A0A3Q0KNV6_SCHMA Loading...

Rif1_N domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KNV6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,262 aa.

>A0A3Q0KNV6_SCHMA|A0A3Q0KNV6
MANAVDSFVKCMRSGGDPTKIIDETQNLLSTNNFPGISYANLEKLVFGPDGLIRFCESSTQKSEYAVEFISMLVKFGVLPTKLLNLKRKDHLVSAVLSVTKNSRKEKLWISCLSLLANEDFSEAIGSSKILINTVATKSSEVLEQAATAFYKLWEFQVVLFLRQPTLSALHSVVQILAFGMALAKLVPEKYMQKLSSLSGKLIDVERKLQNSGLVPKAHFFGLREVVDLSPMKMLSMIADILLQKPGPVLVILKQLVSMFPAFIMDESSLVKIIEILMCAIRTPSQDTGNINDETKDSEEISKEPAVLSLDIFIKLVTTLSRYGSKFNDLPRLLLQLFDLLRAFPTTLAHSEARLFAWWHFICCLNSDLLIDGFRKFLSPFLANLLGRYLSISTPQGDPQLHPYKLSQGNVYEGNLKALELVQHVYSCFFSESSVKFHQLNVPRLSVSNQLLTQNSYPLLVGLLYWIRSVCKYRSSLSQDELKMHTHCLPSQSVDIIWCGCVNYLLKISKSIQESLTYKKVTPFQSPSLSVRVSNSSSAILTVWQHIVTVTCELIQPPHLITSDLDTMQYCPSPSESLNIIQNFIQLLEEFKLPDKEKIDLISSLCVKSAELGGFWIKENSMRKTFCAHVLTYFRLVYNCYHISDSLYIKLDDFHRWGTQIIRLIDMEPRLNLSNKSITMHILRLTGEQNFLNLIRLILIGILPDFVEFISSNIYSQSSFYDDSTQLSLQNCPPVRFSPDALRVWSVLIDRLTLFILDEHRVSENQSTTDIDLSTVESALLMPFWLAGASHPSTMDGNHDSSSDTFQYLSFKDSLAISVRQSNLFSAFHQECCLLTTVPTNAWINQLSVKLSTLILSYAPKVFENVNLHLISRFVHCLAQSAEIYEEKGNQKDTHYTFASAKIDDQPLGQLTGLVSLLNSLLLYIPWLHPPTQTENNESPPCHLSAQESTTQWLTSPPVVSIGTRTNQSINEESANGVHSINRSANSNQVSHGLLDALETVVFLLNNHLHGTDSVLSMFSKLESSLTRLVHCCVEAEKAVIEAGTDLDEPLLITQHRQHAKLALEEVFICIWKQMKVVPPNISINNPLSMLHVISNNQGLDTPATTPVSNSEISDSIHSIAQYEAILSLSFTLCGYSVKSNQESSLQLSVTFMNWFIGFWNYLVDQYCVKQTKSNSSKLLNFRNFLINLEPEFQKIIMRTLNPNTQRLADLDPDEKNTSRRKSIPRKTPKSEPTKRLSRLSKKLASSSSQSPTISNNLKLKTEENSPIDSLVTTSRSDKRLSLVKDKYKPERSRRSNTVAGELFSDTRVSENKNNPQKLSLNPSIRSRRRRLSLVNGNSPTEKIVTPVRRSFGQTENITQSAPSNFSSRRGRSRKGVNLFPASPKPSPTNGIIAKAFGIPPGTSLINNESDIHNWSPTATSPGPLPSRPLVKRRLFGGPQEVAVTESKLNNSNQLSLQPTRKRHFSDSERNTNNSSKVVTISTCCEDTCDFIFIPPQSESLKKRRRCLTTHQKERFKEQLNEYIPTMYNELDISQQSWSSISGGGGGSESQSQLDFSLQSSVNKDCQEVSETPEPLDSNAKPNATEEEVNNETSQTENISVKTSTSPLCIESECIPTKTVLSPSVDPPTSEKESDLKDDFEIIQDTETINTECELDCVDEISPKLNTSDLSDETNSNQLSESFNLPSKTLPKPSPKDENEKVSPPTIAVTIPPILTSRPNNHTLSSPLIRGSSRAQKMLVLGLQKAAQQTARQRSSSGDHNSGNLSLDNSPTLTERKSMLNLLASPSRLTFTPSVADSPSGIIRNLWSKKKSQRVSFVEQPVVYTIESTHSMEQESDEDSDHDNQIDFSTNRKTILFNNNNEDDGDKYEEFNDLNENKLDEIVINTNVEKLKESNKKNEETGINGIPMSKIEVHVTSKQIPVDLDASQDLSQSVFSITTEFDKETTPSTLSDNSFESSPHHRRKSASPQRRELPIKKASSGSKYQSSNQLLKSSKSRPLFMEPVHQTEVISYDSKTSESTESLHMNKKENILVIDSESTLIADTQLEESTLQTNDTVDNSSASIKQTQEDGFVATDGYVDDECILIEGSQGGSQINNTEDQLISPTNVQINQYNFSPINVEESPEVNNDKNNGTKDNSSSSQTIAILTDNNSTNDKNVVTTSLLGPNEAIDERNITPLTLPPDINNNEEIMNKNSELKDDTVGDNKENQPETTMMSDTTENDVEKDILDKLSQIATSLPILRPEQRRSILLEALSTFKSIMP
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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
1M57.4Low69Low28 Ų2847.5 Ų47.514%0.13828%0.276CS..  0-67.50-154.751.4178.600113.9N3 A4 V5 T25 L29 F34 I37 F69 L73 V78M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 3.34Å; M1-N3 VanDerWaalsContact O-N 3.09Å; M1-A4 WeakPolarHBondContact O-CB 3.21Å; M1-A4 PolarHBondContact O-N 3.49Å; M1-V5 HydrophobicContact CE-CG2 3.85Å; M1-V5 HydrophobicContact CG-CG2 3.83Å; M1-V5 WeakPolarHBondContact O-CG2 3.34Å; M1-V5 PolarHBondContact O-N 3.43Å; M1-V5 VanDerWaalsContact O-N 3.13Å; M1-V5 HydrophobicContact SD-CG2 4.13Å; M1-T25 HydrophobicContact CE-CG2 4.4Å; M1-T25 HydrophobicContact SD-CG2 4.48Å; M1-L29 HydrophobicContact CE-CD1 3.82Å; M1-L29 HydrophobicContact CE-CD2 4.04Å; M1-L29 HydrophobicContact CE-CG 4.19Å; M1-L29 HydrophobicContact SD-CD2 3.96Å; M1-L29 HydrophobicContact SD-CG 4.33Å; M1-F34 HydrophobicContact CB-CE1 4.48Å; M1-I37 HydrophobicContact CB-CD1 3.46Å; M1-I37 VanDerWaalsContact CB-CD1 3.46Å; M1-I37 HydrophobicContact CB-CG1 4.26Å; M1-I37 HydrophobicContact CG-CD1 3.77Å; M1-F69 HydrophobicContact CE-CZ 4.31Å; M1-L73 HydrophobicContact CE-CD2 3.48Å; M1-L73 VanDerWaalsContact CE-CD2 3.48Å; M1-V78 HydrophobicContact CG-CG1 4.45Å
2A60.1Low69.2Low68 Ų6843.8 Ų43.856%0.56225%0.254SS*.Hα-helixtrans-44.1-48.6-171.800000115.4A4 V5 D6A2-A4 VanDerWaalsContact C-N 3.34Å; A2-A4 PolarHBondContact O-N 3.12Å; A2-V5 PolarHBondContact O-N 3.45Å; A2-D6 WeakPolarHBondContact O-CB 3.22Å; A2-D6 PolarHBondContact O-N 2.9Å
3N69.3Low69.3Low132 Ų13251.4 Ų51.471%0.70628%0.276SS*.Hα-helixtrans-61.1-37177.5-62.617.4000113.8M1 D6 S7M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 3.34Å; M1-N3 VanDerWaalsContact O-N 3.09Å; N3-D6 PolarHBondContact O-N 3.44Å; N3-S7 WeakPolarHBondContact O-CB 3.13Å; N3-S7 PolarHBondContact O-N 3.18Å; N3-S7 PolarHBondContact O-OG 2.82Å; N3-S7 VanDerWaalsContact O-OG 3.08Å
4A66.8Low69.6Low14 Ų1454.6 Ų54.612%0.11631%0.305CS..Hα-helixtrans-74.3-32.9179.600000111.4M1 A2 F8 I21 T25 L28M1-A4 WeakPolarHBondContact O-CB 3.21Å; M1-A4 PolarHBondContact O-N 3.49Å; A2-A4 VanDerWaalsContact C-N 3.34Å; A2-A4 PolarHBondContact O-N 3.12Å; A4-F8 WeakPolarHBondContact O-CB 3.2Å; A4-F8 PolarHBondContact O-N 3.38Å; A4-I21 WeakPolarHBondContact O-CG2 3.41Å; A4-T25 HydrophobicContact CB-CG2 3.48Å; A4-T25 VanDerWaalsContact CB-CG2 3.48Å; A4-L28 HydrophobicContact CB-CD1 4.25Å
5V63Low69.2Low4 Ų454.1 Ų54.12%0.02432%0.317CS..Hα-helixtrans-69.7-40.2172.2-173.50000111.3M1 A2 F8 V9 L45 F69M1-V5 HydrophobicContact CE-CG2 3.85Å; M1-V5 HydrophobicContact CG-CG2 3.83Å; M1-V5 WeakPolarHBondContact O-CG2 3.34Å; M1-V5 PolarHBondContact O-N 3.43Å; M1-V5 VanDerWaalsContact O-N 3.13Å; M1-V5 HydrophobicContact SD-CG2 4.13Å; A2-V5 PolarHBondContact O-N 3.45Å; V5-F8 WeakPolarHBondContact O-CB 3.49Å; V5-F8 PolarHBondContact O-N 2.79Å; V5-V9 WeakPolarHBondContact O-CG2 3.38Å; V5-V9 PolarHBondContact O-N 2.83Å; V5-L45 HydrophobicContact CB-CD1 4.36Å; V5-L45 HydrophobicContact CG1-CD1 3.4Å; V5-L45 VanDerWaalsContact CG1-CD1 3.4Å; V5-L45 HydrophobicContact CG1-CD2 3.2Å; V5-L45 HydrophobicContact CG1-CG 3.91Å; V5-F69 HydrophobicContact CB-CE1 4.43Å; V5-F69 HydrophobicContact CB-CZ 4.23Å; V5-F69 HydrophobicContact CG1-CE1 3.95Å; V5-F69 HydrophobicContact CG1-CZ 4.22Å; V5-F69 HydrophobicContact CG2-CE1 4.1Å; V5-F69 HydrophobicContact CG2-CZ 3.85Å
6D68.8Low69.3Low65 Ų6552.7 Ų52.735%0.34832%0.317SS..Hα-helixtrans-66.7-42.8172.7170.453.6000111.5A2 N3 F8 V9 K10A2-D6 WeakPolarHBondContact O-CB 3.22Å; A2-D6 PolarHBondContact O-N 2.9Å; N3-D6 PolarHBondContact O-N 3.44Å; D6-F8 VanDerWaalsContact C-N 3.31Å; D6-F8 PolarHBondContact O-N 3.19Å; D6-V9 PolarHBondContact O-N 2.78Å; D6-K10 VanDerWaalsContact CG-NZ 3.32Å; D6-K10 VanDerWaalsContact O-CB 3.28Å; D6-K10 WeakPolarHBondContact O-CB 3.15Å; D6-K10 VanDerWaalsContact O-CG 3.26Å; D6-K10 WeakPolarHBondContact O-CG 3.44Å; D6-K10 PolarHBondContact O-N 3.13Å; D6-K10 WeakPolarHBondContact OD1-CE 3.46Å; D6-K10 IonicContact OD1-NZ 2.63Å; D6-K10 PolarHBondContact OD1-NZ 3.43Å; D6-K10 WeakPolarHBondContact OD2-CE 3.35Å; D6-K10 IonicContact OD2-NZ 2.67Å; D6-K10 PolarHBondContact OD2-NZ 2.9Å
7S75.8Confident69.5Low56 Ų5655.5 Ų55.539%0.39233%0.33SS..Hα-helixtrans-57.8-42169-72.10000112N3 K10 C11 I21N3-S7 WeakPolarHBondContact O-CB 3.13Å; N3-S7 PolarHBondContact O-N 3.18Å; N3-S7 PolarHBondContact O-OG 2.82Å; N3-S7 VanDerWaalsContact O-OG 3.08Å; S7-K10 PolarHBondContact O-N 3.27Å; S7-C11 VanDerWaalsContact O-CB 3.23Å; S7-C11 WeakPolarHBondContact O-CB 3.18Å; S7-C11 PolarHBondContact O-N 2.92Å; S7-I21 WeakPolarHBondContact O-CD1 3.14Å
8F74.8Confident69.8Low0 Ų052.6 Ų52.60%031%0.313CS..Hα-helixtrans-61.3-52.5175.2-178.7-92.1000111A4 V5 D6 K10 C11 M12 P18 I21 I22 L52 Y65 F69A4-F8 WeakPolarHBondContact O-CB 3.2Å; A4-F8 PolarHBondContact O-N 3.38Å; V5-F8 WeakPolarHBondContact O-CB 3.49Å; V5-F8 PolarHBondContact O-N 2.79Å; D6-F8 VanDerWaalsContact C-N 3.31Å; D6-F8 PolarHBondContact O-N 3.19Å; F8-K10 VanDerWaalsContact C-N 3.31Å; F8-K10 PolarHBondContact O-N 3.08Å; F8-C11 PolarHBondContact O-N 2.9Å; F8-M12 HydrophobicContact CD1-CG 3.99Å; F8-M12 HydrophobicContact CE1-CE 3.91Å; F8-M12 HydrophobicContact CE1-CG 3.68Å; F8-M12 HydrophobicContact CE1-SD 4.38Å; F8-M12 HydrophobicContact CE2-CG 4.25Å; F8-M12 HydrophobicContact CE2-SD 4.45Å; F8-M12 HydrophobicContact CG-CG 4.39Å; F8-M12 HydrophobicContact CZ-CE 3.7Å; F8-M12 HydrophobicContact CZ-CG 3.82Å; F8-M12 HydrophobicContact CZ-SD 4Å; F8-M12 WeakPolarHBondContact O-CB 3.39Å; F8-M12 WeakPolarHBondContact O-CG 3.26Å; F8-M12 PolarHBondContact O-N 3.39Å; F8-P18 HydrophobicContact CD2-CB 4.06Å; F8-P18 HydrophobicContact CE2-CB 3.78Å; F8-I21 HydrophobicContact CB-CG2 3.89Å; F8-I21 HydrophobicContact CD2-CG2 4.38Å; F8-I22 HydrophobicContact CD2-CG1 4.26Å; F8-I22 HydrophobicContact CE2-CD1 4.09Å; F8-I22 HydrophobicContact CE2-CG1 3.8Å; F8-L52 HydrophobicContact CD1-CD2 3.98Å; F8-L52 HydrophobicContact CE1-CD2 3.67Å; F8-Y65 WeakPolarHBondContact CZ-O 3.48Å; F8-F69 HydrophobicContact CB-CD2 4.48Å; F8-F69 HydrophobicContact CB-CE2 3.98Å; F8-F69 HydrophobicContact CB-CZ 4.17Å; F8-F69 HydrophobicContact CD1-CD1 4.26Å; F8-F69 HydrophobicContact CD1-CD2 4.17Å; F8-F69 HydrophobicContact CD1-CE1 4.48Å; F8-F69 HydrophobicContact CD1-CE2 4.38Å; F8-F69 HydrophobicContact CD1-CG 4.1Å; F8-F69 AromaticContact CD2-CD2 3.55Å; F8-F69 HydrophobicContact CD2-CD2 3.55Å; F8-F69 AromaticContact CD2-CE2 3.83Å; F8-F69 HydrophobicContact CD2-CE2 3.83Å; F8-F69 HydrophobicContact CD2-CG 4.18Å; F8-F69 HydrophobicContact CE1-CB 3.99Å; F8-F69 HydrophobicContact CE1-CD1 4.34Å; F8-F69 HydrophobicContact CE1-CD2 4.31Å; F8-F69 AromaticContact CE1-CG 3.97Å; F8-F69 HydrophobicContact CE1-CG 3.97Å; F8-F69 HydrophobicContact CE2-CB 4.01Å; F8-F69 AromaticContact CE2-CD2 3.7Å; F8-F69 HydrophobicContact CE2-CD2 3.7Å; F8-F69 HydrophobicContact CE2-CE2 4.44Å; F8-F69 HydrophobicContact CE2-CG 4.05Å; F8-F69 AromaticContact CG-CD2 3.8Å; F8-F69 HydrophobicContact CG-CD2 3.8Å; F8-F69 AromaticContact CG-CE2 3.8Å; F8-F69 HydrophobicContact CG-CE2 3.8Å; F8-F69 HydrophobicContact CG-CG 4.21Å; F8-F69 HydrophobicContact CG-CZ 4.22Å; F8-F69 HydrophobicContact CZ-CB 3.66Å; F8-F69 HydrophobicContact CZ-CD2 4.09Å; F8-F69 AromaticContact CZ-CG 3.94Å; F8-F69 HydrophobicContact CZ-CG 3.94Å
9V69.5Low69.9Low22 Ų2252.4 Ų52.413%0.13331%0.312CS..Hα-helixtrans-59.6-39.6177170.80000111.6V5 D6 R13 L45 L52V5-V9 WeakPolarHBondContact O-CG2 3.38Å; V5-V9 PolarHBondContact O-N 2.83Å; D6-V9 PolarHBondContact O-N 2.78Å; V9-R13 VanDerWaalsContact CG1-NE 3.31Å; V9-R13 WeakPolarHBondContact O-CB 3.46Å; V9-R13 VanDerWaalsContact O-CG 3.23Å; V9-R13 WeakPolarHBondContact O-CG 3.49Å; V9-R13 PolarHBondContact O-N 3.11Å; V9-L45 HydrophobicContact CG2-CD1 4.45Å; V9-L45 HydrophobicContact CG2-CD2 4.41Å; V9-L52 HydrophobicContact CG2-CD2 4.33Å
10K75.6Confident70.3Confident117 Ų11757.5 Ų57.551%0.50933%0.33SS..Hα-helixtrans-65.6-43.1175.4-78167.7174.2165.60112.6D6 S7 F8 R13 S14D6-K10 VanDerWaalsContact CG-NZ 3.32Å; D6-K10 VanDerWaalsContact O-CB 3.28Å; D6-K10 WeakPolarHBondContact O-CB 3.15Å; D6-K10 VanDerWaalsContact O-CG 3.26Å; D6-K10 WeakPolarHBondContact O-CG 3.44Å; D6-K10 PolarHBondContact O-N 3.13Å; D6-K10 WeakPolarHBondContact OD1-CE 3.46Å; D6-K10 IonicContact OD1-NZ 2.63Å; D6-K10 PolarHBondContact OD1-NZ 3.43Å; D6-K10 WeakPolarHBondContact OD2-CE 3.35Å; D6-K10 IonicContact OD2-NZ 2.67Å; D6-K10 PolarHBondContact OD2-NZ 2.9Å; S7-K10 PolarHBondContact O-N 3.27Å; F8-K10 VanDerWaalsContact C-N 3.31Å; F8-K10 PolarHBondContact O-N 3.08Å; K10-R13 PolarHBondContact O-N 3.35Å; K10-S14 WeakPolarHBondContact O-CB 3.2Å; K10-S14 PolarHBondContact O-N 2.99Å; K10-S14 PolarHBondContact O-OG 3.12Å
11C78Confident70.6Confident16 Ų1655.8 Ų55.811%0.10832%0.32CS..Hα-helixtrans-64.6-44.3176.6-170.90000111.5S7 F8 R13 S14 G15 G16 I21S7-C11 VanDerWaalsContact O-CB 3.23Å; S7-C11 WeakPolarHBondContact O-CB 3.18Å; S7-C11 PolarHBondContact O-N 2.92Å; F8-C11 PolarHBondContact O-N 2.9Å; C11-R13 VanDerWaalsContact C-N 3.33Å; C11-R13 PolarHBondContact O-N 2.68Å; C11-S14 WeakPolarHBondContact CA-OG 3.32Å; C11-S14 PolarHBondContact O-N 2.79Å; C11-S14 PolarHBondContact O-OG 3.21Å; C11-S14 VanDerWaalsContact O-OG 3.13Å; C11-G15 PolarHBondContact O-N 2.96Å; C11-G16 PolarHBondContact O-N 3.1Å; C11-G16 VanDerWaalsContact O-N 3.14Å; C11-G16 VanDerWaalsContact SG-CA 3.53Å; C11-I21 HydrophobicContact CB-CD1 3.4Å; C11-I21 VanDerWaalsContact CB-CD1 3.4Å
12M71.8Confident71.4Confident3 Ų354.9 Ų54.92%0.01532%0.315CS..Hα-helixtrans-62.7-38.9176.3-68.7-74.3-91.200111.9F8 P18 F55 K62 A66F8-M12 HydrophobicContact CD1-CG 3.99Å; F8-M12 HydrophobicContact CE1-CE 3.91Å; F8-M12 HydrophobicContact CE1-CG 3.68Å; F8-M12 HydrophobicContact CE1-SD 4.38Å; F8-M12 HydrophobicContact CE2-CG 4.25Å; F8-M12 HydrophobicContact CE2-SD 4.45Å; F8-M12 HydrophobicContact CG-CG 4.39Å; F8-M12 HydrophobicContact CZ-CE 3.7Å; F8-M12 HydrophobicContact CZ-CG 3.82Å; F8-M12 HydrophobicContact CZ-SD 4Å; F8-M12 WeakPolarHBondContact O-CB 3.39Å; F8-M12 WeakPolarHBondContact O-CG 3.26Å; F8-M12 PolarHBondContact O-N 3.39Å; M12-P18 HydrophobicContact SD-CB 4.12Å; M12-P18 HydrophobicContact SD-CG 3.89Å; M12-F55 HydrophobicContact CB-CE1 4.49Å; M12-F55 HydrophobicContact CB-CE2 3.97Å; M12-F55 HydrophobicContact CB-CZ 3.91Å; M12-F55 HydrophobicContact CE-CD1 3.77Å; M12-F55 HydrophobicContact CE-CE1 3.27Å; M12-F55 HydrophobicContact CE-CZ 3.86Å; M12-F55 HydrophobicContact SD-CE1 4.32Å; M12-F55 HydrophobicContact SD-CZ 4.38Å; M12-K62 HydrophobicContact CE-CB 4.26Å; M12-K62 WeakPolarHBondContact CE-O 2.99Å; M12-K62 PolarHBondContact O-NZ 2.84Å; M12-K62 HydrophobicContact SD-CB 4.34Å; M12-A66 HydrophobicContact CE-CB 3.76Å
13R70.5Confident72.2Confident143 Ų14355.7 Ų55.754%0.5431%0.31SS..Hα-helixtrans-66.9-45.8170.2-73.7173.8-165.6-136.4-1.4112.7V9 K10 C11 G15 D50V9-R13 VanDerWaalsContact CG1-NE 3.31Å; V9-R13 WeakPolarHBondContact O-CB 3.46Å; V9-R13 VanDerWaalsContact O-CG 3.23Å; V9-R13 WeakPolarHBondContact O-CG 3.49Å; V9-R13 PolarHBondContact O-N 3.11Å; K10-R13 PolarHBondContact O-N 3.35Å; C11-R13 VanDerWaalsContact C-N 3.33Å; C11-R13 PolarHBondContact O-N 2.68Å; R13-G15 VanDerWaalsContact C-N 3.35Å; R13-G15 PolarHBondContact O-N 3.01Å; R13-D50 IonicContact CZ-OD2 3.41Å; R13-D50 VanDerWaalsContact CZ-OD2 3.27Å; R13-D50 IonicContact NH1-OD2 3.1Å; R13-D50 PolarHBondContact NH1-OD2 3.44Å; R13-D50 VanDerWaalsContact NH2-CG 3.31Å; R13-D50 IonicContact NH2-OD2 2.75Å; R13-D50 PolarHBondContact NH2-OD2 3.46Å
14S73.6Confident72.5Confident97 Ų9754.9 Ų54.968%0.67830%0.302SS*.Hα-helixtrans-75.6-19.3-174.769.20000114.5K10 C11 G16K10-S14 WeakPolarHBondContact O-CB 3.2Å; K10-S14 PolarHBondContact O-N 2.99Å; K10-S14 PolarHBondContact O-OG 3.12Å; C11-S14 WeakPolarHBondContact CA-OG 3.32Å; C11-S14 PolarHBondContact O-N 2.79Å; C11-S14 PolarHBondContact O-OG 3.21Å; C11-S14 VanDerWaalsContact O-OG 3.13Å; S14-G16 PolarHBondContact OG-N 2.94Å
15G62.9Low72.8Confident47 Ų4754.2 Ų54.249%0.48530%0.297SS..THydrogen-bonded Turntrans82.818.4-172.600000114.2C11 R13C11-G15 PolarHBondContact O-N 2.96Å; R13-G15 VanDerWaalsContact C-N 3.35Å; R13-G15 PolarHBondContact O-N 3.01Å
16G70.9Confident73.4Confident31 Ų3158.5 Ų58.532%0.3232%0.317SS..  trans-66.7164.5163.700000111.9C11 S14 P18C11-G16 PolarHBondContact O-N 3.1Å; C11-G16 VanDerWaalsContact O-N 3.14Å; C11-G16 VanDerWaalsContact SG-CA 3.53Å; S14-G16 PolarHBondContact OG-N 2.94Å; G16-P18 WeakPolarHBondContact O-CD 3.31Å
17D72.5Confident73.7Confident100 Ų10060.1 Ų60.154%0.53533%0.325SS..  trans-79.3115.9170.2-174.8-14.9000109.3T19D17-T19 VanDerWaalsContact C-N 3.3Å; D17-T19 PolarHBondContact O-N 3.21Å; D17-T19 VanDerWaalsContact OD1-CB 3.32Å; D17-T19 WeakPolarHBondContact OD1-CB 3.31Å; D17-T19 WeakPolarHBondContact OD1-CG2 3.44Å; D17-T19 PolarHBondContact OD1-N 3.08Å; D17-T19 PolarHBondContact OD1-OG1 3.18Å; D17-T19 PolarHBondContact OD2-OG1 3.19Å
18P74.5Confident73.4Confident3 Ų360.4 Ų60.42%0.01932%0.322CS..  trans-80.9-6.1-177.235.5-37.3000113.3F8 M12 G16 K20 I21 I22 Y65F8-P18 HydrophobicContact CD2-CB 4.06Å; F8-P18 HydrophobicContact CE2-CB 3.78Å; M12-P18 HydrophobicContact SD-CB 4.12Å; M12-P18 HydrophobicContact SD-CG 3.89Å; G16-P18 WeakPolarHBondContact O-CD 3.31Å; P18-K20 VanDerWaalsContact C-N 3.33Å; P18-K20 PolarHBondContact O-N 2.72Å; P18-I21 CarbonylContact O-C 3.02Å; P18-I21 WeakPolarHBondContact O-CA 3.4Å; P18-I21 WeakPolarHBondContact O-CB 3.37Å; P18-I21 PolarHBondContact O-N 2.66Å; P18-I22 WeakPolarHBondContact O-CG1 3.49Å; P18-I22 PolarHBondContact O-N 2.89Å; P18-Y65 HydrophobicContact CG-CD1 3.86Å; P18-Y65 HydrophobicContact CG-CD2 3.32Å; P18-Y65 HydrophobicContact CG-CE1 4.28Å; P18-Y65 HydrophobicContact CG-CE2 3.78Å; P18-Y65 HydrophobicContact CG-CG 3.35Å
19T73.1Confident73.2Confident50 Ų5061 Ų6131%0.30733%0.325SS..Hα-helixtrans-50.5-48.5-177.747.90000112.7D17 I21 I22 D23 Y65D17-T19 VanDerWaalsContact C-N 3.3Å; D17-T19 PolarHBondContact O-N 3.21Å; D17-T19 VanDerWaalsContact OD1-CB 3.32Å; D17-T19 WeakPolarHBondContact OD1-CB 3.31Å; D17-T19 WeakPolarHBondContact OD1-CG2 3.44Å; D17-T19 PolarHBondContact OD1-N 3.08Å; D17-T19 PolarHBondContact OD1-OG1 3.18Å; D17-T19 PolarHBondContact OD2-OG1 3.19Å; T19-I21 VanDerWaalsContact C-N 3.25Å; T19-I21 PolarHBondContact O-N 3.28Å; T19-I22 WeakPolarHBondContact O-CB 3.06Å; T19-I22 PolarHBondContact O-N 3.48Å; T19-I22 VanDerWaalsContact O-N 3.13Å; T19-D23 PolarHBondContact O-N 3.46Å; T19-Y65 HydrophobicContact CG2-CE1 3.93Å
20K76.9Confident73.2Confident153 Ų15363.4 Ų63.467%0.66534%0.343SS*.Hα-helixtrans-56.7-37.2175-71.7-172.6174.7-1750113.5P18 E24P18-K20 VanDerWaalsContact C-N 3.33Å; P18-K20 PolarHBondContact O-N 2.72Å; K20-E24 VanDerWaalsContact O-CB 3.3Å; K20-E24 WeakPolarHBondContact O-CB 3.19Å; K20-E24 VanDerWaalsContact O-CG 3.22Å; K20-E24 WeakPolarHBondContact O-CG 3.28Å; K20-E24 PolarHBondContact O-N 3.19Å
21I76.9Confident72.8Confident22 Ų2262.7 Ų62.711%0.11335%0.349CS..Hα-helixtrans-77.4-34.8-179.1-53.5175.7000110.1A4 S7 F8 C11 P18 T19 T25A4-I21 WeakPolarHBondContact O-CG2 3.41Å; S7-I21 WeakPolarHBondContact O-CD1 3.14Å; F8-I21 HydrophobicContact CB-CG2 3.89Å; F8-I21 HydrophobicContact CD2-CG2 4.38Å; C11-I21 HydrophobicContact CB-CD1 3.4Å; C11-I21 VanDerWaalsContact CB-CD1 3.4Å; P18-I21 CarbonylContact O-C 3.02Å; P18-I21 WeakPolarHBondContact O-CA 3.4Å; P18-I21 WeakPolarHBondContact O-CB 3.37Å; P18-I21 PolarHBondContact O-N 2.66Å; T19-I21 VanDerWaalsContact C-N 3.25Å; T19-I21 PolarHBondContact O-N 3.28Å; I21-T25 WeakPolarHBondContact O-CB 3.24Å; I21-T25 PolarHBondContact O-N 3.16Å; I21-T25 PolarHBondContact O-OG1 3.01Å
22I74.8Confident71.9Confident9 Ų965.5 Ų65.55%0.04636%0.362CS..Hα-helixtrans-60.4-51.5169.6-67.8173.7000109.1F8 P18 T19 E24 T25 Q26 Y65 E68 M72F8-I22 HydrophobicContact CD2-CG1 4.26Å; F8-I22 HydrophobicContact CE2-CD1 4.09Å; F8-I22 HydrophobicContact CE2-CG1 3.8Å; P18-I22 WeakPolarHBondContact O-CG1 3.49Å; P18-I22 PolarHBondContact O-N 2.89Å; T19-I22 WeakPolarHBondContact O-CB 3.06Å; T19-I22 PolarHBondContact O-N 3.48Å; T19-I22 VanDerWaalsContact O-N 3.13Å; I22-E24 PolarHBondContact O-N 2.9Å; I22-T25 WeakPolarHBondContact CA-OG1 3.32Å; I22-T25 PolarHBondContact O-N 2.85Å; I22-T25 PolarHBondContact O-OG1 3.24Å; I22-Q26 WeakPolarHBondContact O-CB 3.26Å; I22-Q26 PolarHBondContact O-N 2.9Å; I22-Y65 HydrophobicContact CD1-CD1 3.64Å; I22-Y65 HydrophobicContact CD1-CG 4.23Å; I22-E68 HydrophobicContact CD1-CG 4.45Å; I22-E68 HydrophobicContact CG2-CG 4.45Å; I22-M72 HydrophobicContact CG2-CE 3.55Å
23D77.1Confident71.1Confident86 Ų8673.2 Ų73.246%0.4640%0.404SS..Hα-helixtrans-60.1-45.3176.3-70.3-33.2000112.3T19 T25 Q26 N27T19-D23 PolarHBondContact O-N 3.46Å; D23-T25 PolarHBondContact O-N 3.04Å; D23-Q26 PolarHBondContact O-N 2.82Å; D23-N27 WeakPolarHBondContact O-CB 3.35Å; D23-N27 VanDerWaalsContact O-CG 3.3Å; D23-N27 PolarHBondContact O-N 2.79Å; D23-N27 PolarHBondContact O-ND2 3.35Å
24E75Confident70.4Confident114 Ų11469.8 Ų69.853%0.53339%0.393SS..Hα-helixtrans-60.3-43.1174.4-79170.7-159.200111.8K20 I22 N27 L28K20-E24 VanDerWaalsContact O-CB 3.3Å; K20-E24 WeakPolarHBondContact O-CB 3.19Å; K20-E24 VanDerWaalsContact O-CG 3.22Å; K20-E24 WeakPolarHBondContact O-CG 3.28Å; K20-E24 PolarHBondContact O-N 3.19Å; I22-E24 PolarHBondContact O-N 2.9Å; E24-N27 PolarHBondContact O-N 3.49Å; E24-L28 WeakPolarHBondContact O-CB 3.26Å; E24-L28 PolarHBondContact O-N 3.48Å
25T73.1Confident69.4Low0 Ų070.8 Ų70.80%040%0.397CS..Hα-helixtrans-69.5-37175.148.90000113.1M1 A4 I21 I22 D23 N27 L28 L29 F69M1-T25 HydrophobicContact CE-CG2 4.4Å; M1-T25 HydrophobicContact SD-CG2 4.48Å; A4-T25 HydrophobicContact CB-CG2 3.48Å; A4-T25 VanDerWaalsContact CB-CG2 3.48Å; I21-T25 WeakPolarHBondContact O-CB 3.24Å; I21-T25 PolarHBondContact O-N 3.16Å; I21-T25 PolarHBondContact O-OG1 3.01Å; I22-T25 WeakPolarHBondContact CA-OG1 3.32Å; I22-T25 PolarHBondContact O-N 2.85Å; I22-T25 PolarHBondContact O-OG1 3.24Å; D23-T25 PolarHBondContact O-N 3.04Å; T25-N27 VanDerWaalsContact C-N 3.31Å; T25-N27 PolarHBondContact O-N 2.94Å; T25-L28 PolarHBondContact O-N 2.88Å; T25-L29 VanDerWaalsContact O-CB 3.31Å; T25-L29 WeakPolarHBondContact O-CB 3.42Å; T25-L29 WeakPolarHBondContact O-CG 3.41Å; T25-L29 PolarHBondContact O-N 2.87Å; T25-F69 HydrophobicContact CG2-CE2 3.82Å; T25-F69 HydrophobicContact CG2-CZ 4.19Å
26Q74.6Confident69Low95 Ų9572.5 Ų72.544%0.44442%0.415SS..Hα-helixtrans-63.5-41.3175.9-168.7169-7500110.8I22 D23 L29 S30 M72 F76I22-Q26 WeakPolarHBondContact O-CB 3.26Å; I22-Q26 PolarHBondContact O-N 2.9Å; D23-Q26 PolarHBondContact O-N 2.82Å; Q26-L29 PolarHBondContact O-N 2.77Å; Q26-S30 WeakPolarHBondContact O-CB 3.45Å; Q26-S30 PolarHBondContact O-N 3.32Å; Q26-S30 PolarHBondContact O-OG 3.29Å; Q26-S30 VanDerWaalsContact O-OG 3.11Å; Q26-M72 HydrophobicContact CB-CE 3.71Å; Q26-M72 HydrophobicContact CB-SD 4.03Å; Q26-M72 HydrophobicContact CG-CE 4.26Å; Q26-F76 HydrophobicContact CG-CE2 4.44Å
27N75.3Confident68.3Low98 Ų9873.5 Ų73.552%0.52441%0.412SS..Hα-helixtrans-70.3-35175-71.2-46.4000112.7D23 E24 T25 S30 T31D23-N27 WeakPolarHBondContact O-CB 3.35Å; D23-N27 VanDerWaalsContact O-CG 3.3Å; D23-N27 PolarHBondContact O-N 2.79Å; D23-N27 PolarHBondContact O-ND2 3.35Å; E24-N27 PolarHBondContact O-N 3.49Å; T25-N27 VanDerWaalsContact C-N 3.31Å; T25-N27 PolarHBondContact O-N 2.94Å; N27-S30 WeakPolarHBondContact CA-OG 2.99Å; N27-S30 PolarHBondContact O-OG 2.77Å; N27-T31 WeakPolarHBondContact O-CB 3.4Å; N27-T31 VanDerWaalsContact O-CG2 3.28Å; N27-T31 WeakPolarHBondContact O-CG2 3.22Å; N27-T31 PolarHBondContact O-N 2.69Å; N27-T31 PolarHBondContact O-OG1 2.95Å
28L71Confident67.8Low63 Ų6371.5 Ų71.533%0.3341%0.406SS..Hα-helixtrans-66.5-38.3172.4-93.8158.7000112.6A4 E24 T25 T31 N32 F34A4-L28 HydrophobicContact CB-CD1 4.25Å; E24-L28 WeakPolarHBondContact O-CB 3.26Å; E24-L28 PolarHBondContact O-N 3.48Å; T25-L28 PolarHBondContact O-N 2.88Å; L28-T31 PolarHBondContact O-OG1 3.49Å; L28-N32 WeakPolarHBondContact O-CB 3.41Å; L28-N32 PolarHBondContact O-N 2.88Å; L28-N32 PolarHBondContact O-ND2 2.74Å; L28-F34 HydrophobicContact CD2-CZ 4.35Å
29L70.7Confident67.2Low11 Ų1174 Ų746%0.05842%0.415CS..Hα-helixtrans-81.7-30.6-178-68.8174000113.2M1 T25 Q26 T31 F34 M72 F76 V78M1-L29 HydrophobicContact CE-CD1 3.82Å; M1-L29 HydrophobicContact CE-CD2 4.04Å; M1-L29 HydrophobicContact CE-CG 4.19Å; M1-L29 HydrophobicContact SD-CD2 3.96Å; M1-L29 HydrophobicContact SD-CG 4.33Å; T25-L29 VanDerWaalsContact O-CB 3.31Å; T25-L29 WeakPolarHBondContact O-CB 3.42Å; T25-L29 WeakPolarHBondContact O-CG 3.41Å; T25-L29 PolarHBondContact O-N 2.87Å; Q26-L29 PolarHBondContact O-N 2.77Å; L29-T31 VanDerWaalsContact C-N 3.25Å; L29-T31 PolarHBondContact O-N 3.17Å; L29-F34 HydrophobicContact CD2-CD2 3.79Å; L29-F34 HydrophobicContact CD2-CE2 3.91Å; L29-M72 HydrophobicContact CD1-CG 3.73Å; L29-M72 HydrophobicContact CD1-SD 3.83Å; L29-F76 HydrophobicContact CB-CB 4.13Å; L29-F76 HydrophobicContact CB-CD1 3.81Å; L29-F76 HydrophobicContact CB-CD2 3.71Å; L29-F76 HydrophobicContact CB-CE1 4.06Å; L29-F76 HydrophobicContact CB-CE2 3.96Å; L29-F76 HydrophobicContact CB-CG 3.63Å; L29-F76 HydrophobicContact CB-CZ 4.12Å; L29-F76 HydrophobicContact CD1-CB 4.14Å; L29-F76 HydrophobicContact CD1-CD2 3.74Å; L29-F76 HydrophobicContact CD1-CE2 4.39Å; L29-F76 HydrophobicContact CD1-CG 4.11Å; L29-F76 HydrophobicContact CD2-CB 4.36Å; L29-F76 HydrophobicContact CG-CB 4.45Å; L29-F76 HydrophobicContact CG-CD2 4.35Å; L29-F76 HydrophobicContact CG-CG 4.38Å; L29-V78 HydrophobicContact CD2-CG2 3.52Å
30S69.3Low66.8Low74 Ų7474 Ų7452%0.51742%0.421SS..Hα-helixtrans-72.3-18.7171.865.70000113.4Q26 N27Q26-S30 WeakPolarHBondContact O-CB 3.45Å; Q26-S30 PolarHBondContact O-N 3.32Å; Q26-S30 PolarHBondContact O-OG 3.29Å; Q26-S30 VanDerWaalsContact O-OG 3.11Å; N27-S30 WeakPolarHBondContact CA-OG 2.99Å; N27-S30 PolarHBondContact O-OG 2.77Å
31T65.9Low66.3Low102 Ų10271.6 Ų71.663%0.62642%0.415SS*.Hα-helixtrans-105.1-13.9-177.2530000114.9N27 L28 L29N27-T31 WeakPolarHBondContact O-CB 3.4Å; N27-T31 VanDerWaalsContact O-CG2 3.28Å; N27-T31 WeakPolarHBondContact O-CG2 3.22Å; N27-T31 PolarHBondContact O-N 2.69Å; N27-T31 PolarHBondContact O-OG1 2.95Å; L28-T31 PolarHBondContact O-OG1 3.49Å; L29-T31 VanDerWaalsContact C-N 3.25Å; L29-T31 PolarHBondContact O-N 3.17Å
32N59.1Low65.8Low74 Ų7471.1 Ų71.140%0.39641%0.413SS..  trans-134.6120.6-174.4-62.5-91.5000112.8L28 F34L28-N32 WeakPolarHBondContact O-CB 3.41Å; L28-N32 PolarHBondContact O-N 2.88Å; L28-N32 PolarHBondContact O-ND2 2.74Å; N32-F34 HydrophobicContact CB-CD2 3.97Å; N32-F34 HydrophobicContact CB-CE1 4.35Å; N32-F34 HydrophobicContact CB-CE2 3.58Å; N32-F34 HydrophobicContact CB-CZ 3.77Å; N32-F34 WeakPolarHBondContact O-CD2 3.49Å; N32-F34 PolarHBondContact O-N 3.02Å
33N55.3Low65.5Low165 Ų16572.7 Ų72.788%0.88242%0.42SS*.  trans-63.6124153.7-75.2-28000108.2P35N33-P35 WeakPolarHBondContact O-CD 3.31Å
34F56.5Low65.2Low72 Ų7275.8 Ų75.832%0.31643%0.43SS..  trans-107.976.5-178.8-81.9-72.2000113.1M1 L28 L29 N32 I37M1-F34 HydrophobicContact CB-CE1 4.48Å; L28-F34 HydrophobicContact CD2-CZ 4.35Å; L29-F34 HydrophobicContact CD2-CD2 3.79Å; L29-F34 HydrophobicContact CD2-CE2 3.91Å; N32-F34 HydrophobicContact CB-CD2 3.97Å; N32-F34 HydrophobicContact CB-CE1 4.35Å; N32-F34 HydrophobicContact CB-CE2 3.58Å; N32-F34 HydrophobicContact CB-CZ 3.77Å; N32-F34 WeakPolarHBondContact O-CD2 3.49Å; N32-F34 PolarHBondContact O-N 3.02Å; F34-I37 HydrophobicContact CB-CD1 4.07Å; F34-I37 HydrophobicContact CG-CD1 4.35Å
35P51.2Low65Low118 Ų11872.6 Ų72.677%0.76642%0.416SS*.THydrogen-bonded Turntrans-69.4140.4159.932.1-32000109.7N33N33-P35 WeakPolarHBondContact O-CD 3.31Å
36G55.2Low64.9Low83 Ų8372.6 Ų72.686%0.85642%0.416SS*.THydrogen-bonded Turntrans98.77.5165.600000118S38G36-S38 PolarHBondContact O-N 3.4Å
37I57.2Low65Low51 Ų5170.2 Ų70.226%0.26240%0.404SS..  trans-73.7118.7160.4-49162.5000106.9M1 F34 Y39 L42 V78M1-I37 HydrophobicContact CB-CD1 3.46Å; M1-I37 VanDerWaalsContact CB-CD1 3.46Å; M1-I37 HydrophobicContact CB-CG1 4.26Å; M1-I37 HydrophobicContact CG-CD1 3.77Å; F34-I37 HydrophobicContact CB-CD1 4.07Å; F34-I37 HydrophobicContact CG-CD1 4.35Å; I37-Y39 PolarHBondContact O-N 2.91Å; I37-L42 HydrophobicContact CB-CD1 3.82Å; I37-L42 HydrophobicContact CD1-CD1 4.29Å; I37-L42 HydrophobicContact CG2-CD1 3.43Å; I37-L42 VanDerWaalsContact CG2-CD1 3.43Å; I37-L42 HydrophobicContact CG2-CG 3.7Å; I37-V78 HydrophobicContact CD1-CG1 3.88Å
38S60.4Low65Low59 Ų5966.2 Ų66.241%0.41339%0.386SS..  trans-64.1128.8-179.964.30000110.4G36 A40 N41 L42G36-S38 PolarHBondContact O-N 3.4Å; S38-A40 PolarHBondContact O-N 3.39Å; S38-N41 PolarHBondContact O-N 2.75Å; S38-N41 WeakPolarHBondContact OG-CB 3.49Å; S38-N41 VanDerWaalsContact OG-CG 3.24Å; S38-N41 PolarHBondContact OG-ND2 3.36Å; S38-N41 VanDerWaalsContact OG-ND2 3.11Å; S38-L42 PolarHBondContact O-N 2.99Å
39Y62Low64.8Low54 Ų5468 Ų6821%0.21240%0.402CS..Hα-helixtrans-53.9-42.2-176.8178.9-111.9000111.6I37 N41 L42 E43 P80 L83 L84I37-Y39 PolarHBondContact O-N 2.91Å; Y39-N41 VanDerWaalsContact C-N 3.25Å; Y39-N41 PolarHBondContact O-N 3.29Å; Y39-L42 PolarHBondContact O-N 3.41Å; Y39-E43 WeakPolarHBondContact CE1-OE2 3.49Å; Y39-E43 WeakPolarHBondContact O-CB 3.47Å; Y39-E43 PolarHBondContact O-N 3.43Å; Y39-P80 HydrophobicContact CD2-CG 3.86Å; Y39-P80 HydrophobicContact CE2-CG 3.97Å; Y39-L83 HydrophobicContact CD2-CB 4.41Å; Y39-L83 HydrophobicContact CD2-CD1 4.22Å; Y39-L83 HydrophobicContact CE1-CB 4.05Å; Y39-L83 HydrophobicContact CE2-CB 3.79Å; Y39-L83 HydrophobicContact CE2-CD1 4.42Å; Y39-L83 HydrophobicContact CG-CD1 4.34Å; Y39-L83 PolarHBondContact OH-O 3.38Å; Y39-L84 PolarHBondContact OH-N 3.04Å
40A64.5Low64.6Low51 Ų5172.5 Ų72.542%0.42143%0.425SS..Hα-helixtrans-57.3-28.8176.100000114.9S38 K44S38-A40 PolarHBondContact O-N 3.39Å; A40-K44 VanDerWaalsContact O-CB 3.31Å; A40-K44 WeakPolarHBondContact O-CB 3.37Å; A40-K44 VanDerWaalsContact O-CG 3.31Å; A40-K44 WeakPolarHBondContact O-CG 3.39Å; A40-K44 PolarHBondContact O-N 3.06Å
41N67.4Low64.7Low103 Ų10369.1 Ų69.155%0.55140%0.402SS*.Hα-helixtrans-80.6-39.8177.7-77.4-10000112S38 Y39 L45S38-N41 PolarHBondContact O-N 2.75Å; S38-N41 WeakPolarHBondContact OG-CB 3.49Å; S38-N41 VanDerWaalsContact OG-CG 3.24Å; S38-N41 PolarHBondContact OG-ND2 3.36Å; S38-N41 VanDerWaalsContact OG-ND2 3.11Å; Y39-N41 VanDerWaalsContact C-N 3.25Å; Y39-N41 PolarHBondContact O-N 3.29Å; N41-L45 WeakPolarHBondContact O-CB 3.22Å; N41-L45 PolarHBondContact O-N 3.01Å
42L67.1Low65.1Low11 Ų1164.4 Ų64.46%0.05837%0.373CS..Hα-helixtrans-65.1-44170.9-82.8156.2000111.2I37 S38 Y39 L45 V46 L73 V78I37-L42 HydrophobicContact CB-CD1 3.82Å; I37-L42 HydrophobicContact CD1-CD1 4.29Å; I37-L42 HydrophobicContact CG2-CD1 3.43Å; I37-L42 VanDerWaalsContact CG2-CD1 3.43Å; I37-L42 HydrophobicContact CG2-CG 3.7Å; S38-L42 PolarHBondContact O-N 2.99Å; Y39-L42 PolarHBondContact O-N 3.41Å; L42-L45 CarbonylContact O-C 3.52Å; L42-L45 PolarHBondContact O-N 2.79Å; L42-L45 VanDerWaalsContact O-N 3.08Å; L42-V46 WeakPolarHBondContact O-CG2 3.45Å; L42-V46 PolarHBondContact O-N 2.79Å; L42-L73 HydrophobicContact CD2-CD2 4.3Å; L42-V78 HydrophobicContact CD1-CG1 3.87Å; L42-V78 VanDerWaalsContact CD1-O 3.32Å; L42-V78 WeakPolarHBondContact CD1-O 3.39Å; L42-V78 HydrophobicContact CD2-CG1 3.88Å
43E66.9Low65.8Low43 Ų4361.2 Ų61.220%0.20136%0.356CS..Hα-helixtrans-57.4-51.8175.7-179.8-164.112100111.6Y39 L45 V46 F47 R88Y39-E43 WeakPolarHBondContact CE1-OE2 3.49Å; Y39-E43 WeakPolarHBondContact O-CB 3.47Å; Y39-E43 PolarHBondContact O-N 3.43Å; E43-L45 PolarHBondContact O-N 3.39Å; E43-V46 PolarHBondContact O-N 3.39Å; E43-F47 HydrophobicContact CG-CD2 4.31Å; E43-F47 WeakPolarHBondContact O-CB 3.3Å; E43-F47 PolarHBondContact O-N 3.45Å; E43-R88 IonicContact OE1-CZ 3.36Å; E43-R88 IonicContact OE1-NH1 2.68Å; E43-R88 IonicContact OE1-NH2 3.35Å; E43-R88 PolarHBondContact OE1-NH2 3.24Å; E43-R88 IonicContact OE2-CZ 3.25Å; E43-R88 IonicContact OE2-NH1 2.79Å; E43-R88 PolarHBondContact OE2-NH1 2.92Å; E43-R88 IonicContact OE2-NH2 2.8Å; E43-R88 PolarHBondContact OE2-NH2 3.02Å
44K71.4Confident66.7Low151 Ų15160.3 Ų60.366%0.65734%0.34SS*.Hα-helixtrans-57.8-28.9174.2-85.1-178.9174.9-179.30113.1A40 G48A40-K44 VanDerWaalsContact O-CB 3.31Å; A40-K44 WeakPolarHBondContact O-CB 3.37Å; A40-K44 VanDerWaalsContact O-CG 3.31Å; A40-K44 WeakPolarHBondContact O-CG 3.39Å; A40-K44 PolarHBondContact O-N 3.06Å; K44-G48 WeakPolarHBondContact O-CA 3.43Å; K44-G48 PolarHBondContact O-N 3.34Å
45L70.4Confident67.5Low46 Ų4658.7 Ų58.724%0.24133%0.333CS..Hα-helixtrans-87.2-30.6-178.9-168.3142.1000113.3V5 V9 N41 L42 E43 G51 L52V5-L45 HydrophobicContact CB-CD1 4.36Å; V5-L45 HydrophobicContact CG1-CD1 3.4Å; V5-L45 VanDerWaalsContact CG1-CD1 3.4Å; V5-L45 HydrophobicContact CG1-CD2 3.2Å; V5-L45 HydrophobicContact CG1-CG 3.91Å; V9-L45 HydrophobicContact CG2-CD1 4.45Å; V9-L45 HydrophobicContact CG2-CD2 4.41Å; N41-L45 WeakPolarHBondContact O-CB 3.22Å; N41-L45 PolarHBondContact O-N 3.01Å; L42-L45 CarbonylContact O-C 3.52Å; L42-L45 PolarHBondContact O-N 2.79Å; L42-L45 VanDerWaalsContact O-N 3.08Å; E43-L45 PolarHBondContact O-N 3.39Å; L45-G51 CarbonylContact O-C 3.45Å; L45-G51 WeakPolarHBondContact O-CA 3.36Å; L45-L52 HydrophobicContact CD2-CD1 3.71Å; L45-L52 HydrophobicContact CD2-CG 3.88Å; L45-L52 PolarHBondContact O-N 3.46Å
46V72.2Confident68.5Low0 Ų053.3 Ų53.30%030%0.299CS..Hα-helixtrans-80.5-43.7174.2177.40000111L42 E43 L52 I53 L73 L79 L92L42-V46 WeakPolarHBondContact O-CG2 3.45Å; L42-V46 PolarHBondContact O-N 2.79Å; E43-V46 PolarHBondContact O-N 3.39Å; V46-L52 HydrophobicContact CG2-CD1 4.41Å; V46-L52 PolarHBondContact O-N 2.95Å; V46-I53 HydrophobicContact CG1-CD1 3.8Å; V46-I53 HydrophobicContact CG1-CG1 4.18Å; V46-I53 WeakPolarHBondContact O-CB 3.41Å; V46-I53 PolarHBondContact O-N 3.15Å; V46-I53 VanDerWaalsContact O-N 3.08Å; V46-L73 HydrophobicContact CG2-CD1 4.35Å; V46-L79 HydrophobicContact CG1-CD2 4.36Å; V46-L79 HydrophobicContact CG2-CD1 4.22Å; V46-L79 HydrophobicContact CG2-CD2 4.3Å; V46-L92 HydrophobicContact CG1-CD1 3.82Å
47F76.5Confident69.1Low46 Ų4654.7 Ų54.720%0.20228%0.283CS..Hα-helixtrans-112.2-3.6-168.9-59.5-80.9000115.5E43 I53 L84 R88 H91 L92E43-F47 HydrophobicContact CG-CD2 4.31Å; E43-F47 WeakPolarHBondContact O-CB 3.3Å; E43-F47 PolarHBondContact O-N 3.45Å; F47-I53 HydrophobicContact CD1-CD1 3.32Å; F47-I53 HydrophobicContact CE1-CD1 3.11Å; F47-I53 HydrophobicContact CG-CD1 4.22Å; F47-I53 HydrophobicContact CZ-CD1 3.89Å; F47-L84 HydrophobicContact CE2-CD2 3.49Å; F47-L84 VanDerWaalsContact CE2-CD2 3.49Å; F47-L84 HydrophobicContact CZ-CD2 3.65Å; F47-R88 HydrophobicContact CD1-CB 4.04Å; F47-R88 HydrophobicContact CD1-CG 3.78Å; F47-R88 HydrophobicContact CD2-CG 4.29Å; F47-R88 HydrophobicContact CE1-CB 3.53Å; F47-R88 HydrophobicContact CE1-CG 3.81Å; F47-R88 WeakPolarHBondContact CE1-O 3.49Å; F47-R88 HydrophobicContact CE2-CB 4.24Å; F47-R88 HydrophobicContact CE2-CG 4.32Å; F47-R88 HydrophobicContact CG-CG 4.05Å; F47-R88 HydrophobicContact CZ-CB 3.66Å; F47-R88 HydrophobicContact CZ-CG 4.11Å; F47-H91 HydrophobicContact CD1-CB 4.47Å; F47-H91 HydrophobicContact CE1-CB 4.36Å; F47-L92 HydrophobicContact CZ-CD1 4.33Å
48G74.1Confident69.6Low14 Ų1456.6 Ų56.614%0.14430%0.3CS..SBendtrans-70.6173.4-178.400000114K44 D50 G51K44-G48 WeakPolarHBondContact O-CA 3.43Å; K44-G48 PolarHBondContact O-N 3.34Å; G48-D50 PolarHBondContact O-N 2.94Å; G48-G51 PolarHBondContact O-N 2.96Å
49P67.4Low69.9Low101 Ų10155 Ų5566%0.65629%0.289SS*.THydrogen-bonded Turntrans-62.1-17.1179.627.3-36.1000113.6R54P49-R54 WeakPolarHBondContact O-CD 3.38Å; P49-R54 PolarHBondContact O-NH1 3.29Å
50D66.3Low69.8Low104 Ų10457.9 Ų57.956%0.55631%0.313SS*.THydrogen-bonded Turntrans-115.111.3179-98.835000112R13 G48R13-D50 IonicContact CZ-OD2 3.41Å; R13-D50 VanDerWaalsContact CZ-OD2 3.27Å; R13-D50 IonicContact NH1-OD2 3.1Å; R13-D50 PolarHBondContact NH1-OD2 3.44Å; R13-D50 VanDerWaalsContact NH2-CG 3.31Å; R13-D50 IonicContact NH2-OD2 2.75Å; R13-D50 PolarHBondContact NH2-OD2 3.46Å; G48-D50 PolarHBondContact O-N 2.94Å
51G71.9Confident69.7Low3 Ų363.9 Ų63.93%0.03133%0.332CS..SBendtrans-84.9169.1-164.700000116.1L45 G48 I53 R54 F55L45-G51 CarbonylContact O-C 3.45Å; L45-G51 WeakPolarHBondContact O-CA 3.36Å; G48-G51 PolarHBondContact O-N 2.96Å; G51-I53 VanDerWaalsContact C-N 3.29Å; G51-I53 PolarHBondContact O-N 2.85Å; G51-R54 PolarHBondContact O-N 3.1Å; G51-R54 VanDerWaalsContact O-N 3.13Å; G51-F55 PolarHBondContact O-N 3.37Å
