126.723.7-150171.1-169.8179.55.2112.4
1170S29.2Very low31.5Very low83 Ų83136.3 Ų136.358%0.5873%0.731SS**  trans-71150.2163175.10000111.8Q1172S1170-Q1172 WeakPolarHBondContact OG-CB 3.47Å; S1170-Q1172 PolarHBondContact OG-OE1 2.98Å
1171K34.5Very low31.6Very low168 Ų168131.3 Ų131.373%0.7371%0.713SS**  trans-177.8107.5153.6-103169.1-176.8-167.90107
1172Q29Very low31.5Very low149 Ų149129.8 Ų129.870%0.69670%0.696SS**  cis67.484.318.3-159.6-173.922.700115.4S1170S1170-Q1172 WeakPolarHBondContact OG-CB 3.47Å; S1170-Q1172 PolarHBondContact OG-OE1 2.98Å
1173I33.1Very low31.6Very low140 Ų140125.1 Ų125.172%0.71868%0.684SS**  trans-140.9115.1142.7-69.9100.4000103.5
1174S30.9Very low31.6Very low77 Ų77124.2 Ų124.254%0.53867%0.671SS.*  cis83.8152.331.7-51.40000114.5
1175I30.9Very low31.4Very low157 Ų157123.7 Ų123.781%0.80566%0.662SS**  trans80.7124.5170.9-51.5162.7000112.7
1176S29.7Very low31.4Very low90 Ų90121 Ų12163%0.62964%0.644SS**  cis-158.4146.16.1440000114.9
1177K32.4Very low31.6Very low195 Ų195118.5 Ų118.585%0.84863%0.626SS**  40.3128.6130-46.7177.4179.7-175.60118.5
1178S32.4Very low31.5Very low112 Ų112119.8 Ų119.878%0.78363%0.632SS**  59.1147.950.1-146.40000113.5
1179P34.2Very low31.4Very low95 Ų95116.2 Ų116.262%0.61761%0.611SS**  cis-135.81665.836.3-15000117.9
1180E32.3Very low31.2Very low146 Ų146112 Ų11268%0.68261%0.609SS**  trans62.7112.1132.5-67.5171.7142.400126.5
1181T31.9Very low31Very low78 Ų78112.8 Ų112.848%0.47961%0.606SS.*  85.3148.5116.564.80000124.4K1608 S1609T1181-K1608 CarbonylContact O-C 3.36Å; T1181-S1609 PolarHBondContact O-N 2.83Å
1182H31.5Very low30.6Very low101 Ų101106.7 Ų106.747%0.46859%0.585SS.*  trans91.2148.1148-78.3-75.4000121.6S1609 T1610 N1611H1182-S1609 WeakPolarHBondContact CB-O 3.35Å; H1182-T1610 WeakPolarHBondContact CB-O 3.46Å; H1182-T1610 VanDerWaalsContact CD2-CA 3.47Å; H1182-T1610 WeakPolarHBondContact CD2-CA 3.39Å; H1182-T1610 PolarHBondContact CD2-N 3.47Å; H1182-T1610 PolarHBondContact ND1-O 3.24Å; H1182-N1611 VanDerWaalsContact CE1-C 3.41Å; H1182-N1611 PolarHBondContact CE1-N 3.24Å; H1182-N1611 VanDerWaalsContact CE1-N 3.35Å; H1182-N1611 PolarHBondContact CE1-O 2.83Å; H1182-N1611 VanDerWaalsContact CE1-O 3.24Å; H1182-N1611 PolarHBondContact ND1-O 3.45Å; H1182-N1611 PolarHBondContact NE2-N 3.48Å
1183E32.7Very low30.5Very low133 Ų133104.1 Ų104.162%0.62158%0.581SS**  trans57.3138.4170.8-58-172.9-174.800121.7
1184I30Very low30.2Very low82 Ų82103.4 Ų103.442%0.42158%0.578SS.*  cis162.1161-26.3-97.9151.5000108.9V1612 T1613I1184-V1612 VanDerWaalsContact CD1-O 3.27Å; I1184-V1612 WeakPolarHBondContact CD1-O 3.1Å; I1184-T1613 WeakPolarHBondContact CD1-O 3.49Å; I1184-T1613 VanDerWaalsContact CG1-O 3.31Å; I1184-T1613 WeakPolarHBondContact CG1-O 3.34Å; I1184-T1613 WeakPolarHBondContact CG2-O 3.37Å
1185F27.7Very low30.3Very low122 Ų122104.4 Ų104.454%0.53559%0.585SS.*  trans66.490.1166.9-84.1-62.8000123.2N1614 L1615F1185-N1614 HydrophobicContact CE1-CB 4.37Å; F1185-N1614 HydrophobicContact CE2-CB 3.81Å; F1185-N1614 HydrophobicContact CZ-CB 3.57Å; F1185-L1615 HydrophobicContact CD1-CB 3.86Å; F1185-L1615 HydrophobicContact CD1-CD2 4.42Å; F1185-L1615 HydrophobicContact CE1-CB 3.71Å; F1185-L1615 HydrophobicContact CE1-CD1 3.81Å; F1185-L1615 HydrophobicContact CE1-CD2 3.94Å; F1185-L1615 HydrophobicContact CE1-CG 3.99Å; F1185-L1615 HydrophobicContact CZ-CB 4.47Å; F1185-L1615 HydrophobicContact CZ-CD1 4.13Å
1186S28.8Very low30.5Very low50 Ų50103.2 Ų103.235%0.3558%0.578SS.*  30.2114.5129.3-46.10000125.5S1616S1186-S1616 PolarHBondContact OG-O 3.4Å
1187S33.9Very low30.4Very low63 Ų63103.9 Ų103.944%0.44157%0.573SS.*  58.8137.9128.3-178.90000123.7
1188P30.1Very low30.1Very low119 Ų119101.8 Ų101.877%0.77356%0.561SS**  -115.9-176.2129.637.2-33.7000114.5
1189Q29.9Very low30Very low77 Ų7798.9 Ų98.936%0.3654%0.54SS..  trans-117.4154-176.7174-158.1-9.800109R1201Q1189-R1201 HydrophobicContact CB-CG 4.37Å; Q1189-R1201 VanDerWaalsContact CB-CZ 3.43Å; Q1189-R1201 VanDerWaalsContact CD-CB 3.42Å; Q1189-R1201 HydrophobicContact CG-CB 4.02Å; Q1189-R1201 HydrophobicContact CG-CG 4.19Å
1190T29.4Very low29.9Very low116 Ų11698.9 Ų98.971%0.71255%0.548SS*.  trans-178.3145.3134.930.30000110.7
1191N26.6Very low30Very low98 Ų9898 Ų9852%0.52454%0.539SS..  trans43.3128.3147.6-55.1-11.5000120Y1198 S1199N1191-Y1198 HydrophobicContact CB-CD1 3.8Å; N1191-Y1198 HydrophobicContact CB-CE1 3.99Å; N1191-S1199 VanDerWaalsContact C-OG 3.29Å; N1191-S1199 WeakPolarHBondContact CA-OG 3.28Å; N1191-S1199 PolarHBondContact N-OG 3.44Å
1192S24.3Very low30Very low41 Ų4199.1 Ų99.129%0.28754%0.537SS..  cis-140.3-112.912.3-61.10000111.2Y1198 S1199S1192-Y1198 WeakPolarHBondContact OG-CD1 3.44Å; S1192-Y1198 WeakPolarHBondContact OG-CE1 3.47Å; S1192-Y1198 VanDerWaalsContact OG-CZ 3.27Å; S1192-S1199 VanDerWaalsContact C-OG 3.26Å; S1192-S1199 WeakPolarHBondContact CA-OG 3.41Å; S1192-S1199 PolarHBondContact N-OG 2.7Å; S1192-S1199 VanDerWaalsContact N-OG 3.16Å; S1192-S1199 PolarHBondContact O-OG 3.4Å
1193P28.2Very low30.3Very low94 Ų94103.8 Ų103.861%0.6156%0.556SS**  -109.7164.4-66.141.7-33.5000113.5S1195 I1197P1193-S1195 WeakPolarHBondContact CB-O 3.18Å; P1193-I1197 CarbonylContact C-O 3.43Å; P1193-I1197 WeakPolarHBondContact CA-O 3.11Å
1194L26.5Very low30.4Very low125 Ų125101.9 Ų101.965%0.65456%0.555SS**SBendtrans-87.3-44.8-168.3117.5135.5000118M1196 I1197L1194-M1196 HydrophobicContact CD2-SD 3.79Å; L1194-M1196 VanDerWaalsContact N-N 3.1Å; L1194-I1197 HydrophobicContact CB-CG2 4.29Å; L1194-I1197 WeakPolarHBondContact CB-O 2.99Å; L1194-I1197 HydrophobicContact CD2-CB 3.66Å; L1194-I1197 HydrophobicContact CD2-CG2 3.62Å; L1194-I1197 HydrophobicContact CG-CG2 4.42Å; L1194-I1197 PolarHBondContact N-O 2.78Å
1195S31.9Very low30.9Very low98 Ų98105.8 Ų105.869%0.68558%0.576SS**SBendcis49-102.2-14.3-44.80000121P1193P1193-S1195 WeakPolarHBondContact CB-O 3.18Å
1196M35.1Very low31.5Very low133 Ų133104.3 Ų104.366%0.65558%0.579SS**SBendtrans-130-21.2-159.464.6-81.3-70.900122.6L1194 Y1198L1194-M1196 HydrophobicContact CD2-SD 3.79Å; L1194-M1196 VanDerWaalsContact N-N 3.1Å; M1196-Y1198 VanDerWaalsContact O-CE2 3.31Å; M1196-Y1198 WeakPolarHBondContact O-CE2 3.32Å
1197I27.7Very low31.6Very low103 Ų103112.3 Ų112.353%0.52860%0.601SS.*  cis129.778.62.3-36.9168.6000106.5P1193 L1194P1193-I1197 CarbonylContact C-O 3.43Å; P1193-I1197 WeakPolarHBondContact CA-O 3.11Å; L1194-I1197 HydrophobicContact CB-CG2 4.29Å; L1194-I1197 WeakPolarHBondContact CB-O 2.99Å; L1194-I1197 HydrophobicContact CD2-CB 3.66Å; L1194-I1197 HydrophobicContact CD2-CG2 3.62Å; L1194-I1197 HydrophobicContact CG-CG2 4.42Å; L1194-I1197 PolarHBondContact N-O 2.78Å
1198Y26.8Very low31.6Very low152 Ų152116.7 Ų116.760%0.59662%0.619SS**  trans-76.5170.5-144.4-76.5-125.4000115.5N1191 S1192 M1196N1191-Y1198 HydrophobicContact CB-CD1 3.8Å; N1191-Y1198 HydrophobicContact CB-CE1 3.99Å; S1192-Y1198 WeakPolarHBondContact OG-CD1 3.44Å; S1192-Y1198 WeakPolarHBondContact OG-CE1 3.47Å; S1192-Y1198 VanDerWaalsContact OG-CZ 3.27Å; M1196-Y1198 VanDerWaalsContact O-CE2 3.31Å; M1196-Y1198 WeakPolarHBondContact O-CE2 3.32Å
1199S31.4Very low31.8Very low50 Ų50119.3 Ų119.335%0.3562%0.621SS.*  trans-84.8178.1-163.2-43.80000118.1N1191 S1192N1191-S1199 VanDerWaalsContact C-OG 3.29Å; N1191-S1199 WeakPolarHBondContact CA-OG 3.28Å; N1191-S1199 PolarHBondContact N-OG 3.44Å; S1192-S1199 VanDerWaalsContact C-OG 3.26Å; S1192-S1199 WeakPolarHBondContact CA-OG 3.41Å; S1192-S1199 PolarHBondContact N-OG 2.7Å; S1192-S1199 VanDerWaalsContact N-OG 3.16Å; S1192-S1199 PolarHBondContact O-OG 3.4Å
1200A32.3Very low32.2Very low95 Ų95123.6 Ų123.679%0.78564%0.641SS**  trans-150.5-179.2155.200000114.7
1201R33.4Very low32.2Very low127 Ų127122.2 Ų122.248%0.47964%0.641SS.*  trans-137.9157.8-162.5-171.6-153.5-138148.4-15.7113.3Q1189Q1189-R1201 HydrophobicContact CB-CG 4.37Å; Q1189-R1201 VanDerWaalsContact CB-CZ 3.43Å; Q1189-R1201 VanDerWaalsContact CD-CB 3.42Å; Q1189-R1201 HydrophobicContact CG-CB 4.02Å; Q1189-R1201 HydrophobicContact CG-CG 4.19Å
1202F32.4Very low32.6Very low102 Ų102124 Ų12445%0.44766%0.656SS.*  trans-8.6148.5157.8-62.9-128.4000119V1617 N1618F1202-V1617 HydrophobicContact CE1-CB 4.44Å; F1202-V1617 HydrophobicContact CE1-CG1 4.17Å; F1202-V1617 HydrophobicContact CE1-CG2 3.95Å; F1202-V1617 HydrophobicContact CZ-CB 4.08Å; F1202-V1617 HydrophobicContact CZ-CG1 4.14Å; F1202-V1617 HydrophobicContact CZ-CG2 3.8Å; F1202-N1618 WeakPolarHBondContact CE2-ND2 3.44Å; F1202-N1618 VanDerWaalsContact CZ-ND2 3.32Å; F1202-N1618 WeakPolarHBondContact CZ-ND2 3.32Å
1203K37.2Very low32.9Very low200 Ų200125.6 Ų125.687%0.8767%0.667SS**  -166163.695-96.9-169.3176.3-1770113.5
1204P35.2Very low33.2Very low93 Ų93125.3 Ų125.360%0.60466%0.657SS**  trans-137.8171.1-154.444.6-28.1000117.9
1205L39.6Very low33.4Very low164 Ų164124.5 Ų124.586%0.85965%0.65SS**  trans63.9177.4156.8-70.9167000115.7
1206P40.3Very low33.4Very low90 Ų90124.4 Ų124.458%0.58465%0.65SS**  cis-133-170.7-0.837.4-17.2000115.8
1207R31.9Very low33Very low219 Ų219124.5 Ų124.583%0.82665%0.651SS**  trans83.3135.3165.2-59.7-178.6177.196.72.9116.4
1208L33.9Very low33.2Very low155 Ų155127.7 Ų127.781%0.81266%0.664SS**  cis94.185.222.8-163.6169.4000112.9
1209E33.9Very low33.1Very low174 Ų174126.6 Ų126.681%0.81367%0.673SS**  trans-159.9163.7167.4-110.3143.2-128.100108.7
1210E38.5Very low33.2Very low167 Ų167129.8 Ų129.878%0.7869%0.69SS**  trans45.5111.1166.7-56.7-173.5147.800118.6
1211A30.2Very low33.2Very low86 Ų86131.1 Ų131.171%0.71168%0.68SS**  cis77.5142.438.800000115.5
1212T33.2Very low33.1Very low137 Ų137128.5 Ų128.584%0.8468%0.678SS**  trans60.9154.2173.153.30000118
1213S31.6Very low33.1Very low74 Ų74128.3 Ų128.352%0.51768%0.681SS.*  cis-179.9140.4-38.9510000107.9
1214E34.1Very low32.9Very low87 Ų87121.3 Ų121.341%0.40766%0.657SS.*  trans67.3150168.5-57.4159.1173.100113R1880 L1884E1214-R1880 IonicContact OE1-CZ 2.77Å; E1214-R1880 IonicContact OE1-NE 3.16Å; E1214-R1880 PolarHBondContact OE1-NE 3.29Å; E1214-R1880 IonicContact OE1-NH2 3.24Å; E1214-R1880 PolarHBondContact OE1-NH2 3.22Å; E1214-R1880 IonicContact OE2-CZ 3.47Å; E1214-R1880 IonicContact OE2-NE 3.21Å; E1214-R1880 PolarHBondContact OE2-NE 2.97Å; E1214-R1880 IonicContact OE2-NH2 3.45Å; E1214-R1880 PolarHBondContact OE2-NH2 3.31Å; E1214-L1884 WeakPolarHBondContact OE1-CD1 3.26Å
1215E31.6Very low32.8Very low109 Ų109121.3 Ų121.351%0.50965%0.652SS.*  cis-161.1162-0.3-131.5-173-120.600111.4R1887E1215-R1887 VanDerWaalsContact CG-CZ 3.42Å; E1215-R1887 VanDerWaalsContact CG-NH1 3.32Å; E1215-R1887 IonicContact OE1-CZ 3.37Å; E1215-R1887 IonicContact OE1-NH1 3.33Å; E1215-R1887 PolarHBondContact OE1-NH1 3.35Å; E1215-R1887 IonicContact OE1-NH2 2.68Å; E1215-R1887 PolarHBondContact OE1-NH2 2.86Å; E1215-R1887 IonicContact OE2-CZ 3.51Å; E1215-R1887 IonicContact OE2-NH2 2.78Å; E1215-R1887 PolarHBondContact OE2-NH2 2.67Å
1216S31.4Very low32.3Very low96 Ų96120.9 Ų120.967%0.67164%0.644SS**  trans64.4132.3160.3-75.70000119
1217I26.7Very low31.8Very low134 Ų134122.9 Ų122.969%0.68765%0.649SS**  cis-155154-12.9-32.2173.5000106.6
1218H31.7Very low31.8Very low170 Ų170119.7 Ų119.779%0.78765%0.648SS**  trans150.7173.1134.1-75.8-33.2000115
1219T25.7Very low31.5Very low130 Ų130119.8 Ų119.880%0.79865%0.649SS**  trans-64.2174.4-179.6440000114
1220V31.9Very low31.2Very low117 Ų117116.5 Ų116.571%0.70965%0.645SS**  trans123.196.3153177.90000115.9
1221Q32.9Very low30.9Very low122 Ų122115.5 Ų115.557%0.5765%0.645SS**  61.8122.4126.6-172.7-16171.300120.2I1223 K1650Q1221-I1223 HydrophobicContact CG-CD1 3.9Å; Q1221-I1223 HydrophobicContact CG-CG1 3.89Å; Q1221-K1650 WeakPolarHBondContact O-CE 3.39Å; Q1221-K1650 PolarHBondContact O-NZ 3.23Å
1222V31.6Very low31Very low72 Ų72117 Ų11744%0.43665%0.646SS.*  trans-123144.2154.7-169.60000109K1650 L1651 P1653V1222-K1650 HydrophobicContact CG1-CB 3.92Å; V1222-K1650 HydrophobicContact CG1-CD 4.09Å; V1222-K1650 HydrophobicContact CG1-CG 3.95Å; V1222-K1650 HydrophobicContact CG2-CG 4.36Å; V1222-L1651 VanDerWaalsContact CG1-O 3.24Å; V1222-L1651 WeakPolarHBondContact CG1-O 3.29Å; V1222-P1653 HydrophobicContact CB-CG 4.04Å; V1222-P1653 HydrophobicContact CG1-CG 3.75Å
1223I31.9Very low30.8Very low98 Ų98117 Ų11750%0.50365%0.648SS.*  trans-121.6160.9-167.5-78.4167.5000110.1Q1221 P1653Q1221-I1223 HydrophobicContact CG-CD1 3.9Å; Q1221-I1223 HydrophobicContact CG-CG1 3.89Å; I1223-P1653 WeakPolarHBondContact O-CD 3.36Å
1224S33.6Very low30.9Very low53 Ų53118.6 Ų118.637%0.37166%0.659SS.*  trans64.8112.716558.60000117.9P1653S1224-P1653 VanDerWaalsContact O-CD 3.3Å; S1224-P1653 WeakPolarHBondContact O-CD 3.29Å
1225D32.3Very low30.9Very low93 Ų93119.3 Ų119.350%0.49767%0.674SS.*  -96.1160.5112.4-138.2-25.2000109.4N1652 F1654D1225-N1652 PolarHBondContact OD1-ND2 3.24Å; D1225-N1652 VanDerWaalsContact OD1-ND2 3.16Å; D1225-N1652 PolarHBondContact OD2-ND2 2.97Å; D1225-N1652 PolarHBondContact OD2-OD1 3.29Å; D1225-F1654 HydrophobicContact CB-CB 3.85Å; D1225-F1654 HydrophobicContact CB-CG 4.45Å; D1225-F1654 WeakPolarHBondContact OD2-CB 3.38Å
1226F29.8Very low30.8Very low156 Ų156122.6 Ų122.668%0.68468%0.682SS**  trans-107.6146.6-171.3-94.6-99.3000113.3
1227N30.5Very low30.7Very low132 Ų132121.1 Ų121.171%0.70667%0.669SS**  trans56.6101.1155.2-56-20000118.2
1228N30.3Very low30.9Very low151 Ų151121.6 Ų121.681%0.80767%0.673SS**  -165.5116.8106.3-92.3-30.1000112.9
1229L29.2Very low30.9Very low157 Ų157118 Ų11882%0.82267%0.667SS**  trans27.2113.5141.3-62.2162.5000119.8
1230S27.8Very low31.4Very low105 Ų105123.1 Ų123.173%0.73467%0.672SS**  trans63.7148.7154.179.20000117.9
1231N30.6Very low31.4Very low147 Ų147126.9 Ų126.979%0.78668%0.678SS**  cis-129.4168.118.6-73-67.3000113.9
1232T31.9Very low31.2Very low118 Ų118126.7 Ų126.772%0.72469%0.691SS**  trans-79.9132.6178.644.90000113.9
1233P29.4Very low31.2Very low137 Ų137127.7 Ų127.789%0.8970%0.701SS**  trans-93.388.2162.434.1-28.7000110.4
1234S34.5Very low31.3Very low106 Ų106130.3 Ų130.374%0.74171%0.711SS**  trans-95.9142.5174.452.90000112
1235S34.1Very low31.3Very low103 Ų103137.4 Ų137.472%0.7274%0.736SS**  trans-75.4133.1-175.656.30000114.3
1236W28.7Very low31.5Very low177 Ų177136 Ų13667%0.6774%0.743SS**  trans54.1136.4131.5-74.855.9000121.6K1321W1236-K1321 HydrophobicContact CE3-CD 4.07Å; W1236-K1321 VanDerWaalsContact CE3-CE 3.44Å; W1236-K1321 HydrophobicContact CH2-CD 3.92Å; W1236-K1321 HydrophobicContact CZ3-CD 3.48Å; W1236-K1321 VanDerWaalsContact CZ3-CD 3.48Å; W1236-K1321 HydrophobicContact CZ3-CG 4.12Å
1237T30.7Very low31.5Very low65 Ų65136.3 Ų136.340%0.39975%0.752SS.*  trans66.696.9149.1500000119.4K1321T1237-K1321 HydrophobicContact CG2-CG 4.47Å
1238D31.1Very low31.6Very low145 Ų145138.1 Ų138.178%0.77576%0.761SS**  67.2142.1112.4-92.2-71.3000124.6
1239S30.5Very low31.6Very low95 Ų95135.2 Ų135.266%0.66475%0.752SS**  trans53.5100.2153.2-75.40000119.9
1240R35.5Very low31.7Very low237 Ų237133.1 Ų133.189%0.89474%0.742SS**  -169.9119.399.2-95.8154.6-162.5-119.52.1114.4
1241K32.8Very low31.8Very low195 Ų195138.3 Ų138.385%0.84875%0.747SS**  trans28.8139.7138.9-56.3-177.9179.6-178.10121.8
1242S28.6Very low31.7Very low119 Ų119134.8 Ų134.883%0.83273%0.734SS**  trans80.6140.9142.948.90000123.4
1243S32.7Very low31.7Very low93 Ų93135.5 Ų135.565%0.6574%0.738SS**  trans70.197.2161.6-85.40000123.1
1244E33.4Very low31.7Very low153 Ų153134.9 Ų134.972%0.71573%0.726SS**  77.4160.6118-70169.3126.200122.2
1245F33.2Very low31.6Very low202 Ų202137 Ų13789%0.88673%0.729SS**  trans64.7123.6-179.8-54.4-82.3000116.9
1246G35.8Very low31.5Very low64 Ų64136.7 Ų136.766%0.6673%0.727SS**  cis166.9148.4-900000113.5
1247N30.4Very low31.7Very low162 Ų162134.5 Ų134.587%0.86673%0.728SS**  trans46.2109.7158.1-59.5-22.2000119.7
1248L32.5Very low31.7Very low170 Ų170136.9 Ų136.989%0.8974%0.743SS**  170.795.6129-91.2168.3000107.5
1249S30.4Very low31.7Very low89 Ų89135.4 Ų135.462%0.62274%0.739SS**  72.685.961.7-155.80000113.7
1250N30.9Very low31.7Very low114 Ų114140.6 Ų140.661%0.6175%0.746SS**  146.2155115.7-71.1-22.9000115.7
1251Y29.9Very low31.7Very low214 Ų214135.9 Ų135.984%0.83974%0.735SS**  trans72.5144.5158.7-58.2-51.6000118