52L73.7Confident69.7Low4 Ų461.7 Ų61.72%0.02132%0.318CS..Hα-helixtrans-57.2-36.2-174.3-68.7172.1000113.6F8 V9 L45 V46 F55 C56 A66 F69 I70 L73F8-L52 HydrophobicContact CD1-CD2 3.98Å; F8-L52 HydrophobicContact CE1-CD2 3.67Å; V9-L52 HydrophobicContact CG2-CD2 4.33Å; L45-L52 HydrophobicContact CD2-CD1 3.71Å; L45-L52 HydrophobicContact CD2-CG 3.88Å; L45-L52 PolarHBondContact O-N 3.46Å; V46-L52 HydrophobicContact CG2-CD1 4.41Å; V46-L52 PolarHBondContact O-N 2.95Å; L52-F55 WeakPolarHBondContact O-CB 3.17Å; L52-F55 PolarHBondContact O-N 3.47Å; L52-C56 PolarHBondContact O-N 2.69Å; L52-C56 PolarHBondContact O-SG 3.4Å; L52-A66 HydrophobicContact CD2-CB 4.48Å; L52-F69 HydrophobicContact CD1-CD1 3.85Å; L52-F69 HydrophobicContact CD1-CE1 4.31Å; L52-I70 HydrophobicContact CB-CD1 4.08Å; L52-I70 HydrophobicContact CB-CG1 4.35Å; L52-I70 HydrophobicContact CD1-CG1 4.26Å; L52-L73 HydrophobicContact CD1-CD1 4.19Å
53I74.8Confident70Confident7 Ų761.3 Ų61.34%0.03632%0.316CS..Hα-helixtrans-64.7-48.8176.2-77166.6000111.4V46 F47 G51 F55 C56 E57 H91 L92 A95V46-I53 HydrophobicContact CG1-CD1 3.8Å; V46-I53 HydrophobicContact CG1-CG1 4.18Å; V46-I53 WeakPolarHBondContact O-CB 3.41Å; V46-I53 PolarHBondContact O-N 3.15Å; V46-I53 VanDerWaalsContact O-N 3.08Å; F47-I53 HydrophobicContact CD1-CD1 3.32Å; F47-I53 HydrophobicContact CE1-CD1 3.11Å; F47-I53 HydrophobicContact CG-CD1 4.22Å; F47-I53 HydrophobicContact CZ-CD1 3.89Å; G51-I53 VanDerWaalsContact C-N 3.29Å; G51-I53 PolarHBondContact O-N 2.85Å; I53-F55 PolarHBondContact O-N 2.88Å; I53-C56 WeakPolarHBondContact O-CA 3.43Å; I53-C56 VanDerWaalsContact O-CB 3.31Å; I53-C56 WeakPolarHBondContact O-CB 3.3Å; I53-C56 PolarHBondContact O-N 3.23Å; I53-E57 WeakPolarHBondContact O-CG 3.44Å; I53-E57 PolarHBondContact O-N 2.79Å; I53-H91 HydrophobicContact CD1-CB 4.14Å; I53-H91 HydrophobicContact CG2-CB 4.36Å; I53-L92 HydrophobicContact CD1-CB 4.29Å; I53-L92 HydrophobicContact CD1-CD1 3.81Å; I53-L92 HydrophobicContact CG1-CD1 4.12Å; I53-A95 HydrophobicContact CB-CB 4.38Å; I53-A95 HydrophobicContact CG1-CB 4.01Å; I53-A95 HydrophobicContact CG2-CB 4.17Å
54R73.7Confident70.3Confident145 Ų14561 Ų6155%0.54732%0.315SS..Hα-helixtrans-64.6-30.4177-153.1-173.8-166.2-168.32.3111.5P49 G51 S58P49-R54 WeakPolarHBondContact O-CD 3.38Å; P49-R54 PolarHBondContact O-NH1 3.29Å; G51-R54 PolarHBondContact O-N 3.1Å; G51-R54 VanDerWaalsContact O-N 3.13Å; R54-S58 VanDerWaalsContact O-CB 3.28Å; R54-S58 WeakPolarHBondContact O-CB 3.43Å; R54-S58 PolarHBondContact O-N 3.2Å; R54-S58 PolarHBondContact O-OG 2.96Å
55F72.4Confident70.5Confident38 Ų3856.2 Ų56.217%0.16729%0.293CS..Hα-helixtrans-63.8-46.6170.3-169.8-81.8000111.8M12 G51 L52 I53 E57 S58 S59 K62 A66M12-F55 HydrophobicContact CB-CE1 4.49Å; M12-F55 HydrophobicContact CB-CE2 3.97Å; M12-F55 HydrophobicContact CB-CZ 3.91Å; M12-F55 HydrophobicContact CE-CD1 3.77Å; M12-F55 HydrophobicContact CE-CE1 3.27Å; M12-F55 HydrophobicContact CE-CZ 3.86Å; M12-F55 HydrophobicContact SD-CE1 4.32Å; M12-F55 HydrophobicContact SD-CZ 4.38Å; G51-F55 PolarHBondContact O-N 3.37Å; L52-F55 WeakPolarHBondContact O-CB 3.17Å; L52-F55 PolarHBondContact O-N 3.47Å; I53-F55 PolarHBondContact O-N 2.88Å; F55-E57 VanDerWaalsContact C-N 3.31Å; F55-E57 PolarHBondContact O-N 2.8Å; F55-S58 WeakPolarHBondContact CA-OG 3.31Å; F55-S58 PolarHBondContact O-N 3.4Å; F55-S58 VanDerWaalsContact O-N 3.11Å; F55-S58 PolarHBondContact O-OG 3.04Å; F55-S59 PolarHBondContact O-N 2.9Å; F55-K62 HydrophobicContact CE1-CB 3.68Å; F55-K62 HydrophobicContact CZ-CB 3.81Å; F55-K62 HydrophobicContact CZ-CD 3.83Å; F55-A66 HydrophobicContact CD1-CB 4.01Å
56C72.4Confident70.8Confident6 Ų654 Ų544%0.04128%0.281CS..Hα-helixtrans-56-44.4175.6-67.70000112.4L52 I53 S58 S63 A66 A95 V99L52-C56 PolarHBondContact O-N 2.69Å; L52-C56 PolarHBondContact O-SG 3.4Å; I53-C56 WeakPolarHBondContact O-CA 3.43Å; I53-C56 VanDerWaalsContact O-CB 3.31Å; I53-C56 WeakPolarHBondContact O-CB 3.3Å; I53-C56 PolarHBondContact O-N 3.23Å; C56-S58 VanDerWaalsContact C-N 3.34Å; C56-S58 PolarHBondContact O-N 3.09Å; C56-S63 WeakPolarHBondContact O-CB 3.33Å; C56-A66 VanDerWaalsContact SG-CB 3.5Å; C56-A95 HydrophobicContact CB-CB 4.05Å; C56-V99 HydrophobicContact CB-CG2 3.85Å
57E68Low71Confident112 Ų11254 Ų5452%0.52328%0.281SS..Hα-helixtrans-63.6-37176-65.8169.1164.100112.4I53 F55I53-E57 WeakPolarHBondContact O-CG 3.44Å; I53-E57 PolarHBondContact O-N 2.79Å; F55-E57 VanDerWaalsContact C-N 3.31Å; F55-E57 PolarHBondContact O-N 2.8Å
58S68.8Low71Confident90 Ų9054.8 Ų54.863%0.62929%0.285SS*.Hα-helixtrans-83-19.7-173.173.30000116.3R54 F55 C56R54-S58 VanDerWaalsContact O-CB 3.28Å; R54-S58 WeakPolarHBondContact O-CB 3.43Å; R54-S58 PolarHBondContact O-N 3.2Å; R54-S58 PolarHBondContact O-OG 2.96Å; F55-S58 WeakPolarHBondContact CA-OG 3.31Å; F55-S58 PolarHBondContact O-N 3.4Å; F55-S58 VanDerWaalsContact O-N 3.11Å; F55-S58 PolarHBondContact O-OG 3.04Å; C56-S58 VanDerWaalsContact C-N 3.34Å; C56-S58 PolarHBondContact O-N 3.09Å
59S65.5Low71.2Confident26 Ų2654.1 Ų54.118%0.18228%0.278CS..  trans-137.891.6-165.8-164.50000114F55 Q61 K62 S63F55-S59 PolarHBondContact O-N 2.9Å; S59-Q61 PolarHBondContact O-N 3.09Å; S59-K62 PolarHBondContact O-N 3.24Å; S59-S63 WeakPolarHBondContact O-CB 3.14Å; S59-S63 PolarHBondContact O-N 3.49Å; S59-S63 PolarHBondContact O-OG 3.02Å
60T59.9Low71.7Confident115 Ų11549.3 Ų49.371%0.70625%0.247SC*.THydrogen-bonded Turntrans-55.1-26.3177.152.40000114.7
61Q63.6Low72.2Confident176 Ų17645 Ų4582%0.82223%0.225SC*.THydrogen-bonded Turntrans-101.4-13.4-170.9-154.7173.821.200114.2S59S59-Q61 PolarHBondContact O-N 3.09Å
62K67.9Low72.4Confident58 Ų5845.4 Ų45.425%0.25223%0.226SC..THydrogen-bonded Turntrans-120.4-17.7178.5-68.8175.4177.8170.40113.5M12 F55 S59 E64 Y65M12-K62 HydrophobicContact CE-CB 4.26Å; M12-K62 WeakPolarHBondContact CE-O 2.99Å; M12-K62 PolarHBondContact O-NZ 2.84Å; M12-K62 HydrophobicContact SD-CB 4.34Å; F55-K62 HydrophobicContact CE1-CB 3.68Å; F55-K62 HydrophobicContact CZ-CB 3.81Å; F55-K62 HydrophobicContact CZ-CD 3.83Å; S59-K62 PolarHBondContact O-N 3.24Å; K62-E64 PolarHBondContact O-N 2.86Å; K62-E64 VanDerWaalsContact O-N 3.09Å; K62-Y65 PolarHBondContact O-N 3.49Å
63S71.9Confident72.6Confident3 Ų345.2 Ų45.22%0.02123%0.225CC..Hα-helixtrans-58.4-25.2-173.956.50000114.4C56 S59 Y65 A66 V67C56-S63 WeakPolarHBondContact O-CB 3.33Å; S59-S63 WeakPolarHBondContact O-CB 3.14Å; S59-S63 PolarHBondContact O-N 3.49Å; S59-S63 PolarHBondContact O-OG 3.02Å; S63-Y65 VanDerWaalsContact C-N 3.3Å; S63-Y65 PolarHBondContact O-N 3.29Å; S63-A66 PolarHBondContact O-N 2.83Å; S63-A66 VanDerWaalsContact O-N 3.1Å; S63-V67 PolarHBondContact O-N 3.08Å
64E73.8Confident72.6Confident37 Ų3745.8 Ų45.817%0.17323%0.229CC..Hα-helixtrans-48.9-50.7169.5-66.7-167.3140.700112.1K62 A66 V67 E68 S103 K105 L108K62-E64 PolarHBondContact O-N 2.86Å; K62-E64 VanDerWaalsContact O-N 3.09Å; E64-A66 VanDerWaalsContact C-N 3.33Å; E64-A66 PolarHBondContact O-N 2.81Å; E64-V67 PolarHBondContact O-N 3.24Å; E64-E68 WeakPolarHBondContact O-CB 3.34Å; E64-E68 PolarHBondContact O-N 2.71Å; E64-S103 VanDerWaalsContact OE1-CB 3.28Å; E64-S103 WeakPolarHBondContact OE1-CB 3.36Å; E64-S103 PolarHBondContact OE1-OG 3.4Å; E64-K105 VanDerWaalsContact OE2-CD 3.3Å; E64-K105 WeakPolarHBondContact OE2-CD 3.21Å; E64-K105 WeakPolarHBondContact OE2-CE 3.38Å; E64-K105 IonicContact OE2-NZ 3.27Å; E64-K105 PolarHBondContact OE2-NZ 2.97Å; E64-L108 VanDerWaalsContact CA-CD1 3.49Å; E64-L108 HydrophobicContact CB-CD1 3.56Å; E64-L108 HydrophobicContact CG-CD1 3.99Å; E64-L108 VanDerWaalsContact O-CD1 3.28Å; E64-L108 WeakPolarHBondContact O-CD1 3.32Å
65Y75.6Confident72.7Confident50 Ų5047.3 Ų47.320%0.19624%0.24CC..Hα-helixtrans-66.6-34.3-179.7-64-56.3000112.3F8 P18 T19 I22 K62 S63 V67 E68 F69F8-Y65 WeakPolarHBondContact CZ-O 3.48Å; P18-Y65 HydrophobicContact CG-CD1 3.86Å; P18-Y65 HydrophobicContact CG-CD2 3.32Å; P18-Y65 HydrophobicContact CG-CE1 4.28Å; P18-Y65 HydrophobicContact CG-CE2 3.78Å; P18-Y65 HydrophobicContact CG-CG 3.35Å; T19-Y65 HydrophobicContact CG2-CE1 3.93Å; I22-Y65 HydrophobicContact CD1-CD1 3.64Å; I22-Y65 HydrophobicContact CD1-CG 4.23Å; K62-Y65 PolarHBondContact O-N 3.49Å; S63-Y65 VanDerWaalsContact C-N 3.3Å; S63-Y65 PolarHBondContact O-N 3.29Å; Y65-V67 VanDerWaalsContact C-N 3.35Å; Y65-E68 PolarHBondContact O-N 3.1Å; Y65-F69 VanDerWaalsContact O-CB 3.3Å; Y65-F69 WeakPolarHBondContact O-CB 3.42Å; Y65-F69 PolarHBondContact O-N 3.08Å
66A76.8Confident72.7Confident0 Ų049.1 Ų49.10%025%0.248CC..Hα-helixtrans-68.1-35.5176.500000111.8M12 L52 F55 C56 S63 E64 I70M12-A66 HydrophobicContact CE-CB 3.76Å; L52-A66 HydrophobicContact CD2-CB 4.48Å; F55-A66 HydrophobicContact CD1-CB 4.01Å; C56-A66 VanDerWaalsContact SG-CB 3.5Å; S63-A66 PolarHBondContact O-N 2.83Å; S63-A66 VanDerWaalsContact O-N 3.1Å; E64-A66 VanDerWaalsContact C-N 3.33Å; E64-A66 PolarHBondContact O-N 2.81Å; A66-I70 WeakPolarHBondContact O-CB 3.47Å; A66-I70 VanDerWaalsContact O-CG1 3.26Å; A66-I70 WeakPolarHBondContact O-CG1 3.45Å; A66-I70 PolarHBondContact O-N 3.39Å
67V76.9Confident72.5Confident0 Ų051.2 Ų51.20%027%0.27CS..Hα-helixtrans-77.2-33.6174.8171.90000112.6S63 E64 Y65 F69 I70 S71 V96 V99 C112S63-V67 PolarHBondContact O-N 3.08Å; E64-V67 PolarHBondContact O-N 3.24Å; Y65-V67 VanDerWaalsContact C-N 3.35Å; V67-F69 VanDerWaalsContact C-N 3.33Å; V67-I70 PolarHBondContact O-N 2.88Å; V67-S71 VanDerWaalsContact O-CB 3.29Å; V67-S71 WeakPolarHBondContact O-CB 3.35Å; V67-S71 PolarHBondContact O-N 3.32Å; V67-S71 PolarHBondContact O-OG 3.37Å; V67-V96 HydrophobicContact CG1-CG1 4.42Å; V67-V96 HydrophobicContact CG1-CG2 4.19Å; V67-V99 HydrophobicContact CB-CB 4.47Å; V67-V99 HydrophobicContact CB-CG1 4.08Å; V67-V99 HydrophobicContact CG2-CB 3.72Å; V67-V99 HydrophobicContact CG2-CG1 3.8Å; V67-V99 HydrophobicContact CG2-CG2 3.73Å; V67-C112 WeakPolarHBondContact CG1-SG 3.15Å
68E76.2Confident72.7Confident61 Ų6146.6 Ų46.629%0.28525%0.25SC..Hα-helixtrans-60.4-43.7168.9-171.2161.2-136.600110.7I22 E64 Y65 S71 M72I22-E68 HydrophobicContact CD1-CG 4.45Å; I22-E68 HydrophobicContact CG2-CG 4.45Å; E64-E68 WeakPolarHBondContact O-CB 3.34Å; E64-E68 PolarHBondContact O-N 2.71Å; Y65-E68 PolarHBondContact O-N 3.1Å; E68-S71 PolarHBondContact O-N 2.79Å; E68-M72 WeakPolarHBondContact O-CB 3.43Å; E68-M72 PolarHBondContact O-N 3.35Å
69F78.8Confident72.8Confident1 Ų142.4 Ų42.40%0.00422%0.22CC..Hα-helixtrans-66.3-42.7174.4-160.8-92.8000113.3M1 V5 F8 T25 L52 Y65 V67 M72 L73M1-F69 HydrophobicContact CE-CZ 4.31Å; V5-F69 HydrophobicContact CB-CE1 4.43Å; V5-F69 HydrophobicContact CB-CZ 4.23Å; V5-F69 HydrophobicContact CG1-CE1 3.95Å; V5-F69 HydrophobicContact CG1-CZ 4.22Å; V5-F69 HydrophobicContact CG2-CE1 4.1Å; V5-F69 HydrophobicContact CG2-CZ 3.85Å; F8-F69 HydrophobicContact CB-CD2 4.48Å; F8-F69 HydrophobicContact CB-CE2 3.98Å; F8-F69 HydrophobicContact CB-CZ 4.17Å; F8-F69 HydrophobicContact CD1-CD1 4.26Å; F8-F69 HydrophobicContact CD1-CD2 4.17Å; F8-F69 HydrophobicContact CD1-CE1 4.48Å; F8-F69 HydrophobicContact CD1-CE2 4.38Å; F8-F69 HydrophobicContact CD1-CG 4.1Å; F8-F69 AromaticContact CD2-CD2 3.55Å; F8-F69 HydrophobicContact CD2-CD2 3.55Å; F8-F69 AromaticContact CD2-CE2 3.83Å; F8-F69 HydrophobicContact CD2-CE2 3.83Å; F8-F69 HydrophobicContact CD2-CG 4.18Å; F8-F69 HydrophobicContact CE1-CB 3.99Å; F8-F69 HydrophobicContact CE1-CD1 4.34Å; F8-F69 HydrophobicContact CE1-CD2 4.31Å; F8-F69 AromaticContact CE1-CG 3.97Å; F8-F69 HydrophobicContact CE1-CG 3.97Å; F8-F69 HydrophobicContact CE2-CB 4.01Å; F8-F69 AromaticContact CE2-CD2 3.7Å; F8-F69 HydrophobicContact CE2-CD2 3.7Å; F8-F69 HydrophobicContact CE2-CE2 4.44Å; F8-F69 HydrophobicContact CE2-CG 4.05Å; F8-F69 AromaticContact CG-CD2 3.8Å; F8-F69 HydrophobicContact CG-CD2 3.8Å; F8-F69 AromaticContact CG-CE2 3.8Å; F8-F69 HydrophobicContact CG-CE2 3.8Å; F8-F69 HydrophobicContact CG-CG 4.21Å; F8-F69 HydrophobicContact CG-CZ 4.22Å; F8-F69 HydrophobicContact CZ-CB 3.66Å; F8-F69 HydrophobicContact CZ-CD2 4.09Å; F8-F69 AromaticContact CZ-CG 3.94Å; F8-F69 HydrophobicContact CZ-CG 3.94Å; T25-F69 HydrophobicContact CG2-CE2 3.82Å; T25-F69 HydrophobicContact CG2-CZ 4.19Å; L52-F69 HydrophobicContact CD1-CD1 3.85Å; L52-F69 HydrophobicContact CD1-CE1 4.31Å; Y65-F69 VanDerWaalsContact O-CB 3.3Å; Y65-F69 WeakPolarHBondContact O-CB 3.42Å; Y65-F69 PolarHBondContact O-N 3.08Å; V67-F69 VanDerWaalsContact C-N 3.33Å; F69-M72 WeakPolarHBondContact O-CB 3.38Å; F69-M72 PolarHBondContact O-N 3.4Å; F69-L73 HydrophobicContact CD1-CD1 3.82Å; F69-L73 HydrophobicContact CD1-CG 4.09Å; F69-L73 HydrophobicContact CE1-CD1 3.85Å; F69-L73 HydrophobicContact CE1-CD2 4.28Å; F69-L73 HydrophobicContact CE1-CG 4.06Å; F69-L73 WeakPolarHBondContact O-CG 3.36Å; F69-L73 PolarHBondContact O-N 3.13Å
70I78Confident73.1Confident0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-60.8-44.5172.8-76.8164.2000111L52 A66 V67 M72 L73 V74 L92 L115L52-I70 HydrophobicContact CB-CD1 4.08Å; L52-I70 HydrophobicContact CB-CG1 4.35Å; L52-I70 HydrophobicContact CD1-CG1 4.26Å; A66-I70 WeakPolarHBondContact O-CB 3.47Å; A66-I70 VanDerWaalsContact O-CG1 3.26Å; A66-I70 WeakPolarHBondContact O-CG1 3.45Å; A66-I70 PolarHBondContact O-N 3.39Å; V67-I70 PolarHBondContact O-N 2.88Å; I70-M72 VanDerWaalsContact C-N 3.28Å; I70-M72 PolarHBondContact O-N 2.9Å; I70-L73 PolarHBondContact O-N 3.32Å; I70-V74 PolarHBondContact O-N 3.05Å; I70-L92 HydrophobicContact CD1-CD1 4.2Å; I70-L92 HydrophobicContact CG1-CD1 4.47Å; I70-L92 HydrophobicContact CG2-CD1 3.72Å; I70-L92 HydrophobicContact CG2-CD2 4.29Å; I70-L92 HydrophobicContact CG2-CG 4.17Å; I70-L115 HydrophobicContact CG2-CD2 4.29Å
71S74.9Confident73.5Confident13 Ų1338.5 Ų38.59%0.09120%0.196CC..Hα-helixtrans-61.7-39.7177.8-58.10000110.9V67 E68 K75V67-S71 VanDerWaalsContact O-CB 3.29Å; V67-S71 WeakPolarHBondContact O-CB 3.35Å; V67-S71 PolarHBondContact O-N 3.32Å; V67-S71 PolarHBondContact O-OG 3.37Å; E68-S71 PolarHBondContact O-N 2.79Å; S71-K75 WeakPolarHBondContact O-CB 3.34Å; S71-K75 PolarHBondContact O-N 3.23Å
72M76.3Confident73.9Confident11 Ų1138.1 Ų38.15%0.05419%0.192CC..Hα-helixtrans-64.1-47.4173.3-170.2-173.9-6200112.2I22 Q26 L29 E68 F69 I70 V74 K75 F76I22-M72 HydrophobicContact CG2-CE 3.55Å; Q26-M72 HydrophobicContact CB-CE 3.71Å; Q26-M72 HydrophobicContact CB-SD 4.03Å; Q26-M72 HydrophobicContact CG-CE 4.26Å; L29-M72 HydrophobicContact CD1-CG 3.73Å; L29-M72 HydrophobicContact CD1-SD 3.83Å; E68-M72 WeakPolarHBondContact O-CB 3.43Å; E68-M72 PolarHBondContact O-N 3.35Å; F69-M72 WeakPolarHBondContact O-CB 3.38Å; F69-M72 PolarHBondContact O-N 3.4Å; I70-M72 VanDerWaalsContact C-N 3.28Å; I70-M72 PolarHBondContact O-N 2.9Å; M72-V74 VanDerWaalsContact C-N 3.29Å; M72-V74 PolarHBondContact O-N 3.43Å; M72-K75 PolarHBondContact O-N 2.66Å; M72-F76 HydrophobicContact CG-CD2 3.71Å; M72-F76 HydrophobicContact CG-CE2 3.84Å; M72-F76 WeakPolarHBondContact O-CD2 3.35Å; M72-F76 PolarHBondContact O-N 2.85Å
73L77.6Confident74.1Confident1 Ų140.4 Ų40.41%0.00521%0.206CC..Hα-helixtrans-57.1-39.8177.4-74.6173.2000112.6M1 L42 V46 L52 F69 I70 V78 L79M1-L73 HydrophobicContact CE-CD2 3.48Å; M1-L73 VanDerWaalsContact CE-CD2 3.48Å; L42-L73 HydrophobicContact CD2-CD2 4.3Å; V46-L73 HydrophobicContact CG2-CD1 4.35Å; L52-L73 HydrophobicContact CD1-CD1 4.19Å; F69-L73 HydrophobicContact CD1-CD1 3.82Å; F69-L73 HydrophobicContact CD1-CG 4.09Å; F69-L73 HydrophobicContact CE1-CD1 3.85Å; F69-L73 HydrophobicContact CE1-CD2 4.28Å; F69-L73 HydrophobicContact CE1-CG 4.06Å; F69-L73 WeakPolarHBondContact O-CG 3.36Å; F69-L73 PolarHBondContact O-N 3.13Å; I70-L73 PolarHBondContact O-N 3.32Å; L73-V78 HydrophobicContact CD2-CB 3.98Å; L73-V78 HydrophobicContact CD2-CG1 3.74Å; L73-V78 WeakPolarHBondContact O-CA 3.2Å; L73-V78 WeakPolarHBondContact O-CB 3.45Å; L73-V78 PolarHBondContact O-N 3.32Å; L73-L79 HydrophobicContact CB-CB 4.15Å; L73-L79 PolarHBondContact O-N 3.39Å
74V76.3Confident74.2Confident18 Ų1840.5 Ų40.511%0.10921%0.206CC..Hα-helixtrans-75.4-44.4176.3173.70000111.5I70 M72 F76 G77 L79 T81 L115 F121I70-V74 PolarHBondContact O-N 3.05Å; M72-V74 VanDerWaalsContact C-N 3.29Å; M72-V74 PolarHBondContact O-N 3.43Å; V74-F76 VanDerWaalsContact C-N 3.26Å; V74-F76 PolarHBondContact O-N 3.04Å; V74-G77 PolarHBondContact O-N 3.3Å; V74-L79 HydrophobicContact CG2-CB 4.08Å; V74-L79 HydrophobicContact CG2-CD2 3.95Å; V74-L79 HydrophobicContact CG2-CG 4.41Å; V74-T81 HydrophobicContact CG1-CG2 3.64Å; V74-T81 HydrophobicContact CG2-CG2 4.12Å; V74-L115 HydrophobicContact CB-CD1 3.68Å; V74-L115 HydrophobicContact CG1-CD1 3.52Å; V74-L115 HydrophobicContact CG2-CD1 3.95Å; V74-F121 HydrophobicContact CG1-CE2 4.29Å; V74-F121 HydrophobicContact CG2-CZ 4.43Å
75K75.3Confident74.4Confident177 Ų17742.7 Ų42.777%0.7722%0.219SC*.Hα-helixtrans-59.6-33.4-179-178.1175.9179.2179.50113.4S71 M72S71-K75 WeakPolarHBondContact O-CB 3.34Å; S71-K75 PolarHBondContact O-N 3.23Å; M72-K75 PolarHBondContact O-N 2.66Å
76F73Confident74.1Confident77 Ų7743.6 Ų43.634%0.33823%0.227SC..THydrogen-bonded Turntrans-94.613.3175.2-71.9-79.7000113.6Q26 L29 M72 V74 V78Q26-F76 HydrophobicContact CG-CE2 4.44Å; L29-F76 HydrophobicContact CB-CB 4.13Å; L29-F76 HydrophobicContact CB-CD1 3.81Å; L29-F76 HydrophobicContact CB-CD2 3.71Å; L29-F76 HydrophobicContact CB-CE1 4.06Å; L29-F76 HydrophobicContact CB-CE2 3.96Å; L29-F76 HydrophobicContact CB-CG 3.63Å; L29-F76 HydrophobicContact CB-CZ 4.12Å; L29-F76 HydrophobicContact CD1-CB 4.14Å; L29-F76 HydrophobicContact CD1-CD2 3.74Å; L29-F76 HydrophobicContact CD1-CE2 4.39Å; L29-F76 HydrophobicContact CD1-CG 4.11Å; L29-F76 HydrophobicContact CD2-CB 4.36Å; L29-F76 HydrophobicContact CG-CB 4.45Å; L29-F76 HydrophobicContact CG-CD2 4.35Å; L29-F76 HydrophobicContact CG-CG 4.38Å; M72-F76 HydrophobicContact CG-CD2 3.71Å; M72-F76 HydrophobicContact CG-CE2 3.84Å; M72-F76 WeakPolarHBondContact O-CD2 3.35Å; M72-F76 PolarHBondContact O-N 2.85Å; V74-F76 VanDerWaalsContact C-N 3.26Å; V74-F76 PolarHBondContact O-N 3.04Å; F76-V78 HydrophobicContact CB-CG2 4.14Å; F76-V78 PolarHBondContact O-N 2.93Å; F76-V78 VanDerWaalsContact O-N 3.08Å
77G68Low74.1Confident50 Ų5050.5 Ų50.552%0.51526%0.257SS..THydrogen-bonded Turntrans68.35.3176.300000115.7V74 L79V74-G77 PolarHBondContact O-N 3.3Å; G77-L79 VanDerWaalsContact C-N 3.35Å
78V72.1Confident74.1Confident15 Ų1553.3 Ų53.39%0.09127%0.268CS..SBendtrans-68.5-35.4-177.5-175.60000111.4M1 L29 I37 L42 L73 F76 P80M1-V78 HydrophobicContact CG-CG1 4.45Å; L29-V78 HydrophobicContact CD2-CG2 3.52Å; I37-V78 HydrophobicContact CD1-CG1 3.88Å; L42-V78 HydrophobicContact CD1-CG1 3.87Å; L42-V78 VanDerWaalsContact CD1-O 3.32Å; L42-V78 WeakPolarHBondContact CD1-O 3.39Å; L42-V78 HydrophobicContact CD2-CG1 3.88Å; L73-V78 HydrophobicContact CD2-CB 3.98Å; L73-V78 HydrophobicContact CD2-CG1 3.74Å; L73-V78 WeakPolarHBondContact O-CA 3.2Å; L73-V78 WeakPolarHBondContact O-CB 3.45Å; L73-V78 PolarHBondContact O-N 3.32Å; F76-V78 HydrophobicContact CB-CG2 4.14Å; F76-V78 PolarHBondContact O-N 2.93Å; F76-V78 VanDerWaalsContact O-N 3.08Å; V78-P80 VanDerWaalsContact C-CD 3.5Å; V78-P80 WeakPolarHBondContact O-CD 3Å
79L71.6Confident74.2Confident1 Ų151.6 Ų51.61%0.00526%0.259CS..SBendtrans-99.589.5167.4-172.967000108.7V46 L73 V74 G77 T81 L84 L92V46-L79 HydrophobicContact CG1-CD2 4.36Å; V46-L79 HydrophobicContact CG2-CD1 4.22Å; V46-L79 HydrophobicContact CG2-CD2 4.3Å; L73-L79 HydrophobicContact CB-CB 4.15Å; L73-L79 PolarHBondContact O-N 3.39Å; V74-L79 HydrophobicContact CG2-CB 4.08Å; V74-L79 HydrophobicContact CG2-CD2 3.95Å; V74-L79 HydrophobicContact CG2-CG 4.41Å; G77-L79 VanDerWaalsContact C-N 3.35Å; L79-T81 PolarHBondContact O-N 2.93Å; L79-L84 HydrophobicContact CD1-CD2 4.26Å; L79-L84 HydrophobicContact CD2-CD1 4.45Å; L79-L92 HydrophobicContact CD2-CD1 4.44Å; L79-L92 HydrophobicContact CD2-CD2 4.33Å
80P69.9Low74Confident44 Ų4453.9 Ų53.929%0.28627%0.272SS..  trans-65.2104.2-177.825.4-35.2000110.6Y39 V78 K82 L83Y39-P80 HydrophobicContact CD2-CG 3.86Å; Y39-P80 HydrophobicContact CE2-CG 3.97Å; V78-P80 VanDerWaalsContact C-CD 3.5Å; V78-P80 WeakPolarHBondContact O-CD 3Å; P80-K82 PolarHBondContact O-N 3.43Å; P80-L83 HydrophobicContact CB-CD1 4.3Å; P80-L83 HydrophobicContact CB-CG 4.43Å; P80-L83 HydrophobicContact CG-CB 4.37Å; P80-L83 HydrophobicContact CG-CD1 3.83Å; P80-L83 HydrophobicContact CG-CG 4.34Å; P80-L83 PolarHBondContact O-N 2.82Å
81T70.1Confident73.9Confident15 Ų1557.9 Ų57.99%0.09229%0.29CS..G310 helixtrans-58.4-31-17539.30000113.4V74 L79 L83 L84 D120 F121V74-T81 HydrophobicContact CG1-CG2 3.64Å; V74-T81 HydrophobicContact CG2-CG2 4.12Å; L79-T81 PolarHBondContact O-N 2.93Å; T81-L83 VanDerWaalsContact C-N 3.27Å; T81-L83 PolarHBondContact O-N 3.19Å; T81-L84 HydrophobicContact CG2-CD1 4.48Å; T81-L84 WeakPolarHBondContact O-CB 3.4Å; T81-L84 PolarHBondContact O-N 3.13Å; T81-D120 VanDerWaalsContact CB-OD2 3.31Å; T81-D120 WeakPolarHBondContact CB-OD2 3.45Å; T81-D120 PolarHBondContact OG1-OD2 3.11Å; T81-F121 HydrophobicContact CG2-CE1 4.23Å; T81-F121 HydrophobicContact CG2-CE2 3.59Å; T81-F121 HydrophobicContact CG2-CZ 3.37Å
82K70.4Confident74.1Confident169 Ų16957.4 Ų57.474%0.73529%0.286SS*.G310 helixtrans-67.8-17.2174.7-61.5-170.8177-172.10115P80 D120P80-K82 PolarHBondContact O-N 3.43Å; K82-D120 VanDerWaalsContact CE-OD1 3.31Å; K82-D120 WeakPolarHBondContact CE-OD1 3.28Å; K82-D120 WeakPolarHBondContact CG-OD1 3.42Å; K82-D120 WeakPolarHBondContact CG-OD2 3.26Å
83L72.2Confident74.1Confident105 Ų10557 Ų5755%0.5528%0.284SS..G310 helixtrans-97.1-5175.9-66.1179.4000113Y39 P80 T81 N85Y39-L83 HydrophobicContact CD2-CB 4.41Å; Y39-L83 HydrophobicContact CD2-CD1 4.22Å; Y39-L83 HydrophobicContact CE1-CB 4.05Å; Y39-L83 HydrophobicContact CE2-CB 3.79Å; Y39-L83 HydrophobicContact CE2-CD1 4.42Å; Y39-L83 HydrophobicContact CG-CD1 4.34Å; Y39-L83 PolarHBondContact OH-O 3.38Å; P80-L83 HydrophobicContact CB-CD1 4.3Å; P80-L83 HydrophobicContact CB-CG 4.43Å; P80-L83 HydrophobicContact CG-CB 4.37Å; P80-L83 HydrophobicContact CG-CD1 3.83Å; P80-L83 HydrophobicContact CG-CG 4.34Å; P80-L83 PolarHBondContact O-N 2.82Å; T81-L83 VanDerWaalsContact C-N 3.27Å; T81-L83 PolarHBondContact O-N 3.19Å; L83-N85 PolarHBondContact O-N 3.04Å
84L74Confident74Confident6 Ų658.9 Ų58.93%0.03130%0.298CS..SBendtrans-76.6120.4174.5-61.9174.5000109.2Y39 F47 L79 T81 R88 K89 L92 F121Y39-L84 PolarHBondContact OH-N 3.04Å; F47-L84 HydrophobicContact CE2-CD2 3.49Å; F47-L84 VanDerWaalsContact CE2-CD2 3.49Å; F47-L84 HydrophobicContact CZ-CD2 3.65Å; L79-L84 HydrophobicContact CD1-CD2 4.26Å; L79-L84 HydrophobicContact CD2-CD1 4.45Å; T81-L84 HydrophobicContact CG2-CD1 4.48Å; T81-L84 WeakPolarHBondContact O-CB 3.4Å; T81-L84 PolarHBondContact O-N 3.13Å; L84-R88 HydrophobicContact CB-CB 4.32Å; L84-R88 HydrophobicContact CD2-CB 4.19Å; L84-K89 HydrophobicContact CB-CG 3.8Å; L84-K89 WeakPolarHBondContact O-CE 3.46Å; L84-L92 HydrophobicContact CD1-CD2 4.38Å; L84-F121 HydrophobicContact CD1-CE1 3.89Å; L84-F121 HydrophobicContact CD1-CZ 4.23Å
85N77.9Confident73.9Confident83 Ų8358 Ų5844%0.44429%0.293SS..  trans-64.7157.8167.770.510.8000110.5L83 K87 R88 K89L83-N85 PolarHBondContact O-N 3.04Å; N85-K87 VanDerWaalsContact C-N 3.31Å; N85-K87 PolarHBondContact O-N 3.27Å; N85-R88 WeakPolarHBondContact O-CA 3.04Å; N85-R88 WeakPolarHBondContact O-CB 3.5Å; N85-R88 PolarHBondContact O-N 3.17Å; N85-R88 WeakPolarHBondContact OD1-CB 3.31Å; N85-R88 WeakPolarHBondContact OD1-CD 3.48Å; N85-R88 WeakPolarHBondContact OD1-CG 3.49Å; N85-R88 PolarHBondContact OD1-N 3.05Å; N85-K89 PolarHBondContact O-N 3.5Å
86L70.8Confident74Confident69 Ų6949.7 Ų49.736%0.36126%0.257SS..Hα-helixtrans-51.7-49.2-173.7-176.556.3000112R88 K89 D90 E123 A124L86-R88 PolarHBondContact O-N 3.02Å; L86-R88 VanDerWaalsContact O-N 3.09Å; L86-K89 HydrophobicContact CD1-CD 4.42Å; L86-K89 CarbonylContact O-C 3.55Å; L86-K89 WeakPolarHBondContact O-CA 3.39Å; L86-K89 VanDerWaalsContact O-CB 3.29Å; L86-K89 WeakPolarHBondContact O-CB 3.45Å; L86-K89 PolarHBondContact O-N 3.38Å; L86-D90 PolarHBondContact O-N 3.11Å; L86-D90 VanDerWaalsContact O-OD2 3.11Å; L86-E123 HydrophobicContact CD1-CB 4.38Å; L86-E123 HydrophobicContact CD1-CG 3.77Å; L86-E123 HydrophobicContact CD2-CG 4.49Å; L86-A124 HydrophobicContact CD1-CB 4.02Å
87K75.8Confident74Confident145 Ų14546.2 Ų46.263%0.6324%0.242SC*.Hα-helixtrans-50.7-38.9175.2-172.4168.6-176.7170.70113.7N85 D90 H91N85-K87 VanDerWaalsContact C-N 3.31Å; N85-K87 PolarHBondContact O-N 3.27Å; K87-D90 WeakPolarHBondContact CA-OD2 3.37Å; K87-D90 PolarHBondContact N-OD2 2.88Å; K87-H91 PolarHBondContact O-N 3.46Å; K87-H91 VanDerWaalsContact O-N 3.1Å; K87-H91 PolarHBondContact O-ND1 2.85Å
88R77.9Confident74.2Confident59 Ų5945.4 Ų45.422%0.22323%0.228CC..Hα-helixtrans-74.9-38.4175.4-74.9169-169.8179.2-4.4112.6E43 F47 L84 N85 L86 D90 H91 L92E43-R88 IonicContact OE1-CZ 3.36Å; E43-R88 IonicContact OE1-NH1 2.68Å; E43-R88 IonicContact OE1-NH2 3.35Å; E43-R88 PolarHBondContact OE1-NH2 3.24Å; E43-R88 IonicContact OE2-CZ 3.25Å; E43-R88 IonicContact OE2-NH1 2.79Å; E43-R88 PolarHBondContact OE2-NH1 2.92Å; E43-R88 IonicContact OE2-NH2 2.8Å; E43-R88 PolarHBondContact OE2-NH2 3.02Å; F47-R88 HydrophobicContact CD1-CB 4.04Å; F47-R88 HydrophobicContact CD1-CG 3.78Å; F47-R88 HydrophobicContact CD2-CG 4.29Å; F47-R88 HydrophobicContact CE1-CB 3.53Å; F47-R88 HydrophobicContact CE1-CG 3.81Å; F47-R88 WeakPolarHBondContact CE1-O 3.49Å; F47-R88 HydrophobicContact CE2-CB 4.24Å; F47-R88 HydrophobicContact CE2-CG 4.32Å; F47-R88 HydrophobicContact CG-CG 4.05Å; F47-R88 HydrophobicContact CZ-CB 3.66Å; F47-R88 HydrophobicContact CZ-CG 4.11Å; L84-R88 HydrophobicContact CB-CB 4.32Å; L84-R88 HydrophobicContact CD2-CB 4.19Å; N85-R88 WeakPolarHBondContact O-CA 3.04Å; N85-R88 WeakPolarHBondContact O-CB 3.5Å; N85-R88 PolarHBondContact O-N 3.17Å; N85-R88 WeakPolarHBondContact OD1-CB 3.31Å; N85-R88 WeakPolarHBondContact OD1-CD 3.48Å; N85-R88 WeakPolarHBondContact OD1-CG 3.49Å; N85-R88 PolarHBondContact OD1-N 3.05Å; L86-R88 PolarHBondContact O-N 3.02Å; L86-R88 VanDerWaalsContact O-N 3.09Å; R88-D90 VanDerWaalsContact C-N 3.27Å; R88-D90 PolarHBondContact O-N 2.98Å; R88-H91 PolarHBondContact O-N 3.13Å; R88-L92 WeakPolarHBondContact O-CB 3.15Å; R88-L92 PolarHBondContact O-N 2.9Å
89K77.6Confident74.3Confident24 Ų2444.8 Ų44.810%0.10422%0.224CC..Hα-helixtrans-56.9-45170-59.7179-177.6-175.50110L84 N85 L86 L92 V93 D120 F121 E123 A124L84-K89 HydrophobicContact CB-CG 3.8Å; L84-K89 WeakPolarHBondContact O-CE 3.46Å; N85-K89 PolarHBondContact O-N 3.5Å; L86-K89 HydrophobicContact CD1-CD 4.42Å; L86-K89 CarbonylContact O-C 3.55Å; L86-K89 WeakPolarHBondContact O-CA 3.39Å; L86-K89 VanDerWaalsContact O-CB 3.29Å; L86-K89 WeakPolarHBondContact O-CB 3.45Å; L86-K89 PolarHBondContact O-N 3.38Å; K89-L92 PolarHBondContact O-N 2.84Å; K89-V93 WeakPolarHBondContact O-CB 3.23Å; K89-V93 VanDerWaalsContact O-CG2 3.28Å; K89-V93 WeakPolarHBondContact O-CG2 3.4Å; K89-V93 PolarHBondContact O-N 3.12Å; K89-D120 VanDerWaalsContact CD-O 3.32Å; K89-D120 WeakPolarHBondContact CD-O 3.34Å; K89-D120 WeakPolarHBondContact CE-O 3.28Å; K89-D120 PolarHBondContact NZ-O 3.25Å; K89-F121 HydrophobicContact CB-CD1 4.11Å; K89-F121 HydrophobicContact CB-CE1 4.48Å; K89-F121 HydrophobicContact CG-CD1 4.25Å; K89-F121 HydrophobicContact CG-CE1 4.44Å; K89-E123 IonicContact NZ-OE2 3.57Å; K89-E123 PolarHBondContact NZ-OE2 3.34Å; K89-E123 VanDerWaalsContact NZ-OE2 3.12Å; K89-A124 HydrophobicContact CB-CB 3.5Å
90D73.8Confident74.4Confident50 Ų5044.9 Ų44.927%0.26723%0.225SC..Hα-helixtrans-60.7-46.6178.2-52.9-35.7000112.4L86 K87 R88 L92 V93 S94 A124L86-D90 PolarHBondContact O-N 3.11Å; L86-D90 VanDerWaalsContact O-OD2 3.11Å; K87-D90 WeakPolarHBondContact CA-OD2 3.37Å; K87-D90 PolarHBondContact N-OD2 2.88Å; R88-D90 VanDerWaalsContact C-N 3.27Å; R88-D90 PolarHBondContact O-N 2.98Å; D90-L92 VanDerWaalsContact C-N 3.33Å; D90-L92 PolarHBondContact O-N 3.2Å; D90-V93 PolarHBondContact O-N 2.96Å; D90-S94 WeakPolarHBondContact O-CB 3.19Å; D90-S94 PolarHBondContact O-N 2.99Å; D90-A124 WeakPolarHBondContact OD1-CA 3.04Å; D90-A124 WeakPolarHBondContact OD1-CB 3.19Å
91H76.7Confident74.3Confident84 Ų8448.4 Ų48.439%0.38924%0.236SC..Hα-helixtrans-64.3-38.2177.2-75.865.3000111.6F47 I53 K87 R88 A95F47-H91 HydrophobicContact CD1-CB 4.47Å; F47-H91 HydrophobicContact CE1-CB 4.36Å; I53-H91 HydrophobicContact CD1-CB 4.14Å; I53-H91 HydrophobicContact CG2-CB 4.36Å; K87-H91 PolarHBondContact O-N 3.46Å; K87-H91 VanDerWaalsContact O-N 3.1Å; K87-H91 PolarHBondContact O-ND1 2.85Å; R88-H91 PolarHBondContact O-N 3.13Å; H91-A95 WeakPolarHBondContact O-CB 3.35Å; H91-A95 PolarHBondContact O-N 2.81Å
92L79.4Confident74.3Confident2 Ų252.7 Ų52.71%0.0126%0.258CS..Hα-helixtrans-67.6-46.4176.5-161.180.1000111.4V46 F47 I53 I70 L79 L84 R88 K89 D90 S94 A95 V96 F121V46-L92 HydrophobicContact CG1-CD1 3.82Å; F47-L92 HydrophobicContact CZ-CD1 4.33Å; I53-L92 HydrophobicContact CD1-CB 4.29Å; I53-L92 HydrophobicContact CD1-CD1 3.81Å; I53-L92 HydrophobicContact CG1-CD1 4.12Å; I70-L92 HydrophobicContact CD1-CD1 4.2Å; I70-L92 HydrophobicContact CG1-CD1 4.47Å; I70-L92 HydrophobicContact CG2-CD1 3.72Å; I70-L92 HydrophobicContact CG2-CD2 4.29Å; I70-L92 HydrophobicContact CG2-CG 4.17Å; L79-L92 HydrophobicContact CD2-CD1 4.44Å; L79-L92 HydrophobicContact CD2-CD2 4.33Å; L84-L92 HydrophobicContact CD1-CD2 4.38Å; R88-L92 WeakPolarHBondContact O-CB 3.15Å; R88-L92 PolarHBondContact O-N 2.9Å; K89-L92 PolarHBondContact O-N 2.84Å; D90-L92 VanDerWaalsContact C-N 3.33Å; D90-L92 PolarHBondContact O-N 3.2Å; L92-S94 VanDerWaalsContact C-N 3.35Å; L92-S94 PolarHBondContact O-N 2.83Å; L92-A95 PolarHBondContact O-N 2.87Å; L92-V96 WeakPolarHBondContact O-CB 3.47Å; L92-V96 VanDerWaalsContact O-CG2 3.22Å; L92-V96 WeakPolarHBondContact O-CG2 3.47Å; L92-V96 PolarHBondContact O-N 3.28Å; L92-F121 HydrophobicContact CD2-CE1 3.53Å; L92-F121 HydrophobicContact CD2-CE2 4.44Å; L92-F121 HydrophobicContact CD2-CZ 3.39Å
93V76Confident74.3Confident3 Ų345 Ų452%0.01823%0.225CC..Hα-helixtrans-62.2-41.9176.8167.60000110.8K89 D90 V96 L97 L116 F121 A124 I125K89-V93 WeakPolarHBondContact O-CB 3.23Å; K89-V93 VanDerWaalsContact O-CG2 3.28Å; K89-V93 WeakPolarHBondContact O-CG2 3.4Å; K89-V93 PolarHBondContact O-N 3.12Å; D90-V93 PolarHBondContact O-N 2.96Å; V93-V96 PolarHBondContact O-N 3.45Å; V93-L97 HydrophobicContact CG1-CD1 3.62Å; V93-L97 HydrophobicContact CG1-CG 4.35Å; V93-L97 VanDerWaalsContact O-CB 3.3Å; V93-L97 WeakPolarHBondContact O-CB 3.32Å; V93-L97 VanDerWaalsContact O-CG 3.27Å; V93-L97 WeakPolarHBondContact O-CG 3.37Å; V93-L97 PolarHBondContact O-N 2.88Å; V93-L116 HydrophobicContact CG1-CD2 4.13Å; V93-L116 HydrophobicContact CG2-CD2 4.28Å; V93-F121 HydrophobicContact CG2-CB 4.25Å; V93-F121 HydrophobicContact CG2-CD1 4.15Å; V93-F121 HydrophobicContact CG2-CG 4.41Å; V93-A124 HydrophobicContact CG2-CB 4.11Å; V93-I125 HydrophobicContact CG1-CG1 3.87Å; V93-I125 HydrophobicContact CG2-CG1 3.84Å
94S74.7Confident74Confident41 Ų4151.7 Ų51.729%0.28724%0.243SC..Hα-helixtrans-62.4-43.9174.7-173.80000112.5D90 L92 L97 S98D90-S94 WeakPolarHBondContact O-CB 3.19Å; D90-S94 PolarHBondContact O-N 2.99Å; L92-S94 VanDerWaalsContact C-N 3.35Å; L92-S94 PolarHBondContact O-N 2.83Å; S94-L97 PolarHBondContact O-N 3.21Å; S94-S98 VanDerWaalsContact O-CB 3.28Å; S94-S98 WeakPolarHBondContact O-CB 3.09Å; S94-S98 PolarHBondContact O-N 3Å; S94-S98 PolarHBondContact O-OG 3.39Å
95A75Confident73.9Confident0 Ų055.1 Ų55.10%026%0.258CS..Hα-helixtrans-63.6-45.6174.600000112I53 C56 H91 L92 L97 S98 V99I53-A95 HydrophobicContact CB-CB 4.38Å; I53-A95 HydrophobicContact CG1-CB 4.01Å; I53-A95 HydrophobicContact CG2-CB 4.17Å; C56-A95 HydrophobicContact CB-CB 4.05Å; H91-A95 WeakPolarHBondContact O-CB 3.35Å; H91-A95 PolarHBondContact O-N 2.81Å; L92-A95 PolarHBondContact O-N 2.87Å; A95-L97 PolarHBondContact O-N 2.83Å; A95-S98 PolarHBondContact O-OG 3.42Å; A95-S98 VanDerWaalsContact O-OG 3.07Å; A95-V99 WeakPolarHBondContact O-CB 3.36Å; A95-V99 WeakPolarHBondContact O-CG2 3.42Å; A95-V99 PolarHBondContact O-N 3.46Å; A95-V99 VanDerWaalsContact O-N 3.17Å
96V77.8Confident73.5Confident2 Ų254.5 Ų54.51%0.01225%0.252CS..Hα-helixtrans-62.3-44.3178171.40000111.1V67 L92 V93 V99 T100 C112 L115 L116V67-V96 HydrophobicContact CG1-CG1 4.42Å; V67-V96 HydrophobicContact CG1-CG2 4.19Å; L92-V96 WeakPolarHBondContact O-CB 3.47Å; L92-V96 VanDerWaalsContact O-CG2 3.22Å; L92-V96 WeakPolarHBondContact O-CG2 3.47Å; L92-V96 PolarHBondContact O-N 3.28Å; V93-V96 PolarHBondContact O-N 3.45Å; V96-V99 PolarHBondContact O-N 2.84Å; V96-T100 WeakPolarHBondContact O-CG2 3.49Å; V96-T100 PolarHBondContact O-N 3.24Å; V96-T100 PolarHBondContact O-OG1 2.97Å; V96-T100 VanDerWaalsContact O-OG1 3.13Å; V96-C112 HydrophobicContact CG1-CB 3.77Å; V96-L115 HydrophobicContact CG1-CD2 4.38Å; V96-L115 HydrophobicContact CG2-CD2 3.69Å; V96-L116 HydrophobicContact CG1-CD1 4.28Å; V96-L116 HydrophobicContact CG1-CD2 4.48Å; V96-L116 HydrophobicContact CG1-CG 4.31Å
97L72.8Confident73.7Confident4 Ų459.2 Ų59.22%0.02127%0.27CS..Hα-helixtrans-74.1-33.3-178.5-70.4172.1000113.8V93 S94 A95 V99 T100 K101 L116 S128 I130 L131V93-L97 HydrophobicContact CG1-CD1 3.62Å; V93-L97 HydrophobicContact CG1-CG 4.35Å; V93-L97 VanDerWaalsContact O-CB 3.3Å; V93-L97 WeakPolarHBondContact O-CB 3.32Å; V93-L97 VanDerWaalsContact O-CG 3.27Å; V93-L97 WeakPolarHBondContact O-CG 3.37Å; V93-L97 PolarHBondContact O-N 2.88Å; S94-L97 PolarHBondContact O-N 3.21Å; A95-L97 PolarHBondContact O-N 2.83Å; L97-V99 VanDerWaalsContact C-N 3.31Å; L97-T100 WeakPolarHBondContact CA-OG1 3.46Å; L97-T100 PolarHBondContact O-OG1 2.93Å; L97-K101 VanDerWaalsContact O-CB 3.32Å; L97-K101 WeakPolarHBondContact O-CB 3.29Å; L97-K101 PolarHBondContact O-N 3.5Å; L97-L116 HydrophobicContact CD2-CD1 3.65Å; L97-L116 HydrophobicContact CG-CD1 4.37Å; L97-L116 HydrophobicContact CG-CD2 4.43Å; L97-S128 WeakPolarHBondContact CD1-OG 3.43Å; L97-I130 HydrophobicContact CB-CB 3.98Å; L97-I130 HydrophobicContact CB-CD1 4.35Å; L97-I130 HydrophobicContact CB-CG2 3.72Å; L97-I130 HydrophobicContact CD1-CB 4.05Å; L97-L131 HydrophobicContact CD1-CD1 4.2Å; L97-L131 HydrophobicContact CD2-CD1 3.86Å
98S72.7Confident73.6Confident33 Ų3352.5 Ų52.523%0.23124%0.241CC..Hα-helixtrans-70.6-27.9174.158.80000112.5S94 A95 N102S94-S98 VanDerWaalsContact O-CB 3.28Å; S94-S98 WeakPolarHBondContact O-CB 3.09Å; S94-S98 PolarHBondContact O-N 3Å; S94-S98 PolarHBondContact O-OG 3.39Å; A95-S98 PolarHBondContact O-OG 3.42Å; A95-S98 VanDerWaalsContact O-OG 3.07Å; S98-N102 PolarHBondContact O-ND2 2.97Å
99V74.2Confident73.4Confident2 Ų250.1 Ų50.11%0.01223%0.232CC..Hα-helixtrans-82.6-44.3176.4175.10000112.3C56 V67 A95 V96 L97 K101 N102 S103C56-V99 HydrophobicContact CB-CG2 3.85Å; V67-V99 HydrophobicContact CB-CB 4.47Å; V67-V99 HydrophobicContact CB-CG1 4.08Å; V67-V99 HydrophobicContact CG2-CB 3.72Å; V67-V99 HydrophobicContact CG2-CG1 3.8Å; V67-V99 HydrophobicContact CG2-CG2 3.73Å; A95-V99 WeakPolarHBondContact O-CB 3.36Å; A95-V99 WeakPolarHBondContact O-CG2 3.42Å; A95-V99 PolarHBondContact O-N 3.46Å; A95-V99 VanDerWaalsContact O-N 3.17Å; V96-V99 PolarHBondContact O-N 2.84Å; L97-V99 VanDerWaalsContact C-N 3.31Å; V99-K101 VanDerWaalsContact C-N 3.27Å; V99-K101 PolarHBondContact O-N 2.91Å; V99-N102 PolarHBondContact O-N 3.21Å; V99-S103 PolarHBondContact O-N 2.67Å
100T72.2Confident73.2Confident3 Ų350.4 Ų50.42%0.01823%0.234CC..Hα-helixtrans-58.1-40.6174.247.40000111.8V96 L97 N102 S103 L108 W109 C112V96-T100 WeakPolarHBondContact O-CG2 3.49Å; V96-T100 PolarHBondContact O-N 3.24Å; V96-T100 PolarHBondContact O-OG1 2.97Å; V96-T100 VanDerWaalsContact O-OG1 3.13Å; L97-T100 WeakPolarHBondContact CA-OG1 3.46Å; L97-T100 PolarHBondContact O-OG1 2.93Å; T100-N102 PolarHBondContact O-N 3.14Å; T100-N102 VanDerWaalsContact O-N 3.1Å; T100-S103 PolarHBondContact O-N 2.83Å; T100-S103 VanDerWaalsContact O-N 3.11Å; T100-L108 HydrophobicContact CG2-CD2 4Å; T100-W109 WeakPolarHBondContact O-CZ2 3.48Å; T100-W109 PolarHBondContact O-NE1 3.23Å; T100-C112 HydrophobicContact CG2-CB 3.28Å; T100-C112 WeakPolarHBondContact CG2-SG 3.11Å
101K69.5Low73.2Confident118 Ų11850 Ų5051%0.51324%0.235SC..THydrogen-bonded Turntrans-53.3-30.3174.7-169.4177.9-178.9-176.50113.9L97 V99 T134L97-K101 VanDerWaalsContact O-CB 3.32Å; L97-K101 WeakPolarHBondContact O-CB 3.29Å; L97-K101 PolarHBondContact O-N 3.5Å; V99-K101 VanDerWaalsContact C-N 3.27Å; V99-K101 PolarHBondContact O-N 2.91Å; K101-T134 HydrophobicContact CB-CG2 3.88Å; K101-T134 HydrophobicContact CG-CG2 4.46Å
102N69Low73.2Confident104 Ų10446 Ų4656%0.55622%0.217SC*.THydrogen-bonded Turntrans-99.9-18.7-179.3-67.9-46.8000113.4S98 V99 T100S98-N102 PolarHBondContact O-ND2 2.97Å; V99-N102 PolarHBondContact O-N 3.21Å; T100-N102 PolarHBondContact O-N 3.14Å; T100-N102 VanDerWaalsContact O-N 3.1Å
103S70.5Confident72.9Confident8 Ų846.4 Ų46.46%0.05622%0.219CC..  trans-82139.4-175.3-176.50000113.2E64 V99 T100 K105 W109E64-S103 VanDerWaalsContact OE1-CB 3.28Å; E64-S103 WeakPolarHBondContact OE1-CB 3.36Å; E64-S103 PolarHBondContact OE1-OG 3.4Å; V99-S103 PolarHBondContact O-N 2.67Å; T100-S103 PolarHBondContact O-N 2.83Å; T100-S103 VanDerWaalsContact O-N 3.11Å; S103-K105 PolarHBondContact OG-N 2.98Å; S103-K105 VanDerWaalsContact OG-N 3.1Å; S103-W109 PolarHBondContact O-NE1 3.24Å
104R66.7Low72.9Confident246 Ų24649.4 Ų49.493%0.92824%0.24SC*.  trans-100.12.1169.8-62-174.8-179-173.90.6113.3E106R104-E106 PolarHBondContact O-N 3.07Å
105K71.5Confident72.9Confident78 Ų7848 Ų4834%0.33923%0.229SC..  trans-85.5109.6-175.7-73.6177.9177.9158.80111.5E64 S103 K107 L108 W109E64-K105 VanDerWaalsContact OE2-CD 3.3Å; E64-K105 WeakPolarHBondContact OE2-CD 3.21Å; E64-K105 WeakPolarHBondContact OE2-CE 3.38Å; E64-K105 IonicContact OE2-NZ 3.27Å; E64-K105 PolarHBondContact OE2-NZ 2.97Å; S103-K105 PolarHBondContact OG-N 2.98Å; S103-K105 VanDerWaalsContact OG-N 3.1Å; K105-K107 VanDerWaalsContact C-N 3.31Å; K105-K107 PolarHBondContact O-N 2.78Å; K105-L108 HydrophobicContact CB-CB 3.85Å; K105-L108 WeakPolarHBondContact O-CB 3.38Å; K105-L108 PolarHBondContact O-N 3.08Å; K105-W109 PolarHBondContact O-N 2.96Å
106E69.9Low72.8Confident69 Ų6948.7 Ų48.732%0.32223%0.233SC..Hα-helixtrans-46.5-49172176.8125.7-121.200113.1R104 L108 W109 I110 S139 V142R104-E106 PolarHBondContact O-N 3.07Å; E106-L108 VanDerWaalsContact C-N 3.3Å; E106-L108 PolarHBondContact O-N 3.37Å; E106-W109 WeakPolarHBondContact O-CB 3.44Å; E106-W109 PolarHBondContact O-N 3.24Å; E106-I110 HydrophobicContact CG-CD1 3.88Å; E106-I110 WeakPolarHBondContact O-CG1 3.26Å; E106-I110 PolarHBondContact O-N 2.81Å; E106-S139 VanDerWaalsContact CD-OG 3.29Å; E106-S139 WeakPolarHBondContact OE1-CB 3.19Å; E106-S139 PolarHBondContact OE1-OG 3.17Å; E106-S139 WeakPolarHBondContact OE2-CB 3.28Å; E106-V142 HydrophobicContact CB-CG2 4.29Å; E106-V142 HydrophobicContact CG-CG2 3.86Å; E106-V142 WeakPolarHBondContact OE1-CG2 3.29Å; E106-V142 PolarHBondContact OE1-N 2.88Å
107K73.8Confident72.4Confident169 Ų16949.5 Ų49.574%0.73524%0.24SC*.Hα-helixtrans-59.9-35.8177.2-67.9-173.3175.5-1750113.8K105 S111K105-K107 VanDerWaalsContact C-N 3.31Å; K105-K107 PolarHBondContact O-N 2.78Å; K107-S111 WeakPolarHBondContact O-CB 3.38Å; K107-S111 PolarHBondContact O-N 3.3Å; K107-S111 PolarHBondContact O-OG 3.22Å
108L73.8Confident72.5Confident3 Ų351.8 Ų51.82%0.01625%0.252CS..Hα-helixtrans-73.2-41.9177.6-172.9145.7000110.3E64 T100 K105 E106 S111 C112E64-L108 VanDerWaalsContact CA-CD1 3.49Å; E64-L108 HydrophobicContact CB-CD1 3.56Å; E64-L108 HydrophobicContact CG-CD1 3.99Å; E64-L108 VanDerWaalsContact O-CD1 3.28Å; E64-L108 WeakPolarHBondContact O-CD1 3.32Å; T100-L108 HydrophobicContact CG2-CD2 4Å; K105-L108 HydrophobicContact CB-CB 3.85Å; K105-L108 WeakPolarHBondContact O-CB 3.38Å; K105-L108 PolarHBondContact O-N 3.08Å; E106-L108 VanDerWaalsContact C-N 3.3Å; E106-L108 PolarHBondContact O-N 3.37Å; L108-S111 PolarHBondContact O-N 3.46Å; L108-C112 VanDerWaalsContact CD2-SG 3.55Å; L108-C112 WeakPolarHBondContact O-CB 3.45Å; L108-C112 PolarHBondContact O-N 3.15Å; L108-C112 PolarHBondContact O-SG 2.55Å
109W73.6Confident72.4Confident10 Ų1056.5 Ų56.54%0.03827%0.271CS..Hα-helixtrans-56-51.2171.8-89.291000112.2T100 S103 K105 E106 S111 C112 L113 T134 V135 T137 V142T100-W109 WeakPolarHBondContact O-CZ2 3.48Å; T100-W109 PolarHBondContact O-NE1 3.23Å; S103-W109 PolarHBondContact O-NE1 3.24Å; K105-W109 PolarHBondContact O-N 2.96Å; E106-W109 WeakPolarHBondContact O-CB 3.44Å; E106-W109 PolarHBondContact O-N 3.24Å; W109-S111 VanDerWaalsContact C-N 3.32Å; W109-S111 PolarHBondContact O-N 3.14Å; W109-C112 PolarHBondContact O-N 2.64Å; W109-L113 HydrophobicContact CE3-CD1 4.12Å; W109-L113 HydrophobicContact CE3-CG 4.43Å; W109-L113 WeakPolarHBondContact O-CB 3.33Å; W109-L113 WeakPolarHBondContact O-CD1 3.37Å; W109-L113 WeakPolarHBondContact O-CG 3.23Å; W109-L113 PolarHBondContact O-N 3.25Å; W109-T134 HydrophobicContact CH2-CG2 3.62Å; W109-T134 VanDerWaalsContact CH2-O 3.26Å; W109-T134 WeakPolarHBondContact CH2-O 3.16Å; W109-T134 HydrophobicContact CZ2-CG2 4.26Å; W109-T134 HydrophobicContact CZ3-CG2 4.47Å; W109-V135 HydrophobicContact CZ3-CG2 4.49Å; W109-T137 HydrophobicContact CD2-CG2 4.18Å; W109-T137 HydrophobicContact CG-CG2 4.47Å; W109-T137 HydrophobicContact CZ2-CG2 4.14Å; W109-V142 HydrophobicContact CB-CB 4.41Å; W109-V142 HydrophobicContact CB-CG1 3.89Å; W109-V142 HydrophobicContact CB-CG2 3.55Å; W109-V142 HydrophobicContact CD2-CG1 4.16Å; W109-V142 HydrophobicContact CE3-CG1 3.92Å; W109-V142 HydrophobicContact CG-CG1 4.19Å; W109-V142 HydrophobicContact CG-CG2 4.33Å
110I73.8Confident72.3Confident30 Ų3058 Ų5815%0.15428%0.279CS..Hα-helixtrans-57.4-44.7175.9-68.7164.3000111.1E106 L113 S114 E141 V142 Q145E106-I110 HydrophobicContact CG-CD1 3.88Å; E106-I110 WeakPolarHBondContact O-CG1 3.26Å; E106-I110 PolarHBondContact O-N 2.81Å; I110-L113 PolarHBondContact O-N 2.94Å; I110-S114 WeakPolarHBondContact O-CB 3.41Å; I110-S114 PolarHBondContact O-N 2.9Å; I110-E141 HydrophobicContact CD1-CB 4.37Å; I110-E141 HydrophobicContact CD1-CG 3.73Å; I110-V142 HydrophobicContact CG1-CG2 4.13Å; I110-Q145 HydrophobicContact CG2-CG 4.2Å
111S73.9Confident72.4Confident40 Ų4058 Ų5828%0.2828%0.278SS..Hα-helixtrans-63.4-46.8178.8-59.70000111.9K107 L108 W109 S114 L115K107-S111 WeakPolarHBondContact O-CB 3.38Å; K107-S111 PolarHBondContact O-N 3.3Å; K107-S111 PolarHBondContact O-OG 3.22Å; L108-S111 PolarHBondContact O-N 3.46Å; W109-S111 VanDerWaalsContact C-N 3.32Å; W109-S111 PolarHBondContact O-N 3.14Å; S111-S114 PolarHBondContact O-N 3.25Å; S111-S114 PolarHBondContact O-OG 3.03Å; S111-L115 PolarHBondContact O-N 3.26Å
112C76Confident72.2Confident1 Ų152.6 Ų52.61%0.00726%0.255CS..Hα-helixtrans-67.5-38.7179.4-64.20000112.3V67 V96 T100 L108 W109 S114 L115 L116V67-C112 WeakPolarHBondContact CG1-SG 3.15Å; V96-C112 HydrophobicContact CG1-CB 3.77Å; T100-C112 HydrophobicContact CG2-CB 3.28Å; T100-C112 WeakPolarHBondContact CG2-SG 3.11Å; L108-C112 VanDerWaalsContact CD2-SG 3.55Å; L108-C112 WeakPolarHBondContact O-CB 3.45Å; L108-C112 PolarHBondContact O-N 3.15Å; L108-C112 PolarHBondContact O-SG 2.55Å; W109-C112 PolarHBondContact O-N 2.64Å; C112-S114 VanDerWaalsContact C-N 3.33Å; C112-L115 WeakPolarHBondContact O-CB 3.4Å; C112-L115 PolarHBondContact O-N 3.32Å; C112-L116 WeakPolarHBondContact O-CB 3.17Å; C112-L116 WeakPolarHBondContact O-CD1 3.31Å; C112-L116 WeakPolarHBondContact O-CG 3.08Å; C112-L116 PolarHBondContact O-N 2.86Å
113L73.7Confident72Confident10 Ų1051.5 Ų51.55%0.05225%0.247CC..Hα-helixtrans-65.6-37174-69.9166.4000111.3W109 I110 L115 L116 A117 V142 Q145 A146W109-L113 HydrophobicContact CE3-CD1 4.12Å; W109-L113 HydrophobicContact CE3-CG 4.43Å; W109-L113 WeakPolarHBondContact O-CB 3.33Å; W109-L113 WeakPolarHBondContact O-CD1 3.37Å; W109-L113 WeakPolarHBondContact O-CG 3.23Å; W109-L113 PolarHBondContact O-N 3.25Å; I110-L113 PolarHBondContact O-N 2.94Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L113-L116 PolarHBondContact O-N 3.47Å; L113-A117 WeakPolarHBondContact O-CB 3.35Å; L113-A117 PolarHBondContact O-N 2.88Å; L113-V142 HydrophobicContact CD1-CG1 3.99Å; L113-V142 WeakPolarHBondContact CD1-O 3.44Å; L113-Q145 HydrophobicContact CB-CG 4.27Å; L113-Q145 HydrophobicContact CD1-CB 4.3Å; L113-A146 HydrophobicContact CD1-CB 3.76Å; L113-A146 HydrophobicContact CD2-CB 4.07Å
114S75.1Confident71.9Confident67 Ų6751.1 Ų51.147%0.46925%0.245SC..Hα-helixtrans-66.9-33.5172.578.80000113.1I110 S111 C112I110-S114 WeakPolarHBondContact O-CB 3.41Å; I110-S114 PolarHBondContact O-N 2.9Å; S111-S114 PolarHBondContact O-N 3.25Å; S111-S114 PolarHBondContact O-OG 3.03Å; C112-S114 VanDerWaalsContact C-N 3.33Å
115L75.5Confident71.9Confident11 Ų1139.5 Ų39.56%0.05820%0.201CC..Hα-helixtrans-69.8-43.7174.9-178.364.3000111.4I70 V74 V96 S111 C112 L113 A117 N118 F121I70-L115 HydrophobicContact CG2-CD2 4.29Å; V74-L115 HydrophobicContact CB-CD1 3.68Å; V74-L115 HydrophobicContact CG1-CD1 3.52Å; V74-L115 HydrophobicContact CG2-CD1 3.95Å; V96-L115 HydrophobicContact CG1-CD2 4.38Å; V96-L115 HydrophobicContact CG2-CD2 3.69Å; S111-L115 PolarHBondContact O-N 3.26Å; C112-L115 WeakPolarHBondContact O-CB 3.4Å; C112-L115 PolarHBondContact O-N 3.32Å; L113-L115 VanDerWaalsContact C-N 3.33Å; L115-A117 VanDerWaalsContact C-N 3.3Å; L115-A117 PolarHBondContact O-N 3.46Å; L115-N118 WeakPolarHBondContact O-CB 3.36Å; L115-N118 PolarHBondContact O-N 3.49Å; L115-F121 HydrophobicContact CD1-CD2 4.42Å; L115-F121 HydrophobicContact CD1-CE2 3.66Å; L115-F121 HydrophobicContact CD1-CZ 4.42Å; L115-F121 HydrophobicContact CG-CE2 4.24Å; L115-F121 WeakPolarHBondContact O-CD2 3.31Å
116L72.4Confident71.4Confident14 Ų1435.8 Ų35.87%0.07318%0.184CC..Hα-helixtrans-71.7-22.9176.8-66.5164.4000112.6V93 V96 L97 C112 L113 N118 I125V93-L116 HydrophobicContact CG1-CD2 4.13Å; V93-L116 HydrophobicContact CG2-CD2 4.28Å; V96-L116 HydrophobicContact CG1-CD1 4.28Å; V96-L116 HydrophobicContact CG1-CD2 4.48Å; V96-L116 HydrophobicContact CG1-CG 4.31Å; L97-L116 HydrophobicContact CD2-CD1 3.65Å; L97-L116 HydrophobicContact CG-CD1 4.37Å; L97-L116 HydrophobicContact CG-CD2 4.43Å; C112-L116 WeakPolarHBondContact O-CB 3.17Å; C112-L116 WeakPolarHBondContact O-CD1 3.31Å; C112-L116 WeakPolarHBondContact O-CG 3.08Å; C112-L116 PolarHBondContact O-N 2.86Å; L113-L116 PolarHBondContact O-N 3.47Å; L116-N118 PolarHBondContact O-N 3.26Å; L116-I125 HydrophobicContact CB-CD1 3.88Å; L116-I125 HydrophobicContact CD2-CD1 3.64Å; L116-I125 HydrophobicContact CD2-CG1 3.81Å; L116-I125 HydrophobicContact CG-CD1 4.38Å; L116-I125 WeakPolarHBondContact O-CD1 3.49Å
117A69.8Low71Confident20 Ų2034.8 Ų34.817%0.16519%0.185CC..THydrogen-bonded Turntrans-78.94174.500000114.4L113 L115 A149 K152L113-A117 WeakPolarHBondContact O-CB 3.35Å; L113-A117 PolarHBondContact O-N 2.88Å; L115-A117 VanDerWaalsContact C-N 3.3Å; L115-A117 PolarHBondContact O-N 3.46Å; A117-A149 HydrophobicContact CB-CB 3.81Å; A117-K152 HydrophobicContact CB-CD 4.45Å
118N74.3Confident70.4Confident52 Ų5227.4 Ų27.428%0.27816%0.155SC..SBendtrans-83.7128.9175.7-178.72.2000110.7L115 L116 D120 F121L115-N118 WeakPolarHBondContact O-CB 3.36Å; L115-N118 PolarHBondContact O-N 3.49Å; L116-N118 PolarHBondContact O-N 3.26Å; N118-D120 PolarHBondContact O-N 3.42Å; N118-D120 VanDerWaalsContact O-N 3.14Å; N118-D120 PolarHBondContact OD1-N 3.1Å; N118-F121 HydrophobicContact CB-CD2 4.15Å; N118-F121 PolarHBondContact O-N 3.13Å
119E70.5Confident69.6Low131 Ų13132.6 Ų32.661%0.61218%0.178SC*.G310 helixtrans-51.3-36.2179.3-68.3170.2-156.700112.9F121 S122 F156E119-F121 PolarHBondContact O-N 3.14Å; E119-F121 VanDerWaalsContact O-N 3.15Å; E119-S122 WeakPolarHBondContact O-CB 3.44Å; E119-S122 PolarHBondContact O-N 2.67Å; E119-S122 PolarHBondContact O-OG 3.44Å; E119-F156 HydrophobicContact CB-CD2 4.4Å; E119-F156 HydrophobicContact CB-CE2 4.35Å; E119-F156 HydrophobicContact CG-CD2 4.34Å
120D73.3Confident68.8Low35 Ų3534.1 Ų34.119%0.18719%0.186CC..G310 helixtrans-62.4-23-179.5-73.8-30.6000113.8T81 K82 K89 N118T81-D120 VanDerWaalsContact CB-OD2 3.31Å; T81-D120 WeakPolarHBondContact CB-OD2 3.45Å; T81-D120 PolarHBondContact OG1-OD2 3.11Å; K82-D120 VanDerWaalsContact CE-OD1 3.31Å; K82-D120 WeakPolarHBondContact CE-OD1 3.28Å; K82-D120 WeakPolarHBondContact CG-OD1 3.42Å; K82-D120 WeakPolarHBondContact CG-OD2 3.26Å; K89-D120 VanDerWaalsContact CD-O 3.32Å; K89-D120 WeakPolarHBondContact CD-O 3.34Å; K89-D120 WeakPolarHBondContact CE-O 3.28Å; K89-D120 PolarHBondContact NZ-O 3.25Å; N118-D120 PolarHBondContact O-N 3.42Å; N118-D120 VanDerWaalsContact O-N 3.14Å; N118-D120 PolarHBondContact OD1-N 3.1Å
121F73Confident68.2Low2 Ų233.2 Ų33.21%0.00918%0.181CC..G310 helixtrans-100.5-12.6178.5-65.8-62.6000114.7V74 T81 L84 K89 L92 V93 L115 N118 E119 E123 A124 I125V74-F121 HydrophobicContact CG1-CE2 4.29Å; V74-F121 HydrophobicContact CG2-CZ 4.43Å; T81-F121 HydrophobicContact CG2-CE1 4.23Å; T81-F121 HydrophobicContact CG2-CE2 3.59Å; T81-F121 HydrophobicContact CG2-CZ 3.37Å; L84-F121 HydrophobicContact CD1-CE1 3.89Å; L84-F121 HydrophobicContact CD1-CZ 4.23Å; K89-F121 HydrophobicContact CB-CD1 4.11Å; K89-F121 HydrophobicContact CB-CE1 4.48Å; K89-F121 HydrophobicContact CG-CD1 4.25Å; K89-F121 HydrophobicContact CG-CE1 4.44Å; L92-F121 HydrophobicContact CD2-CE1 3.53Å; L92-F121 HydrophobicContact CD2-CE2 4.44Å; L92-F121 HydrophobicContact CD2-CZ 3.39Å; V93-F121 HydrophobicContact CG2-CB 4.25Å; V93-F121 HydrophobicContact CG2-CD1 4.15Å; V93-F121 HydrophobicContact CG2-CG 4.41Å; L115-F121 HydrophobicContact CD1-CD2 4.42Å; L115-F121 HydrophobicContact CD1-CE2 3.66Å; L115-F121 HydrophobicContact CD1-CZ 4.42Å; L115-F121 HydrophobicContact CG-CE2 4.24Å; L115-F121 WeakPolarHBondContact O-CD2 3.31Å; N118-F121 HydrophobicContact CB-CD2 4.15Å; N118-F121 PolarHBondContact O-N 3.13Å; E119-F121 PolarHBondContact O-N 3.14Å; E119-F121 VanDerWaalsContact O-N 3.15Å; F121-E123 VanDerWaalsContact C-N 3.26Å; F121-E123 PolarHBondContact O-N 2.97Å; F121-E123 VanDerWaalsContact O-N 3.12Å; F121-A124 WeakPolarHBondContact O-CB 3.4Å; F121-A124 PolarHBondContact O-N 3.32Å; F121-I125 HydrophobicContact CB-CD1 3.74Å; F121-I125 HydrophobicContact CB-CG1 4.25Å; F121-I125 VanDerWaalsContact O-CG1 3.29Å; F121-I125 WeakPolarHBondContact O-CG1 3.36Å; F121-I125 PolarHBondContact O-N 2.86Å
122S66.6Low67.3Low4 Ų433.2 Ų33.23%0.02818%0.178CC..Hα-helixtrans-46.5-44.6-175.2580000114.5E119 I125 G126 F156 Q157E119-S122 WeakPolarHBondContact O-CB 3.44Å; E119-S122 PolarHBondContact O-N 2.67Å; E119-S122 PolarHBondContact O-OG 3.44Å; S122-I125 PolarHBondContact O-N 2.99Å; S122-G126 PolarHBondContact O-N 3.12Å; S122-F156 VanDerWaalsContact CB-CD1 3.49Å; S122-F156 WeakPolarHBondContact OG-CD1 3.4Å; S122-F156 WeakPolarHBondContact OG-CE1 3.45Å; S122-F156 WeakPolarHBondContact OG-CZ 3.29Å; S122-Q157 PolarHBondContact O-NE2 2.82Å
123E65.2Low66.3Low81 Ų8138.1 Ų38.138%0.37920%0.204SC..Hα-helixtrans-59.6-47.4176.7-175.2-174.5-15100112.9L86 K89 F121 I125 S127L86-E123 HydrophobicContact CD1-CB 4.38Å; L86-E123 HydrophobicContact CD1-CG 3.77Å; L86-E123 HydrophobicContact CD2-CG 4.49Å; K89-E123 IonicContact NZ-OE2 3.57Å; K89-E123 PolarHBondContact NZ-OE2 3.34Å; K89-E123 VanDerWaalsContact NZ-OE2 3.12Å; F121-E123 VanDerWaalsContact C-N 3.26Å; F121-E123 PolarHBondContact O-N 2.97Å; F121-E123 VanDerWaalsContact O-N 3.12Å; E123-I125 VanDerWaalsContact C-N 3.34Å; E123-S127 PolarHBondContact O-N 3.03Å; E123-S127 PolarHBondContact O-OG 3.3Å
124A67.2Low65.5Low1 Ų138.1 Ų38.11%0.00820%0.204CC..Hα-helixtrans-71-29.9176.500000112.5L86 K89 D90 V93 F121 S127 S128L86-A124 HydrophobicContact CD1-CB 4.02Å; K89-A124 HydrophobicContact CB-CB 3.5Å; D90-A124 WeakPolarHBondContact OD1-CA 3.04Å; D90-A124 WeakPolarHBondContact OD1-CB 3.19Å; V93-A124 HydrophobicContact CG2-CB 4.11Å; F121-A124 WeakPolarHBondContact O-CB 3.4Å; F121-A124 PolarHBondContact O-N 3.32Å; A124-S127 PolarHBondContact O-N 3.23Å; A124-S128 WeakPolarHBondContact O-CB 3.31Å; A124-S128 PolarHBondContact O-N 2.95Å
125I67.9Low64.7Low1 Ų136.2 Ų36.21%0.00519%0.19CC..Hα-helixtrans-73.7-40177.7-63.9163.9000110.9V93 L116 F121 S122 E123 S127 S128 L131 L153V93-I125 HydrophobicContact CG1-CG1 3.87Å; V93-I125 HydrophobicContact CG2-CG1 3.84Å; L116-I125 HydrophobicContact CB-CD1 3.88Å; L116-I125 HydrophobicContact CD2-CD1 3.64Å; L116-I125 HydrophobicContact CD2-CG1 3.81Å; L116-I125 HydrophobicContact CG-CD1 4.38Å; L116-I125 WeakPolarHBondContact O-CD1 3.49Å; F121-I125 HydrophobicContact CB-CD1 3.74Å; F121-I125 HydrophobicContact CB-CG1 4.25Å; F121-I125 VanDerWaalsContact O-CG1 3.29Å; F121-I125 WeakPolarHBondContact O-CG1 3.36Å; F121-I125 PolarHBondContact O-N 2.86Å; S122-I125 PolarHBondContact O-N 2.99Å; E123-I125 VanDerWaalsContact C-N 3.34Å; I125-S127 PolarHBondContact O-N 3.41Å; I125-S128 WeakPolarHBondContact O-CB 3.35Å; I125-S128 PolarHBondContact O-N 3.03Å; I125-L131 HydrophobicContact CG2-CD1 4.1Å; I125-L131 HydrophobicContact CG2-CD2 4.01Å; I125-L153 HydrophobicContact CB-CD1 3.95Å; I125-L153 HydrophobicContact CD1-CD1 4.4Å; I125-L153 HydrophobicContact CG2-CD1 3.77Å; I125-L153 HydrophobicContact CG2-CD2 3.58Å; I125-L153 HydrophobicContact CG2-CG 4.33Å
126G60.3Low63.7Low0 Ų040 Ų400%022%0.222CC..Hα-helixtrans-62.8-23170.900000113.9S122 S172S122-G126 PolarHBondContact O-N 3.12Å; G126-S172 VanDerWaalsContact C-OG 3.23Å; G126-S172 WeakPolarHBondContact CA-OG 3.32Å; G126-S172 PolarHBondContact O-OG 3.31Å; G126-S172 VanDerWaalsContact O-OG 3.06Å
127S60.9Low63.1Low49 Ų4940.8 Ų40.834%0.34323%0.228SC..THydrogen-bonded Turntrans-85.3-10.2172.7-54.20000113.3E123 A124 I125 K129E123-S127 PolarHBondContact O-N 3.03Å; E123-S127 PolarHBondContact O-OG 3.3Å; A124-S127 PolarHBondContact O-N 3.23Å; I125-S127 PolarHBondContact O-N 3.41Å; S127-K129 PolarHBondContact O-N 2.89Å
128S61.1Low62.4Low14 Ų1450.3 Ų50.310%0.09827%0.266CS..  trans-97.499.5-168.8-166.50000114L97 A124 I125 I130 L131L97-S128 WeakPolarHBondContact CD1-OG 3.43Å; A124-S128 WeakPolarHBondContact O-CB 3.31Å; A124-S128 PolarHBondContact O-N 2.95Å; I125-S128 WeakPolarHBondContact O-CB 3.35Å; I125-S128 PolarHBondContact O-N 3.03Å; S128-I130 PolarHBondContact O-N 2.94Å; S128-L131 PolarHBondContact O-N 2.95Å
129K57.3Low62.1Low112 Ų11249.3 Ų49.349%0.48726%0.263SS..THydrogen-bonded Turntrans-51-11.7174-62175.4172.2-96.70115.7S127 D228S127-K129 PolarHBondContact O-N 2.89Å; K129-D228 WeakPolarHBondContact CD-OD2 3.47Å; K129-D228 WeakPolarHBondContact CE-OD2 3.33Å; K129-D228 VanDerWaalsContact CG-OD2 3.23Å; K129-D228 WeakPolarHBondContact CG-OD2 3.4Å; K129-D228 IonicContact NZ-OD1 3.24Å; K129-D228 PolarHBondContact NZ-OD1 2.87Å; K129-D228 IonicContact NZ-OD2 2.66Å; K129-D228 PolarHBondContact NZ-OD2 3.32Å
130I57.7Low61.8Low42 Ų4246.4 Ų46.422%0.21526%0.257CS..THydrogen-bonded Turntrans-81.9-30-172.4-48.5-179.3000112.2L97 S128 I132 N133 T134L97-I130 HydrophobicContact CB-CB 3.98Å; L97-I130 HydrophobicContact CB-CD1 4.35Å; L97-I130 HydrophobicContact CB-CG2 3.72Å; L97-I130 HydrophobicContact CD1-CB 4.05Å; S128-I130 PolarHBondContact O-N 2.94Å; I130-I132 VanDerWaalsContact C-N 3.26Å; I130-I132 PolarHBondContact O-N 2.78Å; I130-I132 VanDerWaalsContact O-N 3.09Å; I130-N133 PolarHBondContact O-N 2.82Å; I130-T134 PolarHBondContact O-OG1 3.21Å
131L60.4Low61.8Low10 Ų1050.5 Ų50.55%0.05228%0.275CS..G310 helixtrans-52.9-40.4-169.1-156.174000113.7L97 I125 S128 N133 T134 L153 F179L97-L131 HydrophobicContact CD1-CD1 4.2Å; L97-L131 HydrophobicContact CD2-CD1 3.86Å; I125-L131 HydrophobicContact CG2-CD1 4.1Å; I125-L131 HydrophobicContact CG2-CD2 4.01Å; S128-L131 PolarHBondContact O-N 2.95Å; L131-N133 PolarHBondContact O-N 3.49Å; L131-T134 PolarHBondContact O-OG1 3.48Å; L131-L153 HydrophobicContact CD2-CD2 3.79Å; L131-F179 HydrophobicContact CD1-CZ 4.48Å; L131-F179 HydrophobicContact CD2-CB 4.21Å; L131-F179 HydrophobicContact CD2-CD1 3.7Å; L131-F179 HydrophobicContact CD2-CD2 4.18Å; L131-F179 HydrophobicContact CD2-CE1 4.03Å; L131-F179 HydrophobicContact CD2-CE2 4.45Å; L131-F179 HydrophobicContact CD2-CG 3.8Å; L131-F179 HydrophobicContact CD2-CZ 4.4Å; L131-F179 HydrophobicContact CG-CD1 4.23Å; L131-F179 HydrophobicContact CG-CD2 3.87Å; L131-F179 HydrophobicContact CG-CE1 4.31Å; L131-F179 HydrophobicContact CG-CE2 3.93Å; L131-F179 HydrophobicContact CG-CG 4.02Å; L131-F179 HydrophobicContact CG-CZ 4.18Å; L131-F179 WeakPolarHBondContact O-CD2 3.14Å
132I54.6Low61.7Low40 Ų4050.4 Ų50.421%0.20528%0.275CS..G310 helixtrans-64.8-19.6-177.5-66.5170.4000113.2I130 Q175 A178 V227 L229I130-I132 VanDerWaalsContact C-N 3.26Å; I130-I132 PolarHBondContact O-N 2.78Å; I130-I132 VanDerWaalsContact O-N 3.09Å; I132-Q175 HydrophobicContact CD1-CB 4.12Å; I132-Q175 HydrophobicContact CD1-CG 4.01Å; I132-A178 HydrophobicContact CD1-CB 4.26Å; I132-V227 HydrophobicContact CD1-CG1 4.39Å; I132-L229 HydrophobicContact CG2-CD1 4.19Å
133N55.9Low61.8Low104 Ų10450.7 Ų50.756%0.55628%0.276SS*.G310 helixtrans-104.57.6-171-70.7-73.3000114.9I130 L131I130-N133 PolarHBondContact O-N 2.82Å; L131-N133 PolarHBondContact O-N 3.49Å
134T57.3Low62.1Low10 Ų1051 Ų516%0.06128%0.277CS..  trans-102.8-41-161.6-13.60000114.8K101 W109 I130 L131 A136K101-T134 HydrophobicContact CB-CG2 3.88Å; K101-T134 HydrophobicContact CG-CG2 4.46Å; W109-T134 HydrophobicContact CH2-CG2 3.62Å; W109-T134 VanDerWaalsContact CH2-O 3.26Å; W109-T134 WeakPolarHBondContact CH2-O 3.16Å; W109-T134 HydrophobicContact CZ2-CG2 4.26Å; W109-T134 HydrophobicContact CZ3-CG2 4.47Å; I130-T134 PolarHBondContact O-OG1 3.21Å; L131-T134 PolarHBondContact O-OG1 3.48Å; T134-A136 PolarHBondContact O-N 2.84Å; T134-A136 VanDerWaalsContact O-N 3.1Å
135V57.9Low62.3Low27 Ų2754.3 Ų54.316%0.16429%0.293CS..  trans-8397-165.7-165.70000111.9W109 L143 F179 L183 L186W109-V135 HydrophobicContact CZ3-CG2 4.49Å; V135-L143 HydrophobicContact CG1-CD1 4.35Å; V135-L143 HydrophobicContact CG1-CG 4.41Å; V135-F179 HydrophobicContact CG2-CD2 4.5Å; V135-F179 HydrophobicContact CG2-CE2 3.6Å; V135-F179 HydrophobicContact CG2-CZ 4.26Å; V135-L183 HydrophobicContact CG1-CD2 4.21Å; V135-L183 HydrophobicContact CG2-CD2 4.27Å; V135-L186 HydrophobicContact CB-CD1 4.06Å; V135-L186 HydrophobicContact CG1-CD1 3.67Å
136A55Low62.4Low90 Ų9054.2 Ų54.274%0.74429%0.292SS*.  trans-124.813.7173.600000113T134T134-A136 PolarHBondContact O-N 2.84Å; T134-A136 VanDerWaalsContact O-N 3.1Å
137T58Low62.8Low31 Ų3154.7 Ų54.719%0.1930%0.296CS..  trans-86134.2-173.546.80000112.2W109 V142W109-T137 HydrophobicContact CD2-CG2 4.18Å; W109-T137 HydrophobicContact CG-CG2 4.47Å; W109-T137 HydrophobicContact CZ2-CG2 4.14Å; T137-V142 WeakPolarHBondContact OG1-CG1 3.25Å
138K55.7Low63.5Low220 Ų22055.2 Ų55.296%0.95730%0.297SS*.  trans-88.12.3-175.8-67.6-170.9175.4-173.30115.5
139S67.6Low64Low32 Ų3255 Ų5522%0.22430%0.296CS..  trans-95.6139.9-172.258.90000112.5E106 L143E106-S139 VanDerWaalsContact CD-OG 3.29Å; E106-S139 WeakPolarHBondContact OE1-CB 3.19Å; E106-S139 PolarHBondContact OE1-OG 3.17Å; E106-S139 WeakPolarHBondContact OE2-CB 3.28Å; S139-L143 PolarHBondContact O-N 3.39Å
140S65.9Low64.9Low70 Ų7049.6 Ų49.649%0.4927%0.273SS..Hα-helixtrans-68.4-34.9-173.4-168.70000112.7L143 E144S140-L143 PolarHBondContact O-N 2.93Å; S140-E144 WeakPolarHBondContact O-CB 3.19Å; S140-E144 PolarHBondContact O-N 3.23Å
141E72.8Confident65.8Low120 Ų12048.9 Ų48.956%0.56127%0.267SS*.Hα-helixtrans-70.7-48.1-176.2-164.1-178.4179.100111.6I110 L143 E144 Q145I110-E141 HydrophobicContact CD1-CB 4.37Å; I110-E141 HydrophobicContact CD1-CG 3.73Å; E141-L143 VanDerWaalsContact C-N 3.27Å; E141-L143 PolarHBondContact O-N 3.41Å; E141-E144 PolarHBondContact O-N 3.18Å; E141-Q145 PolarHBondContact O-N 2.98Å
142V70.2Confident66.5Low1 Ų153.9 Ų53.91%0.00629%0.289CS..Hα-helixtrans-55.3-42170.9168.30000111.9E106 W109 I110 L113 T137 Q145 A146E106-V142 HydrophobicContact CB-CG2 4.29Å; E106-V142 HydrophobicContact CG-CG2 3.86Å; E106-V142 WeakPolarHBondContact OE1-CG2 3.29Å; E106-V142 PolarHBondContact OE1-N 2.88Å; W109-V142 HydrophobicContact CB-CB 4.41Å; W109-V142 HydrophobicContact CB-CG1 3.89Å; W109-V142 HydrophobicContact CB-CG2 3.55Å; W109-V142 HydrophobicContact CD2-CG1 4.16Å; W109-V142 HydrophobicContact CE3-CG1 3.92Å; W109-V142 HydrophobicContact CG-CG1 4.19Å; W109-V142 HydrophobicContact CG-CG2 4.33Å; I110-V142 HydrophobicContact CG1-CG2 4.13Å; L113-V142 HydrophobicContact CD1-CG1 3.99Å; L113-V142 WeakPolarHBondContact CD1-O 3.44Å; T137-V142 WeakPolarHBondContact OG1-CG1 3.25Å; V142-Q145 PolarHBondContact O-N 3.36Å; V142-A146 VanDerWaalsContact O-CB 3.31Å; V142-A146 WeakPolarHBondContact O-CB 3.37Å; V142-A146 PolarHBondContact O-N 3.31Å
143L68.4Low67.6Low10 Ų1052.5 Ų52.55%0.05228%0.281CS..Hα-helixtrans-78.8-28.5-174.4-122.7146.5000113.4V135 S139 S140 E141 A146 A147 L183 L186 V187V135-L143 HydrophobicContact CG1-CD1 4.35Å; V135-L143 HydrophobicContact CG1-CG 4.41Å; S139-L143 PolarHBondContact O-N 3.39Å; S140-L143 PolarHBondContact O-N 2.93Å; E141-L143 VanDerWaalsContact C-N 3.27Å; E141-L143 PolarHBondContact O-N 3.41Å; L143-A146 PolarHBondContact O-N 3.27Å; L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.45Å; L143-A147 PolarHBondContact O-N 3.35Å; L143-L183 HydrophobicContact CD2-CD2 3.65Å; L143-L183 HydrophobicContact CG-CD2 4.41Å; L143-L186 HydrophobicContact CD1-CB 3.79Å; L143-L186 HydrophobicContact CD1-CD1 4.33Å; L143-L186 HydrophobicContact CD2-CB 4.06Å; L143-V187 HydrophobicContact CB-CG2 3.99Å; L143-V187 HydrophobicContact CD1-CG2 4.02Å; L143-V187 HydrophobicContact CD2-CB 4.05Å; L143-V187 HydrophobicContact CD2-CG2 3.85Å; L143-V187 HydrophobicContact CG-CG2 4.15Å
144E71.3Confident68.7Low87 Ų8747.7 Ų47.741%0.40726%0.256SS..Hα-helixtrans-65.6-42.3166.2176.5150.1-112.300112S140 E141 A146 A147 T148 K190S140-E144 WeakPolarHBondContact O-CB 3.19Å; S140-E144 PolarHBondContact O-N 3.23Å; E141-E144 PolarHBondContact O-N 3.18Å; E144-A146 VanDerWaalsContact C-N 3.34Å; E144-A147 PolarHBondContact O-N 3.32Å; E144-T148 WeakPolarHBondContact O-CB 3.49Å; E144-T148 PolarHBondContact O-N 2.97Å; E144-T148 PolarHBondContact O-OG1 2.89Å; E144-K190 HydrophobicContact CB-CD 4.35Å; E144-K190 WeakPolarHBondContact OE1-CD 3.29Å; E144-K190 WeakPolarHBondContact OE1-CE 3.5Å; E144-K190 IonicContact OE1-NZ 2.89Å; E144-K190 PolarHBondContact OE1-NZ 2.79Å; E144-K190 IonicContact OE2-NZ 3.78Å; E144-K190 PolarHBondContact OE2-NZ 3.06Å
145Q71.9Confident69.7Low70 Ų7051.9 Ų51.933%0.32727%0.274SS..Hα-helixtrans-67.6-35.7174.5-148.373.7-23.500111.7I110 L113 E141 V142 T148 A149I110-Q145 HydrophobicContact CG2-CG 4.2Å; L113-Q145 HydrophobicContact CB-CG 4.27Å; L113-Q145 HydrophobicContact CD1-CB 4.3Å; E141-Q145 PolarHBondContact O-N 2.98Å; V142-Q145 PolarHBondContact O-N 3.36Å; Q145-T148 PolarHBondContact O-N 3.22Å; Q145-A149 WeakPolarHBondContact O-CB 3.46Å; Q145-A149 PolarHBondContact O-N 3.31Å
146A70Confident70.6Confident0 Ų053.8 Ų53.80%028%0.281CS..Hα-helixtrans-69-41.5176.200000112L113 V142 L143 E144 A149 F150 L183L113-A146 HydrophobicContact CD1-CB 3.76Å; L113-A146 HydrophobicContact CD2-CB 4.07Å; V142-A146 VanDerWaalsContact O-CB 3.31Å; V142-A146 WeakPolarHBondContact O-CB 3.37Å; V142-A146 PolarHBondContact O-N 3.31Å; L143-A146 PolarHBondContact O-N 3.27Å; E144-A146 VanDerWaalsContact C-N 3.34Å; A146-A149 PolarHBondContact O-N 3.5Å; A146-F150 VanDerWaalsContact O-CB 3.31Å; A146-F150 WeakPolarHBondContact O-CB 3.22Å; A146-F150 PolarHBondContact O-N 3.41Å; A146-L183 HydrophobicContact CB-CD2 3.79Å
147A69.3Low71.7Confident9 Ų949.5 Ų49.57%0.07425%0.245CC..Hα-helixtrans-60.7-46.3171.800000110.7L143 E144 A149 F150 Y151L143-A147 VanDerWaalsContact O-CB 3.31Å; L143-A147 WeakPolarHBondContact O-CB 3.45Å; L143-A147 PolarHBondContact O-N 3.35Å; E144-A147 PolarHBondContact O-N 3.32Å; A147-A149 PolarHBondContact O-N 3.38Å; A147-F150 WeakPolarHBondContact O-CB 3.3Å; A147-F150 PolarHBondContact O-N 2.89Å; A147-Y151 HydrophobicContact CB-CE2 4.04Å; A147-Y151 WeakPolarHBondContact O-CD2 3.47Å; A147-Y151 WeakPolarHBondContact O-CE2 3.45Å; A147-Y151 PolarHBondContact O-N 2.91Å
148T74.7Confident72.7Confident61 Ų6148.1 Ų48.137%0.37424%0.237SC..Hα-helixtrans-62.7-41.2178.4-570000112.5E144 Q145 K152E144-T148 WeakPolarHBondContact O-CB 3.49Å; E144-T148 PolarHBondContact O-N 2.97Å; E144-T148 PolarHBondContact O-OG1 2.89Å; Q145-T148 PolarHBondContact O-N 3.22Å; T148-K152 PolarHBondContact O-N 2.88Å
149A72.8Confident73.9Confident8 Ų840.4 Ų40.47%0.06621%0.208CC..Hα-helixtrans-63.5-44.5172.700000111.8A117 Q145 A146 A147 Y151 K152 L153A117-A149 HydrophobicContact CB-CB 3.81Å; Q145-A149 WeakPolarHBondContact O-CB 3.46Å; Q145-A149 PolarHBondContact O-N 3.31Å; A146-A149 PolarHBondContact O-N 3.5Å; A147-A149 PolarHBondContact O-N 3.38Å; A149-Y151 PolarHBondContact O-N 2.83Å; A149-K152 PolarHBondContact O-N 3.48Å; A149-L153 VanDerWaalsContact O-CB 3.3Å; A149-L153 WeakPolarHBondContact O-CB 3.47Å; A149-L153 PolarHBondContact O-N 2.87Å
150F76.7Confident74.4Confident0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-58.1-45.9176.1160.6-95.2000112.4A146 A147 K152 L153 W154 I176 F179 G180 L183 Y191 L198A146-F150 VanDerWaalsContact O-CB 3.31Å; A146-F150 WeakPolarHBondContact O-CB 3.22Å; A146-F150 PolarHBondContact O-N 3.41Å; A147-F150 WeakPolarHBondContact O-CB 3.3Å; A147-F150 PolarHBondContact O-N 2.89Å; F150-K152 PolarHBondContact O-N 2.72Å; F150-L153 PolarHBondContact O-N 3.13Å; F150-W154 HydrophobicContact CE2-CB 4.17Å; F150-W154 HydrophobicContact CZ-CB 4.04Å; F150-W154 HydrophobicContact CZ-CD2 4.44Å; F150-W154 HydrophobicContact CZ-CG 4.26Å; F150-W154 WeakPolarHBondContact O-CB 3.48Å; F150-W154 PolarHBondContact O-N 3.24Å; F150-I176 HydrophobicContact CD2-CG2 3.84Å; F150-I176 HydrophobicContact CE2-CG2 3.67Å; F150-I176 VanDerWaalsContact CE2-O 3.31Å; F150-I176 WeakPolarHBondContact CE2-O 3.4Å; F150-F179 HydrophobicContact CB-CD1 4.25Å; F150-F179 HydrophobicContact CB-CE1 3.95Å; F150-F179 AromaticContact CD2-CD1 3.98Å; F150-F179 HydrophobicContact CD2-CD1 3.98Å; F150-G180 VanDerWaalsContact CE2-CA 3.48Å; F150-L183 HydrophobicContact CB-CD1 3.54Å; F150-L183 HydrophobicContact CG-CD1 3.95Å; F150-Y191 AromaticContact CD1-CE2 3.64Å; F150-Y191 HydrophobicContact CD1-CE2 3.64Å; F150-Y191 AromaticContact CE1-CE2 3.64Å; F150-Y191 HydrophobicContact CE1-CE2 3.64Å; F150-Y191 AromaticContact CE1-CZ 3.61Å; F150-Y191 WeakPolarHBondContact CE1-OH 3.38Å; F150-Y191 HydrophobicContact CG-CE2 4.42Å; F150-Y191 HydrophobicContact CZ-CE2 4.41Å; F150-Y191 WeakPolarHBondContact CZ-OH 3.31Å; F150-L198 HydrophobicContact CE1-CD1 3.7Å; F150-L198 HydrophobicContact CE1-CD2 3.67Å; F150-L198 HydrophobicContact CE1-CG 4.33Å; F150-L198 HydrophobicContact CZ-CD1 3.72Å; F150-L198 HydrophobicContact CZ-CD2 3.72Å; F150-L198 HydrophobicContact CZ-CG 4.37Å
151Y75.1Confident75.1Confident27 Ų2737.6 Ų37.611%0.10619%0.185CC..Hα-helixtrans-62.2-45.6-178.6-70-63.6000111.9A147 A149 L153 W154 E155 Y191 K194 L198A147-Y151 HydrophobicContact CB-CE2 4.04Å; A147-Y151 WeakPolarHBondContact O-CD2 3.47Å; A147-Y151 WeakPolarHBondContact O-CE2 3.45Å; A147-Y151 PolarHBondContact O-N 2.91Å; A149-Y151 PolarHBondContact O-N 2.83Å; Y151-L153 VanDerWaalsContact C-N 3.33Å; Y151-L153 PolarHBondContact O-N 2.88Å; Y151-W154 PolarHBondContact O-N 3.27Å; Y151-E155 WeakPolarHBondContact O-CG 3.38Å; Y151-E155 PolarHBondContact O-N 2.94Å; Y151-Y191 WeakPolarHBondContact OH-CD2 3.4Å; Y151-Y191 WeakPolarHBondContact OH-CE2 3.47Å; Y151-K194 HydrophobicContact CD1-CB 4.38Å; Y151-K194 HydrophobicContact CD1-CD 4.36Å; Y151-K194 HydrophobicContact CD2-CD 3.85Å; Y151-K194 HydrophobicContact CE1-CB 3.47Å; Y151-K194 VanDerWaalsContact CE1-CB 3.47Å; Y151-K194 HydrophobicContact CE1-CD 3.92Å; Y151-K194 HydrophobicContact CE1-CG 4.31Å; Y151-K194 HydrophobicContact CE2-CB 4.31Å; Y151-K194 HydrophobicContact CE2-CD 3.38Å; Y151-K194 HydrophobicContact CE2-CG 4.48Å; Y151-K194 HydrophobicContact CG-CD 4.36Å; Y151-K194 VanDerWaalsContact CZ-CB 3.48Å; Y151-K194 VanDerWaalsContact CZ-CD 3.46Å; Y151-K194 WeakPolarHBondContact OH-CB 3.45Å; Y151-L198 HydrophobicContact CD1-CD2 4.02Å; Y151-L198 HydrophobicContact CE1-CD1 4.32Å; Y151-L198 HydrophobicContact CE1-CD2 3.92Å; Y151-L198 HydrophobicContact CE1-CG 4.3Å
152K76.6Confident75.5Confident115 Ų11534.4 Ų34.450%0.517%0.171SC..Hα-helixtrans-59.7-44.2174.9-71.4-169171.3-161.30112.3A117 T148 A149 F150 E155 F156A117-K152 HydrophobicContact CB-CD 4.45Å; T148-K152 PolarHBondContact O-N 2.88Å; A149-K152 PolarHBondContact O-N 3.48Å; F150-K152 PolarHBondContact O-N 2.72Å; K152-E155 PolarHBondContact O-N 2.84Å; K152-F156 WeakPolarHBondContact O-CB 3.22Å; K152-F156 PolarHBondContact O-N 3.01Å
153L76.4Confident75.9Confident10 Ų1044 Ų445%0.05221%0.207CC..Hα-helixtrans-65.2-40.6179.9-17368.8000111.7I125 L131 A149 F150 Y151 Q157 I176I125-L153 HydrophobicContact CB-CD1 3.95Å; I125-L153 HydrophobicContact CD1-CD1 4.4Å; I125-L153 HydrophobicContact CG2-CD1 3.77Å; I125-L153 HydrophobicContact CG2-CD2 3.58Å; I125-L153 HydrophobicContact CG2-CG 4.33Å; L131-L153 HydrophobicContact CD2-CD2 3.79Å; A149-L153 VanDerWaalsContact O-CB 3.3Å; A149-L153 WeakPolarHBondContact O-CB 3.47Å; A149-L153 PolarHBondContact O-N 2.87Å; F150-L153 PolarHBondContact O-N 3.13Å; Y151-L153 VanDerWaalsContact C-N 3.33Å; Y151-L153 PolarHBondContact O-N 2.88Å; L153-Q157 HydrophobicContact CD1-CG 4.49Å; L153-Q157 VanDerWaalsContact O-CB 3.23Å; L153-Q157 WeakPolarHBondContact O-CB 3.3Å; L153-Q157 WeakPolarHBondContact O-CG 3.4Å; L153-Q157 PolarHBondContact O-N 2.97Å; L153-I176 HydrophobicContact CD1-CD1 4.33Å; L153-I176 HydrophobicContact CD2-CD1 4.04Å; L153-I176 HydrophobicContact CD2-CG1 3.83Å; L153-I176 HydrophobicContact CD2-CG2 4.28Å; L153-I176 HydrophobicContact CG-CD1 3.73Å; L153-I176 HydrophobicContact CG-CG1 4.06Å; L153-I176 HydrophobicContact CG-CG2 4.34Å
154W78.2Confident76.3Confident3 Ų349.7 Ų49.71%0.01123%0.234CC..Hα-helixtrans-63.7-50.3174175.2-99.5000112.1F150 Y151 F156 Q157 V158 V173 I176 L177 L198 L202F150-W154 HydrophobicContact CE2-CB 4.17Å; F150-W154 HydrophobicContact CZ-CB 4.04Å; F150-W154 HydrophobicContact CZ-CD2 4.44Å; F150-W154 HydrophobicContact CZ-CG 4.26Å; F150-W154 WeakPolarHBondContact O-CB 3.48Å; F150-W154 PolarHBondContact O-N 3.24Å; Y151-W154 PolarHBondContact O-N 3.27Å; W154-F156 VanDerWaalsContact C-N 3.34Å; W154-F156 PolarHBondContact O-N 2.76Å; W154-Q157 PolarHBondContact O-N 3.36Å; W154-V158 HydrophobicContact CD2-CG2 3.98Å; W154-V158 HydrophobicContact CE3-CG2 4.33Å; W154-V158 HydrophobicContact CH2-CG2 4.28Å; W154-V158 HydrophobicContact CZ2-CG2 3.89Å; W154-V158 HydrophobicContact CZ3-CG2 4.46Å; W154-V158 WeakPolarHBondContact O-CB 3.48Å; W154-V158 WeakPolarHBondContact O-CG2 3.43Å; W154-V158 PolarHBondContact O-N 3.49Å; W154-V173 HydrophobicContact CH2-CG1 4.14Å; W154-V173 HydrophobicContact CZ3-CG1 3.87Å; W154-I176 HydrophobicContact CB-CG2 4.19Å; W154-I176 HydrophobicContact CE3-CG2 4.03Å; W154-L177 HydrophobicContact CH2-CB 4.36Å; W154-L177 HydrophobicContact CH2-CD1 4.06Å; W154-L177 HydrophobicContact CZ3-CB 3.83Å; W154-L177 HydrophobicContact CZ3-CD1 4.19Å; W154-L198 HydrophobicContact CB-CD2 4.43Å; W154-L198 HydrophobicContact CD2-CD2 4.04Å; W154-L198 HydrophobicContact CG-CD2 3.69Å; W154-L198 HydrophobicContact CZ2-CB 4.32Å; W154-L198 WeakPolarHBondContact CZ2-O 3.46Å; W154-L202 HydrophobicContact CH2-CD1 4.02Å; W154-L202 HydrophobicContact CZ2-CB 4.33Å