1252S29Very low32Very low73 Ų73131.7 Ų131.751%0.5173%0.728SS.*  cis-172140.1-15.7178.20000110.6I1254S1252-I1254 WeakPolarHBondContact OG-CD1 3.32Å
1253T31.9Very low32.4Very low133 Ų133133.8 Ų133.882%0.81673%0.73SS**  178.2125.612533.90000108
1254I29.5Very low32.4Very low123 Ų123138.4 Ų138.463%0.63174%0.738SS**  cis92.413441.2-68.3173.5000112.9S1252S1252-I1254 WeakPolarHBondContact OG-CD1 3.32Å
1255N31.7Very low32.5Very low150 Ų150136.6 Ų136.680%0.80274%0.743SS**  trans76.4151.2175-65.6-24.7000117.8
1256S31.6Very low32.7Very low97 Ų97134.8 Ų134.868%0.67874%0.741SS**  cis-177170-24.172.80000108.6
1257N32.9Very low32.4Very low131 Ų131141 Ų14170%0.70175%0.75SS**  cis-166.5162.9-2.6-138.4-22000111.6
1258T31.7Very low32.6Very low115 Ų115141 Ų14171%0.70675%0.751SS**  trans59.3161.4150.555.70000121
1259T31.4Very low32.5Very low115 Ų115135.7 Ų135.771%0.70674%0.736SS**  cis-170.6137-25.7-87.90000109.1
1260Y30.8Very low32.7Very low203 Ų203138.7 Ų138.780%0.79675%0.745SS**  trans-179.6153151.5-114-141.3000107
1261M35.3Very low32.6Very low138 Ų138138.7 Ų138.768%0.6875%0.75SS**  cis-148.7158.5-26.2-104.9-72.5-179.600107
1262P37.7Very low32.5Very low107 Ų107135.3 Ų135.370%0.69575%0.746SS**  trans-106159.6-167.439.2-32.9000114.7
1263D38.2Very low32.4Very low163 Ų163136.3 Ų136.387%0.87275%0.753SS**  trans-128.3162.6160-141.9-26.4000111.9
1264K32.1Very low32.3Very low190 Ų190139.5 Ų139.583%0.82676%0.756SS**  trans-120.8121.8-161.6-60.2167.7-173.4162.40113.3
1265S36.3Very low32.6Very low115 Ų115139.8 Ų139.880%0.80476%0.763SS**  trans-151.7149.515757.60000114.1
1266L37.1Very low32.6Very low164 Ų164140.3 Ų140.386%0.85976%0.76SS**  trans30.2117.1170.1-80.669.1000120.7
1267K30Very low32.5Very low194 Ų194141.9 Ų141.984%0.84376%0.761SS**  trans-73.4140.4142.8-62.1175.1178.6178.70109.6
1268N34.5Very low32.3Very low164 Ų164141.1 Ų141.188%0.87776%0.761SS**  trans176.8149.1132.1-85-13.6000106.7
1269G30.3Very low32.2Very low57 Ų57142.6 Ų142.659%0.58876%0.764SS**  cis120.71216.300000109.9
1270N33.3Very low32Very low152 Ų152143.6 Ų143.681%0.81377%0.765SS**  trans71.9120.7-175.4-52.5-1.8000112.2
1271T28.4Very low31.8Very low114 Ų114140 Ų14070%0.69976%0.76SS**  72.812356.369.20000114.7
1272D28.5Very low31.5Very low143 Ų143141.3 Ų141.377%0.76576%0.764SS**  trans74.9112.8152.5-51.2-28.6000121.6
1273S27.8Very low31.1Very low94 Ų94141.9 Ų141.966%0.65777%0.765SS**  trans87.4144.3132.176.10000120.9
1274F28.9Very low30.7Very low201 Ų201140.1 Ų140.188%0.88276%0.756SS**  trans63.6149.5-179.9-55.9-89.2000113.8
1275V35.1Very low30.7Very low128 Ų128136.4 Ų136.478%0.77675%0.754SS**  cis-140.9148.623.8165.60000110.2
1276H33Very low30.5Very low161 Ų161138 Ų13875%0.74575%0.748SS**  trans34.6132.4162.9-100.1-125.7000121.8
1277N28.2Very low30.3Very low130 Ų130137.8 Ų137.870%0.69574%0.742SS**  60.4121.362.1-98.8-8.3000116.7
1278V28.7Very low30.5Very low115 Ų115134.2 Ų134.270%0.69773%0.732SS**  trans86.8140.8134.3167.30000119.6
1279L31.4Very low30.5Very low146 Ų146131 Ų13176%0.76472%0.723SS**  trans72.8137-179.1-60.6159.7000114.8
1280N26.7Very low30.9Very low136 Ų136134.9 Ų134.973%0.72773%0.725SS**  cis83.8134.131.3-64.9-1.9000115.5
1281N26.3Very low31.2Very low129 Ų129136.3 Ų136.369%0.6973%0.727SS**  trans72.6146.3153.4-75.527.5000121.4
1282E28.1Very low31.7Very low164 Ų164138.5 Ų138.577%0.76673%0.734SS**  trans59.9130.7149.5-65.3161.789.100117.3
1283V30.4Very low32.3Very low119 Ų119137.8 Ų137.872%0.72173%0.731SS**  -168.5134.466.2159.70000110.8
1284N29.1Very low32.9Very low127 Ų127137.5 Ų137.568%0.67973%0.725SS**  trans28.7132148.2-49.1-16000120.6
1285S32.1Very low33.5Very low112 Ų112134.7 Ų134.778%0.78372%0.718SS**  176.1157.27548.50000111
1286H32.6Very low34.2Very low148 Ų148136 Ų13669%0.68571%0.713SS**  cis-166153.3-22.4-118.1-86000107.8
1287H31.9Very low35Very low159 Ų159135.7 Ų135.774%0.73671%0.712SS**  trans66.5141.3162.7-86.7-143.7000118.4
1288L34.9Very low35.6Very low119 Ų119135 Ų13562%0.62371%0.707SS**  cis-147.6155.5-13.4-79.6167.6000105.9
1289S35.3Very low36.6Very low98 Ų98137.1 Ų137.169%0.68571%0.714SS**  cis71.3140.642.2-43.20000113.4
1290E37.5Very low37.2Very low138 Ų138135 Ų13565%0.64570%0.704SS**  cis-124.2163.5-3.9-63.181.5-132.200109.6
1291E39.9Very low37.8Very low181 Ų181134.8 Ų134.885%0.84670%0.702SS**  cis88110.621.2-166166.8-93.700116.2
1292N39.5Very low38.2Very low160 Ų160135.8 Ų135.886%0.85671%0.707SS**  trans172.4156.5168.5-100-72.9000113.3
1293D40.4Very low38.7Very low128 Ų128133.1 Ų133.168%0.68470%0.703SS**  -152.7155.6-63.5-156.42.9000113I1295D1293-I1295 PolarHBondContact O-N 2.93Å
1294T40.8Very low38.7Very low89 Ų89135.2 Ų135.255%0.54671%0.71SS.*  trans-26.499.1163.6-46.60000117.5
1295I41.4Very low39.1Very low141 Ų141135.1 Ų135.172%0.72372%0.715SS**  trans-145.8129.9160.3-86.9113.2000110.6D1293D1293-I1295 PolarHBondContact O-N 2.93Å
1296K49.8Very low39.2Very low156 Ų156134.8 Ų134.868%0.67871%0.71SS**  trans58.983.1179.5-56.5174.5-175.7179.40115.9L1298K1296-L1298 HydrophobicContact CB-CB 4.31Å; K1296-L1298 HydrophobicContact CG-CB 4.25Å
1297Q50.2Low39.1Very low155 Ų155134 Ų13472%0.72471%0.709SS**  cis56.6-3.19.9-141.8-179.539.400117.2
1298L41.5Very low39.1Very low114 Ų114134.7 Ų134.760%0.59771%0.713SS**  trans-154.231.8-170.2-70.5176000112K1296K1296-L1298 HydrophobicContact CB-CB 4.31Å; K1296-L1298 HydrophobicContact CG-CB 4.25Å
1299L48.4Very low38.9Very low160 Ų160133.2 Ų133.284%0.83871%0.712SS**  trans-143.950159-70.9178.9000106.5
1300D44.7Very low38.8Very low101 Ų101135 Ų13554%0.5471%0.714SS.*  51.1124.763.3-93.6-3.1000113.2
1301N39.1Very low38.6Very low132 Ų132134 Ų13471%0.70671%0.713SS**  trans71.1102.5156-59.7-49.2000119.3
1302I33.9Very low38.4Very low151 Ų151130.9 Ų130.977%0.77470%0.703SS**  trans90131.5130.7-63.9167.7000116.5
1303P38.7Very low38.1Very low107 Ų107130 Ų13070%0.69569%0.693SS**  trans-92.4171-175.538.7-38.4000113.5
1304N31.8Very low37.7Very low163 Ų163129.2 Ų129.287%0.87269%0.688SS**  trans-170.3126.6141.4-92-35.8000112.2
1305T36.8Very low37.8Very low126 Ų126131.3 Ų131.377%0.77370%0.7SS**  trans-67.5155.815349.20000109.6
1306P34.3Very low37.7Very low104 Ų104129 Ų12968%0.67569%0.694SS**  -162.9-174.769.543.4-20.7000119.1
1307I30.3Very low37Very low132 Ų132123.5 Ų123.568%0.67768%0.675SS**  trans68.7104.7143.4-80.4159.5000116.7
1308E31.5Very low36.3Very low174 Ų174117.7 Ų117.781%0.81365%0.649SS**  93.5153.783.2-92.5172.4-154.600112.3
1309S31.2Very low36Very low87 Ų87113 Ų11361%0.60863%0.628SS**  cis-154.21579.654.70000112.5
1310N33.3Very low35.2Very low135 Ų135106.8 Ų106.872%0.72260%0.598SS**  trans62.8145.8144.8-64.29.3000120.4
1311N33.3Very low34.4Very low118 Ų118106.9 Ų106.963%0.63159%0.593SS**  cis-158.2149.4-4.9-109.50.6000111.2
1312N34.9Very low34Very low116 Ų116108.1 Ų108.162%0.6260%0.599SS**  trans44.2149.2138.6-59.441.8000122.1
1313E34.6Very low33.7Very low141 Ų141105.9 Ų105.966%0.65960%0.597SS**  cis-166.5150.1-18.7-113.2178.3134.200107.8
1314I31.7Very low33.1Very low112 Ų112106.3 Ų106.357%0.57460%0.602SS**  trans47115.3139.9-61164.5000117.5
1315V42.8Very low32.9Very low133 Ų133104.1 Ų104.181%0.80660%0.595SS**  36173.789.7-105.50000115.4
1316P39.8Very low32.5Very low92 Ų92103 Ų10360%0.59759%0.593SS**  cis-133.9-168.1-4.236.6-15.2000114.9
1317C33.6Very low32.3Very low40 Ų40104.8 Ų104.827%0.2760%0.596SS.*  trans87.3119133-88.90000118.6N241 A245 R246N241-C1317 CarbonylContact O-C 3.23Å; A245-C1317 HydrophobicContact CB-CB 4.15Å; A245-C1317 PolarHBondContact O-SG 3.04Å; A245-C1317 VanDerWaalsContact O-SG 3.4Å; R246-C1317 HydrophobicContact CB-CB 3.73Å; R246-C1317 VanDerWaalsContact N-CB 3.35Å
1318L36.9Very low32.3Very low33 Ų33103.7 Ų103.717%0.17360%0.597CS.*  trans146.30165.7-127-132.1000104N241 A242 I243 H244 A245 R246 E247N241-L1318 CarbonylContact C-O 3.54Å; N241-L1318 WeakPolarHBondContact CA-O 3.45Å; N241-L1318 CarbonylContact O-C 3.6Å; N241-L1318 PolarHBondContact O-N 3.13Å; A242-L1318 VanDerWaalsContact C-C 3.45Å; A242-L1318 VanDerWaalsContact CA-CA 3.43Å; A242-L1318 VanDerWaalsContact N-C 3.32Å; A242-L1318 PolarHBondContact N-O 2.72Å; A242-L1318 WeakPolarHBondContact O-CB 3.3Å; I243-L1318 HydrophobicContact CB-CD1 4.24Å; I243-L1318 HydrophobicContact CG1-CD1 4.16Å; I243-L1318 WeakPolarHBondContact O-CD1 3.47Å; I243-L1318 WeakPolarHBondContact O-CD2 3.49Å; I243-L1318 WeakPolarHBondContact O-CG 3.24Å; H244-L1318 CarbonylContact C-O 3.6Å; H244-L1318 WeakPolarHBondContact CA-O 3.46Å; A245-L1318 VanDerWaalsContact N-N 3.11Å; A245-L1318 PolarHBondContact N-O 2.73Å; R246-L1318 HydrophobicContact CB-CB 4.11Å; R246-L1318 HydrophobicContact CB-CD2 3.88Å; R246-L1318 HydrophobicContact CB-CG 3.86Å; R246-L1318 HydrophobicContact CG-CD2 4Å; R246-L1318 HydrophobicContact CG-CG 4.11Å; E247-L1318 HydrophobicContact CB-CD2 3.5Å; E247-L1318 VanDerWaalsContact CB-CD2 3.5Å; E247-L1318 HydrophobicContact CG-CD2 3.76Å
1319G34.5Very low32.1Very low15 Ų15101 Ų10116%0.15559%0.589CS.*BIsolated β-bridge0116.1000000126.1E240 I243 H244E240-G1319 WeakPolarHBondContact O-CA 3.33Å; E240-G1319 PolarHBondContact O-N 2.74Å; I243-G1319 VanDerWaalsContact C-C 3.42Å; I243-G1319 VanDerWaalsContact CB-CA 3.46Å; H244-G1319 VanDerWaalsContact CA-C 3.46Å; H244-G1319 VanDerWaalsContact CA-CA 3.45Å; H244-G1319 VanDerWaalsContact CB-CA 3.48Å; H244-G1319 WeakPolarHBondContact CB-O 3.06Å
1320S32.1Very low32.1Very low31 Ų31102.1 Ų102.122%0.21758%0.582CS.*PPolyproline II helixtrans-65.2157.1174.4-124.30000114.5I243 H244 E247 L1322I243-S1320 PolarHBondContact O-N 2.95Å; H244-S1320 PolarHBondContact CE1-OG 2.74Å; H244-S1320 WeakPolarHBondContact ND1-CA 3.48Å; H244-S1320 PolarHBondContact ND1-N 2.8Å; H244-S1320 PolarHBondContact ND1-OG 2.9Å; H244-S1320 VanDerWaalsContact ND1-OG 3.07Å; E247-S1320 WeakPolarHBondContact OE1-CB 3.23Å; E247-S1320 PolarHBondContact OE1-OG 2.84Å; E247-S1320 WeakPolarHBondContact OE2-CB 3.37Å; E247-S1320 PolarHBondContact OE2-OG 3.14Å; S1320-L1322 PolarHBondContact O-N 3.18Å
1321K28.3Very low32.1Very low102 Ų10297.6 Ų97.644%0.44356%0.558SS.*SBendtrans-47.4128.6169.9-64.6-174.2-171.4164.90109.9W1236 T1237W1236-K1321 HydrophobicContact CE3-CD 4.07Å; W1236-K1321 VanDerWaalsContact CE3-CE 3.44Å; W1236-K1321 HydrophobicContact CH2-CD 3.92Å; W1236-K1321 HydrophobicContact CZ3-CD 3.48Å; W1236-K1321 VanDerWaalsContact CZ3-CD 3.48Å; W1236-K1321 HydrophobicContact CZ3-CG 4.12Å; T1237-K1321 HydrophobicContact CG2-CG 4.47Å
1322L29.3Very low32.2Very low159 Ų15995 Ų9583%0.83254%0.544SS*.  179.792.5105.9-91.3169.2000109.6S1320S1320-L1322 PolarHBondContact O-N 3.18Å
1323S27.7Very low32.1Very low103 Ų10393.7 Ų93.772%0.7254%0.537SS*.  trans-149.886.6173.6-84.50000112.6
1324S27.3Very low32Very low116 Ų11689.1 Ų89.181%0.81153%0.527SS*.  trans-157131157.856.50000107.7
1325T27.6Very low31.9Very low118 Ų11889 Ų8972%0.72453%0.532SS*.SBendcis-137.2154.11849.10000112.7
1326S28.3Very low31.4Very low102 Ų10288.5 Ų88.571%0.71353%0.529SS*.  trans53.3133.7150.956.40000119.5
1327L28.8Very low31.1Very low142 Ų14290.9 Ų90.974%0.74354%0.537SS*.  cis-161.21336.8-121.7164.4000108.4
1328P30.1Very low30.9Very low109 Ų10994 Ų9471%0.70855%0.554SS**  trans-108.1100.7160.533.5-23.6000110.1
1329D28.3Very low30.6Very low118 Ų11899.8 Ų99.863%0.63158%0.581SS**  trans-55.1159.2147.3-73.6-58.3000109K229K229-D1329 VanDerWaalsContact CD-O 3.29Å; K229-D1329 WeakPolarHBondContact CD-O 3.27Å; K229-D1329 WeakPolarHBondContact CE-O 3.44Å
1330K31.5Very low30.4Very low110 Ų110105 Ų10548%0.47860%0.601SS.*  -172.3179.960.2-70.1167.956.3166.50108.4K229K229-K1330 HydrophobicContact CD-CB 4.07Å
1331L31.8Very low30.2Very low40 Ų40111.4 Ų111.421%0.20963%0.625CS.*  trans85.3150151.6-43.4159.3000117.5Q221 I225 S226 K229Q221-L1331 HydrophobicContact CB-CD2 3.59Å; Q221-L1331 HydrophobicContact CG-CD2 4.24Å; I225-L1331 HydrophobicContact CB-CD1 3.67Å; I225-L1331 HydrophobicContact CB-CD2 4.33Å; I225-L1331 HydrophobicContact CB-CG 4.49Å; I225-L1331 HydrophobicContact CG2-CD1 3.45Å; I225-L1331 VanDerWaalsContact CG2-CD1 3.45Å; I225-L1331 HydrophobicContact CG2-CD2 4.31Å; I225-L1331 WeakPolarHBondContact O-CD1 3.05Å; S226-L1331 VanDerWaalsContact CB-CB 3.41Å; S226-L1331 WeakPolarHBondContact CB-O 3.13Å; S226-L1331 VanDerWaalsContact OG-C 3.28Å; S226-L1331 PolarHBondContact OG-O 2.88Å; K229-L1331 HydrophobicContact CB-CD1 4.12Å; K229-L1331 HydrophobicContact CD-CD1 3.69Å; K229-L1331 HydrophobicContact CD-CG 4.41Å; K229-L1331 HydrophobicContact CG-CD1 3.83Å
1332D36.1Very low30.4Very low64 Ų64112.2 Ų112.234%0.34263%0.634SS.*  cis-178.8-174.9-14.1-85.7-31.4000111.3Q221 S222 A223Q221-D1332 WeakPolarHBondContact CA-OD1 3.5Å; Q221-D1332 VanDerWaalsContact CA-OD2 3.28Å; Q221-D1332 WeakPolarHBondContact CA-OD2 3.37Å; Q221-D1332 VanDerWaalsContact CB-OD1 3.3Å; Q221-D1332 WeakPolarHBondContact CB-OD1 3.36Å; Q221-D1332 WeakPolarHBondContact CB-OD2 3.32Å; Q221-D1332 PolarHBondContact N-OD1 3.29Å; Q221-D1332 VanDerWaalsContact O-CG 3.25Å; S222-D1332 VanDerWaalsContact C-OD2 3.29Å; S222-D1332 VanDerWaalsContact N-CG 3.27Å; S222-D1332 PolarHBondContact N-OD2 2.97Å; S222-D1332 VanDerWaalsContact O-OD2 3.07Å; A223-D1332 HydrophobicContact CB-CB 4.17Å; A223-D1332 VanDerWaalsContact N-CB 3.28Å
1333D33.8Very low30.7Very low88 Ų88108.2 Ų108.247%0.47161%0.613SS.*  -153.5156.665.5-166.140.2000115.3S222 A223 T1335S222-D1333 WeakPolarHBondContact CA-OD1 3.23Å; S222-D1333 WeakPolarHBondContact CB-OD1 3.33Å; S222-D1333 PolarHBondContact OG-OD1 3.39Å; A223-D1333 HydrophobicContact CB-CB 3.45Å; A223-D1333 VanDerWaalsContact CB-CB 3.45Å; A223-D1333 PolarHBondContact N-OD1 3.42Å; D1333-T1335 PolarHBondContact OD2-OG1 2.91Å
1334G30.8Very low30.9Very low44 Ų44108.1 Ų108.145%0.45460%0.6SS.*  123.4149.7110.100000119.3
1335T31.4Very low31.1Very low111 Ų111106 Ų10668%0.68158%0.578SS**  cis-163.4125.9-9.4-39.70000110.7D1333D1333-T1335 PolarHBondContact OD2-OG1 2.91Å
1336V32.2Very low31.3Very low122 Ų122107.2 Ų107.274%0.73958%0.579SS**  trans70.5157.9145.8160.50000123.4
1337N32.4Very low31.3Very low142 Ų142106.6 Ų106.676%0.75958%0.575SS**  trans96145.7160.9-81.9-10.9000120.5
1338V30.6Very low31.3Very low104 Ų104105.8 Ų105.863%0.6358%0.58SS**  cis-172161-26.882.10000111.6
1339Q30.4Very low31.2Very low156 Ų156104.9 Ų104.973%0.72958%0.581SS**  trans65167.2161.2-78.7-178-70.500119.1
1340E29Very low31.6Very low123 Ų123105.4 Ų105.458%0.57559%0.589SS**  cis-174.3136-40.7-115.7-178.7161.400108.8
1341F29.7Very low31.9Very low166 Ų166105.4 Ų105.473%0.72860%0.601SS**  trans59167.8161.2-57.1-56.2000117.6
1342D31Very low31.7Very low120 Ų120109.3 Ų109.364%0.64263%0.625SS**  cis-156.4135.7-19.8-118.1-7.9000110.3
1343L35.7Very low31.3Very low74 Ų74112.5 Ų112.539%0.38764%0.643SS.*  trans27.7131135.8-51.6165.8000121.1D427 E428D427-L1343 WeakPolarHBondContact OD2-CA 3.47Å; E428-L1343 HydrophobicContact CG-CB 4.14Å; E428-L1343 HydrophobicContact CG-CD2 3.72Å; E428-L1343 HydrophobicContact CG-CG 4.47Å
1344K32.2Very low31.1Very low102 Ų102113.9 Ų113.944%0.44365%0.65SS.*  151.5141.7129.8-98.664.5-169.3156.70112.1K426 D427 E428K426-K1344 WeakPolarHBondContact CB-O 3.31Å; K426-K1344 VanDerWaalsContact CD-O 3.26Å; K426-K1344 WeakPolarHBondContact CD-O 3.35Å; K426-K1344 WeakPolarHBondContact CG-O 3.43Å; D427-K1344 PolarHBondContact OD2-N 3.27Å; E428-K1344 IonicContact OE1-NZ 2.73Å; E428-K1344 PolarHBondContact OE1-NZ 3.28Å; E428-K1344 WeakPolarHBondContact OE2-CD 3.47Å; E428-K1344 WeakPolarHBondContact OE2-CE 3.42Å; E428-K1344 WeakPolarHBondContact OE2-CG 3.35Å; E428-K1344 IonicContact OE2-NZ 3.89Å; E428-K1344 PolarHBondContact OE2-NZ 2.86Å; E428-K1344 VanDerWaalsContact OE2-NZ 3.13Å
1345I31.4Very low30.9Very low70 Ų70117.9 Ų117.936%0.35966%0.657SS.*  cis-179145.1-14.7-172.7170.8000111.2D427 E428 L429D427-I1345 CarbonylContact O-C 3.49Å; D427-I1345 VanDerWaalsContact O-CA 3.27Å; D427-I1345 WeakPolarHBondContact O-CA 3.41Å; E428-I1345 HydrophobicContact CB-CB 4.04Å; E428-I1345 HydrophobicContact CB-CD1 4.26Å; E428-I1345 HydrophobicContact CB-CG1 3.75Å; L429-I1345 HydrophobicContact CD1-CD1 3.79Å; L429-I1345 HydrophobicContact CG-CD1 3.97Å