155E79.6Confident76.5Confident98 Ų9847.1 Ų47.146%0.45823%0.225SC..Hα-helixtrans-58.2-47.3177.5-71.3-155.110800111.4Y151 K152 Q157 V159 K201Y151-E155 WeakPolarHBondContact O-CG 3.38Å; Y151-E155 PolarHBondContact O-N 2.94Å; K152-E155 PolarHBondContact O-N 2.84Å; E155-Q157 PolarHBondContact O-N 3.02Å; E155-V159 WeakPolarHBondContact O-CB 3.45Å; E155-V159 WeakPolarHBondContact O-CG2 3.27Å; E155-V159 PolarHBondContact O-N 2.87Å; E155-K201 IonicContact OE1-NZ 2.85Å; E155-K201 PolarHBondContact OE1-NZ 2.93Å
156F77.2Confident76.7Confident67 Ų6746.5 Ų46.529%0.29423%0.226SC..Hα-helixtrans-60.7-46.9178-170.6-76.2000111.7E119 S122 K152 W154 V159 L160E119-F156 HydrophobicContact CB-CD2 4.4Å; E119-F156 HydrophobicContact CB-CE2 4.35Å; E119-F156 HydrophobicContact CG-CD2 4.34Å; S122-F156 VanDerWaalsContact CB-CD1 3.49Å; S122-F156 WeakPolarHBondContact OG-CD1 3.4Å; S122-F156 WeakPolarHBondContact OG-CE1 3.45Å; S122-F156 WeakPolarHBondContact OG-CZ 3.29Å; K152-F156 WeakPolarHBondContact O-CB 3.22Å; K152-F156 PolarHBondContact O-N 3.01Å; W154-F156 VanDerWaalsContact C-N 3.34Å; W154-F156 PolarHBondContact O-N 2.76Å; F156-V159 CarbonylContact O-C 3.54Å; F156-V159 PolarHBondContact O-N 3.48Å; F156-L160 HydrophobicContact CD1-CB 4.4Å; F156-L160 HydrophobicContact CE1-CB 4.28Å; F156-L160 HydrophobicContact CE1-CD1 4.43Å; F156-L160 HydrophobicContact CE1-CD2 4.38Å; F156-L160 WeakPolarHBondContact O-CB 3.3Å; F156-L160 PolarHBondContact O-N 3.39Å
157Q77.5Confident76.8Confident1 Ų150.6 Ų50.61%0.00525%0.247CC..Hα-helixtrans-77.9-30.4-171.5-75.9-85.55.500113.1S122 L153 W154 E155 L160 F161 V173 I176S122-Q157 PolarHBondContact O-NE2 2.82Å; L153-Q157 HydrophobicContact CD1-CG 4.49Å; L153-Q157 VanDerWaalsContact O-CB 3.23Å; L153-Q157 WeakPolarHBondContact O-CB 3.3Å; L153-Q157 WeakPolarHBondContact O-CG 3.4Å; L153-Q157 PolarHBondContact O-N 2.97Å; W154-Q157 PolarHBondContact O-N 3.36Å; E155-Q157 PolarHBondContact O-N 3.02Å; Q157-L160 PolarHBondContact O-N 2.89Å; Q157-F161 PolarHBondContact O-N 3.13Å; Q157-V173 HydrophobicContact CB-CG2 4.26Å; Q157-V173 WeakPolarHBondContact O-CG2 3.48Å; Q157-I176 HydrophobicContact CB-CD1 3.58Å; Q157-I176 HydrophobicContact CG-CD1 3.41Å; Q157-I176 VanDerWaalsContact CG-CD1 3.41Å
158V78.9Confident76.9Confident1 Ų153.5 Ų53.51%0.00627%0.267CS..Hα-helixtrans-64.8-46164.3172.20000110.5W154 L160 F161 L162 V173 K201 V205W154-V158 HydrophobicContact CD2-CG2 3.98Å; W154-V158 HydrophobicContact CE3-CG2 4.33Å; W154-V158 HydrophobicContact CH2-CG2 4.28Å; W154-V158 HydrophobicContact CZ2-CG2 3.89Å; W154-V158 HydrophobicContact CZ3-CG2 4.46Å; W154-V158 WeakPolarHBondContact O-CB 3.48Å; W154-V158 WeakPolarHBondContact O-CG2 3.43Å; W154-V158 PolarHBondContact O-N 3.49Å; V158-L160 VanDerWaalsContact C-N 3.28Å; V158-L160 PolarHBondContact O-N 2.83Å; V158-F161 PolarHBondContact O-N 3.17Å; V158-L162 HydrophobicContact CG1-CD1 3.71Å; V158-L162 HydrophobicContact CG1-CG 4.07Å; V158-L162 WeakPolarHBondContact O-CB 3.4Å; V158-L162 VanDerWaalsContact O-CG 3.27Å; V158-L162 WeakPolarHBondContact O-CG 3.28Å; V158-L162 PolarHBondContact O-N 3.07Å; V158-V173 HydrophobicContact CG2-CG1 4.45Å; V158-V173 HydrophobicContact CG2-CG2 4.44Å; V158-K201 HydrophobicContact CG1-CB 4.23Å; V158-V205 HydrophobicContact CB-CG2 4.37Å; V158-V205 HydrophobicContact CG1-CG2 3.73Å; V158-V205 HydrophobicContact CG2-CG2 4.06Å
159V81Confident76.8Confident58 Ų5850.8 Ų50.835%0.35225%0.251SS..Hα-helixtrans-62.4-34.7176.7167.90000112.1E155 F156 R163E155-V159 WeakPolarHBondContact O-CB 3.45Å; E155-V159 WeakPolarHBondContact O-CG2 3.27Å; E155-V159 PolarHBondContact O-N 2.87Å; F156-V159 CarbonylContact O-C 3.54Å; F156-V159 PolarHBondContact O-N 3.48Å; V159-R163 WeakPolarHBondContact O-CB 3.49Å; V159-R163 VanDerWaalsContact O-CG 3.28Å; V159-R163 WeakPolarHBondContact O-CG 3.21Å; V159-R163 PolarHBondContact O-N 3.25Å
160L78.5Confident77Confident44 Ų4450.6 Ų50.623%0.2325%0.249CC..Hα-helixtrans-63.7-50.3173.9-173.467.4000110.6F156 Q157 V158 L162 R163 Q164F156-L160 HydrophobicContact CD1-CB 4.4Å; F156-L160 HydrophobicContact CE1-CB 4.28Å; F156-L160 HydrophobicContact CE1-CD1 4.43Å; F156-L160 HydrophobicContact CE1-CD2 4.38Å; F156-L160 WeakPolarHBondContact O-CB 3.3Å; F156-L160 PolarHBondContact O-N 3.39Å; Q157-L160 PolarHBondContact O-N 2.89Å; V158-L160 VanDerWaalsContact C-N 3.28Å; V158-L160 PolarHBondContact O-N 2.83Å; L160-L162 PolarHBondContact O-N 2.99Å; L160-R163 PolarHBondContact O-N 3.45Å; L160-Q164 PolarHBondContact O-N 3.43Å
161F80.2Confident76.9Confident0 Ų052.4 Ų52.40%026%0.257CS..Hα-helixtrans-62.4-39.5176.4-177.7-92.1000112.7Q157 V158 R163 Q164 P165 A169 L170 V173 V205 K208 L209Q157-F161 PolarHBondContact O-N 3.13Å; V158-F161 PolarHBondContact O-N 3.17Å; F161-R163 VanDerWaalsContact C-N 3.33Å; F161-R163 PolarHBondContact O-N 2.98Å; F161-Q164 CarbonylContact O-C 3.57Å; F161-Q164 VanDerWaalsContact O-C 3.28Å; F161-P165 HydrophobicContact CE1-CB 4.34Å; F161-P165 HydrophobicContact CE2-CB 4Å; F161-P165 HydrophobicContact CZ-CB 3.9Å; F161-P165 VanDerWaalsContact O-CA 3.25Å; F161-P165 WeakPolarHBondContact O-CA 3.32Å; F161-P165 WeakPolarHBondContact O-CD 3.28Å; F161-A169 HydrophobicContact CB-CB 4.08Å; F161-A169 HydrophobicContact CD2-CB 3.93Å; F161-L170 HydrophobicContact CD2-CB 4.2Å; F161-L170 HydrophobicContact CE2-CB 3.91Å; F161-L170 HydrophobicContact CE2-CD1 4.13Å; F161-L170 HydrophobicContact CZ-CD1 4.4Å; F161-V173 HydrophobicContact CB-CG2 4.11Å; F161-V205 HydrophobicContact CD1-CB 4.28Å; F161-V205 HydrophobicContact CD1-CG1 3.84Å; F161-V205 HydrophobicContact CD1-CG2 4.12Å; F161-V205 HydrophobicContact CE1-CB 4.41Å; F161-V205 HydrophobicContact CE1-CG1 3.8Å; F161-K208 HydrophobicContact CE1-CB 4.19Å; F161-K208 HydrophobicContact CE1-CG 4.46Å; F161-L209 HydrophobicContact CE1-CB 4.25Å; F161-L209 HydrophobicContact CE2-CD1 4.44Å; F161-L209 HydrophobicContact CZ-CB 3.9Å; F161-L209 HydrophobicContact CZ-CD1 3.89Å; F161-L209 HydrophobicContact CZ-CG 4.48Å
162L80.6Confident76.9Confident53 Ų5351.2 Ų51.228%0.27725%0.253SS..Hα-helixtrans-67.2-32.3178.3-70.5175.5000112.8V158 L160 D204 K208V158-L162 HydrophobicContact CG1-CD1 3.71Å; V158-L162 HydrophobicContact CG1-CG 4.07Å; V158-L162 WeakPolarHBondContact O-CB 3.4Å; V158-L162 VanDerWaalsContact O-CG 3.27Å; V158-L162 WeakPolarHBondContact O-CG 3.28Å; V158-L162 PolarHBondContact O-N 3.07Å; L160-L162 PolarHBondContact O-N 2.99Å; L162-D204 HydrophobicContact CD1-CB 4.18Å; L162-D204 HydrophobicContact CD2-CB 3.99Å; L162-D204 WeakPolarHBondContact CD2-O 3.49Å; L162-K208 HydrophobicContact CD2-CB 3.7Å; L162-K208 HydrophobicContact CD2-CG 4.09Å; L162-K208 WeakPolarHBondContact O-CE 3.44Å
163R79.6Confident76.9Confident201 Ų20145.8 Ų45.876%0.75823%0.229SC*.Hα-helixtrans-79.6-42.4174.3-74.5174.3173.6178.2-0.7112.9V159 L160 F161V159-R163 WeakPolarHBondContact O-CB 3.49Å; V159-R163 VanDerWaalsContact O-CG 3.28Å; V159-R163 WeakPolarHBondContact O-CG 3.21Å; V159-R163 PolarHBondContact O-N 3.25Å; L160-R163 PolarHBondContact O-N 3.45Å; F161-R163 VanDerWaalsContact C-N 3.33Å; F161-R163 PolarHBondContact O-N 2.98Å
164Q76.7Confident76.9Confident130 Ų13045.3 Ų45.361%0.60723%0.227SC*.SBendtrans-136.682.6-176-71-175.1-11.800109L160 F161 T166L160-Q164 PolarHBondContact O-N 3.43Å; F161-Q164 CarbonylContact O-C 3.57Å; F161-Q164 VanDerWaalsContact O-C 3.28Å; Q164-T166 PolarHBondContact O-N 3.1Å; Q164-T166 VanDerWaalsContact O-N 3.11Å
165P75.1Confident76.8Confident34 Ų3445.4 Ų45.422%0.22123%0.227CC..  trans-63.8119.5175.327.7-33.9000107.4F161 L214F161-P165 HydrophobicContact CE1-CB 4.34Å; F161-P165 HydrophobicContact CE2-CB 4Å; F161-P165 HydrophobicContact CZ-CB 3.9Å; F161-P165 VanDerWaalsContact O-CA 3.25Å; F161-P165 WeakPolarHBondContact O-CA 3.32Å; F161-P165 WeakPolarHBondContact O-CD 3.28Å; P165-L214 VanDerWaalsContact C-CD1 3.48Å; P165-L214 HydrophobicContact CB-CD1 3.81Å
166T76.1Confident76.7Confident57 Ų5740.8 Ų40.835%0.3521%0.206SC..  trans-148.8156.2178.759.20000109.2Q164 S168 A169 L170Q164-T166 PolarHBondContact O-N 3.1Å; Q164-T166 VanDerWaalsContact O-N 3.11Å; T166-S168 PolarHBondContact O-N 3.34Å; T166-A169 PolarHBondContact O-N 3.02Å; T166-A169 VanDerWaalsContact OG1-CB 3.29Å; T166-A169 WeakPolarHBondContact OG1-CB 3.32Å; T166-A169 PolarHBondContact OG1-N 3.09Å; T166-A169 VanDerWaalsContact OG1-N 3.13Å; T166-L170 PolarHBondContact O-N 3.47Å
167L71.4Confident76.7Confident85 Ų8537.7 Ų37.745%0.44519%0.192SC..Hα-helixtrans-58-36.3175.2-163.288.7000111.8L170 H171 F221L167-L170 PolarHBondContact O-N 2.68Å; L167-H171 VanDerWaalsContact O-CB 3.31Å; L167-H171 WeakPolarHBondContact O-CB 3.21Å; L167-H171 PolarHBondContact O-N 2.84Å; L167-F221 HydrophobicContact CD1-CD1 3.95Å; L167-F221 HydrophobicContact CD1-CE1 3.55Å; L167-F221 HydrophobicContact CD1-CE2 4.32Å; L167-F221 HydrophobicContact CD1-CZ 3.76Å
168S71.1Confident76.5Confident71 Ų7137.7 Ų37.750%0.49719%0.192SC..Hα-helixtrans-67.4-42.1178.2-1640000112.6T166 S172T166-S168 PolarHBondContact O-N 3.34Å; S168-S172 WeakPolarHBondContact O-CB 3.34Å; S168-S172 PolarHBondContact O-N 3.07Å; S168-S172 PolarHBondContact O-OG 3.47Å
169A73.7Confident76.4Confident4 Ų438 Ų383%0.03319%0.194CC..Hα-helixtrans-68.5-36.3174.400000111.6F161 T166 S172 V173F161-A169 HydrophobicContact CB-CB 4.08Å; F161-A169 HydrophobicContact CD2-CB 3.93Å; T166-A169 PolarHBondContact O-N 3.02Å; T166-A169 VanDerWaalsContact OG1-CB 3.29Å; T166-A169 WeakPolarHBondContact OG1-CB 3.32Å; T166-A169 PolarHBondContact OG1-N 3.09Å; T166-A169 VanDerWaalsContact OG1-N 3.13Å; A169-S172 WeakPolarHBondContact O-CB 3.47Å; A169-S172 PolarHBondContact O-N 3.13Å; A169-V173 WeakPolarHBondContact O-CG2 3.28Å; A169-V173 PolarHBondContact O-N 2.97Å
170L76.5Confident76.1Confident4 Ų435.3 Ų35.32%0.02118%0.177CC..Hα-helixtrans-63.9-48.6174.3-173.264.7000111.7F161 T166 L167 S172 V173 V174 V205 L209 V226 M259 F260F161-L170 HydrophobicContact CD2-CB 4.2Å; F161-L170 HydrophobicContact CE2-CB 3.91Å; F161-L170 HydrophobicContact CE2-CD1 4.13Å; F161-L170 HydrophobicContact CZ-CD1 4.4Å; T166-L170 PolarHBondContact O-N 3.47Å; L167-L170 PolarHBondContact O-N 2.68Å; L170-S172 VanDerWaalsContact C-N 3.28Å; L170-S172 PolarHBondContact O-N 2.82Å; L170-V173 PolarHBondContact O-N 2.78Å; L170-V174 WeakPolarHBondContact O-CG2 3.47Å; L170-V174 PolarHBondContact O-N 3.25Å; L170-V205 HydrophobicContact CD1-CG1 4.44Å; L170-L209 HydrophobicContact CD1-CD2 4.41Å; L170-L209 HydrophobicContact CD2-CD1 4.06Å; L170-L209 HydrophobicContact CD2-CD2 4.32Å; L170-V226 HydrophobicContact CD2-CG1 4.5Å; L170-V226 HydrophobicContact CG-CG1 4.26Å; L170-M259 HydrophobicContact CD1-SD 4.37Å; L170-F260 HydrophobicContact CD1-CZ 4.2Å; L170-F260 HydrophobicContact CD2-CE1 3.93Å; L170-F260 HydrophobicContact CD2-CZ 3.92Å; L170-F260 HydrophobicContact CG-CE1 4.48Å; L170-F260 HydrophobicContact CG-CZ 4.02Å
171H74.9Confident75.9Confident37 Ų3733.2 Ų33.217%0.17117%0.166CC..Hα-helixtrans-53.1-45.8172.2166.1-80.5000111.2L167 V174 Q175 V226L167-H171 VanDerWaalsContact O-CB 3.31Å; L167-H171 WeakPolarHBondContact O-CB 3.21Å; L167-H171 PolarHBondContact O-N 2.84Å; H171-V174 PolarHBondContact O-N 3.04Å; H171-Q175 VanDerWaalsContact CE1-CD 3.5Å; H171-Q175 PolarHBondContact CE1-NE2 2.99Å; H171-Q175 PolarHBondContact NE2-NE2 3.25Å; H171-Q175 WeakPolarHBondContact O-CB 3.34Å; H171-Q175 WeakPolarHBondContact O-CG 3.36Å; H171-Q175 PolarHBondContact O-N 3.47Å; H171-V226 HydrophobicContact CB-CG1 4.21Å; H171-V226 PolarHBondContact CD2-O 3.49Å
172S74.4Confident75.6Confident3 Ų334.5 Ų34.52%0.02118%0.177CC..Hα-helixtrans-58.9-53175.4-57.50000111.9G126 S168 A169 L170 V174 Q175 I176G126-S172 VanDerWaalsContact C-OG 3.23Å; G126-S172 WeakPolarHBondContact CA-OG 3.32Å; G126-S172 PolarHBondContact O-OG 3.31Å; G126-S172 VanDerWaalsContact O-OG 3.06Å; S168-S172 WeakPolarHBondContact O-CB 3.34Å; S168-S172 PolarHBondContact O-N 3.07Å; S168-S172 PolarHBondContact O-OG 3.47Å; A169-S172 WeakPolarHBondContact O-CB 3.47Å; A169-S172 PolarHBondContact O-N 3.13Å; L170-S172 VanDerWaalsContact C-N 3.28Å; L170-S172 PolarHBondContact O-N 2.82Å; S172-V174 VanDerWaalsContact C-N 3.33Å; S172-V174 PolarHBondContact O-N 3.36Å; S172-Q175 PolarHBondContact O-N 3.21Å; S172-I176 WeakPolarHBondContact O-CB 3.16Å; S172-I176 VanDerWaalsContact O-CD1 3.25Å; S172-I176 WeakPolarHBondContact O-CD1 3.23Å; S172-I176 WeakPolarHBondContact O-CG1 3.46Å; S172-I176 PolarHBondContact O-N 2.88Å
173V77.9Confident75.2Confident0 Ų032.1 Ų32.10%016%0.164CC..Hα-helixtrans-56.4-44.3179.3168.20000111.5W154 Q157 V158 F161 A169 L170 I176 L177W154-V173 HydrophobicContact CH2-CG1 4.14Å; W154-V173 HydrophobicContact CZ3-CG1 3.87Å; Q157-V173 HydrophobicContact CB-CG2 4.26Å; Q157-V173 WeakPolarHBondContact O-CG2 3.48Å; V158-V173 HydrophobicContact CG2-CG1 4.45Å; V158-V173 HydrophobicContact CG2-CG2 4.44Å; F161-V173 HydrophobicContact CB-CG2 4.11Å; A169-V173 WeakPolarHBondContact O-CG2 3.28Å; A169-V173 PolarHBondContact O-N 2.97Å; L170-V173 PolarHBondContact O-N 2.78Å; V173-I176 PolarHBondContact O-N 2.64Å; V173-L177 WeakPolarHBondContact O-CB 3.28Å; V173-L177 PolarHBondContact O-N 3.39Å
174V75.9Confident74.9Confident1 Ų122.6 Ų22.61%0.00613%0.129CC..Hα-helixtrans-74.9-35.4-178.9-172.50000112.4L170 H171 S172 I176 L177 A178 L223 V226 V227 M234 F260L170-V174 WeakPolarHBondContact O-CG2 3.47Å; L170-V174 PolarHBondContact O-N 3.25Å; H171-V174 PolarHBondContact O-N 3.04Å; S172-V174 VanDerWaalsContact C-N 3.33Å; S172-V174 PolarHBondContact O-N 3.36Å; V174-I176 VanDerWaalsContact C-N 3.28Å; V174-I176 PolarHBondContact O-N 2.88Å; V174-L177 PolarHBondContact O-N 3.45Å; V174-A178 WeakPolarHBondContact O-CB 3.43Å; V174-A178 PolarHBondContact O-N 2.84Å; V174-L223 HydrophobicContact CG1-CD1 4.09Å; V174-V226 HydrophobicContact CG2-CG1 4.49Å; V174-V227 HydrophobicContact CB-CG2 3.99Å; V174-V227 HydrophobicContact CG1-CG2 3.43Å; V174-V227 VanDerWaalsContact CG1-CG2 3.43Å; V174-M234 HydrophobicContact CG1-CE 4.19Å; V174-F260 HydrophobicContact CG2-CE2 3.65Å; V174-F260 HydrophobicContact CG2-CZ 3.71Å
175Q75.3Confident74.7Confident5 Ų521.8 Ų21.82%0.02312%0.123CC..Hα-helixtrans-60.5-39.9170.5-77.5-159.65.500111.7I132 H171 S172 A178 F179 V227I132-Q175 HydrophobicContact CD1-CB 4.12Å; I132-Q175 HydrophobicContact CD1-CG 4.01Å; H171-Q175 VanDerWaalsContact CE1-CD 3.5Å; H171-Q175 PolarHBondContact CE1-NE2 2.99Å; H171-Q175 PolarHBondContact NE2-NE2 3.25Å; H171-Q175 WeakPolarHBondContact O-CB 3.34Å; H171-Q175 WeakPolarHBondContact O-CG 3.36Å; H171-Q175 PolarHBondContact O-N 3.47Å; S172-Q175 PolarHBondContact O-N 3.21Å; Q175-A178 PolarHBondContact O-N 2.76Å; Q175-F179 PolarHBondContact O-N 3.35Å; Q175-V227 HydrophobicContact CG-CG1 4.09Å
176I77.7Confident74.4Confident1 Ų123.8 Ų23.81%0.00513%0.131CC..Hα-helixtrans-72.1-39.9178.9-64.9158.5000110.4F150 L153 W154 Q157 S172 V173 V174 A178 F179 G180F150-I176 HydrophobicContact CD2-CG2 3.84Å; F150-I176 HydrophobicContact CE2-CG2 3.67Å; F150-I176 VanDerWaalsContact CE2-O 3.31Å; F150-I176 WeakPolarHBondContact CE2-O 3.4Å; L153-I176 HydrophobicContact CD1-CD1 4.33Å; L153-I176 HydrophobicContact CD2-CD1 4.04Å; L153-I176 HydrophobicContact CD2-CG1 3.83Å; L153-I176 HydrophobicContact CD2-CG2 4.28Å; L153-I176 HydrophobicContact CG-CD1 3.73Å; L153-I176 HydrophobicContact CG-CG1 4.06Å; L153-I176 HydrophobicContact CG-CG2 4.34Å; W154-I176 HydrophobicContact CB-CG2 4.19Å; W154-I176 HydrophobicContact CE3-CG2 4.03Å; Q157-I176 HydrophobicContact CB-CD1 3.58Å; Q157-I176 HydrophobicContact CG-CD1 3.41Å; Q157-I176 VanDerWaalsContact CG-CD1 3.41Å; S172-I176 WeakPolarHBondContact O-CB 3.16Å; S172-I176 VanDerWaalsContact O-CD1 3.25Å; S172-I176 WeakPolarHBondContact O-CD1 3.23Å; S172-I176 WeakPolarHBondContact O-CG1 3.46Å; S172-I176 PolarHBondContact O-N 2.88Å; V173-I176 PolarHBondContact O-N 2.64Å; V174-I176 VanDerWaalsContact C-N 3.28Å; V174-I176 PolarHBondContact O-N 2.88Å; I176-A178 VanDerWaalsContact C-N 3.31Å; I176-A178 PolarHBondContact O-N 3.11Å; I176-F179 PolarHBondContact O-N 3.47Å; I176-G180 PolarHBondContact O-N 2.99Å
177L78.4Confident74.1Confident1 Ų122.5 Ų22.51%0.00512%0.123CC..Hα-helixtrans-56.4-44.7170.6-174.957.2000111.5W154 V173 V174 G180 M181 L202 M234 I252 L256W154-L177 HydrophobicContact CH2-CB 4.36Å; W154-L177 HydrophobicContact CH2-CD1 4.06Å; W154-L177 HydrophobicContact CZ3-CB 3.83Å; W154-L177 HydrophobicContact CZ3-CD1 4.19Å; V173-L177 WeakPolarHBondContact O-CB 3.28Å; V173-L177 PolarHBondContact O-N 3.39Å; V174-L177 PolarHBondContact O-N 3.45Å; L177-G180 WeakPolarHBondContact O-CA 3.43Å; L177-G180 PolarHBondContact O-N 2.91Å; L177-M181 WeakPolarHBondContact O-CG 3.32Å; L177-M181 PolarHBondContact O-N 3.18Å; L177-L202 HydrophobicContact CD2-CD2 3.97Å; L177-M234 HydrophobicContact CB-CE 4.29Å; L177-M234 HydrophobicContact CD2-CE 3.78Å; L177-M234 HydrophobicContact CG-CE 3.82Å; L177-I252 HydrophobicContact CD1-CD1 4.38Å; L177-I252 HydrophobicContact CD1-CG2 4.24Å; L177-I252 HydrophobicContact CD2-CG2 4.2Å; L177-L256 HydrophobicContact CD2-CD2 4.08Å; L177-L256 HydrophobicContact CD2-CG 4.42Å
178A72.9Confident73.9Confident1 Ų120.3 Ų20.31%0.00811%0.114CC..Hα-helixtrans-63.6-42176.800000113I132 V174 Q175 I176 G180 M181 A182 L229I132-A178 HydrophobicContact CD1-CB 4.26Å; V174-A178 WeakPolarHBondContact O-CB 3.43Å; V174-A178 PolarHBondContact O-N 2.84Å; Q175-A178 PolarHBondContact O-N 2.76Å; I176-A178 VanDerWaalsContact C-N 3.31Å; I176-A178 PolarHBondContact O-N 3.11Å; A178-G180 VanDerWaalsContact C-N 3.32Å; A178-M181 PolarHBondContact O-N 2.92Å; A178-A182 PolarHBondContact O-N 2.92Å; A178-L229 HydrophobicContact CB-CD2 3.81Å
179F75.4Confident73.8Confident9 Ų924.7 Ų24.74%0.03913%0.127CC..Hα-helixtrans-62.5-39.4171.9175.8-113.5000111.6L131 V135 F150 Q175 I176 A182 L183L131-F179 HydrophobicContact CD1-CZ 4.48Å; L131-F179 HydrophobicContact CD2-CB 4.21Å; L131-F179 HydrophobicContact CD2-CD1 3.7Å; L131-F179 HydrophobicContact CD2-CD2 4.18Å; L131-F179 HydrophobicContact CD2-CE1 4.03Å; L131-F179 HydrophobicContact CD2-CE2 4.45Å; L131-F179 HydrophobicContact CD2-CG 3.8Å; L131-F179 HydrophobicContact CD2-CZ 4.4Å; L131-F179 HydrophobicContact CG-CD1 4.23Å; L131-F179 HydrophobicContact CG-CD2 3.87Å; L131-F179 HydrophobicContact CG-CE1 4.31Å; L131-F179 HydrophobicContact CG-CE2 3.93Å; L131-F179 HydrophobicContact CG-CG 4.02Å; L131-F179 HydrophobicContact CG-CZ 4.18Å; L131-F179 WeakPolarHBondContact O-CD2 3.14Å; V135-F179 HydrophobicContact CG2-CD2 4.5Å; V135-F179 HydrophobicContact CG2-CE2 3.6Å; V135-F179 HydrophobicContact CG2-CZ 4.26Å; F150-F179 HydrophobicContact CB-CD1 4.25Å; F150-F179 HydrophobicContact CB-CE1 3.95Å; F150-F179 AromaticContact CD2-CD1 3.98Å; F150-F179 HydrophobicContact CD2-CD1 3.98Å; Q175-F179 PolarHBondContact O-N 3.35Å; I176-F179 PolarHBondContact O-N 3.47Å; F179-A182 WeakPolarHBondContact O-CB 3.21Å; F179-A182 PolarHBondContact O-N 3.37Å; F179-L183 HydrophobicContact CD1-CD1 4.14Å; F179-L183 HydrophobicContact CE1-CD1 3.8Å; F179-L183 HydrophobicContact CZ-CD1 4.09Å; F179-L183 WeakPolarHBondContact O-CG 3.01Å; F179-L183 PolarHBondContact O-N 3.16Å
180G75.6Confident73.4Confident0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-60.4-48.4173.400000113.5F150 I176 L177 A178 A182 L183 A184 Y191F150-G180 VanDerWaalsContact CE2-CA 3.48Å; I176-G180 PolarHBondContact O-N 2.99Å; L177-G180 WeakPolarHBondContact O-CA 3.43Å; L177-G180 PolarHBondContact O-N 2.91Å; A178-G180 VanDerWaalsContact C-N 3.32Å; G180-A182 VanDerWaalsContact C-N 3.26Å; G180-A182 PolarHBondContact O-N 3.43Å; G180-L183 WeakPolarHBondContact O-CB 3.34Å; G180-L183 PolarHBondContact O-N 3.49Å; G180-A184 PolarHBondContact O-N 3.02Å; G180-Y191 WeakPolarHBondContact CA-OH 3.34Å; G180-Y191 PolarHBondContact O-OH 2.89Å
181M74.9Confident73Confident1 Ų128 Ų281%0.00514%0.14CC..Hα-helixtrans-65.2-30.1176-62.6-57.6-90.500112.2L177 A178 K185 L195 M237 I238 I241 I252L177-M181 WeakPolarHBondContact O-CG 3.32Å; L177-M181 PolarHBondContact O-N 3.18Å; A178-M181 PolarHBondContact O-N 2.92Å; M181-K185 PolarHBondContact O-N 3.18Å; M181-L195 HydrophobicContact SD-CD2 4.45Å; M181-M237 HydrophobicContact CB-CB 4.26Å; M181-M237 HydrophobicContact CB-CE 4.35Å; M181-I238 HydrophobicContact CE-CB 4.49Å; M181-I238 HydrophobicContact CE-CG1 3.71Å; M181-I241 HydrophobicContact CB-CD1 4.24Å; M181-I241 HydrophobicContact CE-CD1 3.68Å; M181-I241 WeakPolarHBondContact O-CD1 3.49Å; M181-I241 HydrophobicContact SD-CD1 4.07Å; M181-I252 HydrophobicContact SD-CD1 4.32Å
182A72.4Confident72.5Confident27 Ų2727 Ų2722%0.22314%0.136CC..Hα-helixtrans-66.6-40.117000000112.3A178 F179 G180 K185 L186 M237A178-A182 PolarHBondContact O-N 2.92Å; F179-A182 WeakPolarHBondContact O-CB 3.21Å; F179-A182 PolarHBondContact O-N 3.37Å; G180-A182 VanDerWaalsContact C-N 3.26Å; G180-A182 PolarHBondContact O-N 3.43Å; A182-K185 PolarHBondContact O-N 2.83Å; A182-L186 WeakPolarHBondContact O-CD1 3.28Å; A182-L186 VanDerWaalsContact O-CG 3.31Å; A182-L186 WeakPolarHBondContact O-CG 3.38Å; A182-L186 PolarHBondContact O-N 3.23Å; A182-M237 HydrophobicContact CB-SD 4.07Å
183L73.5Confident72.2Confident2 Ų234.4 Ų34.41%0.0117%0.17CC..Hα-helixtrans-66.3-42174.2-68.1171000112.3V135 L143 A146 F150 F179 G180 K185 L186 V187 Y191V135-L183 HydrophobicContact CG1-CD2 4.21Å; V135-L183 HydrophobicContact CG2-CD2 4.27Å; L143-L183 HydrophobicContact CD2-CD2 3.65Å; L143-L183 HydrophobicContact CG-CD2 4.41Å; A146-L183 HydrophobicContact CB-CD2 3.79Å; F150-L183 HydrophobicContact CB-CD1 3.54Å; F150-L183 HydrophobicContact CG-CD1 3.95Å; F179-L183 HydrophobicContact CD1-CD1 4.14Å; F179-L183 HydrophobicContact CE1-CD1 3.8Å; F179-L183 HydrophobicContact CZ-CD1 4.09Å; F179-L183 WeakPolarHBondContact O-CG 3.01Å; F179-L183 PolarHBondContact O-N 3.16Å; G180-L183 WeakPolarHBondContact O-CB 3.34Å; G180-L183 PolarHBondContact O-N 3.49Å; L183-K185 VanDerWaalsContact C-N 3.28Å; L183-K185 PolarHBondContact O-N 2.9Å; L183-L186 PolarHBondContact O-N 2.97Å; L183-V187 PolarHBondContact O-N 3.35Å; L183-Y191 HydrophobicContact CB-CD2 4.02Å; L183-Y191 HydrophobicContact CB-CE2 3.92Å
184A73.4Confident71.8Confident1 Ų139.1 Ų39.11%0.00819%0.191CC..Hα-helixtrans-56.3-41.8175.800000112.4G180 L186 P188 Y191 L195 I241G180-A184 PolarHBondContact O-N 3.02Å; A184-L186 PolarHBondContact O-N 3Å; A184-P188 WeakPolarHBondContact O-CA 3.39Å; A184-Y191 HydrophobicContact CB-CD1 3.38Å; A184-Y191 HydrophobicContact CB-CE1 3.61Å; A184-Y191 HydrophobicContact CB-CG 3.95Å; A184-L195 HydrophobicContact CB-CD1 4.49Å; A184-I241 HydrophobicContact CB-CD1 3.65Å; A184-I241 HydrophobicContact CB-CG1 4.27Å
185K71.2Confident71.5Confident114 Ų11439.1 Ų39.150%0.49619%0.191SC..Hα-helixtrans-68.4-19.5176.1-179.6169.2176.3171.80113.6M181 A182 L183 M237 D240M181-K185 PolarHBondContact O-N 3.18Å; A182-K185 PolarHBondContact O-N 2.83Å; L183-K185 VanDerWaalsContact C-N 3.28Å; L183-K185 PolarHBondContact O-N 2.9Å; K185-M237 HydrophobicContact CD-CG 4.41Å; K185-D240 HydrophobicContact CD-CB 4.28Å; K185-D240 VanDerWaalsContact CE-OD2 3.27Å; K185-D240 WeakPolarHBondContact CE-OD2 3.24Å; K185-D240 IonicContact NZ-OD2 2.67Å; K185-D240 PolarHBondContact NZ-OD2 3.3Å
186L70.3Confident71.2Confident75 Ų7540.4 Ų40.439%0.39320%0.201SC..Hα-helixtrans-98-42.7-177.2-69.8167.8000113.5V135 L143 A182 L183 A184V135-L186 HydrophobicContact CB-CD1 4.06Å; V135-L186 HydrophobicContact CG1-CD1 3.67Å; L143-L186 HydrophobicContact CD1-CB 3.79Å; L143-L186 HydrophobicContact CD1-CD1 4.33Å; L143-L186 HydrophobicContact CD2-CB 4.06Å; A182-L186 WeakPolarHBondContact O-CD1 3.28Å; A182-L186 VanDerWaalsContact O-CG 3.31Å; A182-L186 WeakPolarHBondContact O-CG 3.38Å; A182-L186 PolarHBondContact O-N 3.23Å; L183-L186 PolarHBondContact O-N 2.97Å; A184-L186 PolarHBondContact O-N 3Å
187V69.9Low70.9Confident30 Ų3043.5 Ų43.518%0.18222%0.222CC..  trans-132.491.3170.6175.30000108.8L143 L183 K190 Y191L143-V187 HydrophobicContact CB-CG2 3.99Å; L143-V187 HydrophobicContact CD1-CG2 4.02Å; L143-V187 HydrophobicContact CD2-CB 4.05Å; L143-V187 HydrophobicContact CD2-CG2 3.85Å; L143-V187 HydrophobicContact CG-CG2 4.15Å; L183-V187 PolarHBondContact O-N 3.35Å; V187-K190 HydrophobicContact CG1-CB 3.95Å; V187-K190 HydrophobicContact CG1-CD 4.39Å; V187-K190 HydrophobicContact CG1-CG 3.97Å; V187-Y191 WeakPolarHBondContact O-CB 3.34Å
188P67.3Low70.6Confident39 Ų3943.6 Ų43.625%0.25322%0.223SC..Hα-helixtrans-67.9-41.5-178.425.7-33.8000112A184 K190 Y191 M192A184-P188 WeakPolarHBondContact O-CA 3.39Å; P188-K190 PolarHBondContact O-N 3.37Å; P188-Y191 PolarHBondContact O-N 3.5Å; P188-Y191 VanDerWaalsContact O-N 3.09Å; P188-M192 HydrophobicContact CB-CG 4.35Å; P188-M192 WeakPolarHBondContact O-CB 3.23Å; P188-M192 VanDerWaalsContact O-CG 3.23Å; P188-M192 WeakPolarHBondContact O-CG 3.38Å; P188-M192 PolarHBondContact O-N 2.83Å
189E67.6Low70.7Confident164 Ų16443.6 Ų43.677%0.76622%0.222SC*.Hα-helixtrans-52.5-53.4-174.3-63.9172.3178.900113.2Y191E189-Y191 VanDerWaalsContact C-N 3.33Å; E189-Y191 PolarHBondContact O-N 2.9Å
190K66.6Low70.7Confident74 Ų7444.3 Ų44.332%0.32223%0.232SC..Hα-helixtrans-76.2-18.3-178.7-60.7-170.3179.4-172.20113.8E144 V187 P188E144-K190 HydrophobicContact CB-CD 4.35Å; E144-K190 WeakPolarHBondContact OE1-CD 3.29Å; E144-K190 WeakPolarHBondContact OE1-CE 3.5Å; E144-K190 IonicContact OE1-NZ 2.89Å; E144-K190 PolarHBondContact OE1-NZ 2.79Å; E144-K190 IonicContact OE2-NZ 3.78Å; E144-K190 PolarHBondContact OE2-NZ 3.06Å; V187-K190 HydrophobicContact CG1-CB 3.95Å; V187-K190 HydrophobicContact CG1-CD 4.39Å; V187-K190 HydrophobicContact CG1-CG 3.97Å; P188-K190 PolarHBondContact O-N 3.37Å
191Y67.6Low70.9Confident3 Ų346.8 Ų46.81%0.01224%0.243CC..Hα-helixtrans-95.6-33.1-176.3-159.4-84.4000112F150 Y151 G180 L183 A184 V187 P188 E189 Q193 K194 L195 L198F150-Y191 AromaticContact CD1-CE2 3.64Å; F150-Y191 HydrophobicContact CD1-CE2 3.64Å; F150-Y191 AromaticContact CE1-CE2 3.64Å; F150-Y191 HydrophobicContact CE1-CE2 3.64Å; F150-Y191 AromaticContact CE1-CZ 3.61Å; F150-Y191 WeakPolarHBondContact CE1-OH 3.38Å; F150-Y191 HydrophobicContact CG-CE2 4.42Å; F150-Y191 HydrophobicContact CZ-CE2 4.41Å; F150-Y191 WeakPolarHBondContact CZ-OH 3.31Å; Y151-Y191 WeakPolarHBondContact OH-CD2 3.4Å; Y151-Y191 WeakPolarHBondContact OH-CE2 3.47Å; G180-Y191 WeakPolarHBondContact CA-OH 3.34Å; G180-Y191 PolarHBondContact O-OH 2.89Å; L183-Y191 HydrophobicContact CB-CD2 4.02Å; L183-Y191 HydrophobicContact CB-CE2 3.92Å; A184-Y191 HydrophobicContact CB-CD1 3.38Å; A184-Y191 HydrophobicContact CB-CE1 3.61Å; A184-Y191 HydrophobicContact CB-CG 3.95Å; V187-Y191 WeakPolarHBondContact O-CB 3.34Å; P188-Y191 PolarHBondContact O-N 3.5Å; P188-Y191 VanDerWaalsContact O-N 3.09Å; E189-Y191 VanDerWaalsContact C-N 3.33Å; E189-Y191 PolarHBondContact O-N 2.9Å; Y191-Q193 PolarHBondContact O-N 3.23Å; Y191-K194 PolarHBondContact O-N 2.95Å; Y191-L195 HydrophobicContact CD1-CD1 3.68Å; Y191-L195 HydrophobicContact CD1-CG 3.72Å; Y191-L195 HydrophobicContact CE1-CD1 3.91Å; Y191-L195 HydrophobicContact CE1-CD2 4.12Å; Y191-L195 HydrophobicContact CE1-CG 3.61Å; Y191-L195 PolarHBondContact O-N 3.21Å; Y191-L195 VanDerWaalsContact O-N 3.08Å; Y191-L198 HydrophobicContact CE1-CD1 3.74Å; Y191-L198 WeakPolarHBondContact OH-CD1 3.25Å
192M65.2Low71.1Confident16 Ų1646.8 Ų46.88%0.07924%0.243CC..Hα-helixtrans-68.9-25.1-173.1-83.1-57.7-15100115.6P188 K194 L195 I241 Q244 K245P188-M192 HydrophobicContact CB-CG 4.35Å; P188-M192 WeakPolarHBondContact O-CB 3.23Å; P188-M192 VanDerWaalsContact O-CG 3.23Å; P188-M192 WeakPolarHBondContact O-CG 3.38Å; P188-M192 PolarHBondContact O-N 2.83Å; M192-K194 VanDerWaalsContact C-N 3.32Å; M192-L195 HydrophobicContact CE-CD1 4.42Å; M192-L195 HydrophobicContact SD-CD1 3.35Å; M192-L195 WeakPolarHBondContact SD-CD1 3.42Å; M192-I241 HydrophobicContact CE-CG2 3.44Å; M192-I241 VanDerWaalsContact CE-CG2 3.44Å; M192-I241 HydrophobicContact SD-CG2 4.36Å; M192-Q244 HydrophobicContact CE-CB 3.31Å; M192-Q244 HydrophobicContact CE-CG 4.47Å; M192-K245 HydrophobicContact CB-CD 4.06Å; M192-K245 HydrophobicContact CB-CG 4.39Å; M192-K245 HydrophobicContact CE-CB 3.68Å; M192-K245 HydrophobicContact CE-CG 4.1Å; M192-K245 HydrophobicContact CG-CD 4.5Å; M192-K245 HydrophobicContact CG-CG 4.38Å; M192-K245 VanDerWaalsContact O-CD 3.29Å; M192-K245 WeakPolarHBondContact O-CD 3.39Å; M192-K245 VanDerWaalsContact O-CE 3.3Å; M192-K245 WeakPolarHBondContact O-CE 3.01Å; M192-K245 PolarHBondContact O-NZ 2.96Å; M192-K245 HydrophobicContact SD-CB 3.69Å; M192-K245 HydrophobicContact SD-CD 4Å; M192-K245 HydrophobicContact SD-CG 3.83Å
193Q66.6Low71.4Confident159 Ų15946.6 Ų46.674%0.74324%0.238SC*.THydrogen-bonded Turntrans-70.9-31.3171.1-74.8-177.1-20.800112.2Y191Y191-Q193 PolarHBondContact O-N 3.23Å
194K69.7Low71.7Confident99 Ų9949.3 Ų49.343%0.4325%0.253SS..THydrogen-bonded Turntrans-95.9-13.7-172.6-65.6175.8178.6179.60113.6Y151 Y191 M192 S196 S197 L198Y151-K194 HydrophobicContact CD1-CB 4.38Å; Y151-K194 HydrophobicContact CD1-CD 4.36Å; Y151-K194 HydrophobicContact CD2-CD 3.85Å; Y151-K194 HydrophobicContact CE1-CB 3.47Å; Y151-K194 VanDerWaalsContact CE1-CB 3.47Å; Y151-K194 HydrophobicContact CE1-CD 3.92Å; Y151-K194 HydrophobicContact CE1-CG 4.31Å; Y151-K194 HydrophobicContact CE2-CB 4.31Å; Y151-K194 HydrophobicContact CE2-CD 3.38Å; Y151-K194 HydrophobicContact CE2-CG 4.48Å; Y151-K194 HydrophobicContact CG-CD 4.36Å; Y151-K194 VanDerWaalsContact CZ-CB 3.48Å; Y151-K194 VanDerWaalsContact CZ-CD 3.46Å; Y151-K194 WeakPolarHBondContact OH-CB 3.45Å; Y191-K194 PolarHBondContact O-N 2.95Å; M192-K194 VanDerWaalsContact C-N 3.32Å; K194-S196 PolarHBondContact O-N 2.9Å; K194-S196 VanDerWaalsContact O-N 3.16Å; K194-S197 VanDerWaalsContact O-CB 3.31Å; K194-S197 WeakPolarHBondContact O-CB 3.37Å; K194-S197 PolarHBondContact O-N 3.28Å; K194-L198 PolarHBondContact O-N 2.86Å
195L69.6Low72Confident0 Ų049.3 Ų49.30%025%0.253CS..Hα-helixtrans-51.9-34.7173.7-107.8162.2000113.6M181 A184 Y191 M192 S197 L198 S199 I241 P248 I252M181-L195 HydrophobicContact SD-CD2 4.45Å; A184-L195 HydrophobicContact CB-CD1 4.49Å; Y191-L195 HydrophobicContact CD1-CD1 3.68Å; Y191-L195 HydrophobicContact CD1-CG 3.72Å; Y191-L195 HydrophobicContact CE1-CD1 3.91Å; Y191-L195 HydrophobicContact CE1-CD2 4.12Å; Y191-L195 HydrophobicContact CE1-CG 3.61Å; Y191-L195 PolarHBondContact O-N 3.21Å; Y191-L195 VanDerWaalsContact O-N 3.08Å; M192-L195 HydrophobicContact CE-CD1 4.42Å; M192-L195 HydrophobicContact SD-CD1 3.35Å; M192-L195 WeakPolarHBondContact SD-CD1 3.42Å; L195-S197 VanDerWaalsContact C-N 3.33Å; L195-S197 PolarHBondContact O-N 3.35Å; L195-L198 HydrophobicContact CD2-CD1 4.09Å; L195-L198 HydrophobicContact CG-CD1 4.32Å; L195-L198 WeakPolarHBondContact O-CB 3.38Å; L195-L198 PolarHBondContact O-N 3.45Å; L195-S199 PolarHBondContact O-N 3.31Å; L195-S199 PolarHBondContact O-OG 2.84Å; L195-I241 HydrophobicContact CD1-CG2 4.39Å; L195-P248 HydrophobicContact CB-CB 4.1Å; L195-I252 HydrophobicContact CD2-CD1 3.35Å
196S68.8Low72.3Confident33 Ų3344.7 Ų44.723%0.23123%0.233CC..Hα-helixtrans-62.6-35.5174.7-51.50000113.4K194 S199 G200K194-S196 PolarHBondContact O-N 2.9Å; K194-S196 VanDerWaalsContact O-N 3.16Å; S196-S199 WeakPolarHBondContact CA-OG 3.2Å; S196-S199 PolarHBondContact O-OG 2.95Å; S196-G200 PolarHBondContact O-N 3.25Å; S196-G200 VanDerWaalsContact O-N 3.09Å
197S72.2Confident72.6Confident66 Ų6647.3 Ų47.346%0.46224%0.237SC..Hα-helixtrans-70.4-34.5175.8-176.10000111.5K194 L195 K201K194-S197 VanDerWaalsContact O-CB 3.31Å; K194-S197 WeakPolarHBondContact O-CB 3.37Å; K194-S197 PolarHBondContact O-N 3.28Å; L195-S197 VanDerWaalsContact C-N 3.33Å; L195-S197 PolarHBondContact O-N 3.35Å; S197-K201 PolarHBondContact O-N 3.39Å
198L72.5Confident73.1Confident2 Ų250.1 Ų50.11%0.0125%0.247CC..Hα-helixtrans-66.7-47.4173.5-51.3177.2000111.2F150 Y151 W154 Y191 K194 L195 G200 K201 L202F150-L198 HydrophobicContact CE1-CD1 3.7Å; F150-L198 HydrophobicContact CE1-CD2 3.67Å; F150-L198 HydrophobicContact CE1-CG 4.33Å; F150-L198 HydrophobicContact CZ-CD1 3.72Å; F150-L198 HydrophobicContact CZ-CD2 3.72Å; F150-L198 HydrophobicContact CZ-CG 4.37Å; Y151-L198 HydrophobicContact CD1-CD2 4.02Å; Y151-L198 HydrophobicContact CE1-CD1 4.32Å; Y151-L198 HydrophobicContact CE1-CD2 3.92Å; Y151-L198 HydrophobicContact CE1-CG 4.3Å; W154-L198 HydrophobicContact CB-CD2 4.43Å; W154-L198 HydrophobicContact CD2-CD2 4.04Å; W154-L198 HydrophobicContact CG-CD2 3.69Å; W154-L198 HydrophobicContact CZ2-CB 4.32Å; W154-L198 WeakPolarHBondContact CZ2-O 3.46Å; Y191-L198 HydrophobicContact CE1-CD1 3.74Å; Y191-L198 WeakPolarHBondContact OH-CD1 3.25Å; K194-L198 PolarHBondContact O-N 2.86Å; L195-L198 HydrophobicContact CD2-CD1 4.09Å; L195-L198 HydrophobicContact CG-CD1 4.32Å; L195-L198 WeakPolarHBondContact O-CB 3.38Å; L195-L198 PolarHBondContact O-N 3.45Å; L198-G200 PolarHBondContact O-N 2.97Å; L198-K201 PolarHBondContact O-N 2.99Å; L198-L202 WeakPolarHBondContact O-CB 3.46Å; L198-L202 PolarHBondContact O-N 3.36Å; L198-L202 VanDerWaalsContact O-N 3.1Å
199S74.7Confident73.5Confident1 Ų148.6 Ų48.61%0.00724%0.237CC..Hα-helixtrans-63.7-40-17955.50000112.3L195 S196 L202 I203L195-S199 PolarHBondContact O-N 3.31Å; L195-S199 PolarHBondContact O-OG 2.84Å; S196-S199 WeakPolarHBondContact CA-OG 3.2Å; S196-S199 PolarHBondContact O-OG 2.95Å; S199-L202 PolarHBondContact O-N 3.44Å; S199-I203 PolarHBondContact O-N 3.17Å
200G75Confident73.7Confident24 Ų2446.2 Ų46.225%0.24723%0.226CC..Hα-helixtrans-59.5-53175.200000112.5S196 L198 L202 I203S196-G200 PolarHBondContact O-N 3.25Å; S196-G200 VanDerWaalsContact O-N 3.09Å; L198-G200 PolarHBondContact O-N 2.97Å; G200-L202 PolarHBondContact O-N 3.43Å; G200-I203 WeakPolarHBondContact O-CB 3.2Å; G200-I203 PolarHBondContact O-N 3.09Å
201K79.3Confident74.1Confident52 Ų5249.2 Ų49.223%0.22625%0.246CC..Hα-helixtrans-62.2-24179-72.6-165.6177.8-162.70113.9E155 V158 S197 L198 D204 V205E155-K201 IonicContact OE1-NZ 2.85Å; E155-K201 PolarHBondContact OE1-NZ 2.93Å; V158-K201 HydrophobicContact CG1-CB 4.23Å; S197-K201 PolarHBondContact O-N 3.39Å; L198-K201 PolarHBondContact O-N 2.99Å; K201-D204 PolarHBondContact O-N 2.91Å; K201-V205 PolarHBondContact O-N 2.83Å
202L79.3Confident74.1Confident1 Ų150.8 Ų50.81%0.00526%0.257CS..Hα-helixtrans-75.3-25.1176.5-166.756.2000112.8W154 L177 L198 S199 G200 V205 E206 I252 Q255 M259W154-L202 HydrophobicContact CH2-CD1 4.02Å; W154-L202 HydrophobicContact CZ2-CB 4.33Å; L177-L202 HydrophobicContact CD2-CD2 3.97Å; L198-L202 WeakPolarHBondContact O-CB 3.46Å; L198-L202 PolarHBondContact O-N 3.36Å; L198-L202 VanDerWaalsContact O-N 3.1Å; S199-L202 PolarHBondContact O-N 3.44Å; G200-L202 PolarHBondContact O-N 3.43Å; L202-V205 HydrophobicContact CD1-CB 4.16Å; L202-V205 HydrophobicContact CD1-CG1 4.28Å; L202-V205 WeakPolarHBondContact O-CB 3.4Å; L202-V205 PolarHBondContact O-N 3.33Å; L202-E206 PolarHBondContact O-N 3.26Å; L202-I252 HydrophobicContact CD2-CG1 4.25Å; L202-I252 HydrophobicContact CD2-CG2 4.44Å; L202-Q255 HydrophobicContact CB-CG 4.37Å; L202-Q255 HydrophobicContact CD2-CB 3.63Å; L202-Q255 HydrophobicContact CD2-CG 4.2Å; L202-Q255 HydrophobicContact CG-CB 3.73Å; L202-Q255 HydrophobicContact CG-CG 4Å; L202-M259 HydrophobicContact CD1-CE 3.77Å; L202-M259 HydrophobicContact CD1-SD 4.2Å; L202-M259 HydrophobicContact CD2-CE 4.36Å; L202-M259 HydrophobicContact CG-CE 4.24Å
203I78.3Confident74Confident24 Ų2453 Ų5312%0.12328%0.284CS..Hα-helixtrans-66.2-40.9171.8-55.3164.2000109.9S199 G200 V205 E206 R207 V251S199-I203 PolarHBondContact O-N 3.17Å; G200-I203 WeakPolarHBondContact O-CB 3.2Å; G200-I203 PolarHBondContact O-N 3.09Å; I203-V205 VanDerWaalsContact C-N 3.29Å; I203-V205 PolarHBondContact O-N 3.4Å; I203-E206 PolarHBondContact O-N 3.26Å; I203-R207 WeakPolarHBondContact O-CG 3.42Å; I203-R207 PolarHBondContact O-N 2.99Å; I203-V251 HydrophobicContact CD1-CG1 4.48Å; I203-V251 HydrophobicContact CG1-CG1 4.46Å
204D81.1Confident73.8Confident59 Ų5948.5 Ų48.532%0.31626%0.264SS..Hα-helixtrans-64.1-36176.7-57.2-41.5000111.7L162 K201 R207 K208L162-D204 HydrophobicContact CD1-CB 4.18Å; L162-D204 HydrophobicContact CD2-CB 3.99Å; L162-D204 WeakPolarHBondContact CD2-O 3.49Å; K201-D204 PolarHBondContact O-N 2.91Å; D204-R207 IonicContact OD1-CZ 3.43Å; D204-R207 IonicContact OD1-NH1 2.66Å; D204-R207 PolarHBondContact OD1-NH1 3.34Å; D204-R207 IonicContact OD1-NH2 2.74Å; D204-K208 VanDerWaalsContact O-CB 3.28Å; D204-K208 WeakPolarHBondContact O-CB 3.47Å; D204-K208 PolarHBondContact O-N 3.11Å
205V80Confident73.2Confident0 Ų046.6 Ų46.60%026%0.261CS..Hα-helixtrans-63.3-44.3172.4171.60000111.3V158 F161 L170 K201 L202 I203 K208 L209 M259V158-V205 HydrophobicContact CB-CG2 4.37Å; V158-V205 HydrophobicContact CG1-CG2 3.73Å; V158-V205 HydrophobicContact CG2-CG2 4.06Å; F161-V205 HydrophobicContact CD1-CB 4.28Å; F161-V205 HydrophobicContact CD1-CG1 3.84Å; F161-V205 HydrophobicContact CD1-CG2 4.12Å; F161-V205 HydrophobicContact CE1-CB 4.41Å; F161-V205 HydrophobicContact CE1-CG1 3.8Å; L170-V205 HydrophobicContact CD1-CG1 4.44Å; K201-V205 PolarHBondContact O-N 2.83Å; L202-V205 HydrophobicContact CD1-CB 4.16Å; L202-V205 HydrophobicContact CD1-CG1 4.28Å; L202-V205 WeakPolarHBondContact O-CB 3.4Å; L202-V205 PolarHBondContact O-N 3.33Å; I203-V205 VanDerWaalsContact C-N 3.29Å; I203-V205 PolarHBondContact O-N 3.4Å; V205-K208 PolarHBondContact O-N 2.96Å; V205-L209 VanDerWaalsContact O-CB 3.24Å; V205-L209 WeakPolarHBondContact O-CB 3.38Å; V205-L209 PolarHBondContact O-N 3.04Å; V205-M259 HydrophobicContact CG1-SD 3.96Å
206E76.2Confident72.4Confident18 Ų1849.5 Ų49.58%0.08428%0.28CS..Hα-helixtrans-59.5-53.7174.1168.8-170.1-137.400111.8L202 I203 K208 L209 Q210 Q255 S258 K315L202-E206 PolarHBondContact O-N 3.26Å; I203-E206 PolarHBondContact O-N 3.26Å; E206-K208 VanDerWaalsContact C-N 3.27Å; E206-K208 PolarHBondContact O-N 3.1Å; E206-L209 PolarHBondContact O-N 3.37Å; E206-Q210 HydrophobicContact CG-CG 4.5Å; E206-Q210 VanDerWaalsContact CG-NE2 3.35Å; E206-Q210 WeakPolarHBondContact O-CG 3.43Å; E206-Q210 PolarHBondContact O-N 2.55Å; E206-Q210 PolarHBondContact OE1-NE2 2.68Å; E206-Q255 PolarHBondContact OE2-NE2 3.27Å; E206-Q255 PolarHBondContact OE2-OE1 3.22Å; E206-S258 WeakPolarHBondContact OE1-CB 3.36Å; E206-S258 PolarHBondContact OE1-OG 3.09Å; E206-K315 IonicContact OE1-NZ 2.72Å; E206-K315 PolarHBondContact OE1-NZ 2.92Å; E206-K315 IonicContact OE2-NZ 3.12Å
207R78Confident71.6Confident129 Ų12958.1 Ų58.149%0.48731%0.313SS..Hα-helixtrans-57-43179.5-64.1-165.3-143.2104.62.7111I203 D204 N211I203-R207 WeakPolarHBondContact O-CG 3.42Å; I203-R207 PolarHBondContact O-N 2.99Å; D204-R207 IonicContact OD1-CZ 3.43Å; D204-R207 IonicContact OD1-NH1 2.66Å; D204-R207 PolarHBondContact OD1-NH1 3.34Å; D204-R207 IonicContact OD1-NH2 2.74Å; R207-N211 WeakPolarHBondContact O-CB 3.48Å; R207-N211 VanDerWaalsContact O-CG 3.23Å; R207-N211 PolarHBondContact O-N 3.43Å; R207-N211 PolarHBondContact O-OD1 3.16Å
208K79.6Confident70.4Confident89 Ų8959.1 Ų59.139%0.38733%0.325SS..Hα-helixtrans-71.9-35.8180-165.865.2171.3-179.30112.5F161 L162 D204 V205 E206 N211 S212F161-K208 HydrophobicContact CE1-CB 4.19Å; F161-K208 HydrophobicContact CE1-CG 4.46Å; L162-K208 HydrophobicContact CD2-CB 3.7Å; L162-K208 HydrophobicContact CD2-CG 4.09Å; L162-K208 WeakPolarHBondContact O-CE 3.44Å; D204-K208 VanDerWaalsContact O-CB 3.28Å; D204-K208 WeakPolarHBondContact O-CB 3.47Å; D204-K208 PolarHBondContact O-N 3.11Å; V205-K208 PolarHBondContact O-N 2.96Å; E206-K208 VanDerWaalsContact C-N 3.27Å; E206-K208 PolarHBondContact O-N 3.1Å; K208-N211 PolarHBondContact O-N 3.15Å; K208-S212 WeakPolarHBondContact O-CB 3.09Å; K208-S212 PolarHBondContact O-N 3.09Å; K208-S212 PolarHBondContact O-OG 2.95Å
209L76Confident69.5Low7 Ų765.4 Ų65.44%0.03735%0.354CS..Hα-helixtrans-63-49.5174.4-178.465.8000110.6F161 L170 V205 E206 N211 S212 L214 V215 M259F161-L209 HydrophobicContact CE1-CB 4.25Å; F161-L209 HydrophobicContact CE2-CD1 4.44Å; F161-L209 HydrophobicContact CZ-CB 3.9Å; F161-L209 HydrophobicContact CZ-CD1 3.89Å; F161-L209 HydrophobicContact CZ-CG 4.48Å; L170-L209 HydrophobicContact CD1-CD2 4.41Å; L170-L209 HydrophobicContact CD2-CD1 4.06Å; L170-L209 HydrophobicContact CD2-CD2 4.32Å; V205-L209 VanDerWaalsContact O-CB 3.24Å; V205-L209 WeakPolarHBondContact O-CB 3.38Å; V205-L209 PolarHBondContact O-N 3.04Å; E206-L209 PolarHBondContact O-N 3.37Å; L209-N211 VanDerWaalsContact C-N 3.34Å; L209-N211 PolarHBondContact O-N 3.33Å; L209-S212 PolarHBondContact O-N 3.29Å; L209-S212 VanDerWaalsContact O-N 3.16Å; L209-S212 PolarHBondContact O-OG 2.59Å; L209-L214 HydrophobicContact CD1-CB 4.35Å; L209-L214 HydrophobicContact CD1-CD1 4.39Å; L209-V215 HydrophobicContact CD1-CG2 4Å; L209-V215 HydrophobicContact CD2-CG2 4.33Å; L209-V215 HydrophobicContact CG-CG2 4.01Å; L209-M259 HydrophobicContact CD2-CB 4.03Å; L209-M259 HydrophobicContact CD2-CG 3.88Å
210Q72.3Confident68.5Low115 Ų11567.5 Ų67.554%0.53736%0.363SS..Hα-helixtrans-58.4-44.8177-70.1172.5-1.300111.4E206 S212 S258E206-Q210 HydrophobicContact CG-CG 4.5Å; E206-Q210 VanDerWaalsContact CG-NE2 3.35Å; E206-Q210 WeakPolarHBondContact O-CG 3.43Å; E206-Q210 PolarHBondContact O-N 2.55Å; E206-Q210 PolarHBondContact OE1-NE2 2.68Å; Q210-S212 VanDerWaalsContact C-N 3.3Å; Q210-S212 PolarHBondContact O-N 3.1Å; Q210-S258 PolarHBondContact NE2-OG 2.85Å
211N74.5Confident67.8Low137 Ų13768.9 Ų68.973%0.73336%0.363SS*.THydrogen-bonded Turntrans-78.7-5.4179.8-65.52.7000114.4R207 K208 L209R207-N211 WeakPolarHBondContact O-CB 3.48Å; R207-N211 VanDerWaalsContact O-CG 3.23Å; R207-N211 PolarHBondContact O-N 3.43Å; R207-N211 PolarHBondContact O-OD1 3.16Å; K208-N211 PolarHBondContact O-N 3.15Å; L209-N211 VanDerWaalsContact C-N 3.34Å; L209-N211 PolarHBondContact O-N 3.33Å
212S67.2Low66.9Low35 Ų3567.1 Ų67.125%0.24536%0.359CS..THydrogen-bonded Turntrans-88.6-11.1-175.267.20000115.1K208 L209 Q210 L214K208-S212 WeakPolarHBondContact O-CB 3.09Å; K208-S212 PolarHBondContact O-N 3.09Å; K208-S212 PolarHBondContact O-OG 2.95Å; L209-S212 PolarHBondContact O-N 3.29Å; L209-S212 VanDerWaalsContact O-N 3.16Å; L209-S212 PolarHBondContact O-OG 2.59Å; Q210-S212 VanDerWaalsContact C-N 3.3Å; Q210-S212 PolarHBondContact O-N 3.1Å; S212-L214 PolarHBondContact O-N 3.01Å; S212-L214 VanDerWaalsContact O-N 3.1Å; S212-L214 WeakPolarHBondContact OG-CB 3.42Å; S212-L214 WeakPolarHBondContact OG-CD1 2.91Å; S212-L214 WeakPolarHBondContact OG-CG 3.25Å; S212-L214 PolarHBondContact OG-N 2.9Å
213G63.3Low66.2Low63 Ų6367.5 Ų67.565%0.64936%0.361SS*.SBendtrans68.6-2.1-173.400000115.3V215G213-V215 PolarHBondContact O-N 2.69Å
214L61.8Low65.5Low64 Ų6476.2 Ų76.234%0.33539%0.392SS..  trans-63.8-19.9-178.6-71.9175.8000114.7P165 L209 S212 P216 F221P165-L214 VanDerWaalsContact C-CD1 3.48Å; P165-L214 HydrophobicContact CB-CD1 3.81Å; L209-L214 HydrophobicContact CD1-CB 4.35Å; L209-L214 HydrophobicContact CD1-CD1 4.39Å; S212-L214 PolarHBondContact O-N 3.01Å; S212-L214 VanDerWaalsContact O-N 3.1Å; S212-L214 WeakPolarHBondContact OG-CB 3.42Å; S212-L214 WeakPolarHBondContact OG-CD1 2.91Å; S212-L214 WeakPolarHBondContact OG-CG 3.25Å; S212-L214 PolarHBondContact OG-N 2.9Å; L214-P216 WeakPolarHBondContact O-CD 3.47Å; L214-F221 WeakPolarHBondContact O-CE2 3.47Å
215V58Low64.7Low60 Ų6079.7 Ų79.736%0.36441%0.407SS..SBendtrans-100.4104.2175.4-175.90000107.7L209 G213 K217 F221L209-V215 HydrophobicContact CD1-CG2 4Å; L209-V215 HydrophobicContact CD2-CG2 4.33Å; L209-V215 HydrophobicContact CG-CG2 4.01Å; G213-V215 PolarHBondContact O-N 2.69Å; V215-K217 PolarHBondContact O-N 3.26Å; V215-F221 HydrophobicContact CG2-CD2 4.39Å; V215-F221 HydrophobicContact CG2-CE2 4.42Å
216P52.8Low63.8Low61 Ų6179.7 Ų79.740%0.39641%0.407SS..  trans-63.3133.7173.5-15.830.1000108.6L214 A218 H219L214-P216 WeakPolarHBondContact O-CD 3.47Å; P216-A218 PolarHBondContact O-N 3.03Å; P216-H219 HydrophobicContact CB-CB 4.18Å; P216-H219 HydrophobicContact CG-CB 4.15Å; P216-H219 PolarHBondContact O-N 3.22Å
217K52.5Low63.3Low214 Ų21479.1 Ų79.193%0.9340%0.404SS*.THydrogen-bonded Turntrans-54.7-16.2-177.1-69-176.7178.1178.90114.6V215V215-K217 PolarHBondContact O-N 3.26Å
218A46.8Very low62.6Low86 Ų8677.9 Ų77.971%0.71141%0.408SS*.THydrogen-bonded Turntrans-106.1-10.4178.400000115.5P216P216-A218 PolarHBondContact O-N 3.03Å
219H52.7Low61.9Low134 Ų13474.4 Ų74.462%0.6239%0.393SS*.  trans-116.3119.3-173.9-77.1-67.9000113.4P216P216-H219 HydrophobicContact CB-CB 4.18Å; P216-H219 HydrophobicContact CG-CB 4.15Å; P216-H219 PolarHBondContact O-N 3.22Å
220F53.8Low61.7Low45 Ų4576.5 Ų76.520%0.19741%0.409CS..PPolyproline II helixtrans-77.4123.1173.6-77.2-97.4000111.4P261 A262 M265 Y323F220-P261 HydrophobicContact CD1-CB 3.98Å; F220-P261 HydrophobicContact CE1-CB 3.88Å; F220-A262 HydrophobicContact CB-CB 4.07Å; F220-A262 HydrophobicContact CD1-CB 3.92Å; F220-A262 HydrophobicContact CG-CB 4.48Å; F220-M265 HydrophobicContact CE1-CG 4.24Å; F220-M265 HydrophobicContact CE1-SD 4.19Å; F220-M265 HydrophobicContact CZ-SD 4.18Å; F220-Y323 AromaticContact CE1-CD2 3.68Å; F220-Y323 HydrophobicContact CE1-CD2 3.68Å; F220-Y323 AromaticContact CE1-CE2 3.73Å; F220-Y323 HydrophobicContact CE1-CE2 3.73Å; F220-Y323 HydrophobicContact CE1-CG 4.11Å; F220-Y323 AromaticContact CE2-CD1 3.76Å; F220-Y323 HydrophobicContact CE2-CD1 3.76Å; F220-Y323 HydrophobicContact CE2-CD2 4.36Å; F220-Y323 AromaticContact CE2-CE1 3.84Å; F220-Y323 HydrophobicContact CE2-CE1 3.84Å; F220-Y323 HydrophobicContact CE2-CE2 4.43Å; F220-Y323 HydrophobicContact CE2-CG 4.04Å; F220-Y323 AromaticContact CZ-CD1 3.5Å; F220-Y323 HydrophobicContact CZ-CD1 3.5Å; F220-Y323 VanDerWaalsContact CZ-CD1 3.5Å; F220-Y323 AromaticContact CZ-CD2 3.34Å; F220-Y323 HydrophobicContact CZ-CD2 3.34Å; F220-Y323 AromaticContact CZ-CE1 3.76Å; F220-Y323 HydrophobicContact CZ-CE1 3.76Å; F220-Y323 AromaticContact CZ-CE2 3.62Å; F220-Y323 HydrophobicContact CZ-CE2 3.62Å; F220-Y323 AromaticContact CZ-CG 3.29Å; F220-Y323 HydrophobicContact CZ-CG 3.29Å; F220-Y323 AromaticContact CZ-CZ 3.81Å
221F61.4Low61.7Low54 Ų5472.1 Ų72.124%0.23739%0.39CS..PPolyproline II helixtrans-81117.6160.2-71.3-66.6000110.6L167 L214 V215 E225 V226 F260 A262L167-F221 HydrophobicContact CD1-CD1 3.95Å; L167-F221 HydrophobicContact CD1-CE1 3.55Å; L167-F221 HydrophobicContact CD1-CE2 4.32Å; L167-F221 HydrophobicContact CD1-CZ 3.76Å; L214-F221 WeakPolarHBondContact O-CE2 3.47Å; V215-F221 HydrophobicContact CG2-CD2 4.39Å; V215-F221 HydrophobicContact CG2-CE2 4.42Å; F221-E225 WeakPolarHBondContact CA-OE2 3.21Å; F221-V226 HydrophobicContact CB-CG2 4.25Å; F221-F260 HydrophobicContact CB-CD1 4.37Å; F221-A262 WeakPolarHBondContact O-CB 3.28Å
222G60.4Low61.9Low14 Ų1468.8 Ų68.814%0.14437%0.371CS..PPolyproline II helixtrans-62.7134.7166.400000110.8R224 E225 V226G222-R224 PolarHBondContact O-N 3.23Å; G222-E225 PolarHBondContact N-OE2 3.02Å; G222-E225 WeakPolarHBondContact O-CA 3.04Å; G222-E225 WeakPolarHBondContact O-CB 3.19Å; G222-E225 PolarHBondContact O-N 2.79Å; G222-V226 PolarHBondContact O-N 3.04Å
223L64.7Low62.5Low9 Ų973 Ų735%0.04739%0.385CS..Hα-helixtrans-56.2-27.4168.2-169.480.1000111V174 E225 V226 V227 P231 M234 F260 F263V174-L223 HydrophobicContact CG1-CD1 4.09Å; L223-E225 VanDerWaalsContact C-N 3.32Å; L223-V226 CarbonylContact O-C 3.51Å; L223-V226 PolarHBondContact O-N 3.05Å; L223-V227 HydrophobicContact CD1-CG2 4.12Å; L223-V227 HydrophobicContact CG-CG2 4.16Å; L223-V227 WeakPolarHBondContact O-CB 3.34Å; L223-V227 WeakPolarHBondContact O-CG2 3.23Å; L223-V227 PolarHBondContact O-N 3.3Å; L223-P231 HydrophobicContact CB-CG 4.29Å; L223-P231 HydrophobicContact CD2-CB 3.87Å; L223-P231 HydrophobicContact CD2-CG 3.98Å; L223-M234 HydrophobicContact CD2-SD 4.16Å; L223-F260 HydrophobicContact CD1-CB 4.38Å; L223-F260 HydrophobicContact CD1-CD2 3.5Å; L223-F260 HydrophobicContact CD1-CE2 3.91Å; L223-F260 HydrophobicContact CD1-CG 3.86Å; L223-F263 HydrophobicContact CB-CB 4.48Å
224R63.4Low63.1Low207 Ų20770.3 Ų70.378%0.78136%0.355SS*.Hα-helixtrans-73-18174.2-160.9-179.7-173.2-167.41.5114.5G222 V227G222-R224 PolarHBondContact O-N 3.23Å; R224-V227 WeakPolarHBondContact CA-O 3.25Å
225E62.7Low64.1Low132 Ų13267.5 Ų67.562%0.61734%0.34SS*.Hα-helixtrans-87.2-24.3174.2-60.8163.3178.100110.7F221 G222 L223F221-E225 WeakPolarHBondContact CA-OE2 3.21Å; G222-E225 PolarHBondContact N-OE2 3.02Å; G222-E225 WeakPolarHBondContact O-CA 3.04Å; G222-E225 WeakPolarHBondContact O-CB 3.19Å; G222-E225 PolarHBondContact O-N 2.79Å; L223-E225 VanDerWaalsContact C-N 3.32Å
226V62.6Low65.2Low1 Ų166.9 Ų66.91%0.00634%0.339CS..Hα-helixtrans-102.5-12.9-179-177.10000112.4L170 H171 V174 F221 G222 L223 F260L170-V226 HydrophobicContact CD2-CG1 4.5Å; L170-V226 HydrophobicContact CG-CG1 4.26Å; H171-V226 HydrophobicContact CB-CG1 4.21Å; H171-V226 PolarHBondContact CD2-O 3.49Å; V174-V226 HydrophobicContact CG2-CG1 4.49Å; F221-V226 HydrophobicContact CB-CG2 4.25Å; G222-V226 PolarHBondContact O-N 3.04Å; L223-V226 CarbonylContact O-C 3.51Å; L223-V226 PolarHBondContact O-N 3.05Å; V226-F260 HydrophobicContact CB-CE1 4.07Å; V226-F260 HydrophobicContact CB-CZ 4.48Å; V226-F260 HydrophobicContact CG1-CE1 3.97Å; V226-F260 HydrophobicContact CG1-CZ 3.96Å; V226-F260 HydrophobicContact CG2-CE1 3.89Å
227V64.8Low66.4Low5 Ų565.2 Ų65.23%0.0333%0.326CS..  trans-150.5135.8178.8-153.30000111.6I132 V174 Q175 L223 R224 L229I132-V227 HydrophobicContact CD1-CG1 4.39Å; V174-V227 HydrophobicContact CB-CG2 3.99Å; V174-V227 HydrophobicContact CG1-CG2 3.43Å; V174-V227 VanDerWaalsContact CG1-CG2 3.43Å; Q175-V227 HydrophobicContact CG-CG1 4.09Å; L223-V227 HydrophobicContact CD1-CG2 4.12Å; L223-V227 HydrophobicContact CG-CG2 4.16Å; L223-V227 WeakPolarHBondContact O-CB 3.34Å; L223-V227 WeakPolarHBondContact O-CG2 3.23Å; L223-V227 PolarHBondContact O-N 3.3Å; R224-V227 WeakPolarHBondContact CA-O 3.25Å; V227-L229 HydrophobicContact CB-CB 4.36Å; V227-L229 HydrophobicContact CG1-CB 3.67Å; V227-L229 PolarHBondContact O-N 3.44Å; V227-L229 VanDerWaalsContact O-N 3.13Å
228D63.4Low67.8Low104 Ų10455 Ų5556%0.55628%0.282SS*.SBendtrans-68.3-4.6169-62.5-55.2000113.5K129K129-D228 WeakPolarHBondContact CD-OD2 3.47Å; K129-D228 WeakPolarHBondContact CE-OD2 3.33Å; K129-D228 VanDerWaalsContact CG-OD2 3.23Å; K129-D228 WeakPolarHBondContact CG-OD2 3.4Å; K129-D228 IonicContact NZ-OD1 3.24Å; K129-D228 PolarHBondContact NZ-OD1 2.87Å; K129-D228 IonicContact NZ-OD2 2.66Å; K129-D228 PolarHBondContact NZ-OD2 3.32Å
229L65.7Low69.4Low15 Ų1552.1 Ų52.18%0.07926%0.258CS..SBendtrans-82.8127.4178.6-170.572.8000109.7I132 A178 V227 K233 M234 M237I132-L229 HydrophobicContact CG2-CD1 4.19Å; A178-L229 HydrophobicContact CB-CD2 3.81Å; V227-L229 HydrophobicContact CB-CB 4.36Å; V227-L229 HydrophobicContact CG1-CB 3.67Å; V227-L229 PolarHBondContact O-N 3.44Å; V227-L229 VanDerWaalsContact O-N 3.13Å; L229-K233 HydrophobicContact CD1-CB 3.75Å; L229-K233 HydrophobicContact CD1-CD 3.57Å; L229-K233 HydrophobicContact CD1-CG 4.33Å; L229-K233 HydrophobicContact CD2-CB 4.42Å; L229-K233 HydrophobicContact CG-CB 3.99Å; L229-K233 HydrophobicContact CG-CD 4.48Å; L229-M234 HydrophobicContact CD2-CB 3.98Å; L229-M234 HydrophobicContact CD2-CG 4.42Å; L229-M237 HydrophobicContact CD2-CE 3.99Å
230S70.3Confident70.7Confident52 Ų5249.6 Ų49.636%0.36425%0.249SC..  trans-62.5137.1173.153.60000110.8M232 K233 M234S230-M232 PolarHBondContact O-N 3.2Å; S230-M232 VanDerWaalsContact O-N 3.14Å; S230-K233 WeakPolarHBondContact O-CB 3.35Å; S230-K233 PolarHBondContact O-N 2.94Å; S230-K233 WeakPolarHBondContact OG-CG 3.38Å; S230-M234 PolarHBondContact O-N 2.96Å
231P73.3Confident71.9Confident23 Ų2347.5 Ų47.515%0.14924%0.239CC..Hα-helixtrans-53.3-40.2-178.7-24.831000112.6L223 K233 M234 L235 F263L223-P231 HydrophobicContact CB-CG 4.29Å; L223-P231 HydrophobicContact CD2-CB 3.87Å; L223-P231 HydrophobicContact CD2-CG 3.98Å; P231-K233 VanDerWaalsContact C-N 3.28Å; P231-K233 PolarHBondContact O-N 3.41Å; P231-M234 WeakPolarHBondContact O-CA 3.05Å; P231-M234 WeakPolarHBondContact O-CB 3.22Å; P231-M234 PolarHBondContact O-N 3.37Å; P231-L235 WeakPolarHBondContact O-CG 3.49Å; P231-L235 PolarHBondContact O-N 3.37Å; P231-F263 HydrophobicContact CB-CB 4.18Å; P231-F263 HydrophobicContact CG-CB 4.3Å
232M79.1Confident72.7Confident66 Ų6645 Ų4533%0.32523%0.229SC..Hα-helixtrans-57.2-30.4174.7-75.5-66.5-94.400115.1S230 S236 S268 K272S230-M232 PolarHBondContact O-N 3.2Å; S230-M232 VanDerWaalsContact O-N 3.14Å; M232-S236 VanDerWaalsContact O-CB 3.25Å; M232-S236 WeakPolarHBondContact O-CB 3.42Å; M232-S236 PolarHBondContact O-N 3.43Å; M232-S236 PolarHBondContact O-OG 3.48Å; M232-S268 WeakPolarHBondContact CE-O 3.26Å; M232-S268 WeakPolarHBondContact CG-OG 3.42Å; M232-S268 VanDerWaalsContact SD-C 3.56Å; M232-K272 HydrophobicContact CE-CB 4.23Å; M232-K272 HydrophobicContact SD-CB 3.69Å; M232-K272 HydrophobicContact SD-CG 4.15Å
233K78.8Confident73.4Confident125 Ų12550.2 Ų50.254%0.54325%0.252SS..Hα-helixtrans-71.6-40.4172.2-78.4176.1179.1-179.90111.4L229 S230 P231 S236 M237L229-K233 HydrophobicContact CD1-CB 3.75Å; L229-K233 HydrophobicContact CD1-CD 3.57Å; L229-K233 HydrophobicContact CD1-CG 4.33Å; L229-K233 HydrophobicContact CD2-CB 4.42Å; L229-K233 HydrophobicContact CG-CB 3.99Å; L229-K233 HydrophobicContact CG-CD 4.48Å; S230-K233 WeakPolarHBondContact O-CB 3.35Å; S230-K233 PolarHBondContact O-N 2.94Å; S230-K233 WeakPolarHBondContact OG-CG 3.38Å; P231-K233 VanDerWaalsContact C-N 3.28Å; P231-K233 PolarHBondContact O-N 3.41Å; K233-S236 PolarHBondContact O-N 3.48Å; K233-M237 WeakPolarHBondContact O-CG 3.27Å; K233-M237 PolarHBondContact O-N 2.89Å
234M76.7Confident73.8Confident5 Ų554.2 Ų54.23%0.02527%0.271CS..Hα-helixtrans-65.9-47.6177.3-159.8173.9-165.100111V174 L177 L223 L229 S230 P231 S236 M237 I238 L256V174-M234 HydrophobicContact CG1-CE 4.19Å; L177-M234 HydrophobicContact CB-CE 4.29Å; L177-M234 HydrophobicContact CD2-CE 3.78Å; L177-M234 HydrophobicContact CG-CE 3.82Å; L223-M234 HydrophobicContact CD2-SD 4.16Å; L229-M234 HydrophobicContact CD2-CB 3.98Å; L229-M234 HydrophobicContact CD2-CG 4.42Å; S230-M234 PolarHBondContact O-N 2.96Å; P231-M234 WeakPolarHBondContact O-CA 3.05Å; P231-M234 WeakPolarHBondContact O-CB 3.22Å; P231-M234 PolarHBondContact O-N 3.37Å; M234-S236 VanDerWaalsContact C-N 3.32Å; M234-S236 PolarHBondContact O-N 3.24Å; M234-M237 PolarHBondContact O-N 3.43Å; M234-I238 HydrophobicContact CG-CD1 4.39Å; M234-I238 WeakPolarHBondContact O-CG1 3.37Å; M234-I238 PolarHBondContact O-N 2.96Å; M234-L256 HydrophobicContact CE-CD1 3.86Å; M234-L256 HydrophobicContact CE-CD2 3.86Å; M234-L256 HydrophobicContact SD-CD1 4.08Å; M234-L256 HydrophobicContact SD-CD2 4.12Å
235L82Confident74.2Confident5 Ų547.9 Ų47.93%0.02625%0.249CC..Hα-helixtrans-61.9-36.9174.7-67170000112.2P231 I238 A239 L253 F263 K272 I273 I276P231-L235 WeakPolarHBondContact O-CG 3.49Å; P231-L235 PolarHBondContact O-N 3.37Å; L235-I238 HydrophobicContact CD2-CD1 4.39Å; L235-I238 PolarHBondContact O-N 3.33Å; L235-A239 WeakPolarHBondContact O-CB 3.47Å; L235-A239 PolarHBondContact O-N 2.8Å; L235-L253 HydrophobicContact CD2-CD1 3.96Å; L235-F263 HydrophobicContact CD1-CD2 4.49Å; L235-F263 HydrophobicContact CD2-CE2 4.45Å; L235-K272 HydrophobicContact CB-CB 4.42Å; L235-K272 HydrophobicContact CB-CG 3.88Å; L235-K272 HydrophobicContact CD1-CB 4.33Å; L235-I273 HydrophobicContact CD1-CG1 4.15Å; L235-I273 HydrophobicContact CD2-CG1 3.93Å; L235-I276 HydrophobicContact CB-CD1 4.14Å; L235-I276 HydrophobicContact CD2-CD1 4.01Å; L235-I276 WeakPolarHBondContact O-CD1 3.39Å
236S81.9Confident74.9Confident47 Ų4742.4 Ų42.433%0.32923%0.225SC..Hα-helixtrans-63.6-42.7173.1-62.30000112.3M232 K233 M234 A239 D240M232-S236 VanDerWaalsContact O-CB 3.25Å; M232-S236 WeakPolarHBondContact O-CB 3.42Å; M232-S236 PolarHBondContact O-N 3.43Å; M232-S236 PolarHBondContact O-OG 3.48Å; K233-S236 PolarHBondContact O-N 3.48Å; M234-S236 VanDerWaalsContact C-N 3.32Å; M234-S236 PolarHBondContact O-N 3.24Å; S236-A239 PolarHBondContact O-N 3.02Å; S236-D240 VanDerWaalsContact O-CG 3.26Å; S236-D240 PolarHBondContact O-N 3.47Å; S236-D240 VanDerWaalsContact O-OD2 3.1Å
237M78.3Confident75.6Confident26 Ų2642.8 Ų42.813%0.12823%0.229CC..Hα-helixtrans-64.8-41175.2-67.8-174.8-62.700111.9M181 A182 K185 L229 K233 M234 A239 D240 I241M181-M237 HydrophobicContact CB-CB 4.26Å; M181-M237 HydrophobicContact CB-CE 4.35Å; A182-M237 HydrophobicContact CB-SD 4.07Å; K185-M237 HydrophobicContact CD-CG 4.41Å; L229-M237 HydrophobicContact CD2-CE 3.99Å; K233-M237 WeakPolarHBondContact O-CG 3.27Å; K233-M237 PolarHBondContact O-N 2.89Å; M234-M237 PolarHBondContact O-N 3.43Å; M237-A239 VanDerWaalsContact C-N 3.33Å; M237-A239 PolarHBondContact O-N 2.7Å; M237-D240 PolarHBondContact O-N 3.42Å; M237-I241 WeakPolarHBondContact O-CD1 3.43Å; M237-I241 VanDerWaalsContact O-CG1 3.22Å; M237-I241 WeakPolarHBondContact O-CG1 3.5Å; M237-I241 PolarHBondContact O-N 3.39Å
238I80.4Confident76.3Confident1 Ų143 Ų431%0.00523%0.231CC..Hα-helixtrans-57.2-46.6173.2-70164.1000110.5M181 M234 L235 D240 I241 L242 V249 L253 L256 I276M181-I238 HydrophobicContact CE-CB 4.49Å; M181-I238 HydrophobicContact CE-CG1 3.71Å; M234-I238 HydrophobicContact CG-CD1 4.39Å; M234-I238 WeakPolarHBondContact O-CG1 3.37Å; M234-I238 PolarHBondContact O-N 2.96Å; L235-I238 HydrophobicContact CD2-CD1 4.39Å; L235-I238 PolarHBondContact O-N 3.33Å; I238-D240 PolarHBondContact O-N 3.41Å; I238-I241 PolarHBondContact O-N 3.45Å; I238-L242 PolarHBondContact O-N 3.06Å; I238-L242 VanDerWaalsContact O-N 3.07Å; I238-V249 HydrophobicContact CG2-CG1 3.74Å; I238-L253 HydrophobicContact CD1-CD1 4.44Å; I238-L256 HydrophobicContact CD1-CD1 3.77Å; I238-I276 HydrophobicContact CB-CD1 4.36Å; I238-I276 HydrophobicContact CG2-CD1 3.99Å; I238-I276 HydrophobicContact CG2-CG2 4.12Å
239A81.2Confident77.2Confident24 Ų2438.1 Ų38.120%0.19821%0.205CC..Hα-helixtrans-61.6-40.317800000113.3L235 S236 M237 I241 I276L235-A239 WeakPolarHBondContact O-CB 3.47Å; L235-A239 PolarHBondContact O-N 2.8Å; S236-A239 PolarHBondContact O-N 3.02Å; M237-A239 VanDerWaalsContact C-N 3.33Å; M237-A239 PolarHBondContact O-N 2.7Å; A239-I241 VanDerWaalsContact C-N 3.31Å; A239-I241 PolarHBondContact O-N 2.69Å; A239-I276 HydrophobicContact CB-CD1 4.29Å; A239-I276 HydrophobicContact CB-CG1 3.78Å
240D79.8Confident78Confident81 Ų8137.4 Ų37.443%0.43320%0.201SC..Hα-helixtrans-66.4-29.9179.3-68-45.2000113.1K185 S236 M237 I238K185-D240 HydrophobicContact CD-CB 4.28Å; K185-D240 VanDerWaalsContact CE-OD2 3.27Å; K185-D240 WeakPolarHBondContact CE-OD2 3.24Å; K185-D240 IonicContact NZ-OD2 2.67Å; K185-D240 PolarHBondContact NZ-OD2 3.3Å; S236-D240 VanDerWaalsContact O-CG 3.26Å; S236-D240 PolarHBondContact O-N 3.47Å; S236-D240 VanDerWaalsContact O-OD2 3.1Å; M237-D240 PolarHBondContact O-N 3.42Å; I238-D240 PolarHBondContact O-N 3.41Å
241I78.7Confident78.5Confident1 Ų135 Ų351%0.00518%0.184CC..Hα-helixtrans-92.6-27.7-174.3-59.8159.4000111.7M181 A184 M192 L195 M237 I238 A239 L243 Q244 V249M181-I241 HydrophobicContact CB-CD1 4.24Å; M181-I241 HydrophobicContact CE-CD1 3.68Å; M181-I241 WeakPolarHBondContact O-CD1 3.49Å; M181-I241 HydrophobicContact SD-CD1 4.07Å; A184-I241 HydrophobicContact CB-CD1 3.65Å; A184-I241 HydrophobicContact CB-CG1 4.27Å; M192-I241 HydrophobicContact CE-CG2 3.44Å; M192-I241 VanDerWaalsContact CE-CG2 3.44Å; M192-I241 HydrophobicContact SD-CG2 4.36Å; L195-I241 HydrophobicContact CD1-CG2 4.39Å; M237-I241 WeakPolarHBondContact O-CD1 3.43Å; M237-I241 VanDerWaalsContact O-CG1 3.22Å; M237-I241 WeakPolarHBondContact O-CG1 3.5Å; M237-I241 PolarHBondContact O-N 3.39Å; I238-I241 PolarHBondContact O-N 3.45Å; A239-I241 VanDerWaalsContact C-N 3.31Å; A239-I241 PolarHBondContact O-N 2.69Å; I241-L243 VanDerWaalsContact C-N 3.32Å; I241-L243 PolarHBondContact O-N 2.52Å; I241-L243 VanDerWaalsContact O-N 3.14Å; I241-Q244 PolarHBondContact O-N 3.37Å; I241-Q244 VanDerWaalsContact O-N 3.08Å; I241-V249 HydrophobicContact CB-CG2 4.36Å; I241-V249 HydrophobicContact CG2-CG2 3.7Å
242L79.5Confident78.9Confident3 Ų333.9 Ų33.92%0.01618%0.177CC..Hα-helixtrans-45.2-48-173-175.775.3000114.6I238 Q244 K245 P246 V249 L250 I276 C279 A280I238-L242 PolarHBondContact O-N 3.06Å; I238-L242 VanDerWaalsContact O-N 3.07Å; L242-Q244 PolarHBondContact O-N 2.86Å; L242-Q244 VanDerWaalsContact O-N 3.15Å; L242-K245 CarbonylContact O-C 3.51Å; L242-P246 HydrophobicContact CD1-CB 4.26Å; L242-P246 VanDerWaalsContact O-CA 3.26Å; L242-P246 WeakPolarHBondContact O-CA 3.37Å; L242-P246 WeakPolarHBondContact O-CB 3.2Å; L242-V249 HydrophobicContact CB-CG1 4.41Å; L242-V249 HydrophobicContact CD1-CB 4.46Å; L242-V249 HydrophobicContact CD1-CG1 4.03Å; L242-L250 HydrophobicContact CD1-CD2 4.13Å; L242-L250 HydrophobicContact CD1-CG 4.09Å; L242-I276 HydrophobicContact CD1-CG2 4.25Å; L242-I276 HydrophobicContact CD2-CG2 4.14Å; L242-I276 WeakPolarHBondContact CD2-O 3.26Å; L242-C279 HydrophobicContact CD2-CB 3.68Å; L242-A280 HydrophobicContact CD1-CB 4.1Å; L242-A280 HydrophobicContact CD2-CB 4.08Å
243L74.1Confident79.2Confident122 Ų12230.8 Ų30.864%0.63916%0.162SC*.THydrogen-bonded Turntrans-66.2-15.9-173.7-71.2173.2000114.6I241I241-L243 VanDerWaalsContact C-N 3.32Å; I241-L243 PolarHBondContact O-N 2.52Å; I241-L243 VanDerWaalsContact O-N 3.14Å
244Q74Confident79.4Confident94 Ų9425.7 Ų25.744%0.43914%0.139SC..THydrogen-bonded Turntrans-95.2-33.3-174.4-66.5170.65.200112.8M192 I241 L242M192-Q244 HydrophobicContact CE-CB 3.31Å; M192-Q244 HydrophobicContact CE-CG 4.47Å; I241-Q244 PolarHBondContact O-N 3.37Å; I241-Q244 VanDerWaalsContact O-N 3.08Å; L242-Q244 PolarHBondContact O-N 2.86Å; L242-Q244 VanDerWaalsContact O-N 3.15Å
245K71.7Confident79.7Confident73 Ų7325.5 Ų25.532%0.31714%0.138SC..  trans-154.692.2168.2-76.1-159.5174.7-173.10109.4M192 L242 G247 V249M192-K245 HydrophobicContact CB-CD 4.06Å; M192-K245 HydrophobicContact CB-CG 4.39Å; M192-K245 HydrophobicContact CE-CB 3.68Å; M192-K245 HydrophobicContact CE-CG 4.1Å; M192-K245 HydrophobicContact CG-CD 4.5Å; M192-K245 HydrophobicContact CG-CG 4.38Å; M192-K245 VanDerWaalsContact O-CD 3.29Å; M192-K245 WeakPolarHBondContact O-CD 3.39Å; M192-K245 VanDerWaalsContact O-CE 3.3Å; M192-K245 WeakPolarHBondContact O-CE 3.01Å; M192-K245 PolarHBondContact O-NZ 2.96Å; M192-K245 HydrophobicContact SD-CB 3.69Å; M192-K245 HydrophobicContact SD-CD 4Å; M192-K245 HydrophobicContact SD-CG 3.83Å; L242-K245 CarbonylContact O-C 3.51Å; K245-G247 PolarHBondContact O-N 3.21Å; K245-V249 VanDerWaalsContact O-CG2 3.24Å; K245-V249 WeakPolarHBondContact O-CG2 3.48Å
246P76.4Confident79.5Confident18 Ų1825.4 Ų25.412%0.11714%0.138CC..Hα-helixtrans-69.6-37.4-171.326.8-36000113L242 V249 L250 T283 P305L242-P246 HydrophobicContact CD1-CB 4.26Å; L242-P246 VanDerWaalsContact O-CA 3.26Å; L242-P246 WeakPolarHBondContact O-CA 3.37Å; L242-P246 WeakPolarHBondContact O-CB 3.2Å; P246-V249 PolarHBondContact O-N 2.87Å; P246-L250 HydrophobicContact CB-CD1 4.21Å; P246-L250 WeakPolarHBondContact O-CB 3.46Å; P246-L250 WeakPolarHBondContact O-CD1 3.05Å; P246-L250 WeakPolarHBondContact O-CG 3.46Å; P246-L250 PolarHBondContact O-N 2.94Å; P246-T283 HydrophobicContact CG-CG2 4.1Å; P246-P305 HydrophobicContact CB-CB 3.58Å; P246-P305 HydrophobicContact CB-CG 4.3Å; P246-P305 HydrophobicContact CG-CB 3.55Å; P246-P305 HydrophobicContact CG-CG 3.74Å
247G78.2Confident79.4Confident9 Ų923.2 Ų23.29%0.09312%0.123CC..Hα-helixtrans-52.2-65.4-176.300000114.9K245 V249 L250 V251K245-G247 PolarHBondContact O-N 3.21Å; G247-V249 VanDerWaalsContact C-N 3.27Å; G247-V249 PolarHBondContact O-N 3.48Å; G247-L250 WeakPolarHBondContact O-CB 3.33Å; G247-L250 PolarHBondContact O-N 2.86Å; G247-L250 VanDerWaalsContact O-N 3.14Å; G247-V251 PolarHBondContact O-N 3.5Å
248P78.3Confident79.3Confident9 Ų923.5 Ų23.56%0.05813%0.127CC..Hα-helixtrans-60.7-32.4179.7-25.935.6000114.1L195 V251 I252L195-P248 HydrophobicContact CB-CB 4.1Å; P248-V251 PolarHBondContact O-N 3.39Å; P248-I252 WeakPolarHBondContact O-CG1 3.35Å; P248-I252 PolarHBondContact O-N 3.26Å
249V81.9Confident79.1Confident1 Ų123.9 Ų23.91%0.00613%0.129CC..Hα-helixtrans-68-40177176.40000111I238 I241 L242 K245 P246 G247 I252 L253I238-V249 HydrophobicContact CG2-CG1 3.74Å; I241-V249 HydrophobicContact CB-CG2 4.36Å; I241-V249 HydrophobicContact CG2-CG2 3.7Å; L242-V249 HydrophobicContact CB-CG1 4.41Å; L242-V249 HydrophobicContact CD1-CB 4.46Å; L242-V249 HydrophobicContact CD1-CG1 4.03Å; K245-V249 VanDerWaalsContact O-CG2 3.24Å; K245-V249 WeakPolarHBondContact O-CG2 3.48Å; P246-V249 PolarHBondContact O-N 2.87Å; G247-V249 VanDerWaalsContact C-N 3.27Å; G247-V249 PolarHBondContact O-N 3.48Å; V249-I252 PolarHBondContact O-N 3.02Å; V249-L253 PolarHBondContact O-N 3.29Å
250L83.2Confident78.9Confident1 Ų122.8 Ų22.81%0.00512%0.12CC..Hα-helixtrans-68.4-40.6174-70.9164.5000111.6L242 P246 G247 I252 L253 K254 L277 A280 P305 L308 I312L242-L250 HydrophobicContact CD1-CD2 4.13Å; L242-L250 HydrophobicContact CD1-CG 4.09Å; P246-L250 HydrophobicContact CB-CD1 4.21Å; P246-L250 WeakPolarHBondContact O-CB 3.46Å; P246-L250 WeakPolarHBondContact O-CD1 3.05Å; P246-L250 WeakPolarHBondContact O-CG 3.46Å; P246-L250 PolarHBondContact O-N 2.94Å; G247-L250 WeakPolarHBondContact O-CB 3.33Å; G247-L250 PolarHBondContact O-N 2.86Å; G247-L250 VanDerWaalsContact O-N 3.14Å; L250-I252 VanDerWaalsContact C-N 3.3Å; L250-I252 PolarHBondContact O-N 2.74Å; L250-L253 CarbonylContact O-C 3.5Å; L250-L253 WeakPolarHBondContact O-CA 3.3Å; L250-L253 WeakPolarHBondContact O-CB 3.31Å; L250-L253 PolarHBondContact O-N 2.97Å; L250-L253 VanDerWaalsContact O-N 3.08Å; L250-K254 WeakPolarHBondContact O-CB 3.36Å; L250-K254 PolarHBondContact O-N 3.23Å; L250-L277 HydrophobicContact CD2-CD2 4.11Å; L250-A280 HydrophobicContact CD1-CB 4.06Å; L250-A280 HydrophobicContact CD2-CB 3.77Å; L250-A280 HydrophobicContact CG-CB 4.38Å; L250-P305 HydrophobicContact CD1-CB 3.72Å; L250-P305 WeakPolarHBondContact CD1-O 3.49Å; L250-L308 HydrophobicContact CB-CB 4.1Å; L250-L308 HydrophobicContact CD1-CB 4.03Å; L250-I312 HydrophobicContact CB-CD1 3.91Å; L250-I312 HydrophobicContact CD2-CD1 3.77Å; L250-I312 HydrophobicContact CG-CD1 4.46Å; L250-I312 VanDerWaalsContact O-CD1 3.25Å; L250-I312 WeakPolarHBondContact O-CD1 3.37Å
251V82Confident78.6Confident1 Ų120.3 Ų20.31%0.00611%0.108CC..Hα-helixtrans-60-42.4173.4178.60000110.5I203 G247 P248 L253 K254 Q255 L308I203-V251 HydrophobicContact CD1-CG1 4.48Å; I203-V251 HydrophobicContact CG1-CG1 4.46Å; G247-V251 PolarHBondContact O-N 3.5Å; P248-V251 PolarHBondContact O-N 3.39Å; V251-L253 VanDerWaalsContact C-N 3.31Å; V251-L253 PolarHBondContact O-N 3.43Å; V251-K254 WeakPolarHBondContact O-CB 3.21Å; V251-K254 PolarHBondContact O-N 3.17Å; V251-Q255 HydrophobicContact CG1-CG 4.4Å; V251-Q255 WeakPolarHBondContact O-CB 3.48Å; V251-Q255 VanDerWaalsContact O-CG 3.25Å; V251-Q255 WeakPolarHBondContact O-CG 3.45Å; V251-Q255 PolarHBondContact O-N 3.27Å; V251-L308 HydrophobicContact CG2-CD1 4.32Å; V251-L308 HydrophobicContact CG2-CD2 4.28Å
252I81.6Confident78.1Confident0 Ų021.1 Ų21.10%012%0.115CC..Hα-helixtrans-60.4-39.2173.7-71.2166.5000111.8L177 M181 L195 L202 P248 V249 L250 Q255 L256L177-I252 HydrophobicContact CD1-CD1 4.38Å; L177-I252 HydrophobicContact CD1-CG2 4.24Å; L177-I252 HydrophobicContact CD2-CG2 4.2Å; M181-I252 HydrophobicContact SD-CD1 4.32Å; L195-I252 HydrophobicContact CD2-CD1 3.35Å; L202-I252 HydrophobicContact CD2-CG1 4.25Å; L202-I252 HydrophobicContact CD2-CG2 4.44Å; P248-I252 WeakPolarHBondContact O-CG1 3.35Å; P248-I252 PolarHBondContact O-N 3.26Å; V249-I252 PolarHBondContact O-N 3.02Å; L250-I252 VanDerWaalsContact C-N 3.3Å; L250-I252 PolarHBondContact O-N 2.74Å; I252-Q255 PolarHBondContact O-N 3.47Å; I252-L256 HydrophobicContact CG2-CD1 3.92Å; I252-L256 WeakPolarHBondContact O-CG 3.39Å; I252-L256 PolarHBondContact O-N 3.21Å
253L84.1Confident77.8Confident1 Ų121.5 Ų21.51%0.00512%0.117CC..Hα-helixtrans-67.4-43.8174.8-176.563.7000112.5L235 I238 V249 L250 V251 Q255 L256 V257 I273 I276 L277 I312L235-L253 HydrophobicContact CD2-CD1 3.96Å; I238-L253 HydrophobicContact CD1-CD1 4.44Å; V249-L253 PolarHBondContact O-N 3.29Å; L250-L253 CarbonylContact O-C 3.5Å; L250-L253 WeakPolarHBondContact O-CA 3.3Å; L250-L253 WeakPolarHBondContact O-CB 3.31Å; L250-L253 PolarHBondContact O-N 2.97Å; L250-L253 VanDerWaalsContact O-N 3.08Å; V251-L253 VanDerWaalsContact C-N 3.31Å; V251-L253 PolarHBondContact O-N 3.43Å; L253-Q255 PolarHBondContact O-N 3.41Å; L253-L256 PolarHBondContact O-N 2.8Å; L253-V257 HydrophobicContact CD1-CG2 4.45Å; L253-V257 WeakPolarHBondContact O-CB 3.38Å; L253-V257 WeakPolarHBondContact O-CG2 3.5Å; L253-V257 PolarHBondContact O-N 3Å; L253-I273 HydrophobicContact CD2-CG2 4.47Å; L253-I276 HydrophobicContact CD2-CG2 3.82Å; L253-L277 HydrophobicContact CD2-CD2 4.13Å; L253-I312 HydrophobicContact CB-CD1 4.28Å; L253-I312 HydrophobicContact CD2-CD1 4.3Å; L253-I312 HydrophobicContact CD2-CG2 4.45Å; L253-I312 HydrophobicContact CG-CD1 4.41Å; L253-I312 HydrophobicContact CG-CG2 4.39Å
254K83.8Confident77.7Confident17 Ų1715.8 Ų15.87%0.0749%0.087CC..Hα-helixtrans-54.1-38.2173.5-169.9176.4174.8176.90111.3L250 V251 S258 E300 D311 I312 K315L250-K254 WeakPolarHBondContact O-CB 3.36Å; L250-K254 PolarHBondContact O-N 3.23Å; V251-K254 WeakPolarHBondContact O-CB 3.21Å; V251-K254 PolarHBondContact O-N 3.17Å; K254-S258 PolarHBondContact O-N 3.27Å; K254-E300 IonicContact NZ-OE1 3.7Å; K254-E300 PolarHBondContact NZ-OE1 3.4Å; K254-E300 IonicContact NZ-OE2 3.67Å; K254-E300 PolarHBondContact NZ-OE2 2.88Å; K254-D311 HydrophobicContact CD-CB 4.39Å; K254-D311 IonicContact NZ-OD2 2.83Å; K254-D311 PolarHBondContact NZ-OD2 2.94Å; K254-I312 HydrophobicContact CB-CD1 4.13Å; K254-I312 HydrophobicContact CB-CG1 3.6Å; K254-I312 HydrophobicContact CG-CG1 4.01Å; K254-K315 HydrophobicContact CG-CD 4.19Å