1346I31.3Very low30.7Very low144 Ų144121.6 Ų121.674%0.73866%0.659SS**  trans73.6157.3156.8-91160.1000117.9D427D427-I1346 PolarHBondContact O-N 2.95Å
1347S29Very low30.6Very low89 Ų89121.5 Ų121.562%0.62265%0.654SS**  cis177.2152.4-30.4-174.70000110.9
1348C29.1Very low30.5Very low125 Ų125121.5 Ų121.585%0.84565%0.654SS**  trans65.3154.6162.3-81.90000118.7
1349A28.4Very low30.6Very low90 Ų90122.3 Ų122.374%0.74466%0.659SS**  cis-155.8175.1-2.500000112.8
1350T35.6Very low30.7Very low129 Ų129120.4 Ų120.479%0.79166%0.658SS**  trans-59.9-179.4168.454.50000114.5
1351P38.3Very low30.9Very low111 Ų111118.6 Ų118.672%0.72166%0.664SS**  cis-139.1-161.9-0.8217.6000114.9
1352V27.5Very low30.9Very low121 Ų121115.1 Ų115.173%0.73366%0.66SS**  trans100.9113.1146.2-174.90000119.9
1353N28.1Very low31.1Very low131 Ų131117.6 Ų117.670%0.70167%0.668SS**  trans42.4140.3144.3-7943.5000125.7
1354D28.9Very low31Very low118 Ų118119.9 Ų119.963%0.63169%0.685SS**  trans84.8126.7130.3-83.4-49.4000122.5
1355Q27.9Very low31Very low128 Ų128122.4 Ų122.460%0.59870%0.703SS**  trans76.9109.7137.3-72.317764.600121.4
1356R27.4Very low31.1Very low189 Ų189124.5 Ų124.571%0.71372%0.718SS**  85.1115.5118.4-74.3175.2167.8159-12.2119.7
1357N30.1Very low31.2Very low120 Ų120124.6 Ų124.664%0.64272%0.719SS**  80.8127.2120.4-64.49.8000119.9
1358N30.2Very low31.5Very low142 Ų142127 Ų12776%0.75972%0.723SS**  trans74.8153.2131-68.315.9000116.7
1359V31.7Very low31.7Very low121 Ų121128 Ų12873%0.73372%0.721SS**  cis164.4161.85135.80000102.9
1360T32Very low32Very low115 Ų115127.8 Ų127.871%0.70672%0.719SS**  cis177155.3-24.5-70.10000105.8
1361A33.5Very low32Very low86 Ų86129.7 Ų129.771%0.71172%0.722SS**  trans65.4167.2158.300000118.6
1362S30.5Very low31.9Very low92 Ų92129.2 Ų129.264%0.64372%0.721SS**  cis-165.1155.1-30.1-96.90000110.3
1363E35Very low32.3Very low172 Ų172128.3 Ų128.380%0.80472%0.72SS**  trans21.6143.5139.7-53.4161.9109.400122
1364T32.4Very low32.7Very low122 Ų122128.3 Ų128.375%0.74872%0.72SS**  149.8115119.6-62.50000115.2
1365L32.3Very low33Very low155 Ų155130.9 Ų130.981%0.81273%0.726SS**  trans27.7155.3135.3-83.183000123.2
1366V34.6Very low33.4Very low114 Ų114132.4 Ų132.469%0.69174%0.736SS**  cis-179169-9.362.70000114.1
1367I33.4Very low34.3Very low147 Ų147127.7 Ų127.775%0.75473%0.73SS**  trans72.5141.4158.121.2168.6000127.3
1368I34.1Very low34.5Very low138 Ų138128.3 Ų128.371%0.70873%0.734SS**  trans118.7114.1143.5-49.3-158.4000119.6
1369N34.7Very low34.6Very low148 Ų148128.8 Ų128.879%0.79173%0.731SS**  trans1.6161.7145.7-38.9-19.2000120.6
1370A34.1Very low34.5Very low85 Ų85128.7 Ų128.770%0.70273%0.727SS**  cis-176.1154.332.600000116.6
1371I34.6Very low34.5Very low169 Ų169130.2 Ų130.287%0.86773%0.73SS**  trans53.3133.1150.57.6174.7000126.5
1372S36.9Very low34.2Very low100 Ų100131.1 Ų131.170%0.69973%0.731SS**  101.7107.4127.3-164.80000123.7
1373S35.3Very low34.2Very low102 Ų102134.4 Ų134.471%0.71374%0.736SS**  trans33128133.5-45.20000123.8
1374D37Very low33.9Very low131 Ų131132.1 Ų132.170%0.70173%0.729SS**  176.7148104.9-113.7-4.6000117.4
1375K36.4Very low33.7Very low172 Ų172132.2 Ų132.275%0.74874%0.735SS**  trans65.2113.8145.8-65.9-177.9179.987.90125.7
1376I35.4Very low34Very low160 Ų160135.5 Ų135.582%0.82174%0.737SS**  trans-36.9175.8133.930.7165.4000117.2
1377P46.2Very low33.9Very low90 Ų90135.5 Ų135.558%0.58474%0.739SS**  cis-140.7-154.57.126.42.5000115.7
1378D33.4Very low33.7Very low134 Ų134132.1 Ų132.172%0.71773%0.728SS**  trans80.5148150.9-58-23.9000119.5
1379E32.9Very low33.9Very low151 Ų151130.5 Ų130.571%0.70673%0.729SS**  cis-157.9150-10.5-126.7-162.3-144.700113.6
1380N30.3Very low34.2Very low120 Ų120127.8 Ų127.864%0.64272%0.72SS**  trans51.6141.6137.2-84.9-30.5000127.5
1381L31.2Very low34.2Very low146 Ų146128.1 Ų128.176%0.76472%0.723SS**  trans79.8125.5138.8-72.6165.2000124.2
1382S28.6Very low34.3Very low105 Ų105126.9 Ų126.973%0.73471%0.713SS**  trans69.6153.1142.472.20000118.8
1383E29.9Very low34.3Very low161 Ų161124.3 Ų124.375%0.75270%0.703SS**  cis-158.1162.6-3.2-128.1179.9-141.500110.8
1384N28Very low34.3Very low124 Ų124123.7 Ų123.766%0.66370%0.704SS**  trans29.4119.1151.9-55.6-39.9000119.6
1385S28.3Very low34.3Very low125 Ų125124 Ų12487%0.87471%0.71SS**  179.616273.3-650000114.4
1386R37.9Very low34.3Very low224 Ų224120.6 Ų120.685%0.84571%0.708SS**  trans-130.3146.1173.7-151.8-165.6-178.1-172.82108.7
1387P32.8Very low34.4Very low113 Ų113118.4 Ų118.473%0.73469%0.692SS**  -148.7158.388.726.6-2.7000114.3
1388S30Very low33.7Very low76 Ų76120.7 Ų120.753%0.53169%0.693SS.*  8393.955.4-47.40000118.2
1389S37.6Very low33.9Very low104 Ų104119.2 Ų119.273%0.72769%0.694SS**  trans43.8174.9135.5-123.20000122.6P929P929-S1389 WeakPolarHBondContact CB-O 3.19Å
1390P40.8Very low34.2Very low92 Ų92118.4 Ų118.460%0.59770%0.701SS**  cis-141.8-167.4-2.745-25.7000117.4
1391A35.7Very low34.3Very low92 Ų92117.6 Ų117.676%0.7671%0.705SS**  trans82135.1153.600000120.1
1392E35.4Very low34.4Very low142 Ų142120.8 Ų120.866%0.66471%0.709SS**  cis-132.6-121.8-1.7-142.8-49.968.800113.5K204 A1394K204-E1392 VanDerWaalsContact NZ-C 3.34Å; K204-E1392 PolarHBondContact NZ-O 3.48Å; K204-E1392 IonicContact NZ-OE1 3.94Å; K204-E1392 PolarHBondContact NZ-OE1 3.44Å; K204-E1392 IonicContact NZ-OE2 4Å; E1392-A1394 PolarHBondContact OE2-N 3.42Å
1393G36.6Very low34.8Very low47 Ų47123.9 Ų123.949%0.48571%0.711SS.*  cis-124.4-176.1-14.500000113.7K204K204-G1393 WeakPolarHBondContact CE-O 3.45Å; K204-G1393 PolarHBondContact NZ-O 3.49Å
1394A35.7Very low35Very low88 Ų88123.4 Ų123.473%0.72771%0.709SS**  trans-93.9162.2178.500000112.4E1392E1392-A1394 PolarHBondContact OE2-N 3.42Å
1395V36.8Very low35.3Very low138 Ų138124.1 Ų124.184%0.83671%0.713SS**  -162.6176.152.9171.10000108.4
1396S36.2Very low35.5Very low101 Ų101123.6 Ų123.671%0.70670%0.704SS**  cis168.6147.9-47.4-154.50000108.6
1397K37.2Very low35.3Very low113 Ų113121.6 Ų121.649%0.49170%0.701SS.*  cis-176.8162-23.1-100.9-147.2175.8-103.60108.3S203S203-K1397 WeakPolarHBondContact OG-CE 3.46Å; S203-K1397 PolarHBondContact OG-NZ 2.85Å; S203-K1397 VanDerWaalsContact OG-NZ 3.11Å
1398F33.5Very low35Very low138 Ų138125 Ų12561%0.60571%0.705SS**  cis-169.4158.7-18-132.2-132.7000109.7V205V205-F1398 HydrophobicContact CG2-CE2 3.67Å; V205-F1398 HydrophobicContact CG2-CZ 4.1Å
1399S36.9Very low35Very low103 Ų103127.8 Ų127.872%0.7271%0.714SS**  trans-94.4169.2158.9-55.20000110.9
1400P38.5Very low34.6Very low134 Ų134128.4 Ų128.487%0.8771%0.713SS**  -159-159.2105.642.4-21.7000115.6
1401S33.5Very low34Very low103 Ų103128.1 Ų128.172%0.7271%0.714SS**  trans-133.6168.2-16755.90000115.6
1402Y33Very low33.8Very low214 Ų214131 Ų13184%0.83972%0.716SS**  trans20.2128.7160.6-74.5-81.3000122.5
1403H36.8Very low33.7Very low170 Ų170130 Ų13079%0.78773%0.725SS**  -173118.9109.4-109.2-77.4000116.2
1404Q34.7Very low33.7Very low150 Ų150134.5 Ų134.570%0.70174%0.737SS**  trans9.6123.6140.8-173.4175.511.900121.8
1405N34.6Very low33.6Very low140 Ų140137 Ų13775%0.74975%0.746SS**  -175.2121.5122.8-98.9-32.3000117.3
1406V31.5Very low33.4Very low114 Ų114133.7 Ų133.769%0.69173%0.729SS**  trans72.2129.9134.1179.20000123
1407K33.4Very low33.2Very low181 Ų181135.4 Ų135.479%0.78774%0.735SS**  trans77112.7157.6-83.4167-175.8176.60121.5
1408F27.1Very low32.8Very low184 Ų184138 Ų13881%0.80775%0.746SS**  24127.6120.2-68-84.1000117.3
1409N30.1Very low33Very low135 Ų135137.2 Ų137.272%0.72275%0.752SS**  -170.6151.556.5-115.6-14.8000115.1
1410V29Very low32.8Very low117 Ų117140.6 Ų140.671%0.70976%0.757SS**  trans63.397.9136.1178.80000120.9
1411S28.6Very low32.6Very low87 Ų87139 Ų13961%0.60875%0.749SS**  74.7122.7127.280.40000124.4
1412N30.9Very low32.3Very low152 Ų152143.4 Ų143.481%0.81376%0.76SS**  54.8123.4120.8-51.8-1.2000121.7
1413S33.5Very low32.3Very low122 Ų122140.6 Ų140.685%0.85376%0.76SS**  -151.4151.311850.30000111.4
1414L37Very low32.2Very low141 Ų141135.4 Ų135.474%0.73875%0.752SS**  trans-103.1-178.4-176-67150.4000110.5
1415P32.6Very low32Very low139 Ų139134.4 Ų134.490%0.90376%0.76SS**  -110.3121.5117.530.3-33000110.7
1416S32Very low32Very low69 Ų69132.8 Ų132.848%0.48375%0.748SS.*  trans-122.6136.4174.7177.20000109.4F1418S1416-F1418 WeakPolarHBondContact O-CD2 3.26Å
1417V32.6Very low32Very low137 Ų137136 Ų13683%0.8375%0.753SS**  trans-122.297.6165.6179.90000103.3
1418F29.9Very low32Very low168 Ų168134 Ų13474%0.73774%0.741SS**  50.7122.985.5-71.7-68.9000110.5S1416S1416-F1418 WeakPolarHBondContact O-CD2 3.26Å
1419V36.6Very low32.2Very low121 Ų121132.7 Ų132.773%0.73374%0.738SS**  cis-142.817017.7-155.80000105.2
1420E33.5Very low32.3Very low175 Ų175135.5 Ų135.582%0.81874%0.738SS**  cis-161.9175.638-164.4136.7-119.100113.2
1421S33.4Very low32.3Very low101 Ų101136.5 Ų136.571%0.70674%0.735SS**  trans-67.2147.9-166.8530000116.7
1422M27.5Very low32.3Very low194 Ų194138.1 Ų138.196%0.95674%0.742SS**  trans-94100.1157.3-179.5176.169.400109.8
1423D34.2Very low32.4Very low156 Ų156138.5 Ų138.583%0.83474%0.739SS**  trans-155.9152168.6-147.4-17.2000111.8
1424G34.3Very low32.1Very low60 Ų60139.4 Ų139.462%0.61974%0.739SS**  trans78.1116-174.400000114
1425C30.7Very low31.8Very low129 Ų129137.3 Ų137.387%0.87273%0.732SS**  52.310268.7-660000115.3
1426E33.8Very low31.6Very low106 Ų106138.6 Ų138.650%0.49573%0.726SS.*  -162.3159.6105.8-108.6176.5-168.600113.6G1481 G1482 L1483E1426-G1481 WeakPolarHBondContact OE2-CA 3.32Å; E1426-G1482 VanDerWaalsContact CD-N 3.3Å; E1426-G1482 PolarHBondContact OE1-N 3.24Å; E1426-G1482 PolarHBondContact OE2-N 2.83Å; E1426-L1483 WeakPolarHBondContact OE1-CA 3.34Å; E1426-L1483 PolarHBondContact OE1-N 3.42Å
1427K32.5Very low31.4Very low182 Ų182145 Ų14579%0.79174%0.741SS**  trans-89.8139.8179.5-55.7168-176.2170.20109.5
1428Y32Very low31.1Very low138 Ų138143 Ų14354%0.54173%0.733SS.*  trans-134.4106.9145.3-104.6-75.2000112.4G1480 G1481Y1428-G1480 VanDerWaalsContact CE2-C 3.46Å; Y1428-G1480 PolarHBondContact OH-O 3.28Å; Y1428-G1481 PolarHBondContact OH-O 2.92Å
1429Q31.2Very low31.1Very low157 Ų157140.4 Ų140.473%0.73474%0.736SS**  trans-101.8105.7175.4-179.9-179.8100108.8Q1431Q1429-Q1431 HydrophobicContact CG-CG 4.44Å
1430R32.2Very low30.8Very low194 Ų194140.8 Ų140.873%0.73273%0.733SS**  trans-120.7103.5150.2-86.4-176.7-90.9-134.1-2.9106.7
1431Q30.2Very low30.8Very low138 Ų138136.1 Ų136.165%0.64571%0.714SS**  68.313367.6-68.5-179.6-25.400112Q1429Q1429-Q1431 HydrophobicContact CG-CG 4.44Å
1432T28.4Very low30.7Very low122 Ų122137.7 Ų137.775%0.74872%0.715SS**  trans63139.1158.746.70000116.9
1433E32.5Very low31Very low159 Ų159135.6 Ų135.674%0.74371%0.706SS**  cis-145.613218.1-146.5158.6-135.600113V1435E1433-V1435 HydrophobicContact CB-CG2 4.07Å; E1433-V1435 HydrophobicContact CG-CG2 3.79Å; E1433-V1435 PolarHBondContact O-N 3.5Å
1434T27.8Very low30.9Very low142 Ų142134.7 Ų134.787%0.87170%0.695SS**  trans-84.596.4166.7-54.90000108.2
1435V30Very low30.6Very low96 Ų96137 Ų13758%0.58270%0.697SS**  trans-105.4103.3175.1-1760000110.8E1433 Y1437E1433-V1435 HydrophobicContact CB-CG2 4.07Å; E1433-V1435 HydrophobicContact CG-CG2 3.79Å; E1433-V1435 PolarHBondContact O-N 3.5Å; V1435-Y1437 HydrophobicContact CG1-CD2 4.14Å; V1435-Y1437 PolarHBondContact O-N 2.87Å
1436H28.1Very low30.6Very low166 Ų166139.8 Ų139.877%0.76970%0.695SS**  trans-8789.8172.1-143.8-73.6000109
1437Y27.5Very low30.4Very low204 Ų204142.3 Ų142.380%0.871%0.71SS**  trans-154.3116.5162.1-75.5-64.2000107.7V1435V1435-Y1437 HydrophobicContact CG1-CD2 4.14Å; V1435-Y1437 PolarHBondContact O-N 2.87Å
1438S27.5Very low30.5Very low94 Ų94140.3 Ų140.366%0.65770%0.704SS**  66.7106.372.7-64.10000113.9
1439S29.1Very low30.5Very low115 Ų115138.9 Ų138.980%0.80471%0.71SS**  trans62.2142.8164.569.50000116.3
1440D29.4Very low30.5Very low128 Ų128138 Ų13868%0.68471%0.71SS**  cis-164.5170.615.6-148.622.5000112.3
1441N34.6Very low30.6Very low77 Ų77135.9 Ų135.941%0.41271%0.708SS.*  trans70.185.1156-68.5-61.3000122.2
1442N31.9Very low30.7Very low135 Ų135134.5 Ų134.572%0.72272%0.72SS**  82.7142.4111.2-83.1-59.9000122.6
1443L32Very low31Very low149 Ų149130.3 Ų130.378%0.7870%0.696SS**  trans72.1135171.3-59167.2000115.2
1444K33.3Very low30.9Very low138 Ų138129.4 Ų129.460%0.670%0.695SS**  cis-154.1151.2-3-155.4-166.4171.2-165.20109.2D277D277-K1444 IonicContact OD1-NZ 2.69Å
1445T28.4Very low31.2Very low107 Ų107127.3 Ų127.366%0.65668%0.683SS**  trans-1.8113.8161.553.50000118.5
1446F30Very low31.4Very low189 Ų189129.3 Ų129.383%0.82969%0.69SS**  trans-143.498.9134.9-109.7-77.4000109.6Q1448F1446-Q1448 PolarHBondContact O-N 2.97Å
1447I30.3Very low31.9Very low158 Ų158126.5 Ų126.581%0.8169%0.689SS**  trans-8595.8161.5-62.6173.5000104.9T1449I1447-T1449 HydrophobicContact CG2-CG2 4.28Å
1448Q34.2Very low32.5Very low140 Ų140123.3 Ų123.365%0.65469%0.685SS**  trans-103.890.1167.6-166.7163.5-9.900108.5F1446 N1450F1446-Q1448 PolarHBondContact O-N 2.97Å; Q1448-N1450 PolarHBondContact O-N 3.45Å; Q1448-N1450 VanDerWaalsContact O-N 3.09Å
1449T30.8Very low33.5Very low109 Ų109122.7 Ų122.767%0.66967%0.674SS**  trans-62.3102.5159.543.50000107.4I1447 E1451I1447-T1449 HydrophobicContact CG2-CG2 4.28Å; T1449-E1451 PolarHBondContact O-N 3.32Å
1450N32.9Very low34.1Very low139 Ų139121.1 Ų121.174%0.74366%0.663SS**  trans-65.5110.3176.1-86.81.5000109.4Q1448 A1452Q1448-N1450 PolarHBondContact O-N 3.45Å; Q1448-N1450 VanDerWaalsContact O-N 3.09Å; N1450-A1452 PolarHBondContact O-N 2.92Å
1451E34.6Very low34.5Very low149 Ų149122.2 Ų122.270%0.69666%0.662SS**  trans-67.2122.8174.5-58.4-170.5154.800109.5T1449 S1453T1449-E1451 PolarHBondContact O-N 3.32Å; E1451-S1453 PolarHBondContact O-N 2.93Å
1452A30.4Very low35.1Very low108 Ų108124.3 Ų124.389%0.89367%0.669SS**SBendtrans-7467.8168.300000110.3N1450N1450-A1452 PolarHBondContact O-N 2.92Å
1453S35Very low35.6Very low35 Ų35126.9 Ų126.925%0.24567%0.669CS.*SBendtrans-154.7118.9166.761.50000114.2K262 E1451K262-S1453 VanDerWaalsContact NZ-CB 3.26Å; K262-S1453 PolarHBondContact NZ-OG 2.6Å; E1451-S1453 PolarHBondContact O-N 2.93Å
1454L31.1Very low36.2Very low139 Ų139126.4 Ų126.473%0.72866%0.662SS**SBendtrans63.357.3151.8-64.8165.4000117.6
1455T34.5Very low36.9Very low98 Ų98126.5 Ų126.560%0.60167%0.665SS**  trans-136.7-26.9158.545.70000115.5S1457 L1458 L1459T1455-S1457 VanDerWaalsContact C-N 3.27Å; T1455-S1457 PolarHBondContact O-N 2.76Å; T1455-S1457 VanDerWaalsContact O-N 3.1Å; T1455-L1458 PolarHBondContact O-N 3.18Å; T1455-L1459 PolarHBondContact O-N 2.81Å
1456D33.8Very low37.6Very low139 Ų139126.3 Ų126.374%0.74366%0.664SS**THydrogen-bonded Turntrans-63.2-21.3-170.5-72.8-40.6000116
1457S38.9Very low38.1Very low107 Ų107127.4 Ų127.475%0.74866%0.662SS**THydrogen-bonded Turntrans-79-13.3175.1-57.30000114.6T1455T1455-S1457 VanDerWaalsContact C-N 3.27Å; T1455-S1457 PolarHBondContact O-N 2.76Å; T1455-S1457 VanDerWaalsContact O-N 3.1Å
1458L40.7Very low38.4Very low136 Ų136124.5 Ų124.571%0.71266%0.655SS**THydrogen-bonded Turntrans-96.8-38.4175.6-73.4171.3000112T1455 S1460 F1461 E1462T1455-L1458 PolarHBondContact O-N 3.18Å; L1458-S1460 PolarHBondContact O-N 3.4Å; L1458-S1460 VanDerWaalsContact O-N 3.14Å; L1458-F1461 PolarHBondContact O-N 3.35Å; L1458-F1461 VanDerWaalsContact O-N 3.09Å; L1458-E1462 PolarHBondContact O-N 2.88Å; L1458-E1462 VanDerWaalsContact O-N 3.17Å
1459L47.2Very low38.5Very low82 Ų82124.6 Ų124.643%0.42966%0.66SS.*THydrogen-bonded Turntrans-67.1-12.1174.1-128.475.1000113.6T1455 R1463T1455-L1459 PolarHBondContact O-N 2.81Å; L1459-R1463 WeakPolarHBondContact O-CB 3.34Å; L1459-R1463 WeakPolarHBondContact O-CD 3.44Å; L1459-R1463 VanDerWaalsContact O-CG 3.25Å; L1459-R1463 WeakPolarHBondContact O-CG 3.37Å; L1459-R1463 PolarHBondContact O-N 2.78Å
1460S42Very low38.8Very low81 Ų81126.3 Ų126.357%0.56666%0.664SS**THydrogen-bonded Turntrans-77.8-38.5170.9-1650000112.5L1458 H1464L1458-S1460 PolarHBondContact O-N 3.4Å; L1458-S1460 VanDerWaalsContact O-N 3.14Å; S1460-H1464 PolarHBondContact O-N 3.14Å
1461F37.3Very low38.8Very low151 Ų151127.8 Ų127.866%0.66267%0.671SS**THydrogen-bonded Turntrans-70.7-46.8175.1-107.4-94.7000111.5L1458 R1463 H1464 E1465L1458-F1461 PolarHBondContact O-N 3.35Å; L1458-F1461 VanDerWaalsContact O-N 3.09Å; F1461-R1463 PolarHBondContact O-N 2.87Å; F1461-R1463 VanDerWaalsContact O-N 3.11Å; F1461-H1464 PolarHBondContact O-N 3.36Å; F1461-E1465 PolarHBondContact O-N 3.31Å; F1461-E1465 VanDerWaalsContact O-N 3.14Å
1462E48Very low38.8Very low122 Ų122125.1 Ų125.157%0.5767%0.669SS**Hα-helixtrans-63.4-20.2179.1-163.2171.2-167.400112.6L1458 V1466L1458-E1462 PolarHBondContact O-N 2.88Å; L1458-E1462 VanDerWaalsContact O-N 3.17Å; E1462-V1466 WeakPolarHBondContact O-CB 3.46Å; E1462-V1466 WeakPolarHBondContact O-CG2 3.38Å
1463R42.8Very low38.8Very low188 Ų188127.9 Ų127.971%0.70967%0.669SS**Hα-helixtrans-90.5-7.8171.6-74.6-179.7177.6-171.51.7114.9L1459 F1461L1459-R1463 WeakPolarHBondContact O-CB 3.34Å; L1459-R1463 WeakPolarHBondContact O-CD 3.44Å; L1459-R1463 VanDerWaalsContact O-CG 3.25Å; L1459-R1463 WeakPolarHBondContact O-CG 3.37Å; L1459-R1463 PolarHBondContact O-N 2.78Å; F1461-R1463 PolarHBondContact O-N 2.87Å; F1461-R1463 VanDerWaalsContact O-N 3.11Å
1464H44.5Very low38.6Very low139 Ų139132.4 Ų132.464%0.64470%0.701SS**Hα-helixtrans-90.9-45170.6-162.6-24.7000111.5S1460 F1461 R1467S1460-H1464 PolarHBondContact O-N 3.14Å; F1461-H1464 PolarHBondContact O-N 3.36Å; H1464-R1467 PolarHBondContact O-N 3.32Å
1465E47.7Very low38.7Very low140 Ų140129.5 Ų129.565%0.65470%0.704SS**Hα-helixtrans-66.1-45.6179.4-74.3179.7117.200112.1F1461 R1467 C1468F1461-E1465 PolarHBondContact O-N 3.31Å; F1461-E1465 VanDerWaalsContact O-N 3.14Å; E1465-R1467 PolarHBondContact O-N 3.19Å; E1465-C1468 PolarHBondContact O-N 2.78Å
1466V42.4Very low38.6Very low104 Ų104131.7 Ų131.763%0.6372%0.717SS**THydrogen-bonded Turntrans-64.2-8-179.6175.50000113.4E1462E1462-V1466 WeakPolarHBondContact O-CB 3.46Å; E1462-V1466 WeakPolarHBondContact O-CG2 3.38Å
1467R40.1Very low38.6Very low211 Ų211131.6 Ų131.680%0.79673%0.726SS**THydrogen-bonded Turntrans-91.1-9.1179.2-155167.6-173.3168.81.5114.6H1464 E1465H1464-R1467 PolarHBondContact O-N 3.32Å; E1465-R1467 PolarHBondContact O-N 3.19Å
1468C37.9Very low38.4Very low97 Ų97131.2 Ų131.266%0.65573%0.73SS**THydrogen-bonded Turntrans-94.1-31.8-177.3-68.40000114.5E1465E1465-C1468 PolarHBondContact O-N 2.78Å
1469D36.5Very low38.1Very low143 Ų143128.7 Ų128.777%0.76573%0.728SS**SBendtrans-99.9-11-164.3-73.3-27.5000116.7
1470L36.4Very low37.5Very low144 Ų144127.3 Ų127.375%0.75473%0.734SS**  trans-127.234-169.6-72.2176.4000116S1472L1470-S1472 VanDerWaalsContact C-N 3.27Å; L1470-S1472 PolarHBondContact O-N 2.79Å
1471L33.6Very low37.2Very low170 Ų170125.9 Ų125.989%0.8973%0.731SS**  trans-90.964156.7-87.1173.2000111.6
1472S33.1Very low37Very low94 Ų94121 Ų12166%0.65772%0.723SS**SBendtrans-145.3125.2160-81.80000109.5L1470L1470-S1472 VanDerWaalsContact C-N 3.27Å; L1470-S1472 PolarHBondContact O-N 2.79Å
1473N31.7Very low36.4Very low166 Ų166120.7 Ų120.789%0.88873%0.725SS**SBendtrans66.281.7172.5-51.8-49.4000118.2
1474S30.3Very low35.9Very low130 Ų130120.2 Ų120.291%0.90973%0.729SS**  -157.1147.7127.458.40000110.4
1475G33.4Very low35.2Very low77 Ų77117.6 Ų117.679%0.79473%0.726SS**  trans165.3-1.1-176.400000117.8C1477G1475-C1477 PolarHBondContact O-N 2.97Å
1476T32.7Very low34.5Very low145 Ų145119.2 Ų119.289%0.8973%0.733SS**  trans-76.1104.3176.922.90000112.7
1477C32.7Very low33.8Very low136 Ų136119.1 Ų119.192%0.91974%0.738SS**  trans-154147.5148.1-97.40000109.7G1475G1475-C1477 PolarHBondContact O-N 2.97Å
1478A34.9Very low33.6Very low100 Ų100114.1 Ų114.183%0.82673%0.732SS**  trans-118.1168.9-159.800000115.2
1479A35.7Very low33.3Very low83 Ų83116.1 Ų116.169%0.68674%0.736SS**  trans70.5118.6170.700000117.5
1480G33.6Very low33.1Very low53 Ų53113.6 Ų113.655%0.54673%0.726SS.*  cis125.1129.3-11.200000114.8Y1428Y1428-G1480 VanDerWaalsContact CE2-C 3.46Å; Y1428-G1480 PolarHBondContact OH-O 3.28Å
1481G35.1Very low32.8Very low50 Ų50112 Ų11252%0.51572%0.718SS.*  trans76.7112.3170.700000115.8E1426 Y1428E1426-G1481 WeakPolarHBondContact OE2-CA 3.32Å; Y1428-G1481 PolarHBondContact OH-O 2.92Å
1482G33.7Very low32.9Very low48 Ų48106.7 Ų106.750%0.49570%0.695SS.*  trans-123.2-46-177.800000115.6E1426E1426-G1482 VanDerWaalsContact CD-N 3.3Å; E1426-G1482 PolarHBondContact OE1-N 3.24Å; E1426-G1482 PolarHBondContact OE2-N 2.83Å
1483L35.1Very low33Very low116 Ų116106.8 Ų106.861%0.60769%0.688SS**  trans61.1121.2174.8-60.3-179000119.6E1426E1426-L1483 WeakPolarHBondContact OE1-CA 3.34Å; E1426-L1483 PolarHBondContact OE1-N 3.42Å
1484K33.6Very low33.3Very low179 Ų179104.3 Ų104.378%0.77868%0.675SS**  trans67.7155.8130-71.1172.3-179.6167.80120
1485S28.9Very low33.6Very low84 Ų84104 Ų10459%0.58767%0.667SS**  cis179.5176-30.853.30000107.9
1486Q32.6Very low33.8Very low173 Ų173107.3 Ų107.381%0.80867%0.667SS**  trans80.1101.2163.1-62.9172.9-10.400118.7
1487S28.7Very low33.9Very low103 Ų103103.5 Ų103.572%0.7265%0.65SS**  38.5159.2113.464.60000122.6
1488P35.7Very low34.1Very low105 Ų105105.9 Ų105.968%0.68265%0.645SS**  cis-139.6-147.4-30.435.4-12.1000112.6
1489D32Very low34.1Very low139 Ų139108.1 Ų108.174%0.74364%0.643SS**  trans76.988.8151.9-63.7-10.8000124.3
1490T31.1Very low34.3Very low91 Ų91109.9 Ų109.956%0.55865%0.645SS**  39131.8125.9-30000125.6K1588T1490-K1588 PolarHBondContact O-N 3.41Å
1491L31.4Very low34.3Very low110 Ų110112.3 Ų112.358%0.57665%0.653SS**  trans63.1-178.7155.9-70.7151.8000115.7P1589L1491-P1589 WeakPolarHBondContact O-CA 3.3Å
1492S35.4Very low34.4Very low59 Ų59115.7 Ų115.741%0.41367%0.667SS.*  -169.1142.4-55.2174.70000110.9K1588 P1589S1492-K1588 VanDerWaalsContact O-CD 3.31Å; S1492-K1588 WeakPolarHBondContact O-CD 3.44Å; S1492-K1588 WeakPolarHBondContact O-CE 3.27Å; S1492-K1588 VanDerWaalsContact O-CG 3.25Å; S1492-K1588 WeakPolarHBondContact O-CG 3.5Å; S1492-P1589 VanDerWaalsContact O-CB 3.29Å; S1492-P1589 WeakPolarHBondContact O-CB 3.39Å
1493N36Very low34.7Very low95 Ų95118 Ų11851%0.50867%0.673SS.*  trans-130.5154.8169.9-100.36.3000109.1S1590N1493-S1590 WeakPolarHBondContact ND2-CB 3.15Å
1494N36Very low34.4Very low114 Ų114115.8 Ų115.861%0.6166%0.664SS**  cis-175174-33.9-143.825.7000105.4K1588N1494-K1588 PolarHBondContact OD1-NZ 2.94Å
1495V37.3Very low34.4Very low124 Ų124112.3 Ų112.375%0.75265%0.654SS**  trans71.3131.3-178.4-175.60000113
1496D37.3Very low34.7Very low147 Ų147111.8 Ų111.879%0.78664%0.644SS**  cis-164.9163.1-24.9-100.2-20.7000104.5
1497A34.8Very low34.8Very low65 Ų65106.4 Ų106.454%0.53762%0.62SS.*  cis177144.2-17.300000104.9
1498K37.5Very low35.2Very low186 Ų186105.5 Ų105.581%0.80961%0.607SS**  trans60.9103.8156.4-57.3161.9-175.5171.70118.9
1499N35.8Very low35.1Very low146 Ų146105.8 Ų105.878%0.78160%0.603SS**  157.1143103.8-83.1-25.6000115.8
1500V39Very low35.2Very low120 Ų120107.4 Ų107.473%0.72760%0.604SS**  trans49.3103.7139.7-1780000117.4
1501S34.1Very low35.4Very low104 Ų104111.5 Ų111.573%0.72761%0.614SS**  76.3154.766-57.20000115.2
1502P37.3Very low35.6Very low122 Ų122111.3 Ų111.379%0.79262%0.617SS**  -129.4-124.5-53.440.1-20.7000111.5
1503P38.4Very low35.5Very low97 Ų97114.5 Ų114.563%0.6363%0.634SS**  trans-131.3-165.7-145.333.4-5.9000116.6
1504T30.4Very low35.7Very low68 Ų68116.4 Ų116.442%0.41765%0.649SS.*  trans73.9172.7153.7-12.50000118.7Q1575T1504-Q1575 HydrophobicContact CG2-CG 4.46Å
1505D33.8Very low35.6Very low106 Ų106119.9 Ų119.957%0.56766%0.659SS**  trans77150.6154.2-64-4.8000119.6Q1575D1505-Q1575 PolarHBondContact OD1-NE2 3.02Å
1506I34.8Very low35.7Very low73 Ų73119.5 Ų119.537%0.37466%0.659SS.*  cis-155.5168.8-18.4-114.1169.3000108.4R1570 V1574I1506-R1570 PolarHBondContact O-NH2 3.02Å; I1506-V1574 HydrophobicContact CG1-CG2 4.35Å
1507L34.4Very low35.6Very low61 Ų61118.3 Ų118.332%0.31966%0.657SS.*  trans-40.2161.5-178.9-51.496000120.1R1570 G1572 I1573 V1574L1507-R1570 PolarHBondContact O-NH2 3.25Å; L1507-G1572 WeakPolarHBondContact CA-O 3.34Å; L1507-I1573 HydrophobicContact CB-CG1 4.14Å; L1507-I1573 HydrophobicContact CD2-CD1 3.92Å; L1507-I1573 HydrophobicContact CD2-CG1 4.1Å; L1507-I1573 HydrophobicContact CD2-CG2 4.41Å; L1507-I1573 HydrophobicContact CG-CD1 4.37Å; L1507-I1573 HydrophobicContact CG-CG1 4.02Å; L1507-V1574 HydrophobicContact CD1-CG1 3.93Å; L1507-V1574 HydrophobicContact CD1-CG2 4.48Å; L1507-V1574 HydrophobicContact CG-CB 4.39Å; L1507-V1574 HydrophobicContact CG-CG1 4.13Å; L1507-V1574 HydrophobicContact CG-CG2 4.34Å
1508N35.9Very low35.7Very low84 Ų84122.7 Ų122.745%0.44967%0.67SS.*  88.6127.5128.1-89-21.4000123.1
1509N33.5Very low35.7Very low110 Ų110119.3 Ų119.359%0.58867%0.665SS**  78.7126.4127.1-83-48.9000124.1
1510K35.3Very low35.7Very low174 Ų174122.7 Ų122.776%0.75767%0.668SS**  82.6118.5128-74.2169.5-174.7173.70122.1
1511K34.5Very low35.7Very low176 Ų176121.9 Ų121.977%0.76567%0.668SS**  107.197.2118.1-94.7-158.8166.3-168.20121.7
1512T35.4Very low35.9Very low107 Ų107126 Ų12666%0.65667%0.673SS**  65.8150.7115.454.40000123.6
1513T34.2Very low35.8Very low125 Ų125124.9 Ų124.977%0.76767%0.666SS**  trans77.1139.7157.8150000116.3
1514V40Very low35.9Very low135 Ų135127.9 Ų127.982%0.81868%0.676SS**  cis-136.4165.513.7-164.10000112
1515K33.3Very low36.2Very low188 Ų188129.1 Ų129.182%0.81769%0.685SS**  trans-82.7-170.7169.1-60.6-174.3174.5-175.20111.2
1516P40.5Very low36.3Very low115 Ų115128.4 Ų128.475%0.74769%0.689SS**  cis-141.6161.91.242.4-22.8000120.1
1517T33.7Very low36.2Very low122 Ų122133.9 Ų133.975%0.74871%0.713SS**  trans5.8136.9135.3-48.70000121.6
1518I37.1Very low36Very low158 Ų158139.2 Ų139.281%0.8174%0.736SS**  -163.3123.8124.8-104.3159000114.5
1519T37.8Very low35.9Very low115 Ų115140.8 Ų140.871%0.70675%0.749SS**  trans58.4137.5148.1-45.70000125
1520Y36.1Very low35.9Very low217 Ų217141.1 Ų141.185%0.85175%0.749SS**  trans-62.3178.6172.2-55.6-93.8000114.3
1521S39.2Very low35.9Very low103 Ų103140.5 Ų140.572%0.7275%0.747SS**  cis-162.7140.826.2590000118
1522K38.6Very low35.9Very low191 Ų191139.3 Ų139.383%0.8375%0.749SS**  trans53.5124.1136-77.3-167.8174.4-172.60123.2
1523C35.2Very low35.6Very low97 Ų97138.8 Ų138.866%0.65575%0.748SS**  94.3100.9126.8-71.20000122.6
1524L39.8Very low35.5Very low160 Ų160140.4 Ų140.484%0.83875%0.749SS**  74.6151.2117.3-67.5172.9000119.8
1525P36.2Very low35.2Very low94 Ų94139.6 Ų139.661%0.6174%0.74SS**  trans-130.4178.6-137.142.4-26.7000115.1
1526S35.7Very low35.1Very low92 Ų92135.6 Ų135.664%0.64373%0.727SS**  trans-128.8159.8159.161.70000110.6
1527E32.7Very low34.7Very low188 Ų188136.2 Ų136.288%0.87972%0.721SS**  trans-91.5110.9-164.8-63.7169.3115.400112.6
1528H32.2Very low34.6Very low173 Ų173139.8 Ų139.880%0.80172%0.72SS**  trans-167.9143.2132.4-110.2-66.2000113
1529T33Very low34.5Very low117 Ų117138.3 Ų138.372%0.71871%0.714SS**  trans16.4116.9147.2-42.40000119.1
1530I33.7Very low34.2Very low117 Ų117143.1 Ų143.160%0.672%0.719SS**  trans-171.6139.5146.2-108.8155.5000113.3
1531K34.2Very low33.9Very low161 Ų161139.7 Ų139.770%0.771%0.714SS**  trans62.7149.2172-68.6153-159.5158.90115.4
1532D34.7Very low33.5Very low151 Ų151139.3 Ų139.381%0.80771%0.709SS**  cis-126.2169.613-83.6-49.3000111.9
1533C29.6Very low33.2Very low95 Ų95135.4 Ų135.464%0.64271%0.706SS**  cis-170.8148.7-31.8-1700000108.1
1534M31.9Very low33.1Very low159 Ų159136.8 Ų136.878%0.78371%0.707SS**  trans68.8133.5177.4-36.4-153.485.600114.4
1535D33.5Very low32.8Very low119 Ų119137 Ų13764%0.63670%0.704SS**  cis-151.2141.610.3-139.721000114.6
1536N32.4Very low32.5Very low103 Ų103138.5 Ų138.555%0.55171%0.71SS**  trans46121.3146.8-73.3-48000122.7
1537Q30.8Very low32.3Very low129 Ų129139.6 Ų139.660%0.60371%0.713SS**  55.8127.4122.6-64177.959.300119
1538R31.8Very low32.2Very low196 Ų196135.8 Ų135.874%0.7470%0.702SS**  cis-156.2157.632.2-101.7128.9-161.6-161.59.6112.8
1539D35Very low32.3Very low128 Ų128136.3 Ų136.368%0.68470%0.702SS**  trans15.1125.7132.1-51.4-71.6000118
1540R31.4Very low32.3Very low215 Ų215136.1 Ų136.181%0.81170%0.701SS**  46.912382.4-83.9-176167.6-172.2-2.2113.5
1541I30.4Very low32.3Very low146 Ų146135 Ų13575%0.74970%0.704SS**  trans48.4105.7133.2-52.5166000114.2
1542P31.9Very low32.3Very low95 Ų95133.5 Ų133.562%0.61770%0.703SS**  -143.2136.283.537.5-22.7000116.3N1544P1542-N1544 WeakPolarHBondContact CB-O 3.45Å; P1542-N1544 WeakPolarHBondContact CG-O 3.45Å
1543S31.4Very low32.3Very low109 Ų109131.5 Ų131.576%0.76270%0.697SS**SBendtrans-66.1125.9132-176.50000106.9
1544N33.8Very low32.6Very low125 Ų125135.3 Ų135.367%0.66870%0.702SS**SBendtrans96.8120-173.4-57.4-55.2000117.6P1542P1542-N1544 WeakPolarHBondContact CB-O 3.45Å; P1542-N1544 WeakPolarHBondContact CG-O 3.45Å
1545H31.9Very low32.7Very low166 Ų166136 Ų13677%0.76970%0.701SS**  trans74.8115.8157.9-80.8-103.7000122.2
1546V30.2Very low32.6Very low124 Ų124136.8 Ų136.875%0.75271%0.705SS**  trans76.9131.6130.2171.50000118.2
1547V31.8Very low32.7Very low115 Ų115137.7 Ų137.770%0.69771%0.709SS**  cis-161.7129.4-11.2114.80000110.8
1548V31.1Very low32.6Very low109 Ų109135.3 Ų135.366%0.66171%0.707SS**  trans45.7139.8135-179.50000122.4
1549K34.5Very low32.7Very low183 Ų183134.8 Ų134.880%0.79671%0.711SS**  trans76.7147.3160.7-79.7159.9-167.1173.60118.7
1550T32.7Very low32.5Very low114 Ų114134.8 Ų134.870%0.69972%0.715SS**  cis-178.1144.3-34.528.20000109.7
1551S32.8Very low32.4Very low93 Ų93130.2 Ų130.265%0.6571%0.714SS**  trans73.5141.7138.177.20000123
1552N35.6Very low32.7Very low129 Ų129129 Ų12969%0.6971%0.714SS**  trans87.496.5134.9-69.6-15.4000123
1553T33.7Very low32.5Very low109 Ų109129.7 Ų129.767%0.66972%0.721SS**  68.5167.4128.4710000117.6
1554K37.1Very low32.5Very low175 Ų175128.1 Ų128.176%0.76171%0.71SS**  cis-159.316614-135.5144.9-158.3163.80109.6
1555K34Very low32.4Very low173 Ų173131 Ų13175%0.75272%0.717SS**  trans20.8129.4149-73.8-168.3171.2-165.60121
1556L30.8Very low32.7Very low137 Ų137129.8 Ų129.872%0.71771%0.711SS**  85.116271.7-130.8170.4000112.2
1557D34.1Very low33Very low121 Ų121132.1 Ų132.165%0.64771%0.711SS**  trans72.2117.4-175.9-63.9-59000115
1558S28.4Very low33.3Very low80 Ų80132.6 Ų132.656%0.55972%0.715SS**  cis88.9162.343.686.30000112.8
1559F33.5Very low33.5Very low185 Ų185133.5 Ų133.581%0.81172%0.721SS**  trans68.7152.4-169.9-57.8-85.2000116
1560V32.3Very low33.6Very low128 Ų128132 Ų13278%0.77671%0.71SS**  cis-164.2167.9-39.5108.10000107.9T1562V1560-T1562 PolarHBondContact O-N 2.97Å
1561C29.3Very low33.7Very low118 Ų118130.8 Ų130.880%0.79771%0.706SS**  trans-65.2119.9-179-53.70000115.4
1562T35.2Very low33.9Very low122 Ų122128.4 Ų128.475%0.74870%0.696SS**  trans-150.8116.3135.446.60000107.1V1560V1560-T1562 PolarHBondContact O-N 2.97Å
1563S28.2Very low33.9Very low109 Ų109127.9 Ų127.976%0.76269%0.692SS**  69.816057.990.50000114.1
1564S31.6Very low33.9Very low76 Ų76125.7 Ų125.753%0.53168%0.679SS.*  trans84.686.2164.6179.70000120.7
1565K32.1Very low33.9Very low185 Ų185123 Ų12380%0.80467%0.668SS**  trans75.4161.1140.1-44165.8-166.9108.70115.3
1566Q37.8Very low33.8Very low141 Ų141117.6 Ų117.666%0.65965%0.653SS**  cis-146.214820.4-60.3-179.934.700113.4
1567K36.5Very low33.9Very low173 Ų173115.9 Ų115.975%0.75264%0.644SS**  trans59143.6146.2-61.8160.4-175.3164.40116.8
1568T37.7Very low34Very low125 Ų125118.5 Ų118.577%0.76765%0.65SS**  cis-160.216113.4-8.70000106.5
1569T36.7Very low34.3Very low128 Ų128119.1 Ų119.179%0.78565%0.65SS**  cis-142.3166.618.1-51.30000112.6
1570R36.4Very low34.3Very low152 Ų152117.1 Ų117.157%0.57465%0.653SS**  trans-66150.1171.9-71.9163.773.7-149.93.3112.8I1506 L1507I1506-R1570 PolarHBondContact O-NH2 3.02Å; L1507-R1570 PolarHBondContact O-NH2 3.25Å
1571S33.5Very low34.5Very low88 Ų88114.9 Ų114.962%0.61566%0.657SS**  69.2143.859.9157.70000112.9
1572G38.4Very low34.7Very low43 Ų43118 Ų11844%0.44366%0.66SS.*  cis128.1143.712.400000110.8L1507L1507-G1572 WeakPolarHBondContact CA-O 3.34Å
1573I34.1Very low34.8Very low117 Ų117123.7 Ų123.760%0.667%0.667SS**  trans-142.2114.6-177.3-65.8-179.8000106.3L1507L1507-I1573 HydrophobicContact CB-CG1 4.14Å; L1507-I1573 HydrophobicContact CD2-CD1 3.92Å; L1507-I1573 HydrophobicContact CD2-CG1 4.1Å; L1507-I1573 HydrophobicContact CD2-CG2 4.41Å; L1507-I1573 HydrophobicContact CG-CD1 4.37Å; L1507-I1573 HydrophobicContact CG-CG1 4.02Å