255Q81.7Confident77.4Confident1 Ų114 Ų141%0.0058%0.079CC..Hα-helixtrans-77.7-44.2179-69.9-56.3-19.900113.3L202 E206 V251 I252 L253 V257 S258 M259L202-Q255 HydrophobicContact CB-CG 4.37Å; L202-Q255 HydrophobicContact CD2-CB 3.63Å; L202-Q255 HydrophobicContact CD2-CG 4.2Å; L202-Q255 HydrophobicContact CG-CB 3.73Å; L202-Q255 HydrophobicContact CG-CG 4Å; E206-Q255 PolarHBondContact OE2-NE2 3.27Å; E206-Q255 PolarHBondContact OE2-OE1 3.22Å; V251-Q255 HydrophobicContact CG1-CG 4.4Å; V251-Q255 WeakPolarHBondContact O-CB 3.48Å; V251-Q255 VanDerWaalsContact O-CG 3.25Å; V251-Q255 WeakPolarHBondContact O-CG 3.45Å; V251-Q255 PolarHBondContact O-N 3.27Å; I252-Q255 PolarHBondContact O-N 3.47Å; L253-Q255 PolarHBondContact O-N 3.41Å; Q255-V257 PolarHBondContact O-N 2.88Å; Q255-S258 PolarHBondContact O-N 3.24Å; Q255-M259 HydrophobicContact CB-CE 4.39Å; Q255-M259 WeakPolarHBondContact O-CG 3.44Å; Q255-M259 PolarHBondContact O-N 3.18Å
256L79.5Confident77.6Confident4 Ų413.6 Ų13.62%0.0218%0.08CC..Hα-helixtrans-59.3-47.3174.8-73.5164.9000111.7L177 M234 I238 I252 L253 S258 M259 F260 F263L177-L256 HydrophobicContact CD2-CD2 4.08Å; L177-L256 HydrophobicContact CD2-CG 4.42Å; M234-L256 HydrophobicContact CE-CD1 3.86Å; M234-L256 HydrophobicContact CE-CD2 3.86Å; M234-L256 HydrophobicContact SD-CD1 4.08Å; M234-L256 HydrophobicContact SD-CD2 4.12Å; I238-L256 HydrophobicContact CD1-CD1 3.77Å; I252-L256 HydrophobicContact CG2-CD1 3.92Å; I252-L256 WeakPolarHBondContact O-CG 3.39Å; I252-L256 PolarHBondContact O-N 3.21Å; L253-L256 PolarHBondContact O-N 2.8Å; L256-S258 PolarHBondContact O-N 2.89Å; L256-M259 HydrophobicContact CD2-CE 4.14Å; L256-M259 PolarHBondContact O-N 2.99Å; L256-F260 HydrophobicContact CD2-CD2 4.34Å; L256-F260 HydrophobicContact CD2-CE2 4.47Å; L256-F260 PolarHBondContact O-N 3.3Å; L256-F263 HydrophobicContact CB-CE1 4.35Å; L256-F263 HydrophobicContact CB-CZ 4.31Å; L256-F263 WeakPolarHBondContact O-CE1 3.32Å
257V79.1Confident77.5Confident1 Ų116.7 Ų16.71%0.0069%0.093CC..Hα-helixtrans-52.6-38.9175.3161.40000112L253 Q255 F263 I264 I312 K315L253-V257 HydrophobicContact CD1-CG2 4.45Å; L253-V257 WeakPolarHBondContact O-CB 3.38Å; L253-V257 WeakPolarHBondContact O-CG2 3.5Å; L253-V257 PolarHBondContact O-N 3Å; Q255-V257 PolarHBondContact O-N 2.88Å; V257-F263 HydrophobicContact CB-CZ 4.44Å; V257-F263 HydrophobicContact CG2-CE2 4.41Å; V257-F263 HydrophobicContact CG2-CZ 3.81Å; V257-I264 HydrophobicContact CG1-CD1 4.19Å; V257-I312 HydrophobicContact CG2-CG2 4.33Å; V257-K315 HydrophobicContact CG1-CB 4.19Å
258S76.8Confident77.6Confident31 Ų3118.8 Ų18.822%0.21711%0.107CC..Hα-helixtrans-77.1-43.2-178.9-158.80000113.3E206 Q210 K254 Q255 L256 K315E206-S258 WeakPolarHBondContact OE1-CB 3.36Å; E206-S258 PolarHBondContact OE1-OG 3.09Å; Q210-S258 PolarHBondContact NE2-OG 2.85Å; K254-S258 PolarHBondContact O-N 3.27Å; Q255-S258 PolarHBondContact O-N 3.24Å; L256-S258 PolarHBondContact O-N 2.89Å; S258-K315 PolarHBondContact OG-NZ 3.35Å
259M75.5Confident77.7Confident9 Ų918.4 Ų18.44%0.04410%0.104CC..Hα-helixtrans-72.1-32.6-179.7-67.3-176.2-70.800113.2L170 L202 V205 L209 Q255 L256L170-M259 HydrophobicContact CD1-SD 4.37Å; L202-M259 HydrophobicContact CD1-CE 3.77Å; L202-M259 HydrophobicContact CD1-SD 4.2Å; L202-M259 HydrophobicContact CD2-CE 4.36Å; L202-M259 HydrophobicContact CG-CE 4.24Å; V205-M259 HydrophobicContact CG1-SD 3.96Å; L209-M259 HydrophobicContact CD2-CB 4.03Å; L209-M259 HydrophobicContact CD2-CG 3.88Å; Q255-M259 HydrophobicContact CB-CE 4.39Å; Q255-M259 WeakPolarHBondContact O-CG 3.44Å; Q255-M259 PolarHBondContact O-N 3.18Å; L256-M259 HydrophobicContact CD2-CE 4.14Å; L256-M259 PolarHBondContact O-N 2.99Å
260F77.5Confident77.7Confident1 Ų118.3 Ų18.30%0.00410%0.103CC..  trans-131.366.8-173.9-53.9-68.2000113.2L170 V174 F221 L223 V226 L256 A262 F263L170-F260 HydrophobicContact CD1-CZ 4.2Å; L170-F260 HydrophobicContact CD2-CE1 3.93Å; L170-F260 HydrophobicContact CD2-CZ 3.92Å; L170-F260 HydrophobicContact CG-CE1 4.48Å; L170-F260 HydrophobicContact CG-CZ 4.02Å; V174-F260 HydrophobicContact CG2-CE2 3.65Å; V174-F260 HydrophobicContact CG2-CZ 3.71Å; F221-F260 HydrophobicContact CB-CD1 4.37Å; L223-F260 HydrophobicContact CD1-CB 4.38Å; L223-F260 HydrophobicContact CD1-CD2 3.5Å; L223-F260 HydrophobicContact CD1-CE2 3.91Å; L223-F260 HydrophobicContact CD1-CG 3.86Å; V226-F260 HydrophobicContact CB-CE1 4.07Å; V226-F260 HydrophobicContact CB-CZ 4.48Å; V226-F260 HydrophobicContact CG1-CE1 3.97Å; V226-F260 HydrophobicContact CG1-CZ 3.96Å; V226-F260 HydrophobicContact CG2-CE1 3.89Å; L256-F260 HydrophobicContact CD2-CD2 4.34Å; L256-F260 HydrophobicContact CD2-CE2 4.47Å; L256-F260 PolarHBondContact O-N 3.3Å; F260-A262 PolarHBondContact O-N 3.41Å; F260-F263 HydrophobicContact CB-CD1 3.81Å; F260-F263 HydrophobicContact CB-CE1 4.04Å; F260-F263 WeakPolarHBondContact O-CD1 3.44Å; F260-F263 VanDerWaalsContact O-CE1 3.25Å; F260-F263 WeakPolarHBondContact O-CE1 3.46Å; F260-F263 PolarHBondContact O-N 2.98Å
261P72.4Confident77.7Confident29 Ų2921.1 Ų21.119%0.18812%0.12CC..G310 helixtrans-48.8-24.1176.8-31.738.5000114.9F220 F263 I264 T319 Y323F220-P261 HydrophobicContact CD1-CB 3.98Å; F220-P261 HydrophobicContact CE1-CB 3.88Å; P261-F263 PolarHBondContact O-N 3.29Å; P261-I264 WeakPolarHBondContact O-CB 3.41Å; P261-I264 PolarHBondContact O-N 3.46Å; P261-T319 HydrophobicContact CB-CG2 3.79Å; P261-Y323 HydrophobicContact CB-CE2 4.13Å
262A69.9Low77.8Confident19 Ų1922.7 Ų22.716%0.15713%0.127CC..G310 helixtrans-62.5-31.8-177.100000115.6F220 F221 F260 I264 M265F220-A262 HydrophobicContact CB-CB 4.07Å; F220-A262 HydrophobicContact CD1-CB 3.92Å; F220-A262 HydrophobicContact CG-CB 4.48Å; F221-A262 WeakPolarHBondContact O-CB 3.28Å; F260-A262 PolarHBondContact O-N 3.41Å; A262-I264 PolarHBondContact O-N 3.2Å; A262-M265 VanDerWaalsContact O-CB 3.25Å; A262-M265 WeakPolarHBondContact O-CB 3.3Å; A262-M265 WeakPolarHBondContact O-CG 3.28Å; A262-M265 PolarHBondContact O-N 3.39Å; A262-M265 VanDerWaalsContact O-N 3.09Å
263F73.3Confident77.9Confident11 Ų1122.7 Ų22.75%0.04813%0.127CC..G310 helixtrans-75.2-10.2-178.372.8-93.9000113.2L223 P231 L235 L256 V257 F260 P261 S269 I273L223-F263 HydrophobicContact CB-CB 4.48Å; P231-F263 HydrophobicContact CB-CB 4.18Å; P231-F263 HydrophobicContact CG-CB 4.3Å; L235-F263 HydrophobicContact CD1-CD2 4.49Å; L235-F263 HydrophobicContact CD2-CE2 4.45Å; L256-F263 HydrophobicContact CB-CE1 4.35Å; L256-F263 HydrophobicContact CB-CZ 4.31Å; L256-F263 WeakPolarHBondContact O-CE1 3.32Å; V257-F263 HydrophobicContact CB-CZ 4.44Å; V257-F263 HydrophobicContact CG2-CE2 4.41Å; V257-F263 HydrophobicContact CG2-CZ 3.81Å; F260-F263 HydrophobicContact CB-CD1 3.81Å; F260-F263 HydrophobicContact CB-CE1 4.04Å; F260-F263 WeakPolarHBondContact O-CD1 3.44Å; F260-F263 VanDerWaalsContact O-CE1 3.25Å; F260-F263 WeakPolarHBondContact O-CE1 3.46Å; F260-F263 PolarHBondContact O-N 2.98Å; P261-F263 PolarHBondContact O-N 3.29Å; F263-S269 VanDerWaalsContact O-CB 3.26Å; F263-S269 WeakPolarHBondContact O-CB 3.47Å; F263-I273 HydrophobicContact CD2-CD1 3.9Å; F263-I273 HydrophobicContact CE2-CD1 3.46Å; F263-I273 VanDerWaalsContact CE2-CD1 3.46Å; F263-I273 HydrophobicContact CE2-CG1 4.06Å
264I71.8Confident77.9Confident2 Ų223.4 Ų23.41%0.0113%0.131CC..G310 helixtrans-72.9-21.9170.7-57.3168000110.3V257 P261 A262 D266 L270 I273 L316 T319 L320 F327V257-I264 HydrophobicContact CG1-CD1 4.19Å; P261-I264 WeakPolarHBondContact O-CB 3.41Å; P261-I264 PolarHBondContact O-N 3.46Å; A262-I264 PolarHBondContact O-N 3.2Å; I264-D266 PolarHBondContact O-N 3.35Å; I264-L270 HydrophobicContact CG2-CD1 4.3Å; I264-L270 HydrophobicContact CG2-CD2 4.44Å; I264-I273 HydrophobicContact CG1-CD1 4.29Å; I264-L316 HydrophobicContact CD1-CG 4.3Å; I264-L316 HydrophobicContact CG2-CG 4.39Å; I264-T319 HydrophobicContact CD1-CG2 3.76Å; I264-L320 HydrophobicContact CG2-CD2 3.64Å; I264-L320 HydrophobicContact CG2-CG 4Å; I264-F327 WeakPolarHBondContact O-CZ 3.39Å
265M67.4Low77.9Confident56 Ų5627 Ų2728%0.27615%0.148SC..G310 helixtrans-71.9-11.8177.9-51.7-54.5-51.700114.2F220 A262 K326 F327F220-M265 HydrophobicContact CE1-CG 4.24Å; F220-M265 HydrophobicContact CE1-SD 4.19Å; F220-M265 HydrophobicContact CZ-SD 4.18Å; A262-M265 VanDerWaalsContact O-CB 3.25Å; A262-M265 WeakPolarHBondContact O-CB 3.3Å; A262-M265 WeakPolarHBondContact O-CG 3.28Å; A262-M265 PolarHBondContact O-N 3.39Å; A262-M265 VanDerWaalsContact O-N 3.09Å; M265-K326 HydrophobicContact CE-CB 3.6Å; M265-K326 HydrophobicContact CE-CD 4.17Å; M265-K326 HydrophobicContact CE-CG 4.49Å; M265-F327 HydrophobicContact CE-CD2 3.76Å; M265-F327 HydrophobicContact CE-CE1 4.14Å; M265-F327 HydrophobicContact CE-CE2 3.26Å; M265-F327 HydrophobicContact CE-CG 4.41Å; M265-F327 HydrophobicContact CE-CZ 3.5Å; M265-F327 VanDerWaalsContact CE-CZ 3.5Å; M265-F327 HydrophobicContact SD-CE2 3.63Å; M265-F327 HydrophobicContact SD-CZ 3.68Å
266D74.3Confident78Confident64 Ų6427.1 Ų27.134%0.34215%0.148SC..SBendtrans-95.4117.9173.1165.140000110.2I264 S268 S269 L270I264-D266 PolarHBondContact O-N 3.35Å; D266-S268 PolarHBondContact O-N 2.72Å; D266-S268 VanDerWaalsContact O-N 3.17Å; D266-S268 PolarHBondContact OD1-N 3.03Å; D266-S268 PolarHBondContact OD1-OG 3.26Å; D266-S268 PolarHBondContact OD2-OG 2.95Å; D266-S269 PolarHBondContact O-N 3.18Å; D266-S269 VanDerWaalsContact O-N 3.15Å; D266-S269 VanDerWaalsContact OD2-CB 3.23Å; D266-S269 WeakPolarHBondContact OD2-CB 3.41Å; D266-S269 PolarHBondContact OD2-N 3.05Å; D266-S269 PolarHBondContact OD2-OG 3.1Å; D266-L270 WeakPolarHBondContact O-CB 3.26Å; D266-L270 PolarHBondContact O-N 2.99Å
267E75Confident78.3Confident84 Ų8426.9 Ų26.939%0.39315%0.147SC..Hα-helixtrans-52.8-37.6176.8-176.8-179.1178.900111.7V271 R332 L333E267-V271 HydrophobicContact CG-CG2 4.33Å; E267-V271 WeakPolarHBondContact O-CB 3.45Å; E267-V271 VanDerWaalsContact O-CG2 3.26Å; E267-V271 WeakPolarHBondContact O-CG2 3.44Å; E267-V271 PolarHBondContact O-N 2.99Å; E267-R332 IonicContact OE1-CZ 2.66Å; E267-R332 IonicContact OE1-NH1 3.2Å; E267-R332 PolarHBondContact OE1-NH1 3.33Å; E267-R332 IonicContact OE1-NH2 2.74Å; E267-R332 PolarHBondContact OE1-NH2 3.14Å; E267-R332 IonicContact OE2-NH1 2.85Å; E267-L333 HydrophobicContact CG-CD2 4.34Å
268S81.5Confident78.5Confident53 Ų5328.2 Ų28.237%0.37115%0.154SC..Hα-helixtrans-67.7-43-177.992.30000111.9M232 D266 K272M232-S268 WeakPolarHBondContact CE-O 3.26Å; M232-S268 WeakPolarHBondContact CG-OG 3.42Å; M232-S268 VanDerWaalsContact SD-C 3.56Å; D266-S268 PolarHBondContact O-N 2.72Å; D266-S268 VanDerWaalsContact O-N 3.17Å; D266-S268 PolarHBondContact OD1-N 3.03Å; D266-S268 PolarHBondContact OD1-OG 3.26Å; D266-S268 PolarHBondContact OD2-OG 2.95Å; S268-K272 PolarHBondContact O-N 2.86Å
269S80.6Confident78.7Confident0 Ų029.3 Ų29.30%016%0.161CC..Hα-helixtrans-68.4-45.2175.9-63.70000111.3F263 D266 V271 K272 I273F263-S269 VanDerWaalsContact O-CB 3.26Å; F263-S269 WeakPolarHBondContact O-CB 3.47Å; D266-S269 PolarHBondContact O-N 3.18Å; D266-S269 VanDerWaalsContact O-N 3.15Å; D266-S269 VanDerWaalsContact OD2-CB 3.23Å; D266-S269 WeakPolarHBondContact OD2-CB 3.41Å; D266-S269 PolarHBondContact OD2-N 3.05Å; D266-S269 PolarHBondContact OD2-OG 3.1Å; S269-V271 PolarHBondContact O-N 2.87Å; S269-K272 CarbonylContact O-C 3.56Å; S269-K272 PolarHBondContact O-N 2.96Å; S269-K272 VanDerWaalsContact O-N 3.08Å; S269-I273 WeakPolarHBondContact O-CG1 3.44Å; S269-I273 PolarHBondContact O-N 3.27Å
270L81.4Confident79.1Confident0 Ų028.9 Ų28.90%016%0.158CC..Hα-helixtrans-59.7-47.5177.3175.651.4000112I264 D266 K272 I273 I274 L316 L320 L333I264-L270 HydrophobicContact CG2-CD1 4.3Å; I264-L270 HydrophobicContact CG2-CD2 4.44Å; D266-L270 WeakPolarHBondContact O-CB 3.26Å; D266-L270 PolarHBondContact O-N 2.99Å; L270-K272 PolarHBondContact O-N 3.22Å; L270-I273 WeakPolarHBondContact O-CB 3.49Å; L270-I273 PolarHBondContact O-N 2.88Å; L270-I273 VanDerWaalsContact O-N 3.14Å; L270-I274 HydrophobicContact CD1-CD1 4.02Å; L270-I274 HydrophobicContact CD1-CG1 4.22Å; L270-I274 HydrophobicContact CG-CD1 4.19Å; L270-I274 WeakPolarHBondContact O-CG1 3.47Å; L270-I274 PolarHBondContact O-N 3.47Å; L270-L316 HydrophobicContact CD1-CD1 4.01Å; L270-L316 HydrophobicContact CD1-CD2 4.07Å; L270-L320 HydrophobicContact CD2-CD1 4.46Å; L270-L320 HydrophobicContact CD2-CD2 4.44Å; L270-L333 HydrophobicContact CD2-CB 4.37Å; L270-L333 HydrophobicContact CD2-CD1 3.91Å; L270-L333 HydrophobicContact CD2-CD2 3.88Å; L270-L333 HydrophobicContact CD2-CG 4.27Å
271V82.1Confident79.2Confident59 Ų5929 Ų2936%0.35816%0.159SC..Hα-helixtrans-58.3-36.6174.21690000111.4E267 S269 I274 E275E267-V271 HydrophobicContact CG-CG2 4.33Å; E267-V271 WeakPolarHBondContact O-CB 3.45Å; E267-V271 VanDerWaalsContact O-CG2 3.26Å; E267-V271 WeakPolarHBondContact O-CG2 3.44Å; E267-V271 PolarHBondContact O-N 2.99Å; S269-V271 PolarHBondContact O-N 2.87Å; V271-I274 PolarHBondContact O-N 3.06Å; V271-E275 PolarHBondContact O-N 3.43Å
272K84.2Confident79.3Confident34 Ų3435.5 Ų35.515%0.14818%0.18CC..Hα-helixtrans-73.6-32.7177.1-164.954.1164.5179.80113.5M232 L235 S268 S269 L270 E275 I276M232-K272 HydrophobicContact CE-CB 4.23Å; M232-K272 HydrophobicContact SD-CB 3.69Å; M232-K272 HydrophobicContact SD-CG 4.15Å; L235-K272 HydrophobicContact CB-CB 4.42Å; L235-K272 HydrophobicContact CB-CG 3.88Å; L235-K272 HydrophobicContact CD1-CB 4.33Å; S268-K272 PolarHBondContact O-N 2.86Å; S269-K272 CarbonylContact O-C 3.56Å; S269-K272 PolarHBondContact O-N 2.96Å; S269-K272 VanDerWaalsContact O-N 3.08Å; L270-K272 PolarHBondContact O-N 3.22Å; K272-E275 HydrophobicContact CD-CB 4.24Å; K272-E275 WeakPolarHBondContact CD-OE2 3.47Å; K272-E275 IonicContact NZ-OE1 3.41Å; K272-E275 PolarHBondContact NZ-OE1 3.15Å; K272-E275 IonicContact NZ-OE2 3.81Å; K272-E275 PolarHBondContact NZ-OE2 3.17Å; K272-E275 PolarHBondContact O-N 3.33Å; K272-I276 HydrophobicContact CG-CD1 4.46Å; K272-I276 WeakPolarHBondContact O-CD1 3.45Å; K272-I276 VanDerWaalsContact O-CG1 3.24Å; K272-I276 WeakPolarHBondContact O-CG1 3.37Å; K272-I276 PolarHBondContact O-N 2.67Å
273I84.8Confident79.5Confident0 Ų035.5 Ų35.50%018%0.178CC..Hα-helixtrans-61.8-46.9169.1-59.1161.2000109.8L235 L253 F263 I264 S269 L270 E275 I276 L277 L316L235-I273 HydrophobicContact CD1-CG1 4.15Å; L235-I273 HydrophobicContact CD2-CG1 3.93Å; L253-I273 HydrophobicContact CD2-CG2 4.47Å; F263-I273 HydrophobicContact CD2-CD1 3.9Å; F263-I273 HydrophobicContact CE2-CD1 3.46Å; F263-I273 VanDerWaalsContact CE2-CD1 3.46Å; F263-I273 HydrophobicContact CE2-CG1 4.06Å; I264-I273 HydrophobicContact CG1-CD1 4.29Å; S269-I273 WeakPolarHBondContact O-CG1 3.44Å; S269-I273 PolarHBondContact O-N 3.27Å; L270-I273 WeakPolarHBondContact O-CB 3.49Å; L270-I273 PolarHBondContact O-N 2.88Å; L270-I273 VanDerWaalsContact O-N 3.14Å; I273-E275 VanDerWaalsContact C-N 3.31Å; I273-E275 PolarHBondContact O-N 2.94Å; I273-I276 WeakPolarHBondContact O-CB 3.48Å; I273-I276 PolarHBondContact O-N 3.13Å; I273-I276 VanDerWaalsContact O-N 3.14Å; I273-L277 HydrophobicContact CG2-CD1 3.88Å; I273-L277 HydrophobicContact CG2-CG 4.26Å; I273-L277 WeakPolarHBondContact O-CG 3.25Å; I273-L277 PolarHBondContact O-N 3.18Å; I273-L316 HydrophobicContact CB-CD1 4.4Å; I273-L316 HydrophobicContact CD1-CD1 4.01Å; I273-L316 HydrophobicContact CG2-CD1 3.7Å
274I82.7Confident78.7Confident16 Ų1639 Ų398%0.08220%0.202CC..Hα-helixtrans-60.2-42.8178.3-64.8167.7000110.1L270 V271 I276 L277 M278 Q336 L337 L340L270-I274 HydrophobicContact CD1-CD1 4.02Å; L270-I274 HydrophobicContact CD1-CG1 4.22Å; L270-I274 HydrophobicContact CG-CD1 4.19Å; L270-I274 WeakPolarHBondContact O-CG1 3.47Å; L270-I274 PolarHBondContact O-N 3.47Å; V271-I274 PolarHBondContact O-N 3.06Å; I274-I276 PolarHBondContact O-N 2.89Å; I274-L277 PolarHBondContact O-N 2.67Å; I274-M278 HydrophobicContact CG2-CG 4.15Å; I274-M278 VanDerWaalsContact O-CB 3.3Å; I274-M278 WeakPolarHBondContact O-CB 3.44Å; I274-M278 WeakPolarHBondContact O-CG 3.36Å; I274-M278 PolarHBondContact O-N 3.37Å; I274-Q336 HydrophobicContact CD1-CB 4.14Å; I274-L337 HydrophobicContact CD1-CD2 3.84Å; I274-L337 HydrophobicContact CD1-CG 3.91Å; I274-L337 HydrophobicContact CG1-CD2 3.8Å; I274-L337 HydrophobicContact CG1-CG 4.42Å; I274-L340 HydrophobicContact CG1-CD1 4.48Å; I274-L340 HydrophobicContact CG2-CD1 4.29Å; I274-L340 HydrophobicContact CG2-CG 4.4Å
275E84.1Confident78.1Confident94 Ų9441.2 Ų41.244%0.43922%0.217SC..Hα-helixtrans-58.6-43.8174.5-162.2-161.4125.200112.5V271 K272 I273 M278 C279V271-E275 PolarHBondContact O-N 3.43Å; K272-E275 HydrophobicContact CD-CB 4.24Å; K272-E275 WeakPolarHBondContact CD-OE2 3.47Å; K272-E275 IonicContact NZ-OE1 3.41Å; K272-E275 PolarHBondContact NZ-OE1 3.15Å; K272-E275 IonicContact NZ-OE2 3.81Å; K272-E275 PolarHBondContact NZ-OE2 3.17Å; K272-E275 PolarHBondContact O-N 3.33Å; I273-E275 VanDerWaalsContact C-N 3.31Å; I273-E275 PolarHBondContact O-N 2.94Å; E275-M278 PolarHBondContact O-N 2.84Å; E275-C279 PolarHBondContact O-N 2.61Å; E275-C279 VanDerWaalsContact O-N 3.09Å; E275-C279 PolarHBondContact O-SG 3.17Å
276I85Confident77.5Confident2 Ų246.1 Ų46.11%0.0124%0.24CC..Hα-helixtrans-62.7-48.7177.3-68.6159.1000110.8L235 I238 A239 L242 L253 K272 I273 I274 M278 C279 A280L235-I276 HydrophobicContact CB-CD1 4.14Å; L235-I276 HydrophobicContact CD2-CD1 4.01Å; L235-I276 WeakPolarHBondContact O-CD1 3.39Å; I238-I276 HydrophobicContact CB-CD1 4.36Å; I238-I276 HydrophobicContact CG2-CD1 3.99Å; I238-I276 HydrophobicContact CG2-CG2 4.12Å; A239-I276 HydrophobicContact CB-CD1 4.29Å; A239-I276 HydrophobicContact CB-CG1 3.78Å; L242-I276 HydrophobicContact CD1-CG2 4.25Å; L242-I276 HydrophobicContact CD2-CG2 4.14Å; L242-I276 WeakPolarHBondContact CD2-O 3.26Å; L253-I276 HydrophobicContact CD2-CG2 3.82Å; K272-I276 HydrophobicContact CG-CD1 4.46Å; K272-I276 WeakPolarHBondContact O-CD1 3.45Å; K272-I276 VanDerWaalsContact O-CG1 3.24Å; K272-I276 WeakPolarHBondContact O-CG1 3.37Å; K272-I276 PolarHBondContact O-N 2.67Å; I273-I276 WeakPolarHBondContact O-CB 3.48Å; I273-I276 PolarHBondContact O-N 3.13Å; I273-I276 VanDerWaalsContact O-N 3.14Å; I274-I276 PolarHBondContact O-N 2.89Å; I276-M278 PolarHBondContact O-N 2.68Å; I276-C279 PolarHBondContact O-N 3.04Å; I276-A280 WeakPolarHBondContact O-CB 3.34Å; I276-A280 PolarHBondContact O-N 3.17Å
277L85.7Confident75.8Confident0 Ų050.4 Ų50.40%026%0.263CS..Hα-helixtrans-66-37.5179.2-63.1174000111.7L250 L253 I273 I274 C279 A280 I281 I312 L340L250-L277 HydrophobicContact CD2-CD2 4.11Å; L253-L277 HydrophobicContact CD2-CD2 4.13Å; I273-L277 HydrophobicContact CG2-CD1 3.88Å; I273-L277 HydrophobicContact CG2-CG 4.26Å; I273-L277 WeakPolarHBondContact O-CG 3.25Å; I273-L277 PolarHBondContact O-N 3.18Å; I274-L277 PolarHBondContact O-N 2.67Å; L277-C279 VanDerWaalsContact C-N 3.27Å; L277-C279 PolarHBondContact O-N 2.92Å; L277-A280 PolarHBondContact O-N 3.04Å; L277-I281 VanDerWaalsContact O-CG1 3.32Å; L277-I281 WeakPolarHBondContact O-CG1 3.12Å; L277-I281 PolarHBondContact O-N 2.73Å; L277-I312 HydrophobicContact CD1-CG2 4.14Å; L277-I312 HydrophobicContact CD2-CB 4.02Å; L277-I312 HydrophobicContact CD2-CD1 4.04Å; L277-I312 HydrophobicContact CD2-CG2 3.96Å; L277-L340 HydrophobicContact CB-CD1 4.28Å; L277-L340 HydrophobicContact CB-CD2 3.45Å; L277-L340 VanDerWaalsContact CB-CD2 3.45Å; L277-L340 HydrophobicContact CD1-CD1 4.2Å
278M81.9Confident74Confident29 Ų2953.1 Ų53.114%0.14329%0.285CS..Hα-helixtrans-64.6-28.3174.3-75.8-60.9-59.200113.1I274 E275 I276 R282 L340I274-M278 HydrophobicContact CG2-CG 4.15Å; I274-M278 VanDerWaalsContact O-CB 3.3Å; I274-M278 WeakPolarHBondContact O-CB 3.44Å; I274-M278 WeakPolarHBondContact O-CG 3.36Å; I274-M278 PolarHBondContact O-N 3.37Å; E275-M278 PolarHBondContact O-N 2.84Å; I276-M278 PolarHBondContact O-N 2.68Å; M278-R282 VanDerWaalsContact CE-CZ 3.48Å; M278-R282 VanDerWaalsContact O-CD 3.28Å; M278-R282 WeakPolarHBondContact O-CD 3.4Å; M278-R282 VanDerWaalsContact O-CG 3.28Å; M278-R282 WeakPolarHBondContact O-CG 3.5Å; M278-L340 HydrophobicContact CB-CD2 4.29Å; M278-L340 HydrophobicContact CG-CD2 3.62Å; M278-L340 HydrophobicContact CG-CG 4.23Å; M278-L340 VanDerWaalsContact SD-CA 3.57Å; M278-L340 HydrophobicContact SD-CB 4.27Å; M278-L340 HydrophobicContact SD-CD2 3.48Å; M278-L340 WeakPolarHBondContact SD-CD2 3.49Å; M278-L340 HydrophobicContact SD-CG 3.8Å
279C82Confident71.6Confident53 Ų5353.3 Ų53.336%0.35830%0.296SS..Hα-helixtrans-79.1-40.1171.6-74.80000111.6L242 E275 I276 L277 R282 T283L242-C279 HydrophobicContact CD2-CB 3.68Å; E275-C279 PolarHBondContact O-N 2.61Å; E275-C279 VanDerWaalsContact O-N 3.09Å; E275-C279 PolarHBondContact O-SG 3.17Å; I276-C279 PolarHBondContact O-N 3.04Å; L277-C279 VanDerWaalsContact C-N 3.27Å; L277-C279 PolarHBondContact O-N 2.92Å; C279-R282 PolarHBondContact O-N 3.29Å; C279-T283 PolarHBondContact O-N 3.42Å; C279-T283 PolarHBondContact O-OG1 3.44Å
280A82.8Confident69.1Low0 Ų059.2 Ų59.20%033%0.327CS..Hα-helixtrans-66-47.4-178.200000112.9L242 L250 I276 L277 R282 T283 S309L242-A280 HydrophobicContact CD1-CB 4.1Å; L242-A280 HydrophobicContact CD2-CB 4.08Å; L250-A280 HydrophobicContact CD1-CB 4.06Å; L250-A280 HydrophobicContact CD2-CB 3.77Å; L250-A280 HydrophobicContact CG-CB 4.38Å; I276-A280 WeakPolarHBondContact O-CB 3.34Å; I276-A280 PolarHBondContact O-N 3.17Å; L277-A280 PolarHBondContact O-N 3.04Å; A280-R282 PolarHBondContact O-N 3.33Å; A280-T283 WeakPolarHBondContact O-CB 3.38Å; A280-T283 PolarHBondContact O-N 3.1Å; A280-S309 WeakPolarHBondContact CB-OG 2.97Å
281I80.7Confident66.9Low5 Ų567 Ų673%0.02637%0.367CS..THydrogen-bonded Turntrans-62.8-25176.9-64.7171.8000111.9L277 S309 L310 L340 A343L277-I281 VanDerWaalsContact O-CG1 3.32Å; L277-I281 WeakPolarHBondContact O-CG1 3.12Å; L277-I281 PolarHBondContact O-N 2.73Å; I281-S309 VanDerWaalsContact CG1-CB 3.43Å; I281-L310 HydrophobicContact CD1-CD2 4.28Å; I281-L310 HydrophobicContact CD1-CG 4.48Å; I281-L340 HydrophobicContact CD1-CB 4.25Å; I281-L340 HydrophobicContact CD1-CD2 3.79Å; I281-A343 HydrophobicContact CG2-CB 3.45Å; I281-A343 VanDerWaalsContact CG2-CB 3.45Å
282R74.8Confident64.5Low165 Ų16570.2 Ų70.262%0.62338%0.382SS*.THydrogen-bonded Turntrans-90.2-2.5175.4-70179.5178.9140.6-4.7114.2M278 C279 A280 P284M278-R282 VanDerWaalsContact CE-CZ 3.48Å; M278-R282 VanDerWaalsContact O-CD 3.28Å; M278-R282 WeakPolarHBondContact O-CD 3.4Å; M278-R282 VanDerWaalsContact O-CG 3.28Å; M278-R282 WeakPolarHBondContact O-CG 3.5Å; C279-R282 PolarHBondContact O-N 3.29Å; A280-R282 PolarHBondContact O-N 3.33Å; R282-P284 WeakPolarHBondContact O-CD 3.27Å
283T72.6Confident62Low19 Ų1975.3 Ų75.312%0.11741%0.411CS..SBendtrans-83114.5176.9-57.40000107.8P246 C279 A280P246-T283 HydrophobicContact CG-CG2 4.1Å; C279-T283 PolarHBondContact O-N 3.42Å; C279-T283 PolarHBondContact O-OG1 3.44Å; A280-T283 WeakPolarHBondContact O-CB 3.38Å; A280-T283 PolarHBondContact O-N 3.1Å
284P58.4Low59.5Low83 Ų8384 Ų8454%0.53945%0.452SS..  trans-62.2149-179.827.5-34.8000110.3R282 Q286R282-P284 WeakPolarHBondContact O-CD 3.27Å; P284-Q286 PolarHBondContact O-N 2.83Å; P284-Q286 VanDerWaalsContact O-N 3.08Å
285S59.1Low57.3Low49 Ų4989.5 Ų89.534%0.34349%0.486SS..  trans-55.2115.1164.8490000108.7D287S285-D287 PolarHBondContact O-N 3.5Å
286Q53.3Low54.9Low160 Ų16093.3 Ų93.375%0.74850%0.501SS*.  trans-68.3121.9166.3-73-177-22.300107.2P284 T288P284-Q286 PolarHBondContact O-N 2.83Å; P284-Q286 VanDerWaalsContact O-N 3.08Å; Q286-T288 PolarHBondContact O-N 3.02Å
287D39.2Very low52.6Low154 Ų154100.4 Ų100.482%0.82454%0.539SS*.  trans-57.6106.8177.2-68-53.3000110S285 G289S285-D287 PolarHBondContact O-N 3.5Å; D287-G289 PolarHBondContact O-N 2.76Å
288T37.5Very low50.5Low141 Ų141103.5 Ų103.587%0.86556%0.561SS**  trans-76.859.7167.645.10000109.6Q286 N290Q286-T288 PolarHBondContact O-N 3.02Å; T288-N290 PolarHBondContact O-N 2.95Å
289G30.5Very low49Very low57 Ų57109.9 Ų109.959%0.58859%0.591SS**  trans-65.4126.517400000110.7D287D287-G289 PolarHBondContact O-N 2.76Å
290N28.9Very low47.7Very low123 Ų123109.8 Ų109.866%0.65859%0.585SS**  trans49.574.8169.5-60.3-12.3000116T288 P1793T288-N290 PolarHBondContact O-N 2.95Å; N290-P1793 WeakPolarHBondContact ND2-CG 3.41Å
291I35.6Very low46.3Very low164 Ų164112 Ų11284%0.84160%0.596SS**  trans-121.8115.8145-57.6-178.4000106.8
292N31.8Very low45.1Very low126 Ų126116.6 Ų116.667%0.67463%0.628SS**  trans-80.1156.2176.7-59.9-12000110.6
293D31Very low44.6Very low142 Ų142112.1 Ų112.176%0.75961%0.613SS**  trans69150.6155.6-58.3-48.9000120.1
294E31.6Very low44.7Very low182 Ų182112.5 Ų112.585%0.8561%0.614SS**  trans54.581.9159.4-66.6179-165.800119.9
295T37.6Very low45.7Very low132 Ų132109.2 Ų109.281%0.8159%0.593SS**  179.1142.9109.427.20000110.9
296K33.7Very low46.8Very low174 Ų174106.9 Ų106.976%0.75758%0.577SS**  trans-90.9-11.5-173.7-82.3-169.1171.2-174.30115.5
297D36.5Very low48.2Very low150 Ų150100.2 Ų100.280%0.80255%0.547SS*.SBendtrans-112.452.3-155.3-53.1-65.8000115.1
298S41.9Very low50.3Low66 Ų6692.9 Ų92.946%0.46251%0.507SS..  trans-159.847.6167.659.80000116.7E300 I301S298-E300 PolarHBondContact O-N 2.88Å; S298-I301 PolarHBondContact O-N 3.46Å
299E50.6Low52.5Low163 Ų16386.2 Ų86.276%0.76247%0.466SS*.THydrogen-bonded Turntrans-54.2-22.8-176-66.3-167.314000116.7S302 K303E299-S302 PolarHBondContact O-OG 3.44Å; E299-K303 WeakPolarHBondContact O-CG 3.25Å
300E53.2Low55.1Low51 Ų5183.6 Ų83.624%0.23844%0.439CS..THydrogen-bonded Turntrans-74.2-22.8173.6-74.9-122.9105.200113.8K254 S298 K303K254-E300 IonicContact NZ-OE1 3.7Å; K254-E300 PolarHBondContact NZ-OE1 3.4Å; K254-E300 IonicContact NZ-OE2 3.67Å; K254-E300 PolarHBondContact NZ-OE2 2.88Å; S298-E300 PolarHBondContact O-N 2.88Å; E300-K303 IonicContact OE1-NZ 3.04Å; E300-K303 PolarHBondContact OE1-NZ 2.94Å
301I54.8Low57.8Low47 Ų4779.6 Ų79.624%0.24142%0.418CS..THydrogen-bonded Turntrans-88.5-24.3-173.2-55.6-175.6000111.5S298S298-I301 PolarHBondContact O-N 3.46Å
302S55.5Low60.1Low100 Ų10071.8 Ų71.870%0.69938%0.378SS*.SBendtrans-83.5-9.5175.153.70000114.4E299E299-S302 PolarHBondContact O-OG 3.44Å
303K64Low62.8Low71 Ų7165.9 Ų65.931%0.30935%0.346SS..SBendtrans-61.9139178.9-72.1175.3-177.7178.60112E299 E300 L308 D311E299-K303 WeakPolarHBondContact O-CG 3.25Å; E300-K303 IonicContact OE1-NZ 3.04Å; E300-K303 PolarHBondContact OE1-NZ 2.94Å; K303-L308 HydrophobicContact CB-CD1 4.1Å; K303-L308 HydrophobicContact CB-CD2 4Å; K303-L308 HydrophobicContact CB-CG 3.73Å; K303-L308 HydrophobicContact CD-CD2 3.88Å; K303-L308 HydrophobicContact CD-CG 4.47Å; K303-D311 IonicContact NZ-OD2 2.68Å
304E73.9Confident65.3Low28 Ų2861 Ų6113%0.13132%0.32CS..  trans-55.1138.1174-173.3-176.9167.400110.8A306 V307 L308 T346 T347 H350E304-A306 HydrophobicContact CG-CB 4.4Å; E304-A306 PolarHBondContact O-N 3.46Å; E304-A306 VanDerWaalsContact O-N 3.12Å; E304-V307 HydrophobicContact CB-CG2 4.13Å; E304-V307 WeakPolarHBondContact O-CB 3.48Å; E304-V307 PolarHBondContact O-N 3.46Å; E304-L308 PolarHBondContact O-N 3.01Å; E304-L308 VanDerWaalsContact O-N 3.07Å; E304-T346 PolarHBondContact OE1-OG1 3.08Å; E304-T347 WeakPolarHBondContact OE2-CB 3.48Å; E304-T347 VanDerWaalsContact OE2-CG2 3.24Å; E304-T347 WeakPolarHBondContact OE2-CG2 3.36Å; E304-T347 PolarHBondContact OE2-OG1 2.95Å; E304-H350 IonicContact OE1-ND1 3.66Å
305P79.5Confident67.8Low14 Ų1455 Ų559%0.09129%0.29CS..Hα-helixtrans-59.8-27.7-176.523.8-36.4000113.9P246 L250 S309P246-P305 HydrophobicContact CB-CB 3.58Å; P246-P305 HydrophobicContact CB-CG 4.3Å; P246-P305 HydrophobicContact CG-CB 3.55Å; P246-P305 HydrophobicContact CG-CG 3.74Å; L250-P305 HydrophobicContact CD1-CB 3.72Å; L250-P305 WeakPolarHBondContact CD1-O 3.49Å; P305-S309 WeakPolarHBondContact O-CB 2.89Å; P305-S309 PolarHBondContact O-N 3.32Å; P305-S309 PolarHBondContact O-OG 3.42Å
306A81.8Confident69.9Low0 Ų048.7 Ų48.70%025%0.252CS..Hα-helixtrans-67.1-44172.900000112.5E304 S309 L310 H350E304-A306 HydrophobicContact CG-CB 4.4Å; E304-A306 PolarHBondContact O-N 3.46Å; E304-A306 VanDerWaalsContact O-N 3.12Å; A306-S309 WeakPolarHBondContact O-CB 2.98Å; A306-S309 PolarHBondContact O-N 3.37Å; A306-S309 VanDerWaalsContact O-N 3.14Å; A306-L310 WeakPolarHBondContact O-CD1 3.31Å; A306-L310 VanDerWaalsContact O-CG 3.28Å; A306-L310 WeakPolarHBondContact O-CG 3.44Å; A306-L310 PolarHBondContact O-N 2.96Å; A306-H350 HydrophobicContact CB-CB 4.17Å; A306-H350 WeakPolarHBondContact CB-CE1 3.1Å; A306-H350 VanDerWaalsContact CB-CG 3.42Å; A306-H350 WeakPolarHBondContact CB-ND1 3.22Å
307V82.3Confident72.2Confident20 Ų2040.5 Ų40.512%0.12122%0.216CC..Hα-helixtrans-60.4-47.4175.3176.90000110.3E304 S309 L310 D311 A349 A353E304-V307 HydrophobicContact CB-CG2 4.13Å; E304-V307 WeakPolarHBondContact O-CB 3.48Å; E304-V307 PolarHBondContact O-N 3.46Å; V307-S309 VanDerWaalsContact C-N 3.26Å; V307-S309 PolarHBondContact O-N 2.82Å; V307-L310 PolarHBondContact O-N 3.39Å; V307-D311 PolarHBondContact O-N 3.26Å; V307-A349 HydrophobicContact CG2-CB 4.25Å; V307-A353 HydrophobicContact CB-CB 4.3Å; V307-A353 HydrophobicContact CG1-CB 3.98Å; V307-A353 HydrophobicContact CG2-CB 3.99Å
308L83.2Confident74.3Confident0 Ų034.8 Ų34.80%019%0.187CC..Hα-helixtrans-61.3-32.4175.2-73171.6000113.2L250 V251 K303 E304 L310 I312L250-L308 HydrophobicContact CB-CB 4.1Å; L250-L308 HydrophobicContact CD1-CB 4.03Å; V251-L308 HydrophobicContact CG2-CD1 4.32Å; V251-L308 HydrophobicContact CG2-CD2 4.28Å; K303-L308 HydrophobicContact CB-CD1 4.1Å; K303-L308 HydrophobicContact CB-CD2 4Å; K303-L308 HydrophobicContact CB-CG 3.73Å; K303-L308 HydrophobicContact CD-CD2 3.88Å; K303-L308 HydrophobicContact CD-CG 4.47Å; E304-L308 PolarHBondContact O-N 3.01Å; E304-L308 VanDerWaalsContact O-N 3.07Å; L308-L310 VanDerWaalsContact C-N 3.34Å; L308-I312 VanDerWaalsContact O-CD1 3.27Å; L308-I312 WeakPolarHBondContact O-CD1 3.41Å; L308-I312 WeakPolarHBondContact O-CG1 3.13Å; L308-I312 PolarHBondContact O-N 3.4Å
309S85.4Confident75.9Confident0 Ų032.7 Ų32.70%017%0.171CC..Hα-helixtrans-69.7-33.3174.9-58.50000112.4A280 I281 P305 A306 V307 I312 F313A280-S309 WeakPolarHBondContact CB-OG 2.97Å; I281-S309 VanDerWaalsContact CG1-CB 3.43Å; P305-S309 WeakPolarHBondContact O-CB 2.89Å; P305-S309 PolarHBondContact O-N 3.32Å; P305-S309 PolarHBondContact O-OG 3.42Å; A306-S309 WeakPolarHBondContact O-CB 2.98Å; A306-S309 PolarHBondContact O-N 3.37Å; A306-S309 VanDerWaalsContact O-N 3.14Å; V307-S309 VanDerWaalsContact C-N 3.26Å; V307-S309 PolarHBondContact O-N 2.82Å; S309-I312 PolarHBondContact O-N 3.08Å; S309-F313 WeakPolarHBondContact O-CB 3.41Å; S309-F313 PolarHBondContact O-N 3.23Å
310L85.1Confident77.2Confident2 Ų225 Ų251%0.0114%0.136CC..Hα-helixtrans-77.4-35.7178.9-67.3159.8000111.4I281 A306 V307 L308 I312 F313 I314 L341 A353 R354 A357I281-L310 HydrophobicContact CD1-CD2 4.28Å; I281-L310 HydrophobicContact CD1-CG 4.48Å; A306-L310 WeakPolarHBondContact O-CD1 3.31Å; A306-L310 VanDerWaalsContact O-CG 3.28Å; A306-L310 WeakPolarHBondContact O-CG 3.44Å; A306-L310 PolarHBondContact O-N 2.96Å; V307-L310 PolarHBondContact O-N 3.39Å; L308-L310 VanDerWaalsContact C-N 3.34Å; L310-I312 VanDerWaalsContact C-N 3.31Å; L310-I312 PolarHBondContact O-N 3.28Å; L310-F313 WeakPolarHBondContact O-CB 3.31Å; L310-F313 PolarHBondContact O-N 3.44Å; L310-I314 WeakPolarHBondContact O-CG1 3.39Å; L310-I314 PolarHBondContact O-N 2.87Å; L310-L341 HydrophobicContact CD2-CD2 4.13Å; L310-A353 HydrophobicContact CB-CB 4.46Å; L310-A353 HydrophobicContact CD1-CB 4.09Å; L310-R354 HydrophobicContact CD1-CB 3.9Å; L310-A357 HydrophobicContact CB-CB 4.09Å; L310-A357 HydrophobicContact CD2-CB 3.86Å
311D84.2Confident78.2Confident40 Ų4025.5 Ų25.521%0.21414%0.144CC..Hα-helixtrans-54.1-45.7165.3-83.910.9000111.8K254 K303 V307 I314 K315K254-D311 HydrophobicContact CD-CB 4.39Å; K254-D311 IonicContact NZ-OD2 2.83Å; K254-D311 PolarHBondContact NZ-OD2 2.94Å; K303-D311 IonicContact NZ-OD2 2.68Å; V307-D311 PolarHBondContact O-N 3.26Å; D311-I314 PolarHBondContact O-N 2.78Å; D311-K315 PolarHBondContact O-N 3.37Å; D311-K315 VanDerWaalsContact O-N 3.08Å
312I85Confident79.1Confident0 Ų032.1 Ų32.10%017%0.166CC..Hα-helixtrans-68.2-41.9179.9-64.3160.4000110.7L250 L253 K254 V257 L277 L308 S309 L310 I314 K315 L316L250-I312 HydrophobicContact CB-CD1 3.91Å; L250-I312 HydrophobicContact CD2-CD1 3.77Å; L250-I312 HydrophobicContact CG-CD1 4.46Å; L250-I312 VanDerWaalsContact O-CD1 3.25Å; L250-I312 WeakPolarHBondContact O-CD1 3.37Å; L253-I312 HydrophobicContact CB-CD1 4.28Å; L253-I312 HydrophobicContact CD2-CD1 4.3Å; L253-I312 HydrophobicContact CD2-CG2 4.45Å; L253-I312 HydrophobicContact CG-CD1 4.41Å; L253-I312 HydrophobicContact CG-CG2 4.39Å; K254-I312 HydrophobicContact CB-CD1 4.13Å; K254-I312 HydrophobicContact CB-CG1 3.6Å; K254-I312 HydrophobicContact CG-CG1 4.01Å; V257-I312 HydrophobicContact CG2-CG2 4.33Å; L277-I312 HydrophobicContact CD1-CG2 4.14Å; L277-I312 HydrophobicContact CD2-CB 4.02Å; L277-I312 HydrophobicContact CD2-CD1 4.04Å; L277-I312 HydrophobicContact CD2-CG2 3.96Å; L308-I312 VanDerWaalsContact O-CD1 3.27Å; L308-I312 WeakPolarHBondContact O-CD1 3.41Å; L308-I312 WeakPolarHBondContact O-CG1 3.13Å; L308-I312 PolarHBondContact O-N 3.4Å; S309-I312 PolarHBondContact O-N 3.08Å; L310-I312 VanDerWaalsContact C-N 3.31Å; L310-I312 PolarHBondContact O-N 3.28Å; I312-I314 VanDerWaalsContact C-N 3.35Å; I312-I314 PolarHBondContact O-N 3.05Å; I312-K315 PolarHBondContact O-N 3.06Å; I312-L316 VanDerWaalsContact O-CB 3.28Å; I312-L316 WeakPolarHBondContact O-CB 2.99Å; I312-L316 PolarHBondContact O-N 3.38Å
313F87.1Confident79.7Confident1 Ų130.8 Ų30.80%0.00415%0.146CC..Hα-helixtrans-58.7-44.7174.6172.1-92.1000111.6S309 L310 L316 V317 L337 L340 L341 A357 F361S309-F313 WeakPolarHBondContact O-CB 3.41Å; S309-F313 PolarHBondContact O-N 3.23Å; L310-F313 WeakPolarHBondContact O-CB 3.31Å; L310-F313 PolarHBondContact O-N 3.44Å; F313-L316 PolarHBondContact O-N 3.38Å; F313-V317 HydrophobicContact CD1-CG2 4.28Å; F313-V317 HydrophobicContact CD2-CG2 4.23Å; F313-V317 HydrophobicContact CE1-CG2 3.98Å; F313-V317 HydrophobicContact CE2-CG2 3.95Å; F313-V317 HydrophobicContact CG-CG2 4.41Å; F313-V317 HydrophobicContact CZ-CG2 3.81Å; F313-V317 WeakPolarHBondContact O-CB 3.38Å; F313-V317 VanDerWaalsContact O-CG2 3.29Å; F313-V317 WeakPolarHBondContact O-CG2 3.45Å; F313-V317 PolarHBondContact O-N 3.24Å; F313-L337 HydrophobicContact CD2-CD2 4.19Å; F313-L337 HydrophobicContact CE2-CB 4.01Å; F313-L337 HydrophobicContact CE2-CD2 4.12Å; F313-L337 WeakPolarHBondContact CE2-O 3.41Å; F313-L340 HydrophobicContact CD2-CB 4.28Å; F313-L340 HydrophobicContact CD2-CD1 3.61Å; F313-L340 HydrophobicContact CE2-CB 4.34Å; F313-L340 HydrophobicContact CE2-CD1 4.06Å; F313-L341 HydrophobicContact CD1-CD2 4.31Å; F313-L341 HydrophobicContact CE1-CD1 3.82Å; F313-L341 HydrophobicContact CE1-CD2 3.77Å; F313-L341 HydrophobicContact CE1-CG 3.92Å; F313-L341 HydrophobicContact CE2-CG 4.37Å; F313-L341 HydrophobicContact CZ-CD1 3.53Å; F313-L341 HydrophobicContact CZ-CD2 4.05Å; F313-L341 HydrophobicContact CZ-CG 3.67Å; F313-A357 HydrophobicContact CD1-CB 3.99Å; F313-A357 HydrophobicContact CE1-CB 4.31Å; F313-F361 HydrophobicContact CE1-CB 3.89Å; F313-F361 HydrophobicContact CE1-CD2 4.37Å; F313-F361 HydrophobicContact CE1-CG 4.43Å; F313-F361 HydrophobicContact CE2-CD2 4.46Å; F313-F361 HydrophobicContact CZ-CB 3.93Å; F313-F361 AromaticContact CZ-CD2 3.64Å; F313-F361 HydrophobicContact CZ-CD2 3.64Å; F313-F361 HydrophobicContact CZ-CE2 4.42Å; F313-F361 AromaticContact CZ-CG 3.97Å; F313-F361 HydrophobicContact CZ-CG 3.97Å