1574V35.1Very low35.1Very low64 Ų64123.3 Ų123.339%0.38867%0.665SS.*  81.2133.460.1159.70000110.8I1506 L1507I1506-V1574 HydrophobicContact CG1-CG2 4.35Å; L1507-V1574 HydrophobicContact CD1-CG1 3.93Å; L1507-V1574 HydrophobicContact CD1-CG2 4.48Å; L1507-V1574 HydrophobicContact CG-CB 4.39Å; L1507-V1574 HydrophobicContact CG-CG1 4.13Å; L1507-V1574 HydrophobicContact CG-CG2 4.34Å
1575Q36.8Very low35.2Very low117 Ų117126.5 Ų126.555%0.54767%0.674SS.*  cis-162.6172-2.9-109.4172.2-17.200106.5T1504 D1505T1504-Q1575 HydrophobicContact CG2-CG 4.46Å; D1505-Q1575 PolarHBondContact OD1-NE2 3.02Å
1576S32Very low35.5Very low61 Ų61127.4 Ų127.443%0.42767%0.672SS.*  cis176.1155.5-38.262.40000109.8
1577L31.7Very low35.3Very low100 Ų100123.1 Ų123.152%0.52466%0.658SS.*  trans68.3169.6164.5-50.3156.3000114.4T1579L1577-T1579 HydrophobicContact CD2-CG2 3.96Å
1578F37.2Very low35.2Very low176 Ų176119.9 Ų119.977%0.77264%0.644SS**  cis-126.2125.40.1-78.3-99.4000107.8
1579T34Very low35.2Very low94 Ų94116.9 Ų116.958%0.57763%0.627SS**  75.3158.86471.40000116.7L1577L1577-T1579 HydrophobicContact CD2-CG2 3.96Å
1580T33.8Very low34.9Very low142 Ų142113.3 Ų113.387%0.87161%0.607SS**  trans71.1107155320000119.5
1581G35.8Very low34.6Very low82 Ų82112.4 Ų112.485%0.84561%0.614SS**  trans-159.719.6169.400000115
1582Q33.5Very low34.9Very low184 Ų184114.7 Ų114.786%0.8662%0.624SS**  trans-72.6128-177.7-77.1-176.7-26.500113.3
1583R38.1Very low34.4Very low241 Ų241117 Ų11791%0.90963%0.633SS**  trans-167.7107.2142-99.1162.9-151.5-145.45.7105.9
1584S33.8Very low34.2Very low101 Ų101117 Ų11771%0.70664%0.638SS**  cis69.3145.133.4-160.10000114
1585I34.7Very low33.9Very low143 Ų143119.2 Ų119.273%0.73365%0.654SS**  trans70.9109.8-179.9-41168.1000111.2
1586R38.4Very low33.5Very low203 Ų203118.5 Ų118.577%0.76666%0.662SS**  -138.712353.2-96.9-156.5157.2-169-4.6115.7
1587S33.7Very low33.1Very low52 Ų52121.4 Ų121.436%0.36468%0.682SS.*  17.7145.7107.470.60000119.2
1588K34.4Very low32.8Very low105 Ų105121 Ų12146%0.45769%0.688SS.*  cis162.9177.110.4-104.3-158.3-179.1-168.20106.4T1490 S1492 N1494T1490-K1588 PolarHBondContact O-N 3.41Å; S1492-K1588 VanDerWaalsContact O-CD 3.31Å; S1492-K1588 WeakPolarHBondContact O-CD 3.44Å; S1492-K1588 WeakPolarHBondContact O-CE 3.27Å; S1492-K1588 VanDerWaalsContact O-CG 3.25Å; S1492-K1588 WeakPolarHBondContact O-CG 3.5Å; N1494-K1588 PolarHBondContact OD1-NZ 2.94Å
1589P37.5Very low32.3Very low61 Ų61118.5 Ų118.540%0.39669%0.687SS.*  cis-145.3-174.4-43.441.6-22.7000114.6L1491 S1492L1491-P1589 WeakPolarHBondContact O-CA 3.3Å; S1492-P1589 VanDerWaalsContact O-CB 3.29Å; S1492-P1589 WeakPolarHBondContact O-CB 3.39Å
1590S29.5Very low31.9Very low54 Ų54120.7 Ų120.738%0.37869%0.69SS.*  trans73.2155.3133.8770000120.9N1493N1493-S1590 WeakPolarHBondContact ND2-CB 3.15Å
1591N31.5Very low31.8Very low133 Ų133122.4 Ų122.471%0.71169%0.692SS**  trans66.5133.2164.6-45.6-29.4000112.9
1592V38.8Very low31.3Very low136 Ų136121.9 Ų121.982%0.82467%0.673SS**  cis-124.3124.626.1170.50000111.3
1593S28.9Very low31.1Very low92 Ų92124 Ų12464%0.64367%0.673SS**  trans-77.2162.7159.846.70000110.7
1594V28.8Very low30.8Very low117 Ų117123.3 Ų123.371%0.70967%0.671SS**  trans73.7146.5177.7-1660000112.6
1595P28.7Very low30.9Very low110 Ų110123.4 Ų123.471%0.71467%0.671SS**  cis-92.3168.6-9.65.218.6000111.5
1596S28.1Very low30.8Very low102 Ų102121.5 Ų121.571%0.71367%0.67SS**  68.5137.451.4-39.40000115S1598S1596-S1598 PolarHBondContact O-N 2.83Å
1597S24.6Very low30.5Very low121 Ų121118.1 Ų118.185%0.84667%0.667SS**  trans-43.4113.1158.948.80000114
1598S25.5Very low30.5Very low93 Ų93121.4 Ų121.465%0.6568%0.675SS**  trans-154.3119.3148-170.20000105.4S1596S1596-S1598 PolarHBondContact O-N 2.83Å
1599T25.8Very low30.3Very low122 Ų122119.3 Ų119.375%0.74867%0.673SS**  62.213758.9-39.30000111.7
1600Q27.2Very low29.8Very low140 Ų140120.1 Ų120.165%0.65468%0.677SS**  trans88.679.5167.6-49.9-15158.700120.2T1602Q1600-T1602 WeakPolarHBondContact CA-OG1 3.29Å; Q1600-T1602 WeakPolarHBondContact CB-OG1 3.18Å; Q1600-T1602 WeakPolarHBondContact CG-OG1 3.28Å; Q1600-T1602 PolarHBondContact OE1-OG1 3.29Å
1601I30Very low29.7Very low178 Ų178122.2 Ų122.291%0.91368%0.684SS**  -129.386.9107.8-55.8-176.6000104.9
1602T26.6Very low29.4Very low71 Ų71120.4 Ų120.444%0.43668%0.678SS.*  cis70.8122.747.2-77.20000113.7Q1600Q1600-T1602 WeakPolarHBondContact CA-OG1 3.29Å; Q1600-T1602 WeakPolarHBondContact CB-OG1 3.18Å; Q1600-T1602 WeakPolarHBondContact CG-OG1 3.28Å; Q1600-T1602 PolarHBondContact OE1-OG1 3.29Å
1603R29Very low28.8Very low230 Ų230117.6 Ų117.687%0.86866%0.661SS**  trans86.1121.5-169.5-58.9160.8-175.3-171.21.1112.1
1604R31.9Very low28.9Very low226 Ų226118.2 Ų118.285%0.85366%0.657SS**  cis-152.5155.35.1-106169.1177.7178.1-2.4111.5
1605S35.5Very low29.2Very low103 Ų103117.5 Ų117.572%0.7265%0.649SS**  trans53125.3160.746.20000120
1606S32.6Very low29.4Very low102 Ų102116 Ų11671%0.71364%0.641SS**  cis86.314718.388.70000117.7
1607L32.7Very low29.8Very low132 Ų132114.7 Ų114.769%0.69163%0.628SS**  trans96.3124.4175-54.9171.8000113
1608K33.8Very low30.2Very low121 Ų121113.1 Ų113.153%0.52661%0.61SS.*  64.2143.185.6-64.6-171.3-175-173.80112T1181T1181-K1608 CarbonylContact O-C 3.36Å
1609S29.4Very low30.6Very low61 Ų61113.4 Ų113.443%0.42761%0.605SS.*  cis-179.8137.2-8168.10000108.4T1181 H1182T1181-S1609 PolarHBondContact O-N 2.83Å; H1182-S1609 WeakPolarHBondContact CB-O 3.35Å
1610T27.2Very low31Very low79 Ų79114.5 Ų114.549%0.48560%0.599SS.*  trans54.4148154.953.20000121.5H1182H1182-T1610 WeakPolarHBondContact CB-O 3.46Å; H1182-T1610 VanDerWaalsContact CD2-CA 3.47Å; H1182-T1610 WeakPolarHBondContact CD2-CA 3.39Å; H1182-T1610 PolarHBondContact CD2-N 3.47Å; H1182-T1610 PolarHBondContact ND1-O 3.24Å
1611N26.6Very low31.3Very low97 Ų97117.1 Ų117.152%0.51960%0.603SS.*  trans74.6136.6151.2-73.7-27.4000122.7H1182H1182-N1611 VanDerWaalsContact CE1-C 3.41Å; H1182-N1611 PolarHBondContact CE1-N 3.24Å; H1182-N1611 VanDerWaalsContact CE1-N 3.35Å; H1182-N1611 PolarHBondContact CE1-O 2.83Å; H1182-N1611 VanDerWaalsContact CE1-O 3.24Å; H1182-N1611 PolarHBondContact ND1-O 3.45Å; H1182-N1611 PolarHBondContact NE2-N 3.48Å
1612V25.9Very low31.9Very low95 Ų95115.1 Ų115.158%0.57659%0.594SS**  48.6129.2125.1-1690000121.6I1184I1184-V1612 VanDerWaalsContact CD1-O 3.27Å; I1184-V1612 WeakPolarHBondContact CD1-O 3.1Å
1613T27.2Very low32.4Very low78 Ų78117.3 Ų117.348%0.47961%0.609SS.*  trans70.9112155.948.50000124.3I1184I1184-T1613 WeakPolarHBondContact CD1-O 3.49Å; I1184-T1613 VanDerWaalsContact CG1-O 3.31Å; I1184-T1613 WeakPolarHBondContact CG1-O 3.34Å; I1184-T1613 WeakPolarHBondContact CG2-O 3.37Å
1614N30.1Very low32.6Very low104 Ų104110.7 Ų110.756%0.55660%0.598SS**  77.3143.1127.8-66.5-25.8000123.5F1185F1185-N1614 HydrophobicContact CE1-CB 4.37Å; F1185-N1614 HydrophobicContact CE2-CB 3.81Å; F1185-N1614 HydrophobicContact CZ-CB 3.57Å
1615L34Very low32.7Very low103 Ų103107 Ų10754%0.53959%0.593SS.*  trans55.1141.7160.4-82.483.5000119.6F1185F1185-L1615 HydrophobicContact CD1-CB 3.86Å; F1185-L1615 HydrophobicContact CD1-CD2 4.42Å; F1185-L1615 HydrophobicContact CE1-CB 3.71Å; F1185-L1615 HydrophobicContact CE1-CD1 3.81Å; F1185-L1615 HydrophobicContact CE1-CD2 3.94Å; F1185-L1615 HydrophobicContact CE1-CG 3.99Å; F1185-L1615 HydrophobicContact CZ-CB 4.47Å; F1185-L1615 HydrophobicContact CZ-CD1 4.13Å
1616S34.2Very low32.7Very low79 Ų79107.4 Ų107.455%0.55259%0.594SS**  cis120.6149.910-175.80000111.8S1186S1186-S1616 PolarHBondContact OG-O 3.4Å
1617V36.6Very low32.7Very low73 Ų73108.4 Ų108.444%0.44260%0.595SS.*  trans63.3145.4169.9-76.50000117.5F1202F1202-V1617 HydrophobicContact CE1-CB 4.44Å; F1202-V1617 HydrophobicContact CE1-CG1 4.17Å; F1202-V1617 HydrophobicContact CE1-CG2 3.95Å; F1202-V1617 HydrophobicContact CZ-CB 4.08Å; F1202-V1617 HydrophobicContact CZ-CG1 4.14Å; F1202-V1617 HydrophobicContact CZ-CG2 3.8Å
1618N33.7Very low32.8Very low88 Ų88108.1 Ų108.147%0.47160%0.603SS.*  cis-162.714323.5-138.39.8000118.1F1202F1202-N1618 WeakPolarHBondContact CE2-ND2 3.44Å; F1202-N1618 VanDerWaalsContact CZ-ND2 3.32Å; F1202-N1618 WeakPolarHBondContact CZ-ND2 3.32Å
1619N32.6Very low32.9Very low99 Ų99108.7 Ų108.753%0.52962%0.617SS.*  trans58121.5130.8-84.7-24.9000125.5
1620K33.6Very low33.3Very low146 Ų146111.3 Ų111.364%0.63563%0.632SS**  101.4105.4112.6-78.8169.7-174.7156.50123.1
1621R34.5Very low33.8Very low194 Ų194114.6 Ų114.673%0.73265%0.647SS**  66.3105.795.1-166.8-171-143.8-157.110.1120.7
1622L42.4Very low34.1Very low137 Ų137114.6 Ų114.672%0.71765%0.654SS**  34.5137129.7-66.7164.5000122.1
1623P36.9Very low34.6Very low117 Ų117115.5 Ų115.576%0.7666%0.66SS**  -138.4176122.437.5-25.2000114.5
1624S33.9Very low34.9Very low90 Ų90122.2 Ų122.263%0.62968%0.677SS**  173.1161.5-54.557.70000112.1
1625I32.9Very low35.2Very low149 Ų149124.2 Ų124.276%0.76469%0.687SS**  trans75.9157.9162.4-55.5152.9000114.9
1626P35.9Very low35.3Very low112 Ų112124.9 Ų124.973%0.72770%0.7SS**  cis-110.2158.9-1415.58.2000113.8
1627V33.1Very low35.3Very low123 Ų123124.2 Ų124.275%0.74571%0.706SS**  84.4114.953178.60000116
1628C34.3Very low35.3Very low126 Ų126130 Ų13085%0.85173%0.725SS**  trans-176.5140.1130.2-107.70000113.2
1629T36Very low35.4Very low133 Ų133134.6 Ų134.682%0.81674%0.744SS**  trans-155143.4-179.1520000112.8
1630P39Very low35.5Very low115 Ų115137.9 Ų137.975%0.74776%0.759SS**  trans-134.5163.4149.334.8-19.5000112.7
1631N36.4Very low35.6Very low149 Ų149134.7 Ų134.780%0.79775%0.746SS**  cis-160.7149.1-18.9-107.4-22.1000111.7
1632S33.9Very low35.3Very low96 Ų96131.4 Ų131.467%0.67175%0.747SS**  trans36.4134.2139.3-159.70000120.4
1633T35.9Very low34.9Very low115 Ų115128.3 Ų128.371%0.70674%0.736SS**  -171.6118.766.3-61.20000109.8
1634R34Very low34.7Very low219 Ų219128 Ų12883%0.82673%0.725SS**  60.3126.199-119.2-177.7-171-162.84.2113
1635L36.3Very low34.7Very low146 Ų146126.1 Ų126.176%0.76471%0.711SS**  cis-149.3139.343.8-72.8153.7000109.8
1636S35Very low34.9Very low116 Ų116128.6 Ų128.681%0.81171%0.713SS**  64.9118.873.4-179.10000115.2
1637G35.2Very low34.9Very low66 Ų66130.6 Ų130.668%0.6872%0.716SS**  cis165.5-162.3-0.900000114.8
1638K36.8Very low35Very low194 Ų194130.6 Ų130.684%0.84372%0.72SS**  trans77106179.1-55.7-177.6179.6-177.50115.1
1639Q34.9Very low35.4Very low185 Ų185130.6 Ų130.686%0.86472%0.716SS**  71135.594.2-71.1-178.9100113
1640I35.3Very low35.7Very low167 Ų167130.3 Ų130.386%0.85670%0.703SS**  cis-131.8177.941.9-71.4165.7000112.6
1641K34.5Very low35.9Very low80 Ų80130.9 Ų130.935%0.34870%0.699SS.*  trans-95.4161.4-174.4-70.4168.6152.4-1460114.2P306 V311P306-K1641 VanDerWaalsContact C-NZ 3.34Å; P306-K1641 PolarHBondContact O-NZ 3.44Å; V311-K1641 HydrophobicContact CG1-CB 4.27Å; V311-K1641 HydrophobicContact CG1-CD 3.65Å; V311-K1641 VanDerWaalsContact CG1-CE 3.43Å; V311-K1641 HydrophobicContact CG1-CG 3.89Å; V311-K1641 VanDerWaalsContact CG1-NZ 3.29Å
1642V29.8Very low36.7Very low125 Ų125125.5 Ų125.576%0.75867%0.671SS**  trans-137.4161.8174.31740000110.1
1643S32.6Very low37.7Very low71 Ų71122.9 Ų122.950%0.49765%0.652SS.*  trans-154.4172.1-179.8-65.10000113.4R314R314-S1643 WeakPolarHBondContact CD-OG 3.41Å; R314-S1643 PolarHBondContact NH1-OG 3.34Å
1644E33.8Very low38.6Very low112 Ų112124.3 Ų124.352%0.52365%0.648SS.*  cis-153159.420.1170.860.9-60.200112.7R314R314-E1644 IonicContact CZ-OE1 3.57Å; R314-E1644 IonicContact CZ-OE2 3.6Å; R314-E1644 IonicContact NE-OE1 3.74Å; R314-E1644 PolarHBondContact NE-OE1 2.83Å; R314-E1644 IonicContact NE-OE2 3.8Å; R314-E1644 IonicContact NH2-OE1 2.7Å; R314-E1644 PolarHBondContact NH2-OE1 3.32Å; R314-E1644 IonicContact NH2-OE2 3.78Å; R314-E1644 PolarHBondContact NH2-OE2 2.95Å
1645S34Very low40.3Very low49 Ų49118.3 Ų118.334%0.34363%0.632SS.*  trans-155149.1174.359.70000115.9E317E317-S1645 PolarHBondContact OE2-OG 2.67Å
1646Y36.7Very low42Very low202 Ų202115.9 Ų115.979%0.79262%0.617SS**  trans-147.3172.4174.7-101.7-81.1000113.8
1647I35.7Very low43.8Very low154 Ų154113 Ų11379%0.7960%0.6SS**  trans-119.7151.9-148-61.9160.2000114.8
1648C34.9Very low45.8Very low123 Ų123116.4 Ų116.483%0.83160%0.596SS**  trans-141.1160.4155-161.70000112.4
1649T43.7Very low47.8Very low125 Ų125110.4 Ų110.477%0.76758%0.576SS**PPolyproline II helixtrans-98.3148.7-162.548.30000116
1650K41.5Very low50.1Low127 Ų127106.3 Ų106.355%0.55256%0.559SS**PPolyproline II helixtrans-73130.1177.9-73.1-179.5170.8-178.20112.9Q1221 V1222Q1221-K1650 WeakPolarHBondContact O-CE 3.39Å; Q1221-K1650 PolarHBondContact O-NZ 3.23Å; V1222-K1650 HydrophobicContact CG1-CB 3.92Å; V1222-K1650 HydrophobicContact CG1-CD 4.09Å; V1222-K1650 HydrophobicContact CG1-CG 3.95Å; V1222-K1650 HydrophobicContact CG2-CG 4.36Å
1651L43.9Very low52.3Low127 Ų127104.6 Ų104.667%0.66555%0.548SS*.PPolyproline II helixtrans-95.9155166.1-81.9161.6000110.5V1222 P1653V1222-L1651 VanDerWaalsContact CG1-O 3.24Å; V1222-L1651 WeakPolarHBondContact CG1-O 3.29Å; L1651-P1653 WeakPolarHBondContact O-CD 3.46Å
1652N51.6Low54.6Low36 Ų36105.7 Ų105.719%0.19356%0.555CS.*PPolyproline II helixtrans-58.9120.1176.6165.2-10.9000110.8D1225 F1654 N1655 Q1656D1225-N1652 PolarHBondContact OD1-ND2 3.24Å; D1225-N1652 VanDerWaalsContact OD1-ND2 3.16Å; D1225-N1652 PolarHBondContact OD2-ND2 2.97Å; D1225-N1652 PolarHBondContact OD2-OD1 3.29Å; N1652-F1654 VanDerWaalsContact C-N 3.3Å; N1652-F1654 PolarHBondContact O-N 2.98Å; N1652-F1654 WeakPolarHBondContact OD1-CA 3.41Å; N1652-F1654 VanDerWaalsContact OD1-CB 3.31Å; N1652-F1654 WeakPolarHBondContact OD1-CB 3.3Å; N1652-F1654 PolarHBondContact OD1-N 3.49Å; N1652-N1655 HydrophobicContact CB-CB 4.25Å; N1652-N1655 PolarHBondContact ND2-ND2 3.45Å; N1652-N1655 PolarHBondContact O-N 3.43Å; N1652-N1655 PolarHBondContact OD1-N 3.33Å; N1652-N1655 VanDerWaalsContact OD1-N 3.15Å; N1652-Q1656 WeakPolarHBondContact O-CB 3.24Å; N1652-Q1656 PolarHBondContact O-N 2.77Å
1653P55Low57.2Low42 Ų42105 Ų10527%0.27354%0.544SS..Hα-helixtrans-61.3-29.6-179.2-25.835.6000115V1222 I1223 S1224 L1651 Q1656 A1657V1222-P1653 HydrophobicContact CB-CG 4.04Å; V1222-P1653 HydrophobicContact CG1-CG 3.75Å; I1223-P1653 WeakPolarHBondContact O-CD 3.36Å; S1224-P1653 VanDerWaalsContact O-CD 3.3Å; S1224-P1653 WeakPolarHBondContact O-CD 3.29Å; L1651-P1653 WeakPolarHBondContact O-CD 3.46Å; P1653-Q1656 PolarHBondContact O-N 3.03Å; P1653-A1657 WeakPolarHBondContact O-CB 3.47Å; P1653-A1657 PolarHBondContact O-N 2.91Å
1654F55.8Low59.6Low145 Ų145105.8 Ų105.864%0.63654%0.542SS*.Hα-helixtrans-76.6-40.6-178.7-149.5-86.1000111D1225 N1652 Q1656 A1657 K1658D1225-F1654 HydrophobicContact CB-CB 3.85Å; D1225-F1654 HydrophobicContact CB-CG 4.45Å; D1225-F1654 WeakPolarHBondContact OD2-CB 3.38Å; N1652-F1654 VanDerWaalsContact C-N 3.3Å; N1652-F1654 PolarHBondContact O-N 2.98Å; N1652-F1654 WeakPolarHBondContact OD1-CA 3.41Å; N1652-F1654 VanDerWaalsContact OD1-CB 3.31Å; N1652-F1654 WeakPolarHBondContact OD1-CB 3.3Å; N1652-F1654 PolarHBondContact OD1-N 3.49Å; F1654-Q1656 VanDerWaalsContact C-N 3.35Å; F1654-A1657 PolarHBondContact O-N 3.34Å; F1654-K1658 VanDerWaalsContact O-CB 3.27Å; F1654-K1658 WeakPolarHBondContact O-CB 3.35Å; F1654-K1658 PolarHBondContact O-N 3.47Å
1655N70.3Confident61.8Low92 Ų92102.8 Ų102.849%0.49253%0.533SS..Hα-helixtrans-66-37.6167.8-86.4-44.8000111.7N1652 K1658 V1659N1652-N1655 HydrophobicContact CB-CB 4.25Å; N1652-N1655 PolarHBondContact ND2-ND2 3.45Å; N1652-N1655 PolarHBondContact O-N 3.43Å; N1652-N1655 PolarHBondContact OD1-N 3.33Å; N1652-N1655 VanDerWaalsContact OD1-N 3.15Å; N1655-K1658 PolarHBondContact O-N 2.93Å; N1655-V1659 WeakPolarHBondContact O-CB 3.45Å; N1655-V1659 VanDerWaalsContact O-CG2 3.29Å; N1655-V1659 WeakPolarHBondContact O-CG2 3.18Å; N1655-V1659 PolarHBondContact O-N 2.81Å
1656Q70.6Confident64.1Low95 Ų95105.9 Ų105.944%0.44454%0.542SS..Hα-helixtrans-67.5-39.1175.1-160.2170.732.600111.8N1652 P1653 F1654 V1659 L1660N1652-Q1656 WeakPolarHBondContact O-CB 3.24Å; N1652-Q1656 PolarHBondContact O-N 2.77Å; P1653-Q1656 PolarHBondContact O-N 3.03Å; F1654-Q1656 VanDerWaalsContact C-N 3.35Å; Q1656-V1659 PolarHBondContact O-N 2.72Å; Q1656-L1660 HydrophobicContact CG-CD1 4.29Å; Q1656-L1660 VanDerWaalsContact O-CB 3.27Å; Q1656-L1660 WeakPolarHBondContact O-CB 3.19Å; Q1656-L1660 VanDerWaalsContact O-CG 3.23Å; Q1656-L1660 WeakPolarHBondContact O-CG 3.22Å; Q1656-L1660 PolarHBondContact O-N 3Å
1657A73.7Confident66.1Low55 Ų55102.8 Ų102.846%0.45553%0.529SS..Hα-helixtrans-66.2-3917300000112P1653 F1654 L1660 Q1661P1653-A1657 WeakPolarHBondContact O-CB 3.47Å; P1653-A1657 PolarHBondContact O-N 2.91Å; F1654-A1657 PolarHBondContact O-N 3.34Å; A1657-L1660 CarbonylContact O-C 3.16Å; A1657-L1660 PolarHBondContact O-N 3.35Å; A1657-Q1661 WeakPolarHBondContact O-CB 3.16Å; A1657-Q1661 PolarHBondContact O-N 3.25Å
1658K76.1Confident68.1Low138 Ų13899.9 Ų99.960%0.651%0.512SS*.Hα-helixtrans-70.6-37.3176.4-167.2171.6-175.4174.10112.3F1654 N1655 M1662F1654-K1658 VanDerWaalsContact O-CB 3.27Å; F1654-K1658 WeakPolarHBondContact O-CB 3.35Å; F1654-K1658 PolarHBondContact O-N 3.47Å; N1655-K1658 PolarHBondContact O-N 2.93Å; K1658-M1662 VanDerWaalsContact O-CB 3.22Å; K1658-M1662 WeakPolarHBondContact O-CB 3.24Å; K1658-M1662 PolarHBondContact O-N 2.87Å
1659V80.7Confident70.1Confident69 Ų6999.3 Ų99.342%0.41850%0.498SS..Hα-helixtrans-65.6-46169.51690000110.2N1655 Q1656 Q1661 M1662 E1663N1655-V1659 WeakPolarHBondContact O-CB 3.45Å; N1655-V1659 VanDerWaalsContact O-CG2 3.29Å; N1655-V1659 WeakPolarHBondContact O-CG2 3.18Å; N1655-V1659 PolarHBondContact O-N 2.81Å; Q1656-V1659 PolarHBondContact O-N 2.72Å; V1659-Q1661 PolarHBondContact O-N 2.86Å; V1659-M1662 CarbonylContact O-C 3.45Å; V1659-M1662 PolarHBondContact O-N 2.82Å; V1659-E1663 HydrophobicContact CG1-CG 4.27Å; V1659-E1663 WeakPolarHBondContact O-CB 3.42Å; V1659-E1663 WeakPolarHBondContact O-CG 3.43Å; V1659-E1663 PolarHBondContact O-N 2.72Å
1660L81.3Confident71.7Confident98 Ų98100.8 Ų100.851%0.51349%0.493SS..Hα-helixtrans-66.7-32.2176.9-74.6169.8000113Q1656 A1657 L1664Q1656-L1660 HydrophobicContact CG-CD1 4.29Å; Q1656-L1660 VanDerWaalsContact O-CB 3.27Å; Q1656-L1660 WeakPolarHBondContact O-CB 3.19Å; Q1656-L1660 VanDerWaalsContact O-CG 3.23Å; Q1656-L1660 WeakPolarHBondContact O-CG 3.22Å; Q1656-L1660 PolarHBondContact O-N 3Å; A1657-L1660 CarbonylContact O-C 3.16Å; A1657-L1660 PolarHBondContact O-N 3.35Å; L1660-L1664 WeakPolarHBondContact O-CA 3.32Å; L1660-L1664 WeakPolarHBondContact O-CB 3.49Å; L1660-L1664 PolarHBondContact O-N 3.03Å
1661Q81.3Confident72.9Confident131 Ų131102 Ų10261%0.61250%0.495SS*.Hα-helixtrans-73.7-35.2173.7-170.2-179.831.700111A1657 V1659 S1665A1657-Q1661 WeakPolarHBondContact O-CB 3.16Å; A1657-Q1661 PolarHBondContact O-N 3.25Å; V1659-Q1661 PolarHBondContact O-N 2.86Å; Q1661-S1665 WeakPolarHBondContact O-CB 3.31Å; Q1661-S1665 PolarHBondContact O-N 3.44Å; Q1661-S1665 PolarHBondContact O-OG 3.04Å
1662M83.8Confident73.6Confident104 Ų104101.2 Ų101.251%0.51249%0.49SS..Hα-helixtrans-72.7-37.5172.5-175.1170.862.900112K1658 V1659 S1665 Q1666K1658-M1662 VanDerWaalsContact O-CB 3.22Å; K1658-M1662 WeakPolarHBondContact O-CB 3.24Å; K1658-M1662 PolarHBondContact O-N 2.87Å; V1659-M1662 CarbonylContact O-C 3.45Å; V1659-M1662 PolarHBondContact O-N 2.82Å; M1662-S1665 PolarHBondContact O-N 3.44Å; M1662-Q1666 VanDerWaalsContact O-CB 3.24Å; M1662-Q1666 WeakPolarHBondContact O-CB 3.45Å; M1662-Q1666 VanDerWaalsContact O-CG 3.24Å; M1662-Q1666 WeakPolarHBondContact O-CG 3.39Å; M1662-Q1666 PolarHBondContact O-N 2.83Å
1663E83.5Confident73.8Confident111 Ų111105.7 Ų105.752%0.51951%0.508SS..Hα-helixtrans-71.1-38.1172.8-77.9-166.4141.900111.4V1659 Q1666 W1667V1659-E1663 HydrophobicContact CG1-CG 4.27Å; V1659-E1663 WeakPolarHBondContact O-CB 3.42Å; V1659-E1663 WeakPolarHBondContact O-CG 3.43Å; V1659-E1663 PolarHBondContact O-N 2.72Å; E1663-Q1666 CarbonylContact O-C 3.56Å; E1663-Q1666 PolarHBondContact O-N 3.29Å; E1663-W1667 WeakPolarHBondContact O-CA 3.36Å; E1663-W1667 WeakPolarHBondContact O-CB 3.15Å; E1663-W1667 PolarHBondContact O-N 2.91Å
1664L84.7Confident73.3Confident86 Ų86108.8 Ų108.845%0.4553%0.529SS..Hα-helixtrans-65.5-42.6172.1-179.362.5000110.2L1660 W1667 Q1668L1660-L1664 WeakPolarHBondContact O-CA 3.32Å; L1660-L1664 WeakPolarHBondContact O-CB 3.49Å; L1660-L1664 PolarHBondContact O-N 3.03Å; L1664-W1667 HydrophobicContact CD1-CE3 4.36Å; L1664-W1667 PolarHBondContact O-N 2.87Å; L1664-Q1668 HydrophobicContact CD1-CG 4.24Å; L1664-Q1668 HydrophobicContact CG-CG 4.42Å; L1664-Q1668 WeakPolarHBondContact O-CB 3.43Å; L1664-Q1668 WeakPolarHBondContact O-CG 3.48Å; L1664-Q1668 PolarHBondContact O-N 2.92Å
1665S80.1Confident72.6Confident49 Ų49110.7 Ų110.734%0.34353%0.534SS..Hα-helixtrans-65.3-41.2174.5-62.90000111.5Q1661 M1662 Q1669Q1661-S1665 WeakPolarHBondContact O-CB 3.31Å; Q1661-S1665 PolarHBondContact O-N 3.44Å; Q1661-S1665 PolarHBondContact O-OG 3.04Å; M1662-S1665 PolarHBondContact O-N 3.44Å; S1665-Q1669 VanDerWaalsContact O-CB 3.23Å; S1665-Q1669 WeakPolarHBondContact O-CB 3.2Å; S1665-Q1669 WeakPolarHBondContact O-CG 3.07Å; S1665-Q1669 PolarHBondContact O-N 3.14Å
1666Q80.4Confident71Confident114 Ų114112.7 Ų112.753%0.53354%0.54SS..Hα-helixtrans-69.2-35.2174.2-78.5-1762700112M1662 E1663 Q1669 K1670M1662-Q1666 VanDerWaalsContact O-CB 3.24Å; M1662-Q1666 WeakPolarHBondContact O-CB 3.45Å; M1662-Q1666 VanDerWaalsContact O-CG 3.24Å; M1662-Q1666 WeakPolarHBondContact O-CG 3.39Å; M1662-Q1666 PolarHBondContact O-N 2.83Å; E1663-Q1666 CarbonylContact O-C 3.56Å; E1663-Q1666 PolarHBondContact O-N 3.29Å; Q1666-Q1669 CarbonylContact O-C 3.03Å; Q1666-K1670 VanDerWaalsContact O-CB 3.29Å; Q1666-K1670 WeakPolarHBondContact O-CB 3.46Å; Q1666-K1670 PolarHBondContact O-N 3.27Å
1667W79.3Confident69.3Low137 Ų137115.1 Ų115.152%0.51955%0.551SS.*Hα-helixtrans-75.4-40.4178.3-178.493.7000111.5E1663 L1664 K1670 R1671E1663-W1667 WeakPolarHBondContact O-CA 3.36Å; E1663-W1667 WeakPolarHBondContact O-CB 3.15Å; E1663-W1667 PolarHBondContact O-N 2.91Å; L1664-W1667 HydrophobicContact CD1-CE3 4.36Å; L1664-W1667 PolarHBondContact O-N 2.87Å; W1667-K1670 PolarHBondContact O-N 2.68Å; W1667-R1671 WeakPolarHBondContact O-CB 2.86Å; W1667-R1671 PolarHBondContact O-N 3.39Å
1668Q77.7Confident67.3Low93 Ų93118.1 Ų118.144%0.43557%0.566SS.*Hα-helixtrans-59.8-49.8167-76.1172.6-1900109.6L1664 K1670 R1671 L1672L1664-Q1668 HydrophobicContact CD1-CG 4.24Å; L1664-Q1668 HydrophobicContact CG-CG 4.42Å; L1664-Q1668 WeakPolarHBondContact O-CB 3.43Å; L1664-Q1668 WeakPolarHBondContact O-CG 3.48Å; L1664-Q1668 PolarHBondContact O-N 2.92Å; Q1668-K1670 VanDerWaalsContact C-N 3.29Å; Q1668-K1670 PolarHBondContact O-N 3.21Å; Q1668-R1671 PolarHBondContact O-N 3.23Å; Q1668-L1672 HydrophobicContact CB-CD1 4.49Å; Q1668-L1672 WeakPolarHBondContact O-CB 3.26Å; Q1668-L1672 WeakPolarHBondContact O-CG 3.47Å; Q1668-L1672 PolarHBondContact O-N 3.15Å
1669Q78.3Confident65.3Low112 Ų112118.7 Ų118.752%0.52357%0.571SS.*Hα-helixtrans-61.5-33.1173.3-76.4-178.819.400112.8S1665 Q1666 K1673S1665-Q1669 VanDerWaalsContact O-CB 3.23Å; S1665-Q1669 WeakPolarHBondContact O-CB 3.2Å; S1665-Q1669 WeakPolarHBondContact O-CG 3.07Å; S1665-Q1669 PolarHBondContact O-N 3.14Å; Q1666-Q1669 CarbonylContact O-C 3.03Å; Q1669-K1673 WeakPolarHBondContact O-CB 3.41Å; Q1669-K1673 WeakPolarHBondContact O-CG 3.46Å; Q1669-K1673 PolarHBondContact O-N 2.57Å
1670K76.5Confident63Low155 Ų155122.6 Ų122.667%0.67459%0.59SS**Hα-helixtrans-70.6-44.5176.4-134.1165.8-174.2170.20110.8Q1666 W1667 Q1668 C1674Q1666-K1670 VanDerWaalsContact O-CB 3.29Å; Q1666-K1670 WeakPolarHBondContact O-CB 3.46Å; Q1666-K1670 PolarHBondContact O-N 3.27Å; W1667-K1670 PolarHBondContact O-N 2.68Å; Q1668-K1670 VanDerWaalsContact C-N 3.29Å; Q1668-K1670 PolarHBondContact O-N 3.21Å; K1670-C1674 WeakPolarHBondContact O-CB 3.21Å; K1670-C1674 PolarHBondContact O-N 3.31Å; K1670-C1674 PolarHBondContact O-SG 2.78Å
1671R66.8Low61Low153 Ų153125.5 Ų125.558%0.57761%0.606SS**Hα-helixtrans-67.4-41.7175.5-104.7-176.3161.7-163-6.4112.6W1667 Q1668 C1674 Y1675W1667-R1671 WeakPolarHBondContact O-CB 2.86Å; W1667-R1671 PolarHBondContact O-N 3.39Å; Q1668-R1671 PolarHBondContact O-N 3.23Å; R1671-C1674 CarbonylContact O-C 3.54Å; R1671-C1674 WeakPolarHBondContact O-CA 3.38Å; R1671-C1674 WeakPolarHBondContact O-CB 3.27Å; R1671-C1674 PolarHBondContact O-N 2.78Å; R1671-Y1675 WeakPolarHBondContact O-CD2 3.28Å; R1671-Y1675 PolarHBondContact O-N 3.34Å; R1671-Y1675 VanDerWaalsContact O-N 3.16Å
1672L58.3Low58.6Low110 Ų110128.8 Ų128.858%0.57662%0.618SS**Hα-helixtrans-71.5-33.6177.2-67.8168.7000111.2Q1668 Y1675 Q1676Q1668-L1672 HydrophobicContact CB-CD1 4.49Å; Q1668-L1672 WeakPolarHBondContact O-CB 3.26Å; Q1668-L1672 WeakPolarHBondContact O-CG 3.47Å; Q1668-L1672 PolarHBondContact O-N 3.15Å; L1672-Y1675 CarbonylContact O-C 3.06Å; L1672-Y1675 WeakPolarHBondContact O-CA 3.3Å; L1672-Y1675 PolarHBondContact O-N 2.86Å; L1672-Q1676 WeakPolarHBondContact O-CG 3.42Å; L1672-Q1676 PolarHBondContact O-N 3.35Å
1673K54.9Low56.2Low131 Ų131132.1 Ų132.157%0.5763%0.634SS**Hα-helixtrans-70.8-28.3167.4-74.3177.2174.7179.60113Q1669 Y1675 Q1676Q1669-K1673 WeakPolarHBondContact O-CB 3.41Å; Q1669-K1673 WeakPolarHBondContact O-CG 3.46Å; Q1669-K1673 PolarHBondContact O-N 2.57Å; K1673-Y1675 PolarHBondContact O-N 3.36Å; K1673-Q1676 PolarHBondContact O-N 2.93Å
1674C45.2Very low53.8Low106 Ų106132.7 Ų132.772%0.71665%0.645SS**THydrogen-bonded Turntrans-71.9-1.5163.8-66.60000113.8K1670 R1671K1670-C1674 WeakPolarHBondContact O-CB 3.21Å; K1670-C1674 PolarHBondContact O-N 3.31Å; K1670-C1674 PolarHBondContact O-SG 2.78Å; R1671-C1674 CarbonylContact O-C 3.54Å; R1671-C1674 WeakPolarHBondContact O-CA 3.38Å; R1671-C1674 WeakPolarHBondContact O-CB 3.27Å; R1671-C1674 PolarHBondContact O-N 2.78Å
1675Y40.2Very low51.3Low186 Ų186135.9 Ų135.973%0.72966%0.661SS**THydrogen-bonded Turntrans-120.510.5166.5-77.8-68.3000112.9R1671 L1672 K1673R1671-Y1675 WeakPolarHBondContact O-CD2 3.28Å; R1671-Y1675 PolarHBondContact O-N 3.34Å; R1671-Y1675 VanDerWaalsContact O-N 3.16Å; L1672-Y1675 CarbonylContact O-C 3.06Å; L1672-Y1675 WeakPolarHBondContact O-CA 3.3Å; L1672-Y1675 PolarHBondContact O-N 2.86Å; K1673-Y1675 PolarHBondContact O-N 3.36Å
1676Q37.9Very low49Very low134 Ų134138.1 Ų138.163%0.62668%0.677SS**SBendtrans-110.587.3165.5-72.4-179.3-4200107.4L1672 K1673L1672-Q1676 WeakPolarHBondContact O-CG 3.42Å; L1672-Q1676 PolarHBondContact O-N 3.35Å; K1673-Q1676 PolarHBondContact O-N 2.93Å
1677E34.9Very low46.7Very low145 Ų145139.4 Ų139.468%0.67869%0.693SS**  trans-55.6134.7171.2-173.7-178.9-123.800109.7Q1679E1677-Q1679 PolarHBondContact O-N 2.89Å; E1677-Q1679 PolarHBondContact OE2-NE2 2.98Å
1678P32.3Very low44.4Very low118 Ų118137.6 Ų137.677%0.76670%0.701SS**  trans-76.573.8-175.831.8-36.4000111.7N1680P1678-N1680 PolarHBondContact O-N 3.01Å
1679Q33.4Very low42.3Very low150 Ų150139.1 Ų139.170%0.70172%0.717SS**  trans-7065.2171.1-73.5-70.1-17.700111.3E1677E1677-Q1679 PolarHBondContact O-N 2.89Å; E1677-Q1679 PolarHBondContact OE2-NE2 2.98Å
1680N32.8Very low40.2Very low152 Ų152140.3 Ų140.381%0.81373%0.726SS**  trans-163.568.8167.8-109.3-28.3000111.3P1678P1678-N1680 PolarHBondContact O-N 3.01Å
1681N37.7Very low38.2Very low158 Ų158140.4 Ų140.485%0.84573%0.732SS**  trans-162.679.6156.8-105.2-30.6000114.1
1682K32.9Very low36.7Very low200 Ų200138.8 Ų138.887%0.8774%0.741SS**  trans23.998.8132.1-170.7178.9-175.7174.70118
1683M32.3Very low35.5Very low175 Ų175141.8 Ų141.886%0.86275%0.75SS**  trans-153.7111.8149.6-169.371.4168.100110.2
1684T32.4Very low34.5Very low122 Ų122142 Ų14275%0.74876%0.762SS**  trans-95116.7-172.1-470000112
1685I33.9Very low34Very low153 Ų153142.1 Ų142.179%0.78576%0.756SS**  trans-138.6122.7158-58.4-177.4000108.8
1686S30Very low33.8Very low97 Ų97138.6 Ų138.668%0.67875%0.754SS**  trans-98.3135.6179.7-46.60000111.3
1687T33.8Very low33.6Very low141 Ų141138.7 Ų138.787%0.86576%0.758SS**  trans-169.9139.8134.3130000113.4
1688S30.7Very low33.3Very low99 Ų99138.1 Ų138.169%0.69277%0.769SS**  trans-46.8149171.647.30000118.7
1689T32.6Very low33.5Very low125 Ų125140.1 Ų140.177%0.76777%0.772SS**  trans166.995.9136.8-68.20000108.2
1690I35Very low33.3Very low137 Ų137138 Ų13870%0.70377%0.773SS**  91109.980.5-75166.8000114.5
1691I33.4Very low33.3Very low156 Ų156138 Ų13880%0.877%0.772SS**  trans68.3147.5150.3-67.1174.1000118.9
1692P35.2Very low33.1Very low120 Ų120137.3 Ų137.378%0.77977%0.768SS**  cis-112.3170.9-3.717.65000115.3
1693K34.8Very low33.1Very low172 Ų172133.5 Ų133.575%0.74876%0.761SS**  trans-105160.4167.1-67.3-179.2173.2-172.70111.7
1694T32.9Very low33.3Very low136 Ų136131.4 Ų131.483%0.83475%0.754SS**  -161.795.9127.319.40000110.7
1695D36Very low33.4Very low108 Ų108131.5 Ų131.558%0.57875%0.749SS**  43.4147.4110-52.8-17.2000119.6
1696T35.2Very low33.5Very low112 Ų112130.9 Ų130.969%0.68775%0.748SS**  cis-176.4165.7-13.131.90000106
1697N34.2Very low33.7Very low136 Ų136133 Ų13373%0.72775%0.75SS**  cis-163.9169.1-18.6-99.7-3.5000108
1698C28.9Very low33.8Very low133 Ų133131 Ų13190%0.89974%0.74SS**  trans-145.2127165.9-720000111.2
1699I34.8Very low33.9Very low161 Ų161133.6 Ų133.683%0.82675%0.745SS**  trans-145.5161.2173.6-60.3-176.8000107.9
1700S30.6Very low33.9Very low105 Ų105134.5 Ų134.573%0.73474%0.744SS**  trans-136.9164.5-178.8-50.50000111.4
1701I32.8Very low34Very low152 Ų152132.8 Ų132.878%0.77974%0.741SS**  trans155.4122.1149-82.2155.7000111.2
1702D32.1Very low33.8Very low143 Ų143132.6 Ų132.677%0.76574%0.742SS**  trans34.5151.2133.4-42-21.7000121.6
1703V34.5Very low33.6Very low120 Ų120133.9 Ų133.973%0.72774%0.742SS**  cis-169176.1-1.7120.50000111.8
1704D35.6Very low33.4Very low132 Ų132133 Ų13371%0.70675%0.746SS**  trans9596.2156.9-85.6-37.5000125.3
1705N34.7Very low33.5Very low123 Ų123131.7 Ų131.766%0.65874%0.737SS**  47.5128.4121.5-67.5-49.4000127.4
1706N35.4Very low33.2Very low141 Ų141136.3 Ų136.375%0.75476%0.755SS**  146112.3129.3-77.8-61.1000113.2
1707I33.9Very low32.9Very low142 Ų142135 Ų13573%0.72875%0.75SS**  80.9138.163.1-73.8175.2000113.5
1708P36.2Very low32.7Very low99 Ų99134.6 Ų134.664%0.64375%0.747SS**  cis-143-167.3-15.134.6-10.3000117.8
1709L32.6Very low32.9Very low153 Ų153132.8 Ų132.880%0.80173%0.727SS**  trans76.8149.8161.2-51176.1000118.6
1710I34Very low32.7Very low144 Ų144132 Ų13274%0.73873%0.725SS**  cis-150.6160.1-8.4-120.9163.6000109
1711P35.4Very low32.7Very low101 Ų101132.9 Ų132.966%0.65672%0.721SS**  trans-95.4171-170.539.2-36.4000115.3
1712D30.9Very low32.6Very low151 Ų151134.8 Ų134.881%0.80772%0.723SS**  trans-175.3134.6130.7-91.9-14.3000113.2
1713D29.6Very low32.4Very low148 Ų148135.3 Ų135.379%0.79173%0.726SS**  trans25.8160.4153-72.8-7.2000126.6
1714N31.2Very low32.3Very low153 Ų153136.3 Ų136.382%0.81873%0.726SS**  trans62.892.6169.3-77-42.4000118.6
1715V34.6Very low32Very low108 Ų108135.6 Ų135.666%0.65573%0.728SS**  -153.4112.3105.7176.80000109.5
1716H30.1Very low31.6Very low206 Ų206133 Ų13395%0.95473%0.73SS**  trans-110.780.5164.4-11965.8000109.2
1717S29.2Very low31.2Very low84 Ų84131.8 Ų131.859%0.58773%0.733SS**  trans-171.9161.8166.1530000112.6
1718I30Very low31Very low128 Ų128134.2 Ų134.266%0.65674%0.743SS**  trans59.383.6169.3-37.3178.9000115.7V389V389-I1718 WeakPolarHBondContact CG2-O 3.09Å
1719I33.4Very low30.6Very low94 Ų94137.5 Ų137.548%0.48275%0.75SS.*  -142.310587.2-67.2-155.8000108.6V389 E390V389-I1719 HydrophobicContact CG2-CG1 4.19Å; E390-I1719 HydrophobicContact CG-CB 4.38Å; E390-I1719 HydrophobicContact CG-CD1 3.78Å; E390-I1719 HydrophobicContact CG-CG1 3.67Å; E390-I1719 WeakPolarHBondContact OE2-CD1 3.15Å
1720D29.4Very low30.4Very low145 Ų145137.4 Ų137.478%0.77575%0.749SS**  trans-127.286.8163-161.8-7.8000108.6
1721L30.9Very low30.1Very low124 Ų124138.5 Ų138.565%0.64975%0.748SS**  trans-122.250.7-178.3-78.1-180000111.9I1724L1721-I1724 HydrophobicContact CD2-CD1 4.07Å; L1721-I1724 HydrophobicContact CD2-CG1 4.13Å
1722K31.3Very low29.9Very low191 Ų191139.7 Ų139.783%0.8376%0.759SS**SBendtrans-110.628.3162.7-101-176.9-178.8171.70114.1
1723N28.8Very low29.8Very low155 Ų155139 Ų13983%0.82976%0.755SS**  trans-15187164-89.2-42.6000111.9
1724I30.7Very low29.8Very low141 Ų141140.8 Ų140.872%0.72376%0.759SS**  trans-111.1113.8160.3-65.8-178.6000108.3L1721L1721-I1724 HydrophobicContact CD2-CD1 4.07Å; L1721-I1724 HydrophobicContact CD2-CG1 4.13Å