314I84.8Confident79.6Confident41 Ų4127.9 Ų27.921%0.2114%0.137CC..Hα-helixtrans-58.4-51.1174.3-72164.3000111L310 D311 I312 L316 V317 T318 A357 H360L310-I314 WeakPolarHBondContact O-CG1 3.39Å; L310-I314 PolarHBondContact O-N 2.87Å; D311-I314 PolarHBondContact O-N 2.78Å; I312-I314 VanDerWaalsContact C-N 3.35Å; I312-I314 PolarHBondContact O-N 3.05Å; I314-L316 VanDerWaalsContact C-N 3.3Å; I314-L316 PolarHBondContact O-N 3.38Å; I314-V317 PolarHBondContact O-N 3.06Å; I314-T318 WeakPolarHBondContact O-CB 3.44Å; I314-T318 PolarHBondContact O-N 2.93Å; I314-T318 PolarHBondContact O-OG1 3.14Å; I314-A357 HydrophobicContact CD1-CB 3.96Å; I314-A357 HydrophobicContact CG1-CB 3.92Å; I314-H360 HydrophobicContact CG1-CB 4.3Å
315K82.9Confident78.9Confident55 Ų5532.3 Ų32.324%0.23917%0.171CC..Hα-helixtrans-57-43176-81.7-163.9174.5-171.40111.9E206 K254 V257 S258 D311 I312 T319E206-K315 IonicContact OE1-NZ 2.72Å; E206-K315 PolarHBondContact OE1-NZ 2.92Å; E206-K315 IonicContact OE2-NZ 3.12Å; K254-K315 HydrophobicContact CG-CD 4.19Å; V257-K315 HydrophobicContact CG1-CB 4.19Å; S258-K315 PolarHBondContact OG-NZ 3.35Å; D311-K315 PolarHBondContact O-N 3.37Å; D311-K315 VanDerWaalsContact O-N 3.08Å; I312-K315 PolarHBondContact O-N 3.06Å; K315-T319 WeakPolarHBondContact O-CB 3.31Å; K315-T319 PolarHBondContact O-N 3.39Å; K315-T319 PolarHBondContact O-OG1 2.86Å
316L83.2Confident78Confident0 Ų038.2 Ų38.20%020%0.195CC..Hα-helixtrans-69-42.2-178-177.5149.8000112.2I264 L270 I273 I312 F313 I314 T319 L320 L337I264-L316 HydrophobicContact CD1-CG 4.3Å; I264-L316 HydrophobicContact CG2-CG 4.39Å; L270-L316 HydrophobicContact CD1-CD1 4.01Å; L270-L316 HydrophobicContact CD1-CD2 4.07Å; I273-L316 HydrophobicContact CB-CD1 4.4Å; I273-L316 HydrophobicContact CD1-CD1 4.01Å; I273-L316 HydrophobicContact CG2-CD1 3.7Å; I312-L316 VanDerWaalsContact O-CB 3.28Å; I312-L316 WeakPolarHBondContact O-CB 2.99Å; I312-L316 PolarHBondContact O-N 3.38Å; F313-L316 PolarHBondContact O-N 3.38Å; I314-L316 VanDerWaalsContact C-N 3.3Å; I314-L316 PolarHBondContact O-N 3.38Å; L316-T319 WeakPolarHBondContact O-CB 3.47Å; L316-T319 PolarHBondContact O-N 2.85Å; L316-L320 HydrophobicContact CD2-CD1 3.67Å; L316-L320 HydrophobicContact CD2-CG 4.34Å; L316-L320 PolarHBondContact O-N 2.56Å; L316-L337 HydrophobicContact CD2-CD1 3.95Å; L316-L337 HydrophobicContact CD2-CD2 3.54Å; L316-L337 HydrophobicContact CD2-CG 4.42Å
317V81.7Confident77.1Confident2 Ų239.6 Ų39.61%0.01220%0.201CC..Hα-helixtrans-66.1-42.7176171.60000111.1F313 I314 T319 L320 S321 F361 C364F313-V317 HydrophobicContact CD1-CG2 4.28Å; F313-V317 HydrophobicContact CD2-CG2 4.23Å; F313-V317 HydrophobicContact CE1-CG2 3.98Å; F313-V317 HydrophobicContact CE2-CG2 3.95Å; F313-V317 HydrophobicContact CG-CG2 4.41Å; F313-V317 HydrophobicContact CZ-CG2 3.81Å; F313-V317 WeakPolarHBondContact O-CB 3.38Å; F313-V317 VanDerWaalsContact O-CG2 3.29Å; F313-V317 WeakPolarHBondContact O-CG2 3.45Å; F313-V317 PolarHBondContact O-N 3.24Å; I314-V317 PolarHBondContact O-N 3.06Å; V317-T319 PolarHBondContact O-N 2.91Å; V317-L320 PolarHBondContact O-N 2.72Å; V317-L320 VanDerWaalsContact O-N 3.14Å; V317-S321 PolarHBondContact O-N 2.96Å; V317-S321 PolarHBondContact O-OG 3.25Å; V317-F361 HydrophobicContact CG1-CD2 4.25Å; V317-F361 HydrophobicContact CG2-CD2 3.97Å; V317-C364 HydrophobicContact CG1-CB 3.47Å; V317-C364 VanDerWaalsContact CG1-CB 3.47Å
318T79.4Confident76.2Confident30 Ų3046.5 Ų46.518%0.18424%0.237CC..Hα-helixtrans-58.2-33172.1-50.80000112.2I314 S321 R322 H360I314-T318 WeakPolarHBondContact O-CB 3.44Å; I314-T318 PolarHBondContact O-N 2.93Å; I314-T318 PolarHBondContact O-OG1 3.14Å; T318-S321 PolarHBondContact O-OG 3.32Å; T318-R322 WeakPolarHBondContact O-CD 2.98Å; T318-R322 VanDerWaalsContact O-CG 3.28Å; T318-R322 WeakPolarHBondContact O-CG 3.35Å; T318-R322 PolarHBondContact O-N 3.5Å; T318-H360 PolarHBondContact OG1-CE1 2.77Å; T318-H360 PolarHBondContact OG1-NE2 2.98Å
319T77.3Confident75.6Confident21 Ų2150.1 Ų50.113%0.12926%0.257CS..Hα-helixtrans-75.8-39.8177.3-56.40000111.2P261 I264 K315 L316 V317 Y323P261-T319 HydrophobicContact CB-CG2 3.79Å; I264-T319 HydrophobicContact CD1-CG2 3.76Å; K315-T319 WeakPolarHBondContact O-CB 3.31Å; K315-T319 PolarHBondContact O-N 3.39Å; K315-T319 PolarHBondContact O-OG1 2.86Å; L316-T319 WeakPolarHBondContact O-CB 3.47Å; L316-T319 PolarHBondContact O-N 2.85Å; V317-T319 PolarHBondContact O-N 2.91Å; T319-Y323 HydrophobicContact CG2-CD2 3.77Å; T319-Y323 HydrophobicContact CG2-CE2 3.93Å; T319-Y323 WeakPolarHBondContact O-CD2 3.48Å; T319-Y323 PolarHBondContact O-N 3.35Å
320L77.2Confident74.8Confident3 Ų351 Ų512%0.01626%0.262CS..Hα-helixtrans-67.4-38.7176.1-74.6174.4000113.1I264 L270 L316 V317 Y323 G324 F327 L337I264-L320 HydrophobicContact CG2-CD2 3.64Å; I264-L320 HydrophobicContact CG2-CG 4Å; L270-L320 HydrophobicContact CD2-CD1 4.46Å; L270-L320 HydrophobicContact CD2-CD2 4.44Å; L316-L320 HydrophobicContact CD2-CD1 3.67Å; L316-L320 HydrophobicContact CD2-CG 4.34Å; L316-L320 PolarHBondContact O-N 2.56Å; V317-L320 PolarHBondContact O-N 2.72Å; V317-L320 VanDerWaalsContact O-N 3.14Å; L320-Y323 CarbonylContact O-C 3.44Å; L320-Y323 PolarHBondContact O-N 3.49Å; L320-G324 WeakPolarHBondContact O-CA 3.41Å; L320-G324 PolarHBondContact O-N 3.45Å; L320-F327 HydrophobicContact CD2-CD2 4.25Å; L320-F327 HydrophobicContact CD2-CE1 4.46Å; L320-F327 HydrophobicContact CD2-CE2 3.37Å; L320-F327 HydrophobicContact CD2-CZ 3.47Å; L320-F327 VanDerWaalsContact CD2-CZ 3.47Å; L320-L337 HydrophobicContact CD1-CD1 3.31Å
321S73.8Confident74.1Confident60 Ų6053.8 Ų53.842%0.4228%0.28SS..Hα-helixtrans-66.5-43.2177.757.60000112.1V317 T318 Y323V317-S321 PolarHBondContact O-N 2.96Å; V317-S321 PolarHBondContact O-OG 3.25Å; T318-S321 PolarHBondContact O-OG 3.32Å; S321-Y323 PolarHBondContact O-N 3.4Å; S321-Y323 VanDerWaalsContact O-N 3.16Å
322R73.8Confident73.6Confident186 Ų18657.1 Ų57.170%0.70229%0.289SS*.Hα-helixtrans-60.6-22.4175.5-73.9175.4179.7-178.20.8114.5T318T318-R322 WeakPolarHBondContact O-CD 2.98Å; T318-R322 VanDerWaalsContact O-CG 3.28Å; T318-R322 WeakPolarHBondContact O-CG 3.35Å; T318-R322 PolarHBondContact O-N 3.5Å
323Y68.1Low73.1Confident72 Ų7257.3 Ų57.328%0.28229%0.29SS..Hα-helixtrans-131.912.6-169.1-56.7-50.8000114.3F220 P261 T319 L320 S321 S325 K326F220-Y323 AromaticContact CE1-CD2 3.68Å; F220-Y323 HydrophobicContact CE1-CD2 3.68Å; F220-Y323 AromaticContact CE1-CE2 3.73Å; F220-Y323 HydrophobicContact CE1-CE2 3.73Å; F220-Y323 HydrophobicContact CE1-CG 4.11Å; F220-Y323 AromaticContact CE2-CD1 3.76Å; F220-Y323 HydrophobicContact CE2-CD1 3.76Å; F220-Y323 HydrophobicContact CE2-CD2 4.36Å; F220-Y323 AromaticContact CE2-CE1 3.84Å; F220-Y323 HydrophobicContact CE2-CE1 3.84Å; F220-Y323 HydrophobicContact CE2-CE2 4.43Å; F220-Y323 HydrophobicContact CE2-CG 4.04Å; F220-Y323 AromaticContact CZ-CD1 3.5Å; F220-Y323 HydrophobicContact CZ-CD1 3.5Å; F220-Y323 VanDerWaalsContact CZ-CD1 3.5Å; F220-Y323 AromaticContact CZ-CD2 3.34Å; F220-Y323 HydrophobicContact CZ-CD2 3.34Å; F220-Y323 AromaticContact CZ-CE1 3.76Å; F220-Y323 HydrophobicContact CZ-CE1 3.76Å; F220-Y323 AromaticContact CZ-CE2 3.62Å; F220-Y323 HydrophobicContact CZ-CE2 3.62Å; F220-Y323 AromaticContact CZ-CG 3.29Å; F220-Y323 HydrophobicContact CZ-CG 3.29Å; F220-Y323 AromaticContact CZ-CZ 3.81Å; P261-Y323 HydrophobicContact CB-CE2 4.13Å; T319-Y323 HydrophobicContact CG2-CD2 3.77Å; T319-Y323 HydrophobicContact CG2-CE2 3.93Å; T319-Y323 WeakPolarHBondContact O-CD2 3.48Å; T319-Y323 PolarHBondContact O-N 3.35Å; L320-Y323 CarbonylContact O-C 3.44Å; L320-Y323 PolarHBondContact O-N 3.49Å; S321-Y323 PolarHBondContact O-N 3.4Å; S321-Y323 VanDerWaalsContact O-N 3.16Å; Y323-S325 PolarHBondContact O-N 3.18Å; Y323-S325 VanDerWaalsContact O-N 3.15Å; Y323-K326 PolarHBondContact O-N 3.25Å
324G61.7Low72.5Confident11 Ų1157.5 Ų57.511%0.11329%0.292CS..G310 helixtrans-61.5-26.4-169.400000115.1L320 K326 F327L320-G324 WeakPolarHBondContact O-CA 3.41Å; L320-G324 PolarHBondContact O-N 3.45Å; G324-K326 PolarHBondContact O-N 3.13Å; G324-F327 PolarHBondContact O-N 3.02Å
325S58.9Low72Confident121 Ų12159.4 Ų59.485%0.84630%0.302SS*.G310 helixtrans-60.7-8.5-178.657.20000115.4Y323Y323-S325 PolarHBondContact O-N 3.18Å; Y323-S325 VanDerWaalsContact O-N 3.15Å
326K61.4Low71.7Confident138 Ų13859.6 Ų59.660%0.630%0.303SS*.G310 helixtrans-98.4-2.6175.7-66.3179.5-178.3177.80114.4M265 Y323 G324M265-K326 HydrophobicContact CE-CB 3.6Å; M265-K326 HydrophobicContact CE-CD 4.17Å; M265-K326 HydrophobicContact CE-CG 4.49Å; Y323-K326 PolarHBondContact O-N 3.25Å; G324-K326 PolarHBondContact O-N 3.13Å
327F63.8Low71.5Confident28 Ų2859.6 Ų59.612%0.12330%0.303CS..  trans-109.7104.8-178.2-67.6-86.3000112.2I264 M265 L320 G324 D329 L330 L333I264-F327 WeakPolarHBondContact O-CZ 3.39Å; M265-F327 HydrophobicContact CE-CD2 3.76Å; M265-F327 HydrophobicContact CE-CE1 4.14Å; M265-F327 HydrophobicContact CE-CE2 3.26Å; M265-F327 HydrophobicContact CE-CG 4.41Å; M265-F327 HydrophobicContact CE-CZ 3.5Å; M265-F327 VanDerWaalsContact CE-CZ 3.5Å; M265-F327 HydrophobicContact SD-CE2 3.63Å; M265-F327 HydrophobicContact SD-CZ 3.68Å; L320-F327 HydrophobicContact CD2-CD2 4.25Å; L320-F327 HydrophobicContact CD2-CE1 4.46Å; L320-F327 HydrophobicContact CD2-CE2 3.37Å; L320-F327 HydrophobicContact CD2-CZ 3.47Å; L320-F327 VanDerWaalsContact CD2-CZ 3.47Å; G324-F327 PolarHBondContact O-N 3.02Å; F327-D329 PolarHBondContact O-N 3.14Å; F327-L330 HydrophobicContact CB-CB 3.92Å; F327-L330 HydrophobicContact CB-CD1 4.27Å; F327-L330 HydrophobicContact CD2-CD1 4.27Å; F327-L330 HydrophobicContact CG-CD1 4.49Å; F327-L330 WeakPolarHBondContact O-CB 3.36Å; F327-L330 PolarHBondContact O-N 2.89Å; F327-L333 HydrophobicContact CB-CD1 4.46Å; F327-L333 HydrophobicContact CD1-CD1 3.44Å; F327-L333 VanDerWaalsContact CD1-CD1 3.44Å; F327-L333 HydrophobicContact CE1-CD1 3.75Å; F327-L333 HydrophobicContact CG-CD1 4.11Å
328N62.2Low71.4Confident165 Ų16559.7 Ų59.788%0.88230%0.303SS*.THydrogen-bonded Turntrans-57.7-33.5172.9-62.5-7000112.5
329D70.1Confident71.4Confident76 Ų7661.6 Ų61.641%0.40631%0.313SS..THydrogen-bonded Turntrans-99.419.8-176.6-96.236.6000113.2F327 P331 R332 L333F327-D329 PolarHBondContact O-N 3.14Å; D329-P331 VanDerWaalsContact C-CD 3.44Å; D329-P331 VanDerWaalsContact C-N 3.34Å; D329-P331 VanDerWaalsContact O-N 3.16Å; D329-R332 HydrophobicContact CB-CB 4.45Å; D329-R332 WeakPolarHBondContact O-CA 3.28Å; D329-R332 WeakPolarHBondContact O-CB 3.33Å; D329-R332 PolarHBondContact O-N 3.42Å; D329-R332 WeakPolarHBondContact OD2-CD 3.41Å; D329-R332 IonicContact OD2-CZ 2.69Å; D329-R332 IonicContact OD2-NE 2.81Å; D329-R332 IonicContact OD2-NH1 2.95Å; D329-R332 PolarHBondContact OD2-NH1 3.01Å; D329-L333 PolarHBondContact O-N 2.94Å
330L69.4Low71.4Confident20 Ų2060.7 Ų60.711%0.10531%0.307CS..Hα-helixtrans-48.3-43.7-176-172.764.1000114.4F327 R332 L333 L334F327-L330 HydrophobicContact CB-CB 3.92Å; F327-L330 HydrophobicContact CB-CD1 4.27Å; F327-L330 HydrophobicContact CD2-CD1 4.27Å; F327-L330 HydrophobicContact CG-CD1 4.49Å; F327-L330 WeakPolarHBondContact O-CB 3.36Å; F327-L330 PolarHBondContact O-N 2.89Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 2.91Å; L330-L333 PolarHBondContact O-N 3.38Å; L330-L334 HydrophobicContact CD1-CD1 4.35Å; L330-L334 HydrophobicContact CD1-CG 4.37Å; L330-L334 HydrophobicContact CG-CD1 3.92Å; L330-L334 HydrophobicContact CG-CG 4.4Å; L330-L334 WeakPolarHBondContact O-CG 3.45Å; L330-L334 PolarHBondContact O-N 2.95Å
331P69.7Low71.6Confident60 Ų6060.5 Ų60.539%0.3931%0.306SS..Hα-helixtrans-56.9-40.9174.6-27.737.3000113.8D329 L334 L335 L369D329-P331 VanDerWaalsContact C-CD 3.44Å; D329-P331 VanDerWaalsContact C-N 3.34Å; D329-P331 VanDerWaalsContact O-N 3.16Å; P331-L334 PolarHBondContact O-N 3.15Å; P331-L335 WeakPolarHBondContact O-CD1 3.31Å; P331-L335 PolarHBondContact O-N 3.15Å; P331-L369 HydrophobicContact CB-CD1 4.4Å; P331-L369 HydrophobicContact CB-CD2 3.85Å; P331-L369 HydrophobicContact CG-CD1 4.34Å; P331-L369 HydrophobicContact CG-CD2 4.12Å
332R74Confident71.7Confident110 Ų11064.2 Ų64.242%0.41531%0.311SS..Hα-helixtrans-69.3-36.5-178.3175.8173.4157.7-105.1-16.5111.3E267 D329 L330 Q336E267-R332 IonicContact OE1-CZ 2.66Å; E267-R332 IonicContact OE1-NH1 3.2Å; E267-R332 PolarHBondContact OE1-NH1 3.33Å; E267-R332 IonicContact OE1-NH2 2.74Å; E267-R332 PolarHBondContact OE1-NH2 3.14Å; E267-R332 IonicContact OE2-NH1 2.85Å; D329-R332 HydrophobicContact CB-CB 4.45Å; D329-R332 WeakPolarHBondContact O-CA 3.28Å; D329-R332 WeakPolarHBondContact O-CB 3.33Å; D329-R332 PolarHBondContact O-N 3.42Å; D329-R332 WeakPolarHBondContact OD2-CD 3.41Å; D329-R332 IonicContact OD2-CZ 2.69Å; D329-R332 IonicContact OD2-NE 2.81Å; D329-R332 IonicContact OD2-NH1 2.95Å; D329-R332 PolarHBondContact OD2-NH1 3.01Å; L330-R332 VanDerWaalsContact C-N 3.31Å; L330-R332 PolarHBondContact O-N 2.91Å; R332-Q336 WeakPolarHBondContact O-CG 3.49Å; R332-Q336 PolarHBondContact O-N 3.18Å
333L74Confident71.6Confident3 Ų356 Ų562%0.01628%0.282CS..Hα-helixtrans-68.4-43173.8-63.5174.3000111.8E267 L270 F327 D329 L330 L335 Q336 L337E267-L333 HydrophobicContact CG-CD2 4.34Å; L270-L333 HydrophobicContact CD2-CB 4.37Å; L270-L333 HydrophobicContact CD2-CD1 3.91Å; L270-L333 HydrophobicContact CD2-CD2 3.88Å; L270-L333 HydrophobicContact CD2-CG 4.27Å; F327-L333 HydrophobicContact CB-CD1 4.46Å; F327-L333 HydrophobicContact CD1-CD1 3.44Å; F327-L333 VanDerWaalsContact CD1-CD1 3.44Å; F327-L333 HydrophobicContact CE1-CD1 3.75Å; F327-L333 HydrophobicContact CG-CD1 4.11Å; D329-L333 PolarHBondContact O-N 2.94Å; L330-L333 PolarHBondContact O-N 3.38Å; L333-L335 VanDerWaalsContact C-N 3.34Å; L333-L335 PolarHBondContact O-N 3.29Å; L333-Q336 PolarHBondContact O-N 2.63Å; L333-Q336 VanDerWaalsContact O-N 3.16Å; L333-L337 WeakPolarHBondContact O-CG 3.34Å; L333-L337 PolarHBondContact O-N 3.16Å
334L74.7Confident71.6Confident6 Ų659.7 Ų59.73%0.03130%0.3CS..Hα-helixtrans-62.5-39.3175.1-69.9166.9000111.9L330 P331 Q336 L337 F338 F361 L365 L369L330-L334 HydrophobicContact CD1-CD1 4.35Å; L330-L334 HydrophobicContact CD1-CG 4.37Å; L330-L334 HydrophobicContact CG-CD1 3.92Å; L330-L334 HydrophobicContact CG-CG 4.4Å; L330-L334 WeakPolarHBondContact O-CG 3.45Å; L330-L334 PolarHBondContact O-N 2.95Å; P331-L334 PolarHBondContact O-N 3.15Å; L334-Q336 VanDerWaalsContact C-N 3.35Å; L334-Q336 PolarHBondContact O-N 2.75Å; L334-L337 PolarHBondContact O-N 3.04Å; L334-F338 PolarHBondContact O-N 3.02Å; L334-F361 HydrophobicContact CB-CE2 4.47Å; L334-F361 HydrophobicContact CB-CZ 4.37Å; L334-F361 HydrophobicContact CD2-CE2 3.89Å; L334-F361 HydrophobicContact CD2-CZ 4.49Å; L334-F361 WeakPolarHBondContact O-CZ 3.35Å; L334-L365 HydrophobicContact CB-CD2 4.25Å; L334-L365 HydrophobicContact CD1-CD2 3.89Å; L334-L365 HydrophobicContact CD2-CD2 4.15Å; L334-L365 HydrophobicContact CG-CD2 4.32Å; L334-L369 HydrophobicContact CD1-CD1 3.68Å
335L74.9Confident72.2Confident81 Ų8160.2 Ų60.242%0.42430%0.302SS..Hα-helixtrans-64.6-34.2173.1-94.283.5000113.3P331 L333 F377P331-L335 WeakPolarHBondContact O-CD1 3.31Å; P331-L335 PolarHBondContact O-N 3.15Å; L333-L335 VanDerWaalsContact C-N 3.34Å; L333-L335 PolarHBondContact O-N 3.29Å; L335-F377 HydrophobicContact CD1-CZ 3.82Å; L335-F377 HydrophobicContact CG-CZ 4.22Å
336Q76.1Confident72.8Confident58 Ų5857.9 Ų57.927%0.27128%0.283SS..Hα-helixtrans-71-39.2174.1-73.6177.8-15.800112.1I274 R332 L333 L334 F338 D339I274-Q336 HydrophobicContact CD1-CB 4.14Å; R332-Q336 WeakPolarHBondContact O-CG 3.49Å; R332-Q336 PolarHBondContact O-N 3.18Å; L333-Q336 PolarHBondContact O-N 2.63Å; L333-Q336 VanDerWaalsContact O-N 3.16Å; L334-Q336 VanDerWaalsContact C-N 3.35Å; L334-Q336 PolarHBondContact O-N 2.75Å; Q336-F338 VanDerWaalsContact C-N 3.27Å; Q336-F338 PolarHBondContact O-N 3.41Å; Q336-D339 PolarHBondContact O-N 2.89Å
337L78.8Confident73.3Confident0 Ų053.5 Ų53.50%027%0.268CS..Hα-helixtrans-62.5-36174.9-78.2163.5000111.8I274 F313 L316 L320 L333 L334 D339 L340 F361I274-L337 HydrophobicContact CD1-CD2 3.84Å; I274-L337 HydrophobicContact CD1-CG 3.91Å; I274-L337 HydrophobicContact CG1-CD2 3.8Å; I274-L337 HydrophobicContact CG1-CG 4.42Å; F313-L337 HydrophobicContact CD2-CD2 4.19Å; F313-L337 HydrophobicContact CE2-CB 4.01Å; F313-L337 HydrophobicContact CE2-CD2 4.12Å; F313-L337 WeakPolarHBondContact CE2-O 3.41Å; L316-L337 HydrophobicContact CD2-CD1 3.95Å; L316-L337 HydrophobicContact CD2-CD2 3.54Å; L316-L337 HydrophobicContact CD2-CG 4.42Å; L320-L337 HydrophobicContact CD1-CD1 3.31Å; L333-L337 WeakPolarHBondContact O-CG 3.34Å; L333-L337 PolarHBondContact O-N 3.16Å; L334-L337 PolarHBondContact O-N 3.04Å; L337-D339 PolarHBondContact O-N 3.38Å; L337-L340 HydrophobicContact CD2-CD1 4.09Å; L337-L340 WeakPolarHBondContact O-CB 3.34Å; L337-L340 PolarHBondContact O-N 3.02Å; L337-L340 VanDerWaalsContact O-N 3.1Å; L337-F361 HydrophobicContact CB-CE2 4.16Å
338F81.1Confident73.6Confident4 Ų455 Ų552%0.01828%0.277CS..Hα-helixtrans-61.8-23.8177.2-171.6-121.7000114.2L334 Q336 L340 L341 R342 W358 F361 K376 F377L334-F338 PolarHBondContact O-N 3.02Å; Q336-F338 VanDerWaalsContact C-N 3.27Å; Q336-F338 PolarHBondContact O-N 3.41Å; F338-L340 PolarHBondContact O-N 2.94Å; F338-L341 HydrophobicContact CD2-CB 4.26Å; F338-L341 HydrophobicContact CD2-CD1 4.03Å; F338-L341 HydrophobicContact CE2-CB 4.34Å; F338-L341 HydrophobicContact CE2-CD1 4.38Å; F338-L341 PolarHBondContact O-N 3.5Å; F338-R342 HydrophobicContact CE1-CG 4.3Å; F338-R342 PolarHBondContact O-N 2.97Å; F338-W358 AromaticContact CE2-CE2 3.7Å; F338-W358 AromaticContact CE2-CZ2 3.85Å; F338-W358 HydrophobicContact CE2-CZ2 3.85Å; F338-W358 AromaticContact CE2-NE1 3.49Å; F338-W358 AromaticContact CZ-CZ2 3.8Å; F338-W358 HydrophobicContact CZ-CZ2 3.8Å; F338-F361 HydrophobicContact CB-CE1 4.14Å; F338-F361 HydrophobicContact CB-CZ 3.99Å; F338-F361 HydrophobicContact CD2-CD1 4.17Å; F338-F361 AromaticContact CD2-CE1 3.72Å; F338-F361 HydrophobicContact CD2-CE1 3.72Å; F338-F361 HydrophobicContact CD2-CZ 4.4Å; F338-F361 HydrophobicContact CG-CE1 4.25Å; F338-K376 WeakPolarHBondContact CE1-O 3.5Å; F338-K376 WeakPolarHBondContact CZ-O 3.42Å; F338-F377 HydrophobicContact CB-CD1 4.36Å; F338-F377 HydrophobicContact CB-CE1 4.01Å; F338-F377 AromaticContact CD1-CD1 3.83Å; F338-F377 HydrophobicContact CD1-CD1 3.83Å; F338-F377 AromaticContact CD1-CE1 3.9Å; F338-F377 HydrophobicContact CD1-CE1 3.9Å; F338-F377 AromaticContact CD2-CD1 3.81Å; F338-F377 HydrophobicContact CD2-CD1 3.81Å; F338-F377 HydrophobicContact CD2-CE1 4.31Å; F338-F377 HydrophobicContact CE1-CD1 4.03Å; F338-F377 HydrophobicContact CE1-CE1 4.48Å; F338-F377 HydrophobicContact CE2-CD1 4.04Å; F338-F377 AromaticContact CG-CD1 3.72Å; F338-F377 HydrophobicContact CG-CD1 3.72Å; F338-F377 AromaticContact CG-CE1 3.8Å; F338-F377 HydrophobicContact CG-CE1 3.8Å; F338-F377 HydrophobicContact CZ-CD1 4.15Å
339D77.7Confident74.2Confident71 Ų7149.6 Ų49.638%0.3826%0.255SS..Hα-helixtrans-67-20.4175.3-79.5-28.3000113.4Q336 L337 R342Q336-D339 PolarHBondContact O-N 2.89Å; L337-D339 PolarHBondContact O-N 3.38Å; D339-R342 PolarHBondContact O-N 3.27Å; D339-R342 VanDerWaalsContact OD1-CD 3.3Å; D339-R342 WeakPolarHBondContact OD1-CD 3.42Å; D339-R342 IonicContact OD1-CZ 2.69Å; D339-R342 IonicContact OD1-NE 2.67Å; D339-R342 IonicContact OD1-NH1 3.89Å; D339-R342 PolarHBondContact OD1-NH1 3.42Å
340L79Confident74.5Confident1 Ų146 Ų461%0.00524%0.235CC..Hα-helixtrans-66.1-44.6170.8-70.4159.5000111.4I274 L277 M278 I281 F313 L337 F338 R342 A343I274-L340 HydrophobicContact CG1-CD1 4.48Å; I274-L340 HydrophobicContact CG2-CD1 4.29Å; I274-L340 HydrophobicContact CG2-CG 4.4Å; L277-L340 HydrophobicContact CB-CD1 4.28Å; L277-L340 HydrophobicContact CB-CD2 3.45Å; L277-L340 VanDerWaalsContact CB-CD2 3.45Å; L277-L340 HydrophobicContact CD1-CD1 4.2Å; M278-L340 HydrophobicContact CB-CD2 4.29Å; M278-L340 HydrophobicContact CG-CD2 3.62Å; M278-L340 HydrophobicContact CG-CG 4.23Å; M278-L340 VanDerWaalsContact SD-CA 3.57Å; M278-L340 HydrophobicContact SD-CB 4.27Å; M278-L340 HydrophobicContact SD-CD2 3.48Å; M278-L340 WeakPolarHBondContact SD-CD2 3.49Å; M278-L340 HydrophobicContact SD-CG 3.8Å; I281-L340 HydrophobicContact CD1-CB 4.25Å; I281-L340 HydrophobicContact CD1-CD2 3.79Å; F313-L340 HydrophobicContact CD2-CB 4.28Å; F313-L340 HydrophobicContact CD2-CD1 3.61Å; F313-L340 HydrophobicContact CE2-CB 4.34Å; F313-L340 HydrophobicContact CE2-CD1 4.06Å; L337-L340 HydrophobicContact CD2-CD1 4.09Å; L337-L340 WeakPolarHBondContact O-CB 3.34Å; L337-L340 PolarHBondContact O-N 3.02Å; L337-L340 VanDerWaalsContact O-N 3.1Å; F338-L340 PolarHBondContact O-N 2.94Å; L340-R342 PolarHBondContact O-N 3.16Å; L340-A343 WeakPolarHBondContact O-CB 3.43Å; L340-A343 PolarHBondContact O-N 3.46Å
341L81.4Confident74.8Confident0 Ų045.3 Ų45.30%023%0.232CC..Hα-helixtrans-70-15.6179.1-62.9173.4000112.7L310 F313 F338 A343 R354 A357 W358 F361L310-L341 HydrophobicContact CD2-CD2 4.13Å; F313-L341 HydrophobicContact CD1-CD2 4.31Å; F313-L341 HydrophobicContact CE1-CD1 3.82Å; F313-L341 HydrophobicContact CE1-CD2 3.77Å; F313-L341 HydrophobicContact CE1-CG 3.92Å; F313-L341 HydrophobicContact CE2-CG 4.37Å; F313-L341 HydrophobicContact CZ-CD1 3.53Å; F313-L341 HydrophobicContact CZ-CD2 4.05Å; F313-L341 HydrophobicContact CZ-CG 3.67Å; F338-L341 HydrophobicContact CD2-CB 4.26Å; F338-L341 HydrophobicContact CD2-CD1 4.03Å; F338-L341 HydrophobicContact CE2-CB 4.34Å; F338-L341 HydrophobicContact CE2-CD1 4.38Å; F338-L341 PolarHBondContact O-N 3.5Å; L341-A343 VanDerWaalsContact C-N 3.34Å; L341-R354 VanDerWaalsContact O-CZ 3.26Å; L341-R354 PolarHBondContact O-NE 3.46Å; L341-R354 PolarHBondContact O-NH2 2.93Å; L341-A357 HydrophobicContact CD2-CB 4.02Å; L341-W358 HydrophobicContact CB-CD2 4.45Å; L341-W358 HydrophobicContact CD1-CB 3.99Å; L341-W358 HydrophobicContact CD1-CG 3.88Å; L341-W358 HydrophobicContact CD2-CB 4.06Å; L341-W358 HydrophobicContact CG-CB 4.5Å; L341-F361 HydrophobicContact CD1-CB 3.79Å; L341-F361 HydrophobicContact CD1-CD1 3.92Å; L341-F361 HydrophobicContact CD1-CG 3.87Å
342R75.3Confident75.1Confident137 Ų13743.6 Ų43.652%0.51722%0.219SC..THydrogen-bonded Turntrans-80.7-6174.9-72.7175.5170.6156.4-2.7114.7F338 D339 L340F338-R342 HydrophobicContact CE1-CG 4.3Å; F338-R342 PolarHBondContact O-N 2.97Å; D339-R342 PolarHBondContact O-N 3.27Å; D339-R342 VanDerWaalsContact OD1-CD 3.3Å; D339-R342 WeakPolarHBondContact OD1-CD 3.42Å; D339-R342 IonicContact OD1-CZ 2.69Å; D339-R342 IonicContact OD1-NE 2.67Å; D339-R342 IonicContact OD1-NH1 3.89Å; D339-R342 PolarHBondContact OD1-NH1 3.42Å; L340-R342 PolarHBondContact O-N 3.16Å
343A72Confident75.4Confident13 Ų1339.2 Ų39.211%0.10721%0.206CC..SBendtrans-64.5146.1174.100000112I281 L340 L341 R354I281-A343 HydrophobicContact CG2-CB 3.45Å; I281-A343 VanDerWaalsContact CG2-CB 3.45Å; L340-A343 WeakPolarHBondContact O-CB 3.43Å; L340-A343 PolarHBondContact O-N 3.46Å; L341-A343 VanDerWaalsContact C-N 3.34Å; A343-R354 VanDerWaalsContact O-CZ 3.3Å; A343-R354 PolarHBondContact O-NE 2.93Å
344F67.9Low75.8Confident150 Ų15040 Ų4066%0.65821%0.209SC*.PPolyproline II helixtrans-78129.4172.5-71.2-84.8000109.8
345P74.4Confident76.1Confident23 Ų2339.8 Ų39.815%0.14921%0.208CC..PPolyproline II helixtrans-73.7144.3178.730.2-34.5000112.2H350P345-H350 HydrophobicContact CB-CB 4.14Å
346T70.4Confident76.5Confident72 Ų7238.6 Ų38.644%0.44220%0.199SC..SBendtrans-89.6-26.1-178.833.60000113.9E304 H350E304-T346 PolarHBondContact OE1-OG1 3.08Å; T346-H350 PolarHBondContact N-ND1 2.97Å; T346-H350 VanDerWaalsContact N-ND1 3.2Å; T346-H350 PolarHBondContact OG1-ND1 3.43Å
347T72.2Confident76.9Confident46 Ų4635.8 Ų35.828%0.28219%0.187SC..SBendtrans-141.4171.4-176.4740000110.6E304 A349 H350 S351E304-T347 WeakPolarHBondContact OE2-CB 3.48Å; E304-T347 VanDerWaalsContact OE2-CG2 3.24Å; E304-T347 WeakPolarHBondContact OE2-CG2 3.36Å; E304-T347 PolarHBondContact OE2-OG1 2.95Å; T347-A349 PolarHBondContact OG1-N 3.05Å; T347-H350 WeakPolarHBondContact OG1-CB 3.5Å; T347-H350 PolarHBondContact OG1-N 3.32Å; T347-S351 WeakPolarHBondContact O-CB 3.45Å; T347-S351 PolarHBondContact O-N 2.97Å; T347-S351 PolarHBondContact O-OG 2.85Å
348L71.1Confident77.4Confident59 Ų5936.2 Ų36.231%0.30919%0.188SC..Hα-helixtrans-61.7-43.8167.8172.655.8000112.1H350 S351 E352 Q408L348-H350 PolarHBondContact O-N 2.74Å; L348-S351 WeakPolarHBondContact CA-OG 3.45Å; L348-S351 PolarHBondContact O-N 3.41Å; L348-S351 PolarHBondContact O-OG 3.42Å; L348-E352 HydrophobicContact CD1-CG 3.88Å; L348-E352 HydrophobicContact CG-CG 4.5Å; L348-E352 PolarHBondContact O-N 2.79Å; L348-Q408 WeakPolarHBondContact CD1-O 3.37Å
349A74.1Confident77.7Confident51 Ų5136 Ų3642%0.42119%0.187SC..Hα-helixtrans-62.3-42.3179.900000112.1V307 T347 A353V307-A349 HydrophobicContact CG2-CB 4.25Å; T347-A349 PolarHBondContact OG1-N 3.05Å; A349-A353 WeakPolarHBondContact O-CB 3.22Å; A349-A353 PolarHBondContact O-N 3.05Å; A349-A353 VanDerWaalsContact O-N 3.07Å
350H77Confident78.1Confident1 Ų134.2 Ų34.21%0.00518%0.176CC..Hα-helixtrans-60.2-46.5170.3-177.1167.7000110.5E304 A306 P345 T346 T347 L348 E352 A353 R354E304-H350 IonicContact OE1-ND1 3.66Å; A306-H350 HydrophobicContact CB-CB 4.17Å; A306-H350 WeakPolarHBondContact CB-CE1 3.1Å; A306-H350 VanDerWaalsContact CB-CG 3.42Å; A306-H350 WeakPolarHBondContact CB-ND1 3.22Å; P345-H350 HydrophobicContact CB-CB 4.14Å; T346-H350 PolarHBondContact N-ND1 2.97Å; T346-H350 VanDerWaalsContact N-ND1 3.2Å; T346-H350 PolarHBondContact OG1-ND1 3.43Å; T347-H350 WeakPolarHBondContact OG1-CB 3.5Å; T347-H350 PolarHBondContact OG1-N 3.32Å; L348-H350 PolarHBondContact O-N 2.74Å; H350-E352 PolarHBondContact O-N 3.13Å; H350-A353 PolarHBondContact O-N 3.39Å; H350-R354 WeakPolarHBondContact O-CB 3.31Å; H350-R354 PolarHBondContact O-N 3.09Å
351S75.2Confident78.4Confident6 Ų634.2 Ų34.24%0.04218%0.176CC..Hα-helixtrans-65.5-39.6-177.8730000113.1T347 L348 R354 L355 Y389T347-S351 WeakPolarHBondContact O-CB 3.45Å; T347-S351 PolarHBondContact O-N 2.97Å; T347-S351 PolarHBondContact O-OG 2.85Å; L348-S351 WeakPolarHBondContact CA-OG 3.45Å; L348-S351 PolarHBondContact O-N 3.41Å; L348-S351 PolarHBondContact O-OG 3.42Å; S351-R354 PolarHBondContact O-N 3.17Å; S351-L355 PolarHBondContact O-N 3.44Å; S351-L355 VanDerWaalsContact O-N 3.12Å; S351-Y389 WeakPolarHBondContact CB-OH 3.42Å; S351-Y389 PolarHBondContact O-OH 3.06Å; S351-Y389 PolarHBondContact OG-OH 3.37Å
352E75.4Confident78.6Confident23 Ų2334.2 Ų34.211%0.10718%0.176CC..Hα-helixtrans-62.3-55.6174.8-74.3-177.3173.700110.5L348 H350 R354 L355 F356 Y389 N415 K417L348-E352 HydrophobicContact CD1-CG 3.88Å; L348-E352 HydrophobicContact CG-CG 4.5Å; L348-E352 PolarHBondContact O-N 2.79Å; H350-E352 PolarHBondContact O-N 3.13Å; E352-R354 PolarHBondContact O-N 3.33Å; E352-R354 VanDerWaalsContact O-N 3.17Å; E352-L355 PolarHBondContact O-N 2.91Å; E352-F356 VanDerWaalsContact O-CD2 3.27Å; E352-F356 WeakPolarHBondContact O-CD2 3.14Å; E352-F356 PolarHBondContact O-N 2.99Å; E352-F356 VanDerWaalsContact O-N 3.07Å; E352-Y389 PolarHBondContact N-OH 3.1Å; E352-N415 PolarHBondContact OE1-ND2 3.13Å; E352-K417 IonicContact OE1-NZ 2.92Å; E352-K417 WeakPolarHBondContact OE2-CD 3.46Å; E352-K417 IonicContact OE2-NZ 3.21Å; E352-K417 PolarHBondContact OE2-NZ 3.1Å
353A80Confident79Confident18 Ų1828.9 Ų28.915%0.14916%0.16CC..Hα-helixtrans-56.9-34.5178.400000112.1V307 L310 A349 H350 F356 A357V307-A353 HydrophobicContact CB-CB 4.3Å; V307-A353 HydrophobicContact CG1-CB 3.98Å; V307-A353 HydrophobicContact CG2-CB 3.99Å; L310-A353 HydrophobicContact CB-CB 4.46Å; L310-A353 HydrophobicContact CD1-CB 4.09Å; A349-A353 WeakPolarHBondContact O-CB 3.22Å; A349-A353 PolarHBondContact O-N 3.05Å; A349-A353 VanDerWaalsContact O-N 3.07Å; H350-A353 PolarHBondContact O-N 3.39Å; A353-F356 PolarHBondContact O-N 3.34Å; A353-A357 WeakPolarHBondContact O-CB 3.4Å; A353-A357 PolarHBondContact O-N 2.77Å
354R83Confident79.3Confident20 Ų2029.4 Ų29.48%0.07516%0.162CC..Hα-helixtrans-67.7-36.3176.5178.2179168.7-110-2.1112.2L310 L341 A343 H350 S351 E352 W358 N384L310-R354 HydrophobicContact CD1-CB 3.9Å; L341-R354 VanDerWaalsContact O-CZ 3.26Å; L341-R354 PolarHBondContact O-NE 3.46Å; L341-R354 PolarHBondContact O-NH2 2.93Å; A343-R354 VanDerWaalsContact O-CZ 3.3Å; A343-R354 PolarHBondContact O-NE 2.93Å; H350-R354 WeakPolarHBondContact O-CB 3.31Å; H350-R354 PolarHBondContact O-N 3.09Å; S351-R354 PolarHBondContact O-N 3.17Å; E352-R354 PolarHBondContact O-N 3.33Å; E352-R354 VanDerWaalsContact O-N 3.17Å; R354-W358 VanDerWaalsContact O-CB 3.25Å; R354-W358 WeakPolarHBondContact O-CB 3.36Å; R354-W358 PolarHBondContact O-N 2.69Å; R354-N384 PolarHBondContact NH1-OD1 3.43Å
355L81.5Confident79.8Confident2 Ų222.9 Ų22.91%0.0113%0.134CC..Hα-helixtrans-68.3-48.8172.5-83.2-166000111.9S351 E352 A357 W358 W359 F381 N384 L385 Y389 L421S351-L355 PolarHBondContact O-N 3.44Å; S351-L355 VanDerWaalsContact O-N 3.12Å; E352-L355 PolarHBondContact O-N 2.91Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.48Å; L355-W358 PolarHBondContact O-N 2.86Å; L355-W358 VanDerWaalsContact O-N 3.09Å; L355-W359 PolarHBondContact O-N 2.97Å; L355-F381 HydrophobicContact CD2-CD2 4.09Å; L355-F381 HydrophobicContact CD2-CE2 3.82Å; L355-N384 WeakPolarHBondContact CD2-ND2 3.38Å; L355-L385 HydrophobicContact CD1-CD1 3.57Å; L355-Y389 HydrophobicContact CD1-CD1 4.38Å; L355-Y389 HydrophobicContact CD1-CD2 3.38Å; L355-Y389 HydrophobicContact CD1-CE1 4.24Å; L355-Y389 HydrophobicContact CD1-CE2 3.18Å; L355-Y389 HydrophobicContact CD1-CG 3.96Å; L355-Y389 HydrophobicContact CD2-CE2 4.32Å; L355-Y389 HydrophobicContact CG-CD2 4.25Å; L355-Y389 HydrophobicContact CG-CE2 3.62Å; L355-L421 HydrophobicContact CB-CD2 3.79Å; L355-L421 HydrophobicContact CD1-CD2 3.83Å
356F83.2Confident79.7Confident55 Ų5525.8 Ų25.824%0.24115%0.149CC..Hα-helixtrans-59.4-42.7178.8-74.2-72.6000111.7E352 A353 W358 W359 H360 L421 L440 V442E352-F356 VanDerWaalsContact O-CD2 3.27Å; E352-F356 WeakPolarHBondContact O-CD2 3.14Å; E352-F356 PolarHBondContact O-N 2.99Å; E352-F356 VanDerWaalsContact O-N 3.07Å; A353-F356 PolarHBondContact O-N 3.34Å; F356-W358 PolarHBondContact O-N 2.72Å; F356-W359 PolarHBondContact O-N 3.2Å; F356-H360 WeakPolarHBondContact O-CB 3.49Å; F356-H360 PolarHBondContact O-N 3.06Å; F356-L421 HydrophobicContact CD1-CD1 4.04Å; F356-L421 HydrophobicContact CD1-CD2 4.32Å; F356-L421 HydrophobicContact CE1-CB 4.29Å; F356-L421 HydrophobicContact CE1-CD1 3.79Å; F356-L421 HydrophobicContact CE1-CD2 4.11Å; F356-L421 HydrophobicContact CE1-CG 4.28Å; F356-L421 HydrophobicContact CE2-CD2 4.39Å; F356-L421 HydrophobicContact CZ-CB 4.24Å; F356-L421 HydrophobicContact CZ-CD1 4.5Å; F356-L421 HydrophobicContact CZ-CD2 4.14Å; F356-L440 HydrophobicContact CE1-CD1 4.07Å; F356-L440 HydrophobicContact CZ-CD1 4.49Å; F356-V442 HydrophobicContact CD1-CG2 4.25Å; F356-V442 HydrophobicContact CE1-CG2 4.26Å
357A84.9Confident79.6Confident0 Ų025.5 Ų25.50%015%0.15CC..Hα-helixtrans-62.8-38.6173.900000113.1L310 F313 I314 L341 A353 L355 F361L310-A357 HydrophobicContact CB-CB 4.09Å; L310-A357 HydrophobicContact CD2-CB 3.86Å; F313-A357 HydrophobicContact CD1-CB 3.99Å; F313-A357 HydrophobicContact CE1-CB 4.31Å; I314-A357 HydrophobicContact CD1-CB 3.96Å; I314-A357 HydrophobicContact CG1-CB 3.92Å; L341-A357 HydrophobicContact CD2-CB 4.02Å; A353-A357 WeakPolarHBondContact O-CB 3.4Å; A353-A357 PolarHBondContact O-N 2.77Å; L355-A357 VanDerWaalsContact C-N 3.31Å; L355-A357 PolarHBondContact O-N 3.48Å; A357-F361 WeakPolarHBondContact O-CB 3.47Å; A357-F361 PolarHBondContact O-N 3.09Å
358W88.5Confident79.4Confident9 Ų928.4 Ų28.43%0.03416%0.163CC..Hα-helixtrans-69.4-44177.3-163.9-19.3000111.7F338 L341 R354 L355 F356 H360 F361 I362 F377 P380 F381 N384F338-W358 AromaticContact CE2-CE2 3.7Å; F338-W358 AromaticContact CE2-CZ2 3.85Å; F338-W358 HydrophobicContact CE2-CZ2 3.85Å; F338-W358 AromaticContact CE2-NE1 3.49Å; F338-W358 AromaticContact CZ-CZ2 3.8Å; F338-W358 HydrophobicContact CZ-CZ2 3.8Å; L341-W358 HydrophobicContact CB-CD2 4.45Å; L341-W358 HydrophobicContact CD1-CB 3.99Å; L341-W358 HydrophobicContact CD1-CG 3.88Å; L341-W358 HydrophobicContact CD2-CB 4.06Å; L341-W358 HydrophobicContact CG-CB 4.5Å; R354-W358 VanDerWaalsContact O-CB 3.25Å; R354-W358 WeakPolarHBondContact O-CB 3.36Å; R354-W358 PolarHBondContact O-N 2.69Å; L355-W358 PolarHBondContact O-N 2.86Å; L355-W358 VanDerWaalsContact O-N 3.09Å; F356-W358 PolarHBondContact O-N 2.72Å; W358-H360 PolarHBondContact O-N 3.34Å; W358-F361 WeakPolarHBondContact O-CB 3.37Å; W358-F361 PolarHBondContact O-N 3.37Å; W358-F361 VanDerWaalsContact O-N 3.14Å; W358-I362 WeakPolarHBondContact O-CG1 3.34Å; W358-I362 PolarHBondContact O-N 3.4Å; W358-F377 PolarHBondContact NE1-O 3.32Å; W358-P380 VanDerWaalsContact CH2-C 3.43Å; W358-P380 HydrophobicContact CH2-CB 3.97Å; W358-P380 VanDerWaalsContact CH2-O 3.24Å; W358-P380 WeakPolarHBondContact CH2-O 3.36Å; W358-P380 VanDerWaalsContact CZ2-C 3.47Å; W358-P380 HydrophobicContact CZ2-CB 3.88Å; W358-F381 HydrophobicContact CB-CD2 3.89Å; W358-F381 HydrophobicContact CB-CE2 4.29Å; W358-F381 AromaticContact CD1-CD2 3.97Å; W358-F381 HydrophobicContact CD2-CB 4.06Å; W358-F381 AromaticContact CD2-CD2 3.89Å; W358-F381 HydrophobicContact CD2-CD2 3.89Å; W358-F381 HydrophobicContact CD2-CG 4.49Å; W358-F381 HydrophobicContact CE3-CD2 4.38Å; W358-F381 HydrophobicContact CG-CB 4.31Å; W358-F381 AromaticContact CG-CD2 3.66Å; W358-F381 HydrophobicContact CG-CD2 3.66Å; W358-F381 HydrophobicContact CG-CG 4.43Å; W358-F381 HydrophobicContact CZ2-CB 3.98Å; W358-F381 VanDerWaalsContact CZ2-N 3.26Å; W358-N384 HydrophobicContact CH2-CB 4.42Å; W358-N384 HydrophobicContact CZ3-CB 4.02Å
359W86.9Confident79.5Confident0 Ų027.1 Ų27.10%016%0.157CC..Hα-helixtrans-60.5-45.3174.5-175.9-105.2000111.7L355 F356 F361 I362 C363 L378 F381 H424 V425 C428 F429 V442 P443 L445L355-W359 PolarHBondContact O-N 2.97Å; F356-W359 PolarHBondContact O-N 3.2Å; W359-F361 VanDerWaalsContact C-N 3.27Å; W359-F361 PolarHBondContact O-N 3.3Å; W359-I362 PolarHBondContact O-N 3.16Å; W359-I362 VanDerWaalsContact O-N 3.15Å; W359-C363 PolarHBondContact NE1-SG 3.12Å; W359-C363 VanDerWaalsContact NE1-SG 3.4Å; W359-C363 PolarHBondContact O-N 3.08Å; W359-C363 PolarHBondContact O-SG 3.29Å; W359-L378 HydrophobicContact CZ3-CD1 4.48Å; W359-F381 HydrophobicContact CB-CE2 3.99Å; W359-F381 HydrophobicContact CB-CZ 3.96Å; W359-F381 HydrophobicContact CD2-CE1 4.46Å; W359-F381 HydrophobicContact CD2-CZ 4.24Å; W359-F381 HydrophobicContact CE3-CD1 4.15Å; W359-F381 AromaticContact CE3-CE1 3.44Å; W359-F381 HydrophobicContact CE3-CE1 3.44Å; W359-F381 VanDerWaalsContact CE3-CE1 3.44Å; W359-F381 HydrophobicContact CE3-CE2 4.42Å; W359-F381 AromaticContact CE3-CZ 3.6Å; W359-F381 HydrophobicContact CE3-CZ 3.6Å; W359-F381 HydrophobicContact CG-CZ 4.42Å; W359-F381 HydrophobicContact CZ3-CD1 4.44Å; W359-F381 AromaticContact CZ3-CE1 3.87Å; W359-F381 HydrophobicContact CZ3-CE1 3.87Å; W359-F381 HydrophobicContact CZ3-CZ 4.45Å; W359-H424 AromaticContact NE1-CD2 3.67Å; W359-H424 AromaticContact NE1-NE2 3.66Å; W359-V425 HydrophobicContact CD2-CG2 3.91Å; W359-V425 HydrophobicContact CE3-CG2 3.79Å; W359-V425 HydrophobicContact CH2-CB 4.28Å; W359-V425 HydrophobicContact CH2-CG1 4Å; W359-V425 HydrophobicContact CH2-CG2 4.13Å; W359-V425 HydrophobicContact CZ2-CG2 4.27Å; W359-V425 HydrophobicContact CZ3-CB 4.34Å; W359-V425 HydrophobicContact CZ3-CG1 3.86Å; W359-V425 HydrophobicContact CZ3-CG2 3.9Å; W359-C428 HydrophobicContact CH2-CB 4.25Å; W359-C428 HydrophobicContact CZ2-CB 3.82Å; W359-F429 AromaticContact CH2-CE2 3.93Å; W359-F429 HydrophobicContact CH2-CE2 3.93Å; W359-F429 HydrophobicContact CH2-CZ 4.06Å; W359-F429 HydrophobicContact CZ3-CE2 4.12Å; W359-F429 HydrophobicContact CZ3-CZ 4.16Å; W359-V442 VanDerWaalsContact CD1-CG1 3.45Å; W359-P443 PolarHBondContact NE1-O 2.86Å; W359-P443 VanDerWaalsContact NE1-O 3.12Å; W359-L445 HydrophobicContact CH2-CB 4.08Å; W359-L445 HydrophobicContact CH2-CD2 3.93Å; W359-L445 HydrophobicContact CZ2-CB 3.9Å; W359-L445 HydrophobicContact CZ3-CD2 4.35Å
360H86.2Confident79.4Confident32 Ų3225.1 Ų25.115%0.14814%0.139CC..Hα-helixtrans-60.7-35.3174.8-166.2-49.8000112.5I314 T318 F356 W358 C364 P443I314-H360 HydrophobicContact CG1-CB 4.3Å; T318-H360 PolarHBondContact OG1-CE1 2.77Å; T318-H360 PolarHBondContact OG1-NE2 2.98Å; F356-H360 WeakPolarHBondContact O-CB 3.49Å; F356-H360 PolarHBondContact O-N 3.06Å; W358-H360 PolarHBondContact O-N 3.34Å; H360-C364 PolarHBondContact O-N 2.73Å; H360-C364 PolarHBondContact O-SG 3.28Å; H360-P443 HydrophobicContact CB-CG 4.24Å
361F86.7Confident79Confident1 Ų127.6 Ų27.60%0.00415%0.152CC..Hα-helixtrans-65.5-45.7173.3176.2-99.3000112.1F313 V317 L334 L337 F338 L341 A357 W358 W359 C363 C364 L365 F377F313-F361 HydrophobicContact CE1-CB 3.89Å; F313-F361 HydrophobicContact CE1-CD2 4.37Å; F313-F361 HydrophobicContact CE1-CG 4.43Å; F313-F361 HydrophobicContact CE2-CD2 4.46Å; F313-F361 HydrophobicContact CZ-CB 3.93Å; F313-F361 AromaticContact CZ-CD2 3.64Å; F313-F361 HydrophobicContact CZ-CD2 3.64Å; F313-F361 HydrophobicContact CZ-CE2 4.42Å; F313-F361 AromaticContact CZ-CG 3.97Å; F313-F361 HydrophobicContact CZ-CG 3.97Å; V317-F361 HydrophobicContact CG1-CD2 4.25Å; V317-F361 HydrophobicContact CG2-CD2 3.97Å; L334-F361 HydrophobicContact CB-CE2 4.47Å; L334-F361 HydrophobicContact CB-CZ 4.37Å; L334-F361 HydrophobicContact CD2-CE2 3.89Å; L334-F361 HydrophobicContact CD2-CZ 4.49Å; L334-F361 WeakPolarHBondContact O-CZ 3.35Å; L337-F361 HydrophobicContact CB-CE2 4.16Å; F338-F361 HydrophobicContact CB-CE1 4.14Å; F338-F361 HydrophobicContact CB-CZ 3.99Å; F338-F361 HydrophobicContact CD2-CD1 4.17Å; F338-F361 AromaticContact CD2-CE1 3.72Å; F338-F361 HydrophobicContact CD2-CE1 3.72Å; F338-F361 HydrophobicContact CD2-CZ 4.4Å; F338-F361 HydrophobicContact CG-CE1 4.25Å; L341-F361 HydrophobicContact CD1-CB 3.79Å; L341-F361 HydrophobicContact CD1-CD1 3.92Å; L341-F361 HydrophobicContact CD1-CG 3.87Å; A357-F361 WeakPolarHBondContact O-CB 3.47Å; A357-F361 PolarHBondContact O-N 3.09Å; W358-F361 WeakPolarHBondContact O-CB 3.37Å; W358-F361 PolarHBondContact O-N 3.37Å; W358-F361 VanDerWaalsContact O-N 3.14Å; W359-F361 VanDerWaalsContact C-N 3.27Å; W359-F361 PolarHBondContact O-N 3.3Å; F361-C363 VanDerWaalsContact C-N 3.32Å; F361-C363 PolarHBondContact O-N 3.42Å; F361-C364 PolarHBondContact O-N 3.48Å; F361-L365 HydrophobicContact CD1-CD1 4.39Å; F361-L365 HydrophobicContact CE1-CD1 4Å; F361-L365 HydrophobicContact CE1-CD2 4.06Å; F361-L365 HydrophobicContact CE1-CG 4.29Å; F361-L365 HydrophobicContact CE2-CD2 4.34Å; F361-L365 HydrophobicContact CZ-CD2 3.86Å; F361-L365 PolarHBondContact O-N 3.35Å; F361-F377 AromaticContact CE1-CD1 3.8Å; F361-F377 HydrophobicContact CE1-CD1 3.8Å; F361-F377 HydrophobicContact CE1-CE1 4.08Å; F361-F377 HydrophobicContact CE1-CG 4.4Å; F361-F377 HydrophobicContact CZ-CE1 4.35Å
362I85.1Confident78.4Confident0 Ų032.8 Ų32.80%018%0.179CC..Hα-helixtrans-59.7-42.9177.1-68.1163.2000110.7W358 W359 C364 L365 L370 L378 F381 L445W358-I362 WeakPolarHBondContact O-CG1 3.34Å; W358-I362 PolarHBondContact O-N 3.4Å; W359-I362 PolarHBondContact O-N 3.16Å; W359-I362 VanDerWaalsContact O-N 3.15Å; I362-C364 PolarHBondContact O-N 3.47Å; I362-C364 VanDerWaalsContact O-N 3.13Å; I362-L365 PolarHBondContact O-N 3.44Å; I362-L370 HydrophobicContact CG2-CD2 3.96Å; I362-L378 HydrophobicContact CD1-CB 4.5Å; I362-L378 HydrophobicContact CD1-CD1 4.07Å; I362-F381 HydrophobicContact CD1-CB 3.61Å; I362-F381 HydrophobicContact CD1-CD1 4.07Å; I362-F381 HydrophobicContact CD1-CD2 4.1Å; I362-F381 HydrophobicContact CD1-CG 3.66Å; I362-L445 HydrophobicContact CG2-CD1 3.98Å; I362-L445 HydrophobicContact CG2-CD2 3.86Å
363C82.8Confident78Confident26 Ų2631.7 Ų31.718%0.17617%0.174CC..THydrogen-bonded Turntrans-66.7-7.9175.9-58.70000114.7W359 F361 P443W359-C363 PolarHBondContact NE1-SG 3.12Å; W359-C363 VanDerWaalsContact NE1-SG 3.4Å; W359-C363 PolarHBondContact O-N 3.08Å; W359-C363 PolarHBondContact O-SG 3.29Å; F361-C363 VanDerWaalsContact C-N 3.32Å; F361-C363 PolarHBondContact O-N 3.42Å; C363-P443 HydrophobicContact CB-CB 3.86Å; C363-P443 HydrophobicContact CB-CG 4.06Å; C363-P443 PolarHBondContact SG-O 3.48Å
364C79.7Confident77.7Confident23 Ų2331.2 Ų31.216%0.15517%0.169CC..THydrogen-bonded Turntrans-1128.6178.5-68.20000113.3V317 H360 F361 I362V317-C364 HydrophobicContact CG1-CB 3.47Å; V317-C364 VanDerWaalsContact CG1-CB 3.47Å; H360-C364 PolarHBondContact O-N 2.73Å; H360-C364 PolarHBondContact O-SG 3.28Å; F361-C364 PolarHBondContact O-N 3.48Å; I362-C364 PolarHBondContact O-N 3.47Å; I362-C364 VanDerWaalsContact O-N 3.13Å
365L78Confident77.2Confident13 Ų1335.9 Ų35.97%0.06819%0.186CC..SBendtrans-90.2139.8174.6-67.1177.9000111.1L334 F361 I362 L370 F377L334-L365 HydrophobicContact CB-CD2 4.25Å; L334-L365 HydrophobicContact CD1-CD2 3.89Å; L334-L365 HydrophobicContact CD2-CD2 4.15Å; L334-L365 HydrophobicContact CG-CD2 4.32Å; F361-L365 HydrophobicContact CD1-CD1 4.39Å; F361-L365 HydrophobicContact CE1-CD1 4Å; F361-L365 HydrophobicContact CE1-CD2 4.06Å; F361-L365 HydrophobicContact CE1-CG 4.29Å; F361-L365 HydrophobicContact CE2-CD2 4.34Å; F361-L365 HydrophobicContact CZ-CD2 3.86Å; F361-L365 PolarHBondContact O-N 3.35Å; I362-L365 PolarHBondContact O-N 3.44Å; L365-L370 HydrophobicContact CB-CD1 4.28Å; L365-L370 HydrophobicContact CB-CD2 3.89Å; L365-L370 HydrophobicContact CB-CG 3.78Å; L365-L370 HydrophobicContact CD1-CD2 3.77Å; L365-L370 HydrophobicContact CD1-CG 4.45Å; L365-L370 HydrophobicContact CG-CD2 4.43Å; L365-F377 HydrophobicContact CD1-CB 3.99Å; L365-F377 HydrophobicContact CD1-CD1 4.4Å; L365-F377 HydrophobicContact CD1-CD2 3.49Å; L365-F377 VanDerWaalsContact CD1-CD2 3.49Å; L365-F377 HydrophobicContact CD1-CE2 3.99Å; L365-F377 HydrophobicContact CD1-CG 3.72Å
366N71.9Confident76.9Confident84 Ų8440.4 Ų40.445%0.44921%0.206SC..  trans-58.5149.6170.2-61.622.4000111D368 L369 L370N366-D368 PolarHBondContact O-N 3.4Å; N366-D368 VanDerWaalsContact O-N 3.15Å; N366-L369 HydrophobicContact CB-CD1 4.34Å; N366-L369 HydrophobicContact CB-CG 4.42Å; N366-L369 WeakPolarHBondContact O-CB 3.27Å; N366-L369 PolarHBondContact O-N 3.08Å; N366-L370 PolarHBondContact O-N 2.96Å
367S68.9Low76.8Confident67 Ų6738 Ų3847%0.46920%0.195SC..Hα-helixtrans-40.7-50.7172.244.40000113.1L369 L370 I371S367-L369 VanDerWaalsContact C-N 3.31Å; S367-L369 PolarHBondContact O-N 2.94Å; S367-L370 CarbonylContact O-C 3.59Å; S367-L370 WeakPolarHBondContact O-CA 3.19Å; S367-L370 WeakPolarHBondContact O-CB 3.43Å; S367-L370 PolarHBondContact O-N 3.45Å; S367-I371 WeakPolarHBondContact O-CG1 3.46Å; S367-I371 PolarHBondContact O-N 3.22Å
368D68.3Low76.6Confident106 Ų10638 Ų3857%0.56720%0.195SC*.Hα-helixtrans-68.7-35.3-172.2-37.3-23.6000110.7N366 L370 I371 D372N366-D368 PolarHBondContact O-N 3.4Å; N366-D368 VanDerWaalsContact O-N 3.15Å; D368-L370 VanDerWaalsContact C-N 3.33Å; D368-I371 PolarHBondContact O-N 3.4Å; D368-D372 PolarHBondContact O-N 3.03Å
369L72.2Confident76Confident33 Ų3339.7 Ų39.717%0.17321%0.209CC..Hα-helixtrans-74.8-22174.6-66.2175000112.7P331 L334 N366 S367 G373P331-L369 HydrophobicContact CB-CD1 4.4Å; P331-L369 HydrophobicContact CB-CD2 3.85Å; P331-L369 HydrophobicContact CG-CD1 4.34Å; P331-L369 HydrophobicContact CG-CD2 4.12Å; L334-L369 HydrophobicContact CD1-CD1 3.68Å; N366-L369 HydrophobicContact CB-CD1 4.34Å; N366-L369 HydrophobicContact CB-CG 4.42Å; N366-L369 WeakPolarHBondContact O-CB 3.27Å; N366-L369 PolarHBondContact O-N 3.08Å; S367-L369 VanDerWaalsContact C-N 3.31Å; S367-L369 PolarHBondContact O-N 2.94Å; L369-G373 WeakPolarHBondContact O-CA 3.25Å; L369-G373 PolarHBondContact O-N 3.26Å; L369-G373 VanDerWaalsContact O-N 3.1Å
370L72.6Confident75.7Confident9 Ų941.9 Ų41.95%0.04722%0.223CC..Hα-helixtrans-80.1-36.6170.3-70.7167.4000111.6I362 L365 N366 S367 D368 G373 F374 L445 L451I362-L370 HydrophobicContact CG2-CD2 3.96Å; L365-L370 HydrophobicContact CB-CD1 4.28Å; L365-L370 HydrophobicContact CB-CD2 3.89Å; L365-L370 HydrophobicContact CB-CG 3.78Å; L365-L370 HydrophobicContact CD1-CD2 3.77Å; L365-L370 HydrophobicContact CD1-CG 4.45Å; L365-L370 HydrophobicContact CG-CD2 4.43Å; N366-L370 PolarHBondContact O-N 2.96Å; S367-L370 CarbonylContact O-C 3.59Å; S367-L370 WeakPolarHBondContact O-CA 3.19Å; S367-L370 WeakPolarHBondContact O-CB 3.43Å; S367-L370 PolarHBondContact O-N 3.45Å; D368-L370 VanDerWaalsContact C-N 3.33Å; L370-G373 CarbonylContact O-C 3.43Å; L370-G373 PolarHBondContact O-N 2.86Å; L370-F374 WeakPolarHBondContact O-CA 3.49Å; L370-F374 PolarHBondContact O-N 3.14Å; L370-L445 HydrophobicContact CD1-CD1 3.96Å; L370-L451 HydrophobicContact CB-CD2 4.24Å
371I67Low75.7Confident53 Ų5340.3 Ų40.327%0.27222%0.216SC..Hα-helixtrans-66.8-60175.5-65.4161.7000110.5S367 D368 G373 L451S367-I371 WeakPolarHBondContact O-CG1 3.46Å; S367-I371 PolarHBondContact O-N 3.22Å; D368-I371 PolarHBondContact O-N 3.4Å; I371-G373 PolarHBondContact O-N 3.47Å; I371-G373 VanDerWaalsContact O-N 3.14Å; I371-L451 HydrophobicContact CB-CD1 4.27Å; I371-L451 HydrophobicContact CG1-CD1 3.84Å
372D64.4Low75.4Confident114 Ų11440.5 Ų40.561%0.6122%0.216SC*.THydrogen-bonded Turntrans-66.4-16.4175.7-96.84.5000112.9D368 K376D368-D372 PolarHBondContact O-N 3.03Å; D372-K376 PolarHBondContact O-NZ 3.3Å
373G66.8Low74.9Confident1 Ų142.1 Ų42.11%0.0123%0.23CC..THydrogen-bonded Turntrans-114.64.7-170.800000116.2L369 L370 I371 R375 K376 F377L369-G373 WeakPolarHBondContact O-CA 3.25Å; L369-G373 PolarHBondContact O-N 3.26Å; L369-G373 VanDerWaalsContact O-N 3.1Å; L370-G373 CarbonylContact O-C 3.43Å; L370-G373 PolarHBondContact O-N 2.86Å; I371-G373 PolarHBondContact O-N 3.47Å; I371-G373 VanDerWaalsContact O-N 3.14Å; G373-R375 VanDerWaalsContact C-N 3.31Å; G373-R375 PolarHBondContact O-N 2.94Å; G373-K376 CarbonylContact O-C 3.37Å; G373-K376 WeakPolarHBondContact O-CA 3.5Å; G373-K376 WeakPolarHBondContact O-CB 3.37Å; G373-K376 PolarHBondContact O-N 3.09Å; G373-F377 WeakPolarHBondContact O-CD2 3.2Å; G373-F377 PolarHBondContact O-N 3.46Å
374F73.1Confident74.7Confident8 Ų841.9 Ų41.94%0.03523%0.227CC..Iπ-helixtrans-53-49.9-178.4-171.6-79.2000111.2L370 K376 L378 S379 L382 L451 N455 P458L370-F374 WeakPolarHBondContact O-CA 3.49Å; L370-F374 PolarHBondContact O-N 3.14Å; F374-K376 PolarHBondContact O-N 2.92Å; F374-L378 HydrophobicContact CD2-CB 4.28Å; F374-L378 HydrophobicContact CD2-CD2 3.71Å; F374-L378 HydrophobicContact CD2-CG 4.21Å; F374-L378 HydrophobicContact CE2-CB 4.36Å; F374-L378 HydrophobicContact CE2-CD2 3.34Å; F374-L378 HydrophobicContact CE2-CG 3.82Å; F374-L378 HydrophobicContact CZ-CD2 4.05Å; F374-L378 HydrophobicContact CZ-CG 4.06Å; F374-L378 PolarHBondContact O-N 2.82Å; F374-L378 VanDerWaalsContact O-N 3.08Å; F374-S379 PolarHBondContact O-N 3.4Å; F374-L382 HydrophobicContact CZ-CD1 4.12Å; F374-L451 HydrophobicContact CB-CD1 4.41Å; F374-L451 HydrophobicContact CD2-CD1 4.12Å; F374-L451 HydrophobicContact CD2-CD2 4.11Å; F374-L451 HydrophobicContact CD2-CG 4.06Å; F374-N455 HydrophobicContact CD1-CB 4.18Å; F374-N455 WeakPolarHBondContact CD1-OD1 3.35Å; F374-N455 HydrophobicContact CD2-CB 3.9Å; F374-N455 HydrophobicContact CE1-CB 3.79Å; F374-N455 WeakPolarHBondContact CE1-OD1 3.02Å; F374-N455 HydrophobicContact CE2-CB 3.46Å; F374-N455 VanDerWaalsContact CE2-CB 3.46Å; F374-N455 HydrophobicContact CG-CB 4.25Å; F374-N455 VanDerWaalsContact CG-OD1 3.29Å; F374-N455 WeakPolarHBondContact CG-OD1 3.35Å; F374-N455 HydrophobicContact CZ-CB 3.42Å; F374-N455 VanDerWaalsContact CZ-CB 3.42Å; F374-P458 HydrophobicContact CE1-CG 4.04Å; F374-P458 HydrophobicContact CZ-CG 4.19Å
375R72.4Confident74.6Confident117 Ų11740.8 Ų40.844%0.44222%0.22SC..Iπ-helixtrans-65.7-18.9175.5-66.1-169-178.8-143-6.8114.6G373 F524 Q525G373-R375 VanDerWaalsContact C-N 3.31Å; G373-R375 PolarHBondContact O-N 2.94Å; R375-F524 VanDerWaalsContact NH2-C 3.27Å; R375-F524 PolarHBondContact NH2-O 2.85Å; R375-Q525 PolarHBondContact NH1-O 3.05Å; R375-Q525 VanDerWaalsContact NH2-C 3.34Å; R375-Q525 PolarHBondContact NH2-O 3.38Å
376K75.2Confident74.4Confident97 Ų9740.7 Ų40.742%0.42222%0.219SC..Iπ-helixtrans-90.4-41.4-178.4-55.2-176.2-174.71070112F338 D372 G373 F374F338-K376 WeakPolarHBondContact CE1-O 3.5Å; F338-K376 WeakPolarHBondContact CZ-O 3.42Å; D372-K376 PolarHBondContact O-NZ 3.3Å; G373-K376 CarbonylContact O-C 3.37Å; G373-K376 WeakPolarHBondContact O-CA 3.5Å; G373-K376 WeakPolarHBondContact O-CB 3.37Å; G373-K376 PolarHBondContact O-N 3.09Å; F374-K376 PolarHBondContact O-N 2.92Å
377F80.5Confident74.3Confident4 Ų437.8 Ų37.82%0.01821%0.209CC..Iπ-helixtrans-114.3-48.7-167.4-53.8-58.1000113.6L335 F338 W358 F361 L365 G373L335-F377 HydrophobicContact CD1-CZ 3.82Å; L335-F377 HydrophobicContact CG-CZ 4.22Å; F338-F377 HydrophobicContact CB-CD1 4.36Å; F338-F377 HydrophobicContact CB-CE1 4.01Å; F338-F377 AromaticContact CD1-CD1 3.83Å; F338-F377 HydrophobicContact CD1-CD1 3.83Å; F338-F377 AromaticContact CD1-CE1 3.9Å; F338-F377 HydrophobicContact CD1-CE1 3.9Å; F338-F377 AromaticContact CD2-CD1 3.81Å; F338-F377 HydrophobicContact CD2-CD1 3.81Å; F338-F377 HydrophobicContact CD2-CE1 4.31Å; F338-F377 HydrophobicContact CE1-CD1 4.03Å; F338-F377 HydrophobicContact CE1-CE1 4.48Å; F338-F377 HydrophobicContact CE2-CD1 4.04Å; F338-F377 AromaticContact CG-CD1 3.72Å; F338-F377 HydrophobicContact CG-CD1 3.72Å; F338-F377 AromaticContact CG-CE1 3.8Å; F338-F377 HydrophobicContact CG-CE1 3.8Å; F338-F377 HydrophobicContact CZ-CD1 4.15Å; W358-F377 PolarHBondContact NE1-O 3.32Å; F361-F377 AromaticContact CE1-CD1 3.8Å; F361-F377 HydrophobicContact CE1-CD1 3.8Å; F361-F377 HydrophobicContact CE1-CE1 4.08Å; F361-F377 HydrophobicContact CE1-CG 4.4Å; F361-F377 HydrophobicContact CZ-CE1 4.35Å; L365-F377 HydrophobicContact CD1-CB 3.99Å; L365-F377 HydrophobicContact CD1-CD1 4.4Å; L365-F377 HydrophobicContact CD1-CD2 3.49Å; L365-F377 VanDerWaalsContact CD1-CD2 3.49Å; L365-F377 HydrophobicContact CD1-CE2 3.99Å; L365-F377 HydrophobicContact CD1-CG 3.72Å; G373-F377 WeakPolarHBondContact O-CD2 3.2Å; G373-F377 PolarHBondContact O-N 3.46Å
378L80.9Confident74.2Confident1 Ų137.4 Ų37.41%0.00520%0.197CC..Iπ-helixtrans-92.9-42.8-170.9176.953000112.9W359 I362 F374 F381 L382 F429W359-L378 HydrophobicContact CZ3-CD1 4.48Å; I362-L378 HydrophobicContact CD1-CB 4.5Å; I362-L378 HydrophobicContact CD1-CD1 4.07Å; F374-L378 HydrophobicContact CD2-CB 4.28Å; F374-L378 HydrophobicContact CD2-CD2 3.71Å; F374-L378 HydrophobicContact CD2-CG 4.21Å; F374-L378 HydrophobicContact CE2-CB 4.36Å; F374-L378 HydrophobicContact CE2-CD2 3.34Å; F374-L378 HydrophobicContact CE2-CG 3.82Å; F374-L378 HydrophobicContact CZ-CD2 4.05Å; F374-L378 HydrophobicContact CZ-CG 4.06Å; F374-L378 PolarHBondContact O-N 2.82Å; F374-L378 VanDerWaalsContact O-N 3.08Å; L378-F381 HydrophobicContact CD1-CD1 4Å; L378-F381 WeakPolarHBondContact O-CA 3.45Å; L378-F381 WeakPolarHBondContact O-CB 3.36Å; L378-F381 PolarHBondContact O-N 3.5Å; L378-F381 VanDerWaalsContact O-N 3.07Å; L378-L382 HydrophobicContact CD1-CD1 4.05Å; L378-L382 HydrophobicContact CD1-CD2 4.33Å; L378-L382 HydrophobicContact CD1-CG 3.84Å; L378-L382 HydrophobicContact CG-CD1 4.08Å; L378-L382 HydrophobicContact CG-CG 4.36Å; L378-L382 WeakPolarHBondContact O-CG 3.29Å; L378-L382 PolarHBondContact O-N 2.96Å; L378-F429 HydrophobicContact CD1-CZ 3.89Å; L378-F429 HydrophobicContact CD2-CE1 3.88Å; L378-F429 HydrophobicContact CD2-CZ 3.68Å; L378-F429 HydrophobicContact CG-CZ 4.37Å
379S77.5Confident74.2Confident45 Ų4532.5 Ų32.532%0.31517%0.171SC..Hα-helixtrans-57.6-42.4174.4172.50000113F374 F381 L382 A383F374-S379 PolarHBondContact O-N 3.4Å; S379-F381 VanDerWaalsContact C-N 3.34Å; S379-L382 PolarHBondContact O-N 3.15Å; S379-A383 WeakPolarHBondContact O-CB 3.45Å; S379-A383 PolarHBondContact O-N 3.19Å
380P80.4Confident73.9Confident45 Ų4530.9 Ų30.929%0.29216%0.162SC..Hα-helixtrans-75.6-21175.7-13.931.1000113.2W358 N384W358-P380 VanDerWaalsContact CH2-C 3.43Å; W358-P380 HydrophobicContact CH2-CB 3.97Å; W358-P380 VanDerWaalsContact CH2-O 3.24Å; W358-P380 WeakPolarHBondContact CH2-O 3.36Å; W358-P380 VanDerWaalsContact CZ2-C 3.47Å; W358-P380 HydrophobicContact CZ2-CB 3.88Å; P380-N384 VanDerWaalsContact O-CB 3.24Å; P380-N384 WeakPolarHBondContact O-CB 3.48Å; P380-N384 PolarHBondContact O-N 3.14Å; P380-N384 VanDerWaalsContact O-N 3.1Å
381F84.4Confident73.4Confident0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-67.8-53.8168.5170.7-97.7000110.1L355 W358 W359 I362 L378 S379 A383 N384 L385 V425L355-F381 HydrophobicContact CD2-CD2 4.09Å; L355-F381 HydrophobicContact CD2-CE2 3.82Å; W358-F381 HydrophobicContact CB-CD2 3.89Å; W358-F381 HydrophobicContact CB-CE2 4.29Å; W358-F381 AromaticContact CD1-CD2 3.97Å; W358-F381 HydrophobicContact CD2-CB 4.06Å; W358-F381 AromaticContact CD2-CD2 3.89Å; W358-F381 HydrophobicContact CD2-CD2 3.89Å; W358-F381 HydrophobicContact CD2-CG 4.49Å; W358-F381 HydrophobicContact CE3-CD2 4.38Å; W358-F381 HydrophobicContact CG-CB 4.31Å; W358-F381 AromaticContact CG-CD2 3.66Å; W358-F381 HydrophobicContact CG-CD2 3.66Å; W358-F381 HydrophobicContact CG-CG 4.43Å; W358-F381 HydrophobicContact CZ2-CB 3.98Å; W358-F381 VanDerWaalsContact CZ2-N 3.26Å; W359-F381 HydrophobicContact CB-CE2 3.99Å; W359-F381 HydrophobicContact CB-CZ 3.96Å; W359-F381 HydrophobicContact CD2-CE1 4.46Å; W359-F381 HydrophobicContact CD2-CZ 4.24Å; W359-F381 HydrophobicContact CE3-CD1 4.15Å; W359-F381 AromaticContact CE3-CE1 3.44Å; W359-F381 HydrophobicContact CE3-CE1 3.44Å; W359-F381 VanDerWaalsContact CE3-CE1 3.44Å; W359-F381 HydrophobicContact CE3-CE2 4.42Å; W359-F381 AromaticContact CE3-CZ 3.6Å; W359-F381 HydrophobicContact CE3-CZ 3.6Å; W359-F381 HydrophobicContact CG-CZ 4.42Å; W359-F381 HydrophobicContact CZ3-CD1 4.44Å; W359-F381 AromaticContact CZ3-CE1 3.87Å; W359-F381 HydrophobicContact CZ3-CE1 3.87Å; W359-F381 HydrophobicContact CZ3-CZ 4.45Å; I362-F381 HydrophobicContact CD1-CB 3.61Å; I362-F381 HydrophobicContact CD1-CD1 4.07Å; I362-F381 HydrophobicContact CD1-CD2 4.1Å; I362-F381 HydrophobicContact CD1-CG 3.66Å; L378-F381 HydrophobicContact CD1-CD1 4Å; L378-F381 WeakPolarHBondContact O-CA 3.45Å; L378-F381 WeakPolarHBondContact O-CB 3.36Å; L378-F381 PolarHBondContact O-N 3.5Å; L378-F381 VanDerWaalsContact O-N 3.07Å; S379-F381 VanDerWaalsContact C-N 3.34Å; F381-A383 VanDerWaalsContact C-N 3.31Å; F381-A383 PolarHBondContact O-N 3.38Å; F381-N384 PolarHBondContact O-N 3.47Å; F381-L385 HydrophobicContact CE1-CD2 3.97Å; F381-L385 HydrophobicContact CZ-CD2 4.34Å; F381-L385 WeakPolarHBondContact O-CB 3.2Å; F381-L385 PolarHBondContact O-N 2.95Å; F381-V425 HydrophobicContact CE1-CG1 4.26Å; F381-V425 HydrophobicContact CE1-CG2 3.94Å; F381-V425 HydrophobicContact CZ-CG2 3.97Å
382L80.7Confident72.9Confident4 Ų429.4 Ų29.42%0.02116%0.155CC..Hα-helixtrans-57-44.8177.2-68.1172.4000110.6F374 L378 S379 N384 L385 L386 V425 L459F374-L382 HydrophobicContact CZ-CD1 4.12Å; L378-L382 HydrophobicContact CD1-CD1 4.05Å; L378-L382 HydrophobicContact CD1-CD2 4.33Å; L378-L382 HydrophobicContact CD1-CG 3.84Å; L378-L382 HydrophobicContact CG-CD1 4.08Å; L378-L382 HydrophobicContact CG-CG 4.36Å; L378-L382 WeakPolarHBondContact O-CG 3.29Å; L378-L382 PolarHBondContact O-N 2.96Å; S379-L382 PolarHBondContact O-N 3.15Å; L382-N384 VanDerWaalsContact C-N 3.32Å; L382-N384 PolarHBondContact O-N 3.33Å; L382-L385 PolarHBondContact O-N 2.96Å; L382-L386 HydrophobicContact CB-CD1 4.42Å; L382-L386 WeakPolarHBondContact O-CB 3.4Å; L382-L386 WeakPolarHBondContact O-CD1 3.46Å; L382-L386 VanDerWaalsContact O-CG 3.25Å; L382-L386 WeakPolarHBondContact O-CG 3.28Å; L382-L386 PolarHBondContact O-N 3.43Å; L382-V425 HydrophobicContact CD2-CG1 4.43Å; L382-L459 HydrophobicContact CD1-CD2 4.04Å
383A75.8Confident72.1Confident35 Ų3524.4 Ų24.429%0.28913%0.128SC..Hα-helixtrans-64.5-31176.300000113.8S379 F381 G387 P1821S379-A383 WeakPolarHBondContact O-CB 3.45Å; S379-A383 PolarHBondContact O-N 3.19Å; F381-A383 VanDerWaalsContact C-N 3.31Å; F381-A383 PolarHBondContact O-N 3.38Å; A383-G387 WeakPolarHBondContact O-CA 3.44Å; A383-G387 PolarHBondContact O-N 3.45Å; A383-P1821 HydrophobicContact CB-CB 4.06Å
384N77.9Confident71.2Confident21 Ų2126.3 Ų26.311%0.11214%0.14CC..Hα-helixtrans-79.9-37.2176-178.571.5000111.9R354 L355 W358 P380 F381 L382 R388R354-N384 PolarHBondContact NH1-OD1 3.43Å; L355-N384 WeakPolarHBondContact CD2-ND2 3.38Å; W358-N384 HydrophobicContact CH2-CB 4.42Å; W358-N384 HydrophobicContact CZ3-CB 4.02Å; P380-N384 VanDerWaalsContact O-CB 3.24Å; P380-N384 WeakPolarHBondContact O-CB 3.48Å; P380-N384 PolarHBondContact O-N 3.14Å; P380-N384 VanDerWaalsContact O-N 3.1Å; F381-N384 PolarHBondContact O-N 3.47Å; L382-N384 VanDerWaalsContact C-N 3.32Å; L382-N384 PolarHBondContact O-N 3.33Å; N384-R388 WeakPolarHBondContact O-CB 3.45Å; N384-R388 PolarHBondContact O-N 2.91Å; N384-R388 VanDerWaalsContact O-N 3.07Å; N384-R388 WeakPolarHBondContact OD1-CD 3.32Å; N384-R388 PolarHBondContact OD1-NE 3.36Å
385L78.4Confident69.7Low0 Ų027.5 Ų27.50%015%0.148CC..Hα-helixtrans-61.6-53.2170.9-174.670.3000110.1L355 F381 L382 Y389 L390 V422 V425L355-L385 HydrophobicContact CD1-CD1 3.57Å; F381-L385 HydrophobicContact CE1-CD2 3.97Å; F381-L385 HydrophobicContact CZ-CD2 4.34Å; F381-L385 WeakPolarHBondContact O-CB 3.2Å; F381-L385 PolarHBondContact O-N 2.95Å; L382-L385 PolarHBondContact O-N 2.96Å; L385-Y389 WeakPolarHBondContact O-CA 3.22Å; L385-Y389 VanDerWaalsContact O-CB 3.26Å; L385-Y389 WeakPolarHBondContact O-CB 3.42Å; L385-Y389 PolarHBondContact O-N 3.29Å; L385-L390 PolarHBondContact O-N 2.98Å; L385-L390 VanDerWaalsContact O-N 3.09Å; L385-V422 HydrophobicContact CD1-CG2 3.72Å; L385-V422 HydrophobicContact CD2-CG2 4.07Å; L385-V422 HydrophobicContact CG-CG2 3.87Å; L385-V425 HydrophobicContact CD2-CB 4.5Å; L385-V425 HydrophobicContact CD2-CG1 4.21Å; L385-V425 HydrophobicContact CD2-CG2 4.35Å
386L73.4Confident68.2Low11 Ų1126.2 Ų26.26%0.05815%0.148CC..Hα-helixtrans-67.7-43179.5-72161.1000113L382 L390 S391 I392 Y465L382-L386 HydrophobicContact CB-CD1 4.42Å; L382-L386 WeakPolarHBondContact O-CB 3.4Å; L382-L386 WeakPolarHBondContact O-CD1 3.46Å; L382-L386 VanDerWaalsContact O-CG 3.25Å; L382-L386 WeakPolarHBondContact O-CG 3.28Å; L382-L386 PolarHBondContact O-N 3.43Å; L386-L390 HydrophobicContact CD2-CB 4.36Å; L386-L390 HydrophobicContact CD2-CD1 3.47Å; L386-L390 VanDerWaalsContact CD2-CD1 3.47Å; L386-L390 HydrophobicContact CG-CD1 4.4Å; L386-L390 CarbonylContact O-C 3.51Å; L386-L390 VanDerWaalsContact O-C 3.3Å; L386-S391 WeakPolarHBondContact O-CA 3.48Å; L386-S391 PolarHBondContact O-N 2.98Å; L386-I392 HydrophobicContact CB-CD1 3.64Å; L386-I392 HydrophobicContact CB-CG1 4.11Å; L386-I392 PolarHBondContact O-N 2.96Å; L386-Y465 HydrophobicContact CD2-CD2 4.25Å; L386-Y465 HydrophobicContact CD2-CG 4.43Å
387G68.9Low66.3Low22 Ų2222.9 Ų22.923%0.22714%0.14CC..Hα-helixtrans-78.7-25-175.300000115.1A383A383-G387 WeakPolarHBondContact O-CA 3.44Å; A383-G387 PolarHBondContact O-N 3.45Å
388R67.3Low64.2Low59 Ų5925.9 Ų25.922%0.22316%0.157CC..Hα-helixtrans-112.1-26.5-179.9-65.6-169.6179.1-142.8-2.8115.2N384 N410N384-R388 WeakPolarHBondContact O-CB 3.45Å; N384-R388 PolarHBondContact O-N 2.91Å; N384-R388 VanDerWaalsContact O-N 3.07Å; N384-R388 WeakPolarHBondContact OD1-CD 3.32Å; N384-R388 PolarHBondContact OD1-NE 3.36Å; R388-N410 WeakPolarHBondContact O-CB 3.37Å
389Y68.5Low62.4Low3 Ų331 Ų311%0.01219%0.19CC..THydrogen-bonded Turntrans-108.6-46.7-175.7-64.5-90.8000111.5S351 E352 L355 L385 S391 V411 A418S351-Y389 WeakPolarHBondContact CB-OH 3.42Å; S351-Y389 PolarHBondContact O-OH 3.06Å; S351-Y389 PolarHBondContact OG-OH 3.37Å; E352-Y389 PolarHBondContact N-OH 3.1Å; L355-Y389 HydrophobicContact CD1-CD1 4.38Å; L355-Y389 HydrophobicContact CD1-CD2 3.38Å; L355-Y389 HydrophobicContact CD1-CE1 4.24Å; L355-Y389 HydrophobicContact CD1-CE2 3.18Å; L355-Y389 HydrophobicContact CD1-CG 3.96Å; L355-Y389 HydrophobicContact CD2-CE2 4.32Å; L355-Y389 HydrophobicContact CG-CD2 4.25Å; L355-Y389 HydrophobicContact CG-CE2 3.62Å; L385-Y389 WeakPolarHBondContact O-CA 3.22Å; L385-Y389 VanDerWaalsContact O-CB 3.26Å; L385-Y389 WeakPolarHBondContact O-CB 3.42Å; L385-Y389 PolarHBondContact O-N 3.29Å; Y389-S391 VanDerWaalsContact C-N 3.27Å; Y389-V411 VanDerWaalsContact O-CB 3.28Å; Y389-V411 WeakPolarHBondContact O-CB 3.4Å; Y389-V411 WeakPolarHBondContact O-CG2 3.39Å; Y389-V411 PolarHBondContact O-N 3Å; Y389-A418 HydrophobicContact CD1-CB 3.66Å; Y389-A418 HydrophobicContact CG-CB 4.35Å
390L66.2Low60.6Low0 Ų037.3 Ų37.30%022%0.215CC..SBendtrans-84-3.9167.6-63164.5000113.2L385 L386 I392 V411 Y412 V422 W466L385-L390 PolarHBondContact O-N 2.98Å; L385-L390 VanDerWaalsContact O-N 3.09Å; L386-L390 HydrophobicContact CD2-CB 4.36Å; L386-L390 HydrophobicContact CD2-CD1 3.47Å; L386-L390 VanDerWaalsContact CD2-CD1 3.47Å; L386-L390 HydrophobicContact CG-CD1 4.4Å; L386-L390 CarbonylContact O-C 3.51Å; L386-L390 VanDerWaalsContact O-C 3.3Å; L390-I392 PolarHBondContact O-N 2.96Å; L390-V411 HydrophobicContact CD2-CG2 4.15Å; L390-Y412 WeakPolarHBondContact O-CE2 3.4Å; L390-V422 HydrophobicContact CD1-CG1 3.99Å; L390-V422 HydrophobicContact CD1-CG2 4.05Å; L390-V422 HydrophobicContact CD2-CG2 4.37Å; L390-V422 HydrophobicContact CG-CG2 4.11Å; L390-W466 HydrophobicContact CD1-CB 4.11Å; L390-W466 HydrophobicContact CD2-CB 4.32Å
391S61.5Low58.8Low0 Ų041.8 Ų41.80%024%0.235CC..  trans36.566.9177.2-164.70000114.8L386 Y389 S393 T394 P395L386-S391 WeakPolarHBondContact O-CA 3.48Å; L386-S391 PolarHBondContact O-N 2.98Å; Y389-S391 VanDerWaalsContact C-N 3.27Å; S391-S393 PolarHBondContact O-N 3.11Å; S391-S393 PolarHBondContact OG-OG 3.42Å; S391-S393 VanDerWaalsContact OG-OG 3.13Å; S391-T394 VanDerWaalsContact CB-OG1 3.29Å; S391-T394 WeakPolarHBondContact CB-OG1 3.06Å; S391-T394 PolarHBondContact O-N 2.96Å; S391-T394 PolarHBondContact O-OG1 3.36Å; S391-T394 VanDerWaalsContact O-OG1 3.04Å; S391-T394 WeakPolarHBondContact OG-CG2 3.4Å; S391-T394 PolarHBondContact OG-OG1 3.14Å; S391-T394 VanDerWaalsContact OG-OG1 3.11Å; S391-P395 WeakPolarHBondContact O-CD 3.36Å
392I56.4Low56.9Low31 Ų3144.7 Ų44.716%0.15925%0.249CC..THydrogen-bonded Turntrans-40.8-33.4173.6-72.3174000113.2L386 L390 P395 Y465L386-I392 HydrophobicContact CB-CD1 3.64Å; L386-I392 HydrophobicContact CB-CG1 4.11Å; L386-I392 PolarHBondContact O-N 2.96Å; L390-I392 PolarHBondContact O-N 2.96Å; I392-P395 WeakPolarHBondContact O-CD 3.43Å; I392-Y465 HydrophobicContact CB-CE1 4.37Å; I392-Y465 HydrophobicContact CD1-CD2 4.07Å; I392-Y465 HydrophobicContact CD1-CE2 3.91Å; I392-Y465 HydrophobicContact CG1-CD1 4.1Å; I392-Y465 HydrophobicContact CG1-CD2 3.81Å; I392-Y465 HydrophobicContact CG1-CE1 4.04Å; I392-Y465 HydrophobicContact CG1-CE2 3.77Å; I392-Y465 HydrophobicContact CG1-CG 4.01Å; I392-Y465 HydrophobicContact CG2-CE1 4.2Å; I392-Y465 HydrophobicContact CG2-CE2 4.41Å
393S47Very low54.7Low8 Ų849.6 Ų49.66%0.05628%0.281CS..THydrogen-bonded Turntrans-68.5-34.5179.241.70000116.3S391 H402 L406 Y1824S391-S393 PolarHBondContact O-N 3.11Å; S391-S393 PolarHBondContact OG-OG 3.42Å; S391-S393 VanDerWaalsContact OG-OG 3.13Å; S393-H402 PolarHBondContact O-NE2 3.4Å; S393-L406 VanDerWaalsContact OG-CD1 3.27Å; S393-L406 WeakPolarHBondContact OG-CD1 3.38Å; S393-Y1824 VanDerWaalsContact CA-OH 3.29Å; S393-Y1824 WeakPolarHBondContact CA-OH 3.24Å; S393-Y1824 WeakPolarHBondContact CB-OH 3.27Å; S393-Y1824 PolarHBondContact O-OH 3.42Å
394T48Very low52.9Low42 Ų4256.3 Ų56.326%0.25830%0.3SS..G310 helixtrans-80.5-24.9-171.249.50000117.3S391 Q396S391-T394 VanDerWaalsContact CB-OG1 3.29Å; S391-T394 WeakPolarHBondContact CB-OG1 3.06Å; S391-T394 PolarHBondContact O-N 2.96Å; S391-T394 PolarHBondContact O-OG1 3.36Å; S391-T394 VanDerWaalsContact O-OG1 3.04Å; S391-T394 WeakPolarHBondContact OG-CG2 3.4Å; S391-T394 PolarHBondContact OG-OG1 3.14Å; S391-T394 VanDerWaalsContact OG-OG1 3.11Å; T394-Q396 PolarHBondContact O-N 2.93Å
395P43.3Very low51.2Low32 Ų3262.8 Ų62.821%0.20833%0.327CS..G310 helixtrans-75.85.5173.530.3-36.5000114.8S391 I392 Y412 Y570S391-P395 WeakPolarHBondContact O-CD 3.36Å; I392-P395 WeakPolarHBondContact O-CD 3.43Å; P395-Y412 HydrophobicContact CB-CE1 4.26Å; P395-Y412 WeakPolarHBondContact CG-OH 3.3Å; P395-Y570 HydrophobicContact CB-CE1 4.37Å
396Q40.9Very low49.8Very low91 Ų9166.1 Ų66.143%0.42534%0.344SS..G310 helixtrans-130.38.8-179.2-70.6-168.1-20.500114.7T394T394-Q396 PolarHBondContact O-N 2.93Å
397G33.8Very low48.7Very low26 Ų2666.8 Ų66.827%0.26835%0.35SS..SBendtrans-155.8140.9-179.700000113.2
398D37.3Very low47.9Very low68 Ų6872.7 Ų72.736%0.36437%0.372SS..  trans-50.5122.5175.7170.74.9000110.4Q400 L401 H402D398-Q400 PolarHBondContact O-N 3.06Å; D398-Q400 VanDerWaalsContact O-N 3.07Å; D398-Q400 WeakPolarHBondContact OD1-CB 3.45Å; D398-Q400 PolarHBondContact OD1-N 3.44Å; D398-L401 HydrophobicContact CB-CB 4.12Å; D398-L401 HydrophobicContact CB-CD1 4.08Å; D398-L401 HydrophobicContact CB-CG 4.23Å; D398-L401 PolarHBondContact O-N 3.41Å; D398-L401 WeakPolarHBondContact OD2-CG 3.47Å; D398-H402 PolarHBondContact O-N 3.45Å; D398-H402 VanDerWaalsContact O-N 3.15Å
399P42.3Very low47.4Very low109 Ų10970.3 Ų70.371%0.70837%0.366SS*.THydrogen-bonded Turntrans-64.5-11-178.727.5-35.9000114
400Q40.6Very low47.2Very low177 Ų17770.5 Ų70.583%0.82737%0.367SS*.THydrogen-bonded Turntrans-86.1-30.9170.6-54-171.948.100112.7D398D398-Q400 PolarHBondContact O-N 3.06Å; D398-Q400 VanDerWaalsContact O-N 3.07Å; D398-Q400 WeakPolarHBondContact OD1-CB 3.45Å; D398-Q400 PolarHBondContact OD1-N 3.44Å
401L41.2Very low46.8Very low139 Ų13970.7 Ų70.773%0.72837%0.368SS*.THydrogen-bonded Turntrans-88.7-20.2-178-72.8173.9000113.8D398 P403D398-L401 HydrophobicContact CB-CB 4.12Å; D398-L401 HydrophobicContact CB-CD1 4.08Å; D398-L401 HydrophobicContact CB-CG 4.23Å; D398-L401 PolarHBondContact O-N 3.41Å; D398-L401 WeakPolarHBondContact OD2-CG 3.47Å; L401-P403 VanDerWaalsContact O-CD 3.23Å; L401-P403 WeakPolarHBondContact O-CD 3.47Å
402H45.1Very low46.7Very low61 Ų6172.5 Ų72.528%0.28238%0.375SS..  trans-71.9112.5174.9-96.2-50.3000111.7S393 D398 Y404 Y1824S393-H402 PolarHBondContact O-NE2 3.4Å; D398-H402 PolarHBondContact O-N 3.45Å; D398-H402 VanDerWaalsContact O-N 3.15Å; H402-Y404 PolarHBondContact O-N 3.46Å; H402-Y1824 PolarHBondContact CE1-OH 3.43Å; H402-Y1824 PolarHBondContact NE2-OH 3.32Å
403P35.4Very low46.9Very low107 Ų10774.9 Ų74.970%0.69539%0.385SS*.SBendtrans-71.9-2.1-174.231.2-37.2000113.9L401L401-P403 VanDerWaalsContact O-CD 3.23Å; L401-P403 WeakPolarHBondContact O-CD 3.47Å
404Y38.1Very low47.5Very low175 Ų17575.6 Ų75.669%0.68639%0.394SS*.  trans-124.6101.6175.1-57.9-69.5000109.1H402 L406H402-Y404 PolarHBondContact O-N 3.46Å; Y404-L406 VanDerWaalsContact C-N 3.31Å; Y404-L406 PolarHBondContact O-N 3.43Å
405K42.4Very low48.5Very low158 Ų15874.7 Ų74.769%0.68739%0.388SS*.  trans-68.793.6164.3-155.6-177.4-161.1-153.80107.9S407 E413K405-S407 VanDerWaalsContact C-N 3.31Å; K405-S407 PolarHBondContact O-N 3.25Å; K405-E413 WeakPolarHBondContact CE-OE1 3.11Å; K405-E413 IonicContact NZ-OE1 3.83Å; K405-E413 PolarHBondContact NZ-OE1 3.25Å
406L47.8Very low49.9Very low69 Ų6975.1 Ų75.136%0.36139%0.388SS..  trans-73.379.8-164.9-83.5164.6000112.8S393 Y404S393-L406 VanDerWaalsContact OG-CD1 3.27Å; S393-L406 WeakPolarHBondContact OG-CD1 3.38Å; Y404-L406 VanDerWaalsContact C-N 3.31Å; Y404-L406 PolarHBondContact O-N 3.43Å
407S50.7Low51.3Low26 Ų2675.7 Ų75.718%0.18239%0.389CS..  trans69.9129-172.7-12.10000113.1K405 N410K405-S407 VanDerWaalsContact C-N 3.31Å; K405-S407 PolarHBondContact O-N 3.25Å; S407-N410 PolarHBondContact O-ND2 3.02Å
408Q51.3Low53.2Low145 Ų14574.7 Ų74.768%0.67838%0.378SS*.THydrogen-bonded Turntrans-60.8148.2152.7-75.3177.6-33.100109.2L348 E413L348-Q408 WeakPolarHBondContact CD1-O 3.37Å; Q408-E413 WeakPolarHBondContact CA-OE2 3.24Å
409G57.1Low54.9Low9 Ų971.9 Ų71.99%0.09336%0.363CS..THydrogen-bonded Turntrans76.729.8176.600000114.6E413 N415G409-E413 PolarHBondContact N-OE2 3.29Å; G409-N415 VanDerWaalsContact O-CB 3.26Å; G409-N415 WeakPolarHBondContact O-CB 3.3Å; G409-N415 PolarHBondContact O-ND2 2.81Å
410N64.2Low56.6Low8 Ų868.5 Ų68.54%0.04334%0.338CS..  trans-73.2169.2160.163.963.9000110.5R388 S407 Y412 E413 N415R388-N410 WeakPolarHBondContact O-CB 3.37Å; S407-N410 PolarHBondContact O-ND2 3.02Å; N410-Y412 VanDerWaalsContact C-N 3.32Å; N410-Y412 PolarHBondContact O-N 3.13Å; N410-Y412 WeakPolarHBondContact OD1-CA 3.37Å; N410-Y412 VanDerWaalsContact OD1-CB 3.28Å; N410-Y412 WeakPolarHBondContact OD1-CB 3.19Å; N410-Y412 PolarHBondContact OD1-N 2.93Å; N410-E413 PolarHBondContact O-N 3.11Å; N410-E413 PolarHBondContact OD1-N 3.49Å; N410-N415 WeakPolarHBondContact O-CB 3.29Å; N410-N415 PolarHBondContact O-N 2.83Å
411V59.4Low58.5Low3 Ų360.2 Ų60.22%0.01830%0.3CS..G310 helixtrans-60.2-43.1177.9170.60000110.3Y389 L390 E413 G414 A418 L419 Y473Y389-V411 VanDerWaalsContact O-CB 3.28Å; Y389-V411 WeakPolarHBondContact O-CB 3.4Å; Y389-V411 WeakPolarHBondContact O-CG2 3.39Å; Y389-V411 PolarHBondContact O-N 3Å; L390-V411 HydrophobicContact CD2-CG2 4.15Å; V411-E413 PolarHBondContact O-N 3.26Å; V411-E413 VanDerWaalsContact O-N 3.15Å; V411-G414 WeakPolarHBondContact O-CA 3.48Å; V411-G414 PolarHBondContact O-N 3.49Å; V411-A418 HydrophobicContact CG2-CB 3.69Å; V411-L419 HydrophobicContact CG1-CD1 4.31Å; V411-L419 HydrophobicContact CG2-CB 4.44Å; V411-Y473 VanDerWaalsContact C-OH 3.28Å; V411-Y473 HydrophobicContact CG1-CE2 3.66Å; V411-Y473 PolarHBondContact O-OH 3.46Å
412Y58.6Low60.3Low38 Ų3853.6 Ų53.615%0.14927%0.265CS..G310 helixtrans-60.4-25.3-178.6-75.7-125.6000113.1L390 P395 N410 Y473 Y570L390-Y412 WeakPolarHBondContact O-CE2 3.4Å; P395-Y412 HydrophobicContact CB-CE1 4.26Å; P395-Y412 WeakPolarHBondContact CG-OH 3.3Å; N410-Y412 VanDerWaalsContact C-N 3.32Å; N410-Y412 PolarHBondContact O-N 3.13Å; N410-Y412 WeakPolarHBondContact OD1-CA 3.37Å; N410-Y412 VanDerWaalsContact OD1-CB 3.28Å; N410-Y412 WeakPolarHBondContact OD1-CB 3.19Å; N410-Y412 PolarHBondContact OD1-N 2.93Å; Y412-Y473 WeakPolarHBondContact CA-OH 3.3Å; Y412-Y570 AromaticContact CE1-CE1 3.56Å; Y412-Y570 HydrophobicContact CE1-CE1 3.56Å; Y412-Y570 AromaticContact CE1-CZ 3.97Å; Y412-Y570 AromaticContact CZ-CE1 3.86Å
413E60Low61.9Low81 Ų8150.9 Ų50.938%0.37925%0.252SS..G310 helixtrans-87.62.9171.2-71.6-170.9158.300114.5K405 Q408 G409 N410 V411K405-E413 WeakPolarHBondContact CE-OE1 3.11Å; K405-E413 IonicContact NZ-OE1 3.83Å; K405-E413 PolarHBondContact NZ-OE1 3.25Å; Q408-E413 WeakPolarHBondContact CA-OE2 3.24Å; G409-E413 PolarHBondContact N-OE2 3.29Å; N410-E413 PolarHBondContact O-N 3.11Å; N410-E413 PolarHBondContact OD1-N 3.49Å; V411-E413 PolarHBondContact O-N 3.26Å; V411-E413 VanDerWaalsContact O-N 3.15Å
414G59.8Low64.2Low23 Ų2345.8 Ų45.824%0.23722%0.219CC..THydrogen-bonded Turntrans95.519.3175.700000116.1V411 L416V411-G414 WeakPolarHBondContact