1725P29.1Very low29.8Very low117 Ų117141.2 Ų141.276%0.7676%0.756SS**  trans-88165.3170.536.5-34.1000111.5
1726G27.6Very low29.3Very low67 Ų67141.9 Ų141.969%0.69176%0.761SS**  trans84.9110.6154.400000117.5
1727S27Very low29.3Very low116 Ų116138.9 Ų138.981%0.81175%0.75SS**  trans36.6122139.9600000120.9
1728M29.1Very low29.2Very low193 Ų193142.4 Ų142.495%0.95176%0.757SS**  -142.8160.2119.9-119.9174.870.400111.9
1729Q28.9Very low29.2Very low168 Ų168143.2 Ų143.279%0.78576%0.763SS**  trans-91.8156.6-164-57168.83.700112
1730I27.8Very low28.9Very low151 Ų151145.5 Ų145.577%0.77478%0.776SS**  -178.3114.8108.6-89.1154.2000111.1
1731K27.7Very low28.8Very low168 Ų168147.5 Ų147.573%0.7378%0.781SS**  trans33.4116.7146.5-53180-177.5178.80120.2
1732S30.6Very low28.6Very low126 Ų126146.3 Ų146.388%0.88178%0.783SS**  trans-149.5103137.7-74.80000107.4
1733D28.9Very low28.4Very low135 Ų135142.8 Ų142.872%0.72278%0.782SS**  trans-78.3133.1-168.7-49.4-87.3000111.9
1734Q30.4Very low28.8Very low187 Ų187141.3 Ų141.387%0.87478%0.781SS**  -163.7142.9109-105.4166.214.500114.3
1735Q30.8Very low28.6Very low161 Ų161140.1 Ų140.175%0.75279%0.785SS**  trans-58.7130.2-166.7-68.1154.3-41.600114.5I1737Q1735-I1737 HydrophobicContact CB-CG1 4.03Å; Q1735-I1737 PolarHBondContact O-N 3.43Å
1736T24.7Very low28.6Very low123 Ų123141.2 Ų141.276%0.75579%0.785SS**  trans-55.7123.2139.1-50.60000108.5E1738T1736-E1738 HydrophobicContact CG2-CG 3.98Å
1737I29.7Very low28.8Very low142 Ų142145 Ų14573%0.72879%0.789SS**  trans-117.285.8158.6-57.2-176.5000107.5Q1735Q1735-I1737 HydrophobicContact CB-CG1 4.03Å; Q1735-I1737 PolarHBondContact O-N 3.43Å
1738E27.2Very low28.9Very low158 Ų158145.9 Ų145.974%0.73879%0.785SS**  trans-70.9123148.7-69.5177.1162.800107.1T1736T1736-E1738 HydrophobicContact CG2-CG 3.98Å
1739N28.8Very low29.2Very low146 Ų146142 Ų14278%0.78177%0.772SS**  -169.6151123.7-107.7-67.9000113.4
1740N26.8Very low29.3Very low142 Ų142140.4 Ų140.476%0.75977%0.768SS**  trans-77.6125.6-178.6-57.9-80.4000111.2
1741Q28.2Very low29.4Very low186 Ų186141.5 Ų141.587%0.86977%0.771SS**  trans-160.8102.5148.2-115.714698.800114.8
1742S26.5Very low29.5Very low99 Ų99139.4 Ų139.469%0.69277%0.772SS**  trans6.8123.9146.756.60000121.8
1743S27.5Very low29.5Very low118 Ų118138.7 Ų138.783%0.82577%0.767SS**  79156.4125.4-60.30000120.2
1744P36.8Very low29.7Very low124 Ų124138 Ų13881%0.80577%0.767SS**  trans-110.2165.3-152.641-34.5000115.8
1745S27.7Very low29.9Very low115 Ų115135.5 Ų135.580%0.80476%0.76SS**  trans-127.5151.615461.60000110.3
1746N27.2Very low30.1Very low140 Ų140134.7 Ų134.775%0.74976%0.76SS**  trans-80.8-166.7178.1-66.7-41000111.7
1747D32.1Very low30.6Very low147 Ų147134.9 Ų134.979%0.78676%0.761SS**  trans84.588.4159.9-51.8-40.3000114.9
1748N29.6Very low30.8Very low135 Ų135134.5 Ų134.572%0.72277%0.765SS**  89163.360.7-171.620.7000111.7
1749V34.8Very low31.2Very low111 Ų111132.4 Ų132.467%0.67376%0.763SS**  trans78.280.2-179.6-164.40000115.4
1750N30.8Very low31.5Very low134 Ų134131.1 Ų131.172%0.71776%0.756SS**  32.7156.9111.6-59.2-31.8000121.5
1751Q31.3Very low31.8Very low175 Ų175131.6 Ų131.682%0.81875%0.754SS**  trans86.6148163.4-54.6-175.411.100117
1752T29.1Very low32.2Very low124 Ų124130.2 Ų130.276%0.76175%0.752SS**  -175.4132.6-57.325.80000110.2
1753S31.1Very low32.5Very low110 Ų110134 Ų13477%0.76976%0.759SS**  trans73.8161.2149-150.60000120.5
1754V33.1Very low33Very low120 Ų120132.8 Ų132.873%0.72775%0.748SS**  trans72.9135.6161.4-177.20000116.8
1755D34.3Very low32.7Very low135 Ų135132.8 Ų132.872%0.72275%0.746SS**  cis-159.1173.6-22.9-110-22.6000113.4
1756L34.9Very low32.7Very low145 Ų145134.3 Ų134.376%0.75974%0.744SS**  trans-30.5172.9171.1-63.7154.7000122.6
1757T35.3Very low32.8Very low127 Ų127132.3 Ų132.378%0.77974%0.741SS**  trans101.8149155.267.40000118.7
1758V34.8Very low32.7Very low133 Ų133130.6 Ų130.681%0.80674%0.741SS**  cis153.3140.8-26.2140.30000109.2
1759V34.7Very low33Very low115 Ų115132 Ų13270%0.69775%0.747SS**  cis-172.3179.7-15.472.80000109.4
1760N34.8Very low33.2Very low118 Ų118132.3 Ų132.363%0.63175%0.752SS**  trans70.1162.7168.3-77.526000116.9
1761E33Very low33.3Very low153 Ų153129.4 Ų129.472%0.71575%0.753SS**  cis-160.5-177.3-19.4-117.5172.6156.700110.7
1762D36Very low33.5Very low156 Ų156127.8 Ų127.883%0.83475%0.749SS**  trans88.6157.4147.3-85-29.6000124.6
1763Q32.9Very low33.7Very low178 Ų178128.2 Ų128.283%0.83275%0.746SS**  trans-111.8-161.1-165.6-133.5-174.861.700108.9
1764P39.6Very low33.8Very low94 Ų94129.5 Ų129.561%0.6175%0.745SS**  cis-142.8-174.9-19.234.5-11.5000116.9
1765V29.7Very low33.7Very low123 Ų123128.2 Ų128.275%0.74574%0.741SS**  trans87144130.4127.40000124.4
1766L28Very low33.5Very low147 Ų147130.5 Ų130.577%0.7775%0.747SS**  trans54.1108159.9-75.2168.1000120.4
1767S28.4Very low33.8Very low98 Ų98128.7 Ų128.769%0.68574%0.744SS**  105.9157.794.679.20000112.1
1768S29.9Very low33.8Very low112 Ų112127.4 Ų127.478%0.78374%0.738SS**  cis-141.6168.36.3-65.10000112.6
1769L36.7Very low33.4Very low164 Ų164128.4 Ų128.486%0.85974%0.737SS**  trans-62.9179.4160.6-83107.1000112.9
1770P39.6Very low33Very low118 Ų118127 Ų12777%0.76674%0.738SS**  cis-122.1168.50.225.5-2.3000114
1771G32.4Very low32.6Very low72 Ų72127.7 Ų127.774%0.74275%0.746SS**  116.6163.189.500000109.4
1772I34.8Very low32.4Very low142 Ų142125.3 Ų125.373%0.72875%0.745SS**  cis-147129.60.5-113.8166.7000107.5
1773D33.3Very low32Very low132 Ų132124 Ų12471%0.70675%0.748SS**  trans56.9154.3143.5-42-22.1000120.4
1774D33.4Very low31.8Very low138 Ų138118.5 Ų118.574%0.73874%0.74SS**  cis-151.4172.68.7-145.3-21.8000114.3
1775S31.7Very low31.2Very low93 Ų93121.4 Ų121.465%0.6575%0.75SS**  trans15.7123.4155.655.10000119.3
1776H30.6Very low31.2Very low183 Ų183122.4 Ų122.485%0.84775%0.75SS**  cis67.1155.820.5-97.9-28.8000115.5
1777P41.4Very low31.1Very low107 Ų107119.8 Ų119.870%0.69574%0.744SS**  trans-110.2-123.1-134.127-3.6000110.7
1778P35.1Very low31Very low100 Ų100122 Ų12265%0.64975%0.747SS**  cis-137.2-169.5-28.937.5-16.4000114.6
1779L25.8Very low30.9Very low153 Ų153124.2 Ų124.280%0.80175%0.748SS**  trans45.8112.2140.4-74.7162.9000122.1
1780A26.6Very low30.6Very low85 Ų85125.3 Ų125.370%0.70275%0.746SS**  69.9-175121.700000120.1
1781V26.9Very low30.6Very low133 Ų133124.9 Ų124.981%0.80674%0.743SS**  trans75.8135.7172.4-173.90000115.3
1782C27.2Very low30.4Very low104 Ų104127.2 Ų127.270%0.70374%0.743SS**  cis-169.3160.1-28.4-104.10000107.9
1783S28.1Very low30.2Very low128 Ų128125.2 Ų125.290%0.89574%0.741SS**  trans64.1164.7160.7-55.40000116.4
1784G28.5Very low30.1Very low63 Ų63127.1 Ų127.165%0.64975%0.746SS**  cis152.5140.4-11.600000112.6
1785D27.6Very low29.9Very low154 Ų154127.9 Ų127.982%0.82475%0.747SS**  trans68.2125.8156.4-63.7-13.9000122.6
1786L28.3Very low30Very low144 Ų144129.9 Ų129.975%0.75475%0.75SS**  trans66.8100.4137.9-86.473.3000121.6
1787S27.1Very low30.2Very low93 Ų93127.3 Ų127.365%0.6575%0.747SS**  99146.110480.50000121.9
1788I27Very low30.3Very low144 Ų144128.1 Ų128.174%0.73875%0.753SS**  trans76.7108.9141.4-74.4162.4000119.9
1789I27.4Very low30.2Very low158 Ų158126.7 Ų126.781%0.8176%0.756SS**  trans83.9134.5143.1-69.3174.3000121.6
1790K30.2Very low30.5Very low188 Ų188127.5 Ų127.582%0.81776%0.761SS**  trans-37.4178159.5-67.3179179.6-1790117
1791P39.7Very low30.6Very low108 Ų108128 Ų12870%0.70176%0.76SS**  cis-140.9-167.7-36.937.5-17.1000113.4
1792V28.9Very low30.8Very low122 Ų122128.1 Ų128.174%0.73976%0.761SS**  trans47.5114.1137.2166.40000120.8
1793S29.8Very low31.2Very low99 Ų99127.2 Ų127.269%0.69276%0.761SS**  trans59.5140.9132.3-53.30000125.1
1794E30.2Very low31.9Very low172 Ų172126.3 Ų126.380%0.80475%0.752SS**  trans73.2104140.8-75.1175179.800122.9
1795M30.4Very low32Very low155 Ų155129.4 Ų129.476%0.76476%0.758SS**  76.2132.6114.9-158.7144.266.700122
1796N33.4Very low32.1Very low134 Ų134126.3 Ų126.372%0.71775%0.748SS**  trans81.5104.3161.9-64.2-26.1000122.4
1797V34.1Very low32.2Very low129 Ų129127.6 Ų127.678%0.78275%0.75SS**  48.6136.7105172.30000119.7
1798P44.7Very low32.9Very low125 Ų125131.8 Ų131.881%0.81276%0.759SS**  cis-139.8-165-29.241.4-21.1000113.7
1799G31.9Very low33.7Very low69 Ų69129 Ų12971%0.71175%0.751SS**  trans129.4105.2142.400000121.8
1800D31.7Very low34.1Very low170 Ų170128 Ų12891%0.90975%0.747SS**  trans50.5145.7137.9-85.3-32.1000127.3
1801S30.3Very low34.2Very low97 Ų97125 Ų12568%0.67874%0.74SS**  trans93.498.5137.9179.40000123.2
1802T30.9Very low33.9Very low135 Ų135125.2 Ų125.283%0.82874%0.739SS**  87.8134.6124.7-47.50000121.4
1803A35.7Very low33.9Very low85 Ų85125.5 Ų125.570%0.70274%0.736SS**  trans-90-152-178.600000111.4
1804P42.3Very low34.2Very low109 Ų109129.7 Ų129.771%0.70874%0.743SS**  cis-144.1178.20.845.2-26.6000117.7
1805V31Very low34.5Very low128 Ų128127 Ų12778%0.77674%0.74SS**  trans60.9147.7138.5162.90000118.1
1806S29.2Very low34.4Very low89 Ų89127.4 Ų127.462%0.62274%0.744SS**  cis-159.5164.736.37.60000114.5
1807E29.8Very low34.1Very low170 Ų170126.1 Ų126.179%0.79475%0.752SS**  trans44124.6137.4-61.8144.3-131.400120
1808H42.7Very low33.7Very low181 Ų181125.2 Ų125.284%0.83875%0.752SS**  cis60.7158.544.2-126.126.2000111.9
1809P43.9Very low32.9Very low87 Ų87123.4 Ų123.457%0.56575%0.747SS**  cis-146.1-170.811.543.6-23.2000116.7
1810N34.7Very low32.8Very low135 Ų135127.8 Ų127.872%0.72275%0.753SS**  trans70.9161141.7-72.8-23.6000122.5
1811N33.1Very low33.2Very low127 Ų127125 Ų12568%0.67974%0.744SS**  cis-179.3-167.9-30.5-162.7-12.8000107.8
1812V33Very low33.8Very low112 Ų112125.8 Ų125.868%0.67975%0.747SS**  trans93.282.4155.5-162.70000118
1813N30.1Very low34.3Very low127 Ų127124.9 Ų124.968%0.67974%0.743SS**  60.7126.1124.1-57.2-19.7000123
1814F36.3Very low34Very low188 Ų188127.9 Ų127.983%0.82575%0.747SS**  19.2142.4113.4-64.7-75000119
1815P36Very low33.6Very low116 Ų116128 Ų12875%0.75375%0.746SS**  cis-148.3-166.148.743.6-23.6000117.3
1816L27.9Very low33.8Very low162 Ų162127.6 Ų127.685%0.84875%0.749SS**  trans-52.3148.5173.7-56.566.8000113.4
1817A27.3Very low34.2Very low107 Ų107133 Ų13388%0.88476%0.761SS**  -170.5165.7127.200000112.8
1818S26.2Very low34.6Very low110 Ų110130.9 Ų130.977%0.76976%0.762SS**  trans-96.8146.8-169.656.60000116
1819A27.4Very low34.3Very low87 Ų87128.8 Ų128.872%0.71976%0.757SS**  trans75.2159.213400000122.7
1820I29.3Very low33.9Very low161 Ų161130 Ų13083%0.82676%0.759SS**  trans86.8119.2160-60.6154.2000118.6
1821P40.5Very low34.1Very low111 Ų111131.2 Ų131.272%0.72176%0.76SS**  trans-99.8-172.3164.841-34.7000112.1
1822P43.8Very low34.2Very low115 Ų115130.4 Ų130.475%0.74776%0.763SS**  cis-106.9-132.6-7.339.7-22.6000111.3
1823P39.5Very low34.3Very low116 Ų116130.7 Ų130.775%0.75376%0.764SS**  cis-97.3-176.515.17.816.8000113.7
1824D31Very low34.6Very low147 Ų147134 Ų13479%0.78677%0.773SS**  cis100.2147.29.2-15620.4000118.7
1825V32.9Very low34.4Very low112 Ų112136.1 Ų136.168%0.67978%0.775SS**  trans92.8113.7161.5-171.40000122.4
1826S35.3Very low34.5Very low119 Ų119138.6 Ų138.683%0.83278%0.781SS**  trans98.9141.7142.772.20000123.8
1827K37.7Very low34.6Very low203 Ų203137.8 Ų137.888%0.88378%0.777SS**  trans-123.1156.9178.4-69.3-178.7176.4-179.80111.9
1828P38.7Very low34.9Very low125 Ų125136.9 Ų136.981%0.81277%0.77SS**  trans-141.7162.2130.532.1-15.6000113.9
1829D36.9Very low35.3Very low138 Ų138138.7 Ų138.774%0.73877%0.769SS**  cis-163.2-158.8-23.3-164.854.3000111.2
1830N35.4Very low35.3Very low113 Ų113140.4 Ų140.460%0.60478%0.776SS**  trans-67162.5-174.8-62.8-69000115.6
1831H38.4Very low35.4Very low159 Ų159138 Ų13874%0.73677%0.772SS**  -167146.750.4-101.4-74000115.5
1832C34.9Very low35.1Very low111 Ų111138.5 Ų138.575%0.7577%0.773SS**  trans64.9145.1141.8-69.80000121.2
1833V34.5Very low34.6Very low117 Ų117139.3 Ų139.371%0.70978%0.779SS**  cis-162169.4-6.2110.10000111.7
1834K36.6Very low34.4Very low196 Ų196141.8 Ų141.885%0.85278%0.782SS**  trans7576.4173.3-79.9157.1-175.2172.20118.2
1835R32.6Very low34.3Very low234 Ų234140.4 Ų140.488%0.88378%0.784SS**  trans-91.1153.6139.9-76.3-175.8177.9171.70.5109.6
1836I37.3Very low34.4Very low168 Ų168140.9 Ų140.986%0.86279%0.792SS**  trans-104.6110163.8-64.2178000107.8
1837N31Very low34.3Very low145 Ų145140.4 Ų140.478%0.77579%0.789SS**  trans-93.4139.5170.2-75-5000109.7
1838A33.2Very low34.2Very low88 Ų88140.1 Ų140.173%0.72779%0.787SS**  trans-147.872.2170.400000112.3
1839I34.6Very low34Very low148 Ų148139.1 Ų139.176%0.75978%0.784SS**  trans59.195.3145.3-53.2163.7000116.4C1841I1839-C1841 HydrophobicContact CG2-CB 3.74Å
1840S27.4Very low33.8Very low122 Ų122143.2 Ų143.285%0.85379%0.79SS**  -82.2133.9127.651.20000108.3
1841C31.4Very low33.8Very low111 Ų111144.4 Ų144.475%0.7579%0.792SS**  trans-144.8134.2168.2-92.30000110.6I1839I1839-C1841 HydrophobicContact CG2-CB 3.74Å
1842T33.7Very low33.8Very low122 Ų122146.1 Ų146.175%0.74879%0.792SS**  trans-75.2166.9164.345.90000111
1843P33.7Very low34Very low132 Ų132146.4 Ų146.486%0.85779%0.786SS**  trans-114.6106.5142.832.4-24.4000109.6
1844M34.4Very low34.4Very low168 Ų168149 Ų14983%0.82880%0.796SS**  trans-77.4162.1160.7-87.3-174.167.400110.8S1846M1844-S1846 PolarHBondContact O-N 2.89Å
1845S30.2Very low34.9Very low117 Ų117143.3 Ų143.382%0.81878%0.781SS**  trans-41.7129.4-178.5-50.30000115.5
1846S35.5Very low35.8Very low122 Ų122136.8 Ų136.885%0.85377%0.768SS**  trans-134.7131146.762.30000109.2M1844M1844-S1846 PolarHBondContact O-N 2.89Å
1847S31.3Very low36.4Very low109 Ų109135.9 Ų135.976%0.76276%0.764SS**  trans-91.1131.4-168.3-450000112.1
1848K35.7Very low37.3Very low197 Ų197136.9 Ų136.986%0.85776%0.761SS**  trans171.9157.8139.7-93.5149.6-169.71770112.3
1849S35.2Very low38.8Very low105 Ų105134.9 Ų134.973%0.73474%0.739SS**  trans49102.4165.448.70000118.1
1850Y33.6Very low40.5Very low224 Ų224135.2 Ų135.288%0.87873%0.731SS**  82.3121.278.5-97.7-101.3000115.9
1851E35.5Very low43Very low138 Ų138131.2 Ų131.265%0.64571%0.71SS**  trans65.1133.9166.3-59.9-158.8157.500122.1
1852R36.9Very low45Very low195 Ų195133.6 Ų133.674%0.73670%0.703SS**  trans65.7120.8166.2-60.4175-168.569.19.5117.9
1853N39.3Very low47.2Very low117 Ų117135.6 Ų135.663%0.62670%0.697SS**  168.774.4122.1-84.2-33.3000114.1S1855 T1856N1853-S1855 PolarHBondContact O-N 3.26Å; N1853-T1856 HydrophobicContact CB-CG2 4.4Å
1854D43.5Very low49.4Very low170 Ų170134.8 Ų134.891%0.90968%0.681SS**THydrogen-bonded Turntrans-70.1-3.4172.9-69.6-59.4000114.7
1855S47.6Very low51.7Low78 Ų78135.7 Ų135.755%0.54568%0.676SS.*THydrogen-bonded Turntrans-77.8-17.5-174.852.40000114.9N1853N1853-S1855 PolarHBondContact O-N 3.26Å
1856T52Low54.2Low97 Ų97132.5 Ų132.560%0.59566%0.656SS**Hα-helixtrans-78.8-33.5-163.855.20000114.5N1853 F1858 D1859N1853-T1856 HydrophobicContact CB-CG2 4.4Å; T1856-F1858 PolarHBondContact O-N 2.87Å; T1856-D1859 PolarHBondContact O-N 2.72Å
1857L48.2Very low56.7Low149 Ų149132 Ų13278%0.7864%0.64SS**Hα-helixtrans-66.8-37.6-175.3-162.474.5000112.6D1859 Y1860L1857-D1859 PolarHBondContact O-N 2.94Å; L1857-Y1860 PolarHBondContact O-N 3.1Å
1858F50Low59.2Low165 Ų165129 Ų12972%0.72462%0.622SS**Hα-helixtrans-63.5-31.3179.9-131.9-89.9000112.3T1856 G1861 R1862T1856-F1858 PolarHBondContact O-N 2.87Å; F1858-G1861 PolarHBondContact O-N 2.67Å; F1858-R1862 PolarHBondContact O-N 2.71Å; F1858-R1862 VanDerWaalsContact O-N 3.09Å
1859D65Low61.7Low47 Ų47123.1 Ų123.125%0.25160%0.6SS.*Hα-helixtrans-83.1-20.7-174.9-120.338.9000113.8T1856 L1857 R1862 R1863T1856-D1859 PolarHBondContact O-N 2.72Å; L1857-D1859 PolarHBondContact O-N 2.94Å; D1859-R1862 IonicContact OD1-CZ 3.26Å; D1859-R1862 VanDerWaalsContact OD1-CZ 3.26Å; D1859-R1862 IonicContact OD1-NE 2.95Å; D1859-R1862 PolarHBondContact OD1-NE 3.43Å; D1859-R1862 IonicContact OD1-NH2 2.72Å; D1859-R1862 PolarHBondContact OD1-NH2 2.87Å; D1859-R1863 WeakPolarHBondContact O-CB 3.26Å; D1859-R1863 WeakPolarHBondContact O-CG 3.29Å; D1859-R1863 PolarHBondContact O-N 3.42Å; D1859-R1863 PolarHBondContact O-NE 3.44Å; D1859-R1863 IonicContact OD2-CZ 3.83Å; D1859-R1863 IonicContact OD2-NH2 2.84Å; D1859-R1863 PolarHBondContact OD2-NH2 2.85Å
1860Y70.3Confident64.1Low154 Ų154127 Ų12760%0.60460%0.599SS**Hα-helixtrans-70-42.1167-163.7-105000110.8L1857 R1862 R1863 Q1864L1857-Y1860 PolarHBondContact O-N 3.1Å; Y1860-R1862 PolarHBondContact O-N 2.63Å; Y1860-R1863 PolarHBondContact O-N 3.24Å; Y1860-Q1864 HydrophobicContact CD1-CG 4.44Å; Y1860-Q1864 HydrophobicContact CE1-CG 4.18Å; Y1860-Q1864 PolarHBondContact O-N 2.93Å
1861G79.5Confident66.7Low39 Ų39120.7 Ų120.740%0.40258%0.577SS.*Hα-helixtrans-60.4-42.6172.300000112.9F1858 R1865F1858-G1861 PolarHBondContact O-N 2.67Å; G1861-R1865 WeakPolarHBondContact O-CB 3.18Å; G1861-R1865 PolarHBondContact O-N 2.82Å
1862R74.6Confident69.1Low160 Ų160122.3 Ų122.360%0.60458%0.577SS**Hα-helixtrans-63-43.6171.8-77-162.8-76.4-142.8-1.4112.4F1858 D1859 Y1860 R1865 A1866F1858-R1862 PolarHBondContact O-N 2.71Å; F1858-R1862 VanDerWaalsContact O-N 3.09Å; D1859-R1862 IonicContact OD1-CZ 3.26Å; D1859-R1862 VanDerWaalsContact OD1-CZ 3.26Å; D1859-R1862 IonicContact OD1-NE 2.95Å; D1859-R1862 PolarHBondContact OD1-NE 3.43Å; D1859-R1862 IonicContact OD1-NH2 2.72Å; D1859-R1862 PolarHBondContact OD1-NH2 2.87Å; Y1860-R1862 PolarHBondContact O-N 2.63Å; R1862-R1865 PolarHBondContact O-N 3.3Å; R1862-A1866 VanDerWaalsContact O-CB 3.32Å; R1862-A1866 WeakPolarHBondContact O-CB 3.38Å; R1862-A1866 PolarHBondContact O-N 2.96Å
1863R80.2Confident71.7Confident164 Ų164117.1 Ų117.162%0.61957%0.567SS**Hα-helixtrans-64.5-42.5178.2-82.2172.5-117-142.6-8.7113.2D1859 Y1860 A1866 H1867D1859-R1863 WeakPolarHBondContact O-CB 3.26Å; D1859-R1863 WeakPolarHBondContact O-CG 3.29Å; D1859-R1863 PolarHBondContact O-N 3.42Å; D1859-R1863 PolarHBondContact O-NE 3.44Å; D1859-R1863 IonicContact OD2-CZ 3.83Å; D1859-R1863 IonicContact OD2-NH2 2.84Å; D1859-R1863 PolarHBondContact OD2-NH2 2.85Å; Y1860-R1863 PolarHBondContact O-N 3.24Å; R1863-A1866 PolarHBondContact O-N 2.99Å; R1863-H1867 WeakPolarHBondContact O-CB 3.47Å; R1863-H1867 PolarHBondContact O-N 2.93Å
1864Q80Confident74.2Confident115 Ų115118.1 Ų118.154%0.53757%0.566SS.*Hα-helixtrans-63.2-43.4173.2-76.5-165.4-1500112Y1860 A1866 H1867 A1868Y1860-Q1864 HydrophobicContact CD1-CG 4.44Å; Y1860-Q1864 HydrophobicContact CE1-CG 4.18Å; Y1860-Q1864 PolarHBondContact O-N 2.93Å; Q1864-A1866 VanDerWaalsContact C-N 3.35Å; Q1864-A1866 PolarHBondContact O-N 3.09Å; Q1864-H1867 PolarHBondContact O-N 3.07Å; Q1864-A1868 WeakPolarHBondContact O-CB 3.37Å; Q1864-A1868 PolarHBondContact O-N 2.98Å
1865R81.5Confident76.3Confident188 Ų188113.8 Ų113.871%0.70954%0.54SS*.Hα-helixtrans-64.3-38.6177-165.7176.7-66.9-172.7-0.2112G1861 R1862 N1869G1861-R1865 WeakPolarHBondContact O-CB 3.18Å; G1861-R1865 PolarHBondContact O-N 2.82Å; R1862-R1865 PolarHBondContact O-N 3.3Å; R1865-N1869 WeakPolarHBondContact O-CB 3.5Å; R1865-N1869 VanDerWaalsContact O-CG 3.26Å; R1865-N1869 PolarHBondContact O-N 3.36Å; R1865-N1869 PolarHBondContact O-OD1 3.28Å
1866A82.6Confident78.2Confident49 Ų49116.6 Ų116.641%0.40554%0.542SS..Hα-helixtrans-67.1-40.1174.100000112.6R1862 R1863 Q1864 N1869 R1870R1862-A1866 VanDerWaalsContact O-CB 3.32Å; R1862-A1866 WeakPolarHBondContact O-CB 3.38Å; R1862-A1866 PolarHBondContact O-N 2.96Å; R1863-A1866 PolarHBondContact O-N 2.99Å; Q1864-A1866 VanDerWaalsContact C-N 3.35Å; Q1864-A1866 PolarHBondContact O-N 3.09Å; A1866-N1869 PolarHBondContact O-N 2.75Å; A1866-R1870 WeakPolarHBondContact O-CG 3.29Å; A1866-R1870 PolarHBondContact O-N 3.34Å
1867H87.6Confident79.9Confident112 Ų112115.1 Ų115.152%0.51953%0.531SS..Hα-helixtrans-64.1-46.5173.7-179.7-107.8000111.5R1863 Q1864 N1869 R1870 Q1871R1863-H1867 WeakPolarHBondContact O-CB 3.47Å; R1863-H1867 PolarHBondContact O-N 2.93Å; Q1864-H1867 PolarHBondContact O-N 3.07Å; H1867-N1869 VanDerWaalsContact C-N 3.29Å; H1867-N1869 PolarHBondContact O-N 2.79Å; H1867-R1870 PolarHBondContact O-N 3.2Å; H1867-R1870 VanDerWaalsContact O-N 3.13Å; H1867-Q1871 PolarHBondContact CE1-NE2 3.32Å; H1867-Q1871 PolarHBondContact NE2-NE2 3.21Å; H1867-Q1871 WeakPolarHBondContact O-CG 3.39Å; H1867-Q1871 PolarHBondContact O-N 2.77Å
1868A84.9Confident82Confident47 Ų47113.5 Ų113.539%0.38852%0.515SS..Hα-helixtrans-60.3-37.717500000112.3Q1864 R1872Q1864-A1868 WeakPolarHBondContact O-CB 3.37Å; Q1864-A1868 PolarHBondContact O-N 2.98Å; A1868-R1872 WeakPolarHBondContact O-CG 3.32Å; A1868-R1872 PolarHBondContact O-N 2.88Å
1869N87.2Confident83.9Confident72 Ų72109 Ų10939%0.38550%0.497SS..Hα-helixtrans-64.2-46.2171.8-74.82.5000111.8R1865 A1866 H1867 Q1871 R1872 V1873R1865-N1869 WeakPolarHBondContact O-CB 3.5Å; R1865-N1869 VanDerWaalsContact O-CG 3.26Å; R1865-N1869 PolarHBondContact O-N 3.36Å; R1865-N1869 PolarHBondContact O-OD1 3.28Å; A1866-N1869 PolarHBondContact O-N 2.75Å; H1867-N1869 VanDerWaalsContact C-N 3.29Å; H1867-N1869 PolarHBondContact O-N 2.79Å; N1869-Q1871 VanDerWaalsContact C-N 3.31Å; N1869-Q1871 PolarHBondContact O-N 2.95Å; N1869-R1872 PolarHBondContact O-N 3.06Å; N1869-R1872 VanDerWaalsContact O-N 3.17Å; N1869-R1872 PolarHBondContact OD1-NH2 3.49Å; N1869-V1873 WeakPolarHBondContact O-CG2 3.08Å; N1869-V1873 PolarHBondContact O-N 3.11Å
1870R86.6Confident85.1Confident188 Ų188112.2 Ų112.271%0.70951%0.506SS*.Hα-helixtrans-60.5-37.7176.7-74.4178.7177.9-166-1.6112.8A1866 H1867 K1874A1866-R1870 WeakPolarHBondContact O-CG 3.29Å; A1866-R1870 PolarHBondContact O-N 3.34Å; H1867-R1870 PolarHBondContact O-N 3.2Å; H1867-R1870 VanDerWaalsContact O-N 3.13Å; R1870-K1874 WeakPolarHBondContact O-CG 3.14Å; R1870-K1874 PolarHBondContact O-N 2.74Å
1871Q88.4Confident85.9Confident91 Ų91112.6 Ų112.643%0.42551%0.506SS..Hα-helixtrans-69.4-39.9174.6-62.5-651.200111.9H1867 N1869 V1873 K1874 E1875H1867-Q1871 PolarHBondContact CE1-NE2 3.32Å; H1867-Q1871 PolarHBondContact NE2-NE2 3.21Å; H1867-Q1871 WeakPolarHBondContact O-CG 3.39Å; H1867-Q1871 PolarHBondContact O-N 2.77Å; N1869-Q1871 VanDerWaalsContact C-N 3.31Å; N1869-Q1871 PolarHBondContact O-N 2.95Å; Q1871-V1873 PolarHBondContact O-N 3.24Å; Q1871-K1874 PolarHBondContact O-N 3.28Å; Q1871-E1875 WeakPolarHBondContact O-CB 3.4Å; Q1871-E1875 PolarHBondContact O-N 3.32Å
1872R86.4Confident86.3Confident172 Ų172114 Ų11465%0.64950%0.503SS*.Hα-helixtrans-64.1-37.2174.2-73.8-169.5-67.6176.51.4113.2A1868 N1869 F1876A1868-R1872 WeakPolarHBondContact O-CG 3.32Å; A1868-R1872 PolarHBondContact O-N 2.88Å; N1869-R1872 PolarHBondContact O-N 3.06Å; N1869-R1872 VanDerWaalsContact O-N 3.17Å; N1869-R1872 PolarHBondContact OD1-NH2 3.49Å; R1872-F1876 WeakPolarHBondContact O-CB 3.41Å; R1872-F1876 PolarHBondContact O-N 2.71Å
1873V90.3Very high86.8Confident85 Ų85110.6 Ų110.652%0.51549%0.493SS..Hα-helixtrans-65.4-48.3173.1173.30000110.8N1869 Q1871 E1875 F1876 D1877N1869-V1873 WeakPolarHBondContact O-CG2 3.08Å; N1869-V1873 PolarHBondContact O-N 3.11Å; Q1871-V1873 PolarHBondContact O-N 3.24Å; V1873-E1875 VanDerWaalsContact C-N 3.27Å; V1873-E1875 PolarHBondContact O-N 2.91Å; V1873-F1876 WeakPolarHBondContact O-CB 3.45Å; V1873-F1876 PolarHBondContact O-N 3.46Å; V1873-F1876 VanDerWaalsContact O-N 3.11Å; V1873-D1877 PolarHBondContact O-N 3.29Å
1874K91.4Very high87Confident138 Ų138105.5 Ų105.560%0.648%0.478SS*.Hα-helixtrans-56.7-39.6175.9-77.4-177.2173.7-1690113.3R1870 Q1871 D1877 R1878R1870-K1874 WeakPolarHBondContact O-CG 3.14Å; R1870-K1874 PolarHBondContact O-N 2.74Å; Q1871-K1874 PolarHBondContact O-N 3.28Å; K1874-D1877 PolarHBondContact O-N 3.33Å; K1874-R1878 PolarHBondContact O-N 3.39Å
1875E88.1Confident87.1Confident80 Ų80106.3 Ų106.337%0.37448%0.483SS..Hα-helixtrans-72.2-36.9177.8-175.366.1171.200111.8Q1871 V1873 R1878 I1879Q1871-E1875 WeakPolarHBondContact O-CB 3.4Å; Q1871-E1875 PolarHBondContact O-N 3.32Å; V1873-E1875 VanDerWaalsContact C-N 3.27Å; V1873-E1875 PolarHBondContact O-N 2.91Å; E1875-R1878 WeakPolarHBondContact O-CB 3.38Å; E1875-R1878 PolarHBondContact O-N 2.88Å; E1875-R1878 IonicContact OE1-CZ 2.71Å; E1875-R1878 IonicContact OE1-NE 3.57Å; E1875-R1878 IonicContact OE1-NH2 2.74Å; E1875-R1878 PolarHBondContact OE1-NH2 3.49Å; E1875-R1878 IonicContact OE2-CZ 2.66Å; E1875-R1878 IonicContact OE2-NE 2.68Å; E1875-R1878 PolarHBondContact OE2-NE 2.97Å; E1875-R1878 IonicContact OE2-NH2 3.77Å; E1875-R1878 PolarHBondContact OE2-NH2 2.87Å; E1875-I1879 HydrophobicContact CG-CD1 4.07Å; E1875-I1879 VanDerWaalsContact O-CG1 3.3Å; E1875-I1879 WeakPolarHBondContact O-CG1 3.43Å; E1875-I1879 PolarHBondContact O-N 3.45Å
1876F87.8Confident87.1Confident136 Ų136104.2 Ų104.260%0.59648%0.479SS*.Hα-helixtrans-61.8-43.5170.5-172.6-96.6000111.6R1872 V1873 R1878 I1879 R1880R1872-F1876 WeakPolarHBondContact O-CB 3.41Å; R1872-F1876 PolarHBondContact O-N 2.71Å; V1873-F1876 WeakPolarHBondContact O-CB 3.45Å; V1873-F1876 PolarHBondContact O-N 3.46Å; V1873-F1876 VanDerWaalsContact O-N 3.11Å; F1876-R1878 VanDerWaalsContact C-N 3.27Å; F1876-R1878 PolarHBondContact O-N 2.8Å; F1876-I1879 PolarHBondContact O-N 3.3Å; F1876-R1880 WeakPolarHBondContact O-CB 3.36Å; F1876-R1880 PolarHBondContact O-N 3.19Å
1877D88.3Confident86.8Confident66 Ų66107.2 Ų107.235%0.35348%0.48SS..Hα-helixtrans-66.7-25.9174.8-65.3-31000113V1873 K1874 R1881V1873-D1877 PolarHBondContact O-N 3.29Å; K1874-D1877 PolarHBondContact O-N 3.33Å; D1877-R1881 WeakPolarHBondContact O-CB 3.42Å; D1877-R1881 WeakPolarHBondContact O-CG 3.27Å; D1877-R1881 PolarHBondContact O-N 2.79Å; D1877-R1881 PolarHBondContact O-NE 2.65Å
1878R92.3Very high86.2Confident116 Ų116112 Ų11244%0.43849%0.494SS..Hα-helixtrans-73-50171.2-17317773.398.4-10.2110.2K1874 E1875 F1876 R1880 R1881 E1882K1874-R1878 PolarHBondContact O-N 3.39Å; E1875-R1878 WeakPolarHBondContact O-CB 3.38Å; E1875-R1878 PolarHBondContact O-N 2.88Å; E1875-R1878 IonicContact OE1-CZ 2.71Å; E1875-R1878 IonicContact OE1-NE 3.57Å; E1875-R1878 IonicContact OE1-NH2 2.74Å; E1875-R1878 PolarHBondContact OE1-NH2 3.49Å; E1875-R1878 IonicContact OE2-CZ 2.66Å; E1875-R1878 IonicContact OE2-NE 2.68Å; E1875-R1878 PolarHBondContact OE2-NE 2.97Å; E1875-R1878 IonicContact OE2-NH2 3.77Å; E1875-R1878 PolarHBondContact OE2-NH2 2.87Å; F1876-R1878 VanDerWaalsContact C-N 3.27Å; F1876-R1878 PolarHBondContact O-N 2.8Å; R1878-R1880 PolarHBondContact O-N 3.49Å; R1878-R1881 PolarHBondContact O-N 3.08Å; R1878-E1882 IonicContact CZ-OE1 2.77Å; R1878-E1882 IonicContact NH1-OE1 2.76Å; R1878-E1882 PolarHBondContact NH1-OE1 3.24Å; R1878-E1882 PolarHBondContact O-N 2.95Å
1879I89.9Confident85.4Confident70 Ų70117.8 Ų117.836%0.35952%0.524SS..Hα-helixtrans-62.7-43179.6-67.6166000111.2E1875 F1876 R1881 E1882 Q1883E1875-I1879 HydrophobicContact CG-CD1 4.07Å; E1875-I1879 VanDerWaalsContact O-CG1 3.3Å; E1875-I1879 WeakPolarHBondContact O-CG1 3.43Å; E1875-I1879 PolarHBondContact O-N 3.45Å; F1876-I1879 PolarHBondContact O-N 3.3Å; I1879-R1881 PolarHBondContact O-N 2.96Å; I1879-E1882 PolarHBondContact O-N 3.44Å; I1879-Q1883 WeakPolarHBondContact O-CG 3.24Å; I1879-Q1883 PolarHBondContact O-N 3.11Å
1880R89.4Confident85.3Confident115 Ų115120.1 Ų120.143%0.43453%0.531SS..Hα-helixtrans-61.2-43.3175.2-171.3179-179.5-172.56.4111.1E1214 F1876 R1878 Q1883 L1884E1214-R1880 IonicContact OE1-CZ 2.77Å; E1214-R1880 IonicContact OE1-NE 3.16Å; E1214-R1880 PolarHBondContact OE1-NE 3.29Å; E1214-R1880 IonicContact OE1-NH2 3.24Å; E1214-R1880 PolarHBondContact OE1-NH2 3.22Å; E1214-R1880 IonicContact OE2-CZ 3.47Å; E1214-R1880 IonicContact OE2-NE 3.21Å; E1214-R1880 PolarHBondContact OE2-NE 2.97Å; E1214-R1880 IonicContact OE2-NH2 3.45Å; E1214-R1880 PolarHBondContact OE2-NH2 3.31Å; F1876-R1880 WeakPolarHBondContact O-CB 3.36Å; F1876-R1880 PolarHBondContact O-N 3.19Å; R1878-R1880 PolarHBondContact O-N 3.49Å; R1880-Q1883 PolarHBondContact O-N 3.22Å; R1880-L1884 WeakPolarHBondContact O-CB 2.94Å; R1880-L1884 PolarHBondContact O-N 3.46Å
1881R87.8Confident85.2Confident161 Ų161116.5 Ų116.561%0.60852%0.521SS*.Hα-helixtrans-66.3-37.9175.4-82.1179-75.1-167.2-6.1113.3D1877 R1878 I1879 L1884 M1885D1877-R1881 WeakPolarHBondContact O-CB 3.42Å; D1877-R1881 WeakPolarHBondContact O-CG 3.27Å; D1877-R1881 PolarHBondContact O-N 2.79Å; D1877-R1881 PolarHBondContact O-NE 2.65Å; R1878-R1881 PolarHBondContact O-N 3.08Å; I1879-R1881 PolarHBondContact O-N 2.96Å; R1881-L1884 PolarHBondContact O-N 3Å; R1881-M1885 WeakPolarHBondContact O-CB 3.35Å; R1881-M1885 WeakPolarHBondContact O-CG 3.07Å; R1881-M1885 PolarHBondContact O-N 3.18Å
1882E87Confident85.1Confident70 Ų70117.9 Ų117.933%0.32753%0.527SS..Hα-helixtrans-65-38.3172.4-78.7-176-146.700112.4R1878 I1879 M1885 K1886R1878-E1882 IonicContact CZ-OE1 2.77Å; R1878-E1882 IonicContact NH1-OE1 2.76Å; R1878-E1882 PolarHBondContact NH1-OE1 3.24Å; R1878-E1882 PolarHBondContact O-N 2.95Å; I1879-E1882 PolarHBondContact O-N 3.44Å; E1882-M1885 PolarHBondContact O-N 3.17Å; E1882-K1886 WeakPolarHBondContact O-CB 2.94Å; E1882-K1886 WeakPolarHBondContact O-CD 3.4Å; E1882-K1886 WeakPolarHBondContact O-CG 3.11Å; E1882-K1886 PolarHBondContact O-N 3.11Å; E1882-K1886 IonicContact OE2-NZ 3.47Å
1883Q84.1Confident85Confident88 Ų88114.8 Ų114.841%0.41152%0.52SS..Hα-helixtrans-69.9-38.8174-70.6-169.531.100112.2I1879 R1880 M1885 K1886 R1887I1879-Q1883 WeakPolarHBondContact O-CG 3.24Å; I1879-Q1883 PolarHBondContact O-N 3.11Å; R1880-Q1883 PolarHBondContact O-N 3.22Å; Q1883-M1885 VanDerWaalsContact C-N 3.32Å; Q1883-M1885 PolarHBondContact O-N 3.27Å; Q1883-K1886 CarbonylContact O-C 3.58Å; Q1883-K1886 PolarHBondContact O-N 2.7Å; Q1883-R1887 WeakPolarHBondContact O-CG 3.13Å; Q1883-R1887 PolarHBondContact O-N 3.13Å; Q1883-R1887 VanDerWaalsContact O-N 3.12Å
1884L86.2Confident84.7Confident56 Ų56116.6 Ų116.629%0.29352%0.52SS..Hα-helixtrans-64.2-35.3173.1-112.6163.1000112.2E1214 R1880 R1881 R1887 R1888E1214-L1884 WeakPolarHBondContact OE1-CD1 3.26Å; R1880-L1884 WeakPolarHBondContact O-CB 2.94Å; R1880-L1884 PolarHBondContact O-N 3.46Å; R1881-L1884 PolarHBondContact O-N 3Å; L1884-R1887 PolarHBondContact O-N 3.2Å; L1884-R1888 WeakPolarHBondContact O-CG 3.37Å; L1884-R1888 PolarHBondContact O-N 3.05Å
1885M81.8Confident84.2Confident132 Ų132115.2 Ų115.265%0.6552%0.515SS*.Hα-helixtrans-68.2-44.5170.1-76.6-176168.600111.6R1881 E1882 Q1883 R1887 R1888 V1889R1881-M1885 WeakPolarHBondContact O-CB 3.35Å; R1881-M1885 WeakPolarHBondContact O-CG 3.07Å; R1881-M1885 PolarHBondContact O-N 3.18Å; E1882-M1885 PolarHBondContact O-N 3.17Å; Q1883-M1885 VanDerWaalsContact C-N 3.32Å; Q1883-M1885 PolarHBondContact O-N 3.27Å; M1885-R1887 PolarHBondContact O-N 2.77Å; M1885-R1888 PolarHBondContact O-N 3.31Å; M1885-V1889 PolarHBondContact O-N 3.01Å
1886K81.2Confident83.9Confident144 Ų144117.7 Ų117.763%0.62653%0.525SS*.THydrogen-bonded Turntrans-7112.1174.3-68.2164.4179.5159.30114.9E1882 Q1883E1882-K1886 WeakPolarHBondContact O-CB 2.94Å; E1882-K1886 WeakPolarHBondContact O-CD 3.4Å; E1882-K1886 WeakPolarHBondContact O-CG 3.11Å; E1882-K1886 PolarHBondContact O-N 3.11Å; E1882-K1886 IonicContact OE2-NZ 3.47Å; Q1883-K1886 CarbonylContact O-C 3.58Å; Q1883-K1886 PolarHBondContact O-N 2.7Å
1887R76.6Confident83.6Confident112 Ų112116.3 Ų116.342%0.42352%0.519SS..THydrogen-bonded Turntrans-127.3-1.9168.4-68-178.8-168.7135.2-2.3113E1215 Q1883 L1884 M1885E1215-R1887 VanDerWaalsContact CG-CZ 3.42Å; E1215-R1887 VanDerWaalsContact CG-NH1 3.32Å; E1215-R1887 IonicContact OE1-CZ 3.37Å; E1215-R1887 IonicContact OE1-NH1 3.33Å; E1215-R1887 PolarHBondContact OE1-NH1 3.35Å; E1215-R1887 IonicContact OE1-NH2 2.68Å; E1215-R1887 PolarHBondContact OE1-NH2 2.86Å; E1215-R1887 IonicContact OE2-CZ 3.51Å; E1215-R1887 IonicContact OE2-NH2 2.78Å; E1215-R1887 PolarHBondContact OE2-NH2 2.67Å; Q1883-R1887 WeakPolarHBondContact O-CG 3.13Å; Q1883-R1887 PolarHBondContact O-N 3.13Å; Q1883-R1887 VanDerWaalsContact O-N 3.12Å; L1884-R1887 PolarHBondContact O-N 3.2Å; M1885-R1887 PolarHBondContact O-N 2.77Å
1888R75.6Confident83.2Confident214 Ų214120.5 Ų120.581%0.80853%0.533SS*.THydrogen-bonded Turntrans-106.8-29.6172-74.1179.7179.2-158.40.8111.2L1884 M1885L1884-R1888 WeakPolarHBondContact O-CG 3.37Å; L1884-R1888 PolarHBondContact O-N 3.05Å; M1885-R1888 PolarHBondContact O-N 3.31Å
1889V67Low82.4Confident168 Ų168120.9 Ų120.9100%1.01854%0.542SS*.  trans-88.40154.1-173.90000107.6M1885M1885-V1889 PolarHBondContact O-N 3.01Å

Retrieved 1,889 of 1,889 residues in 1811.9 ms (Link to these results)

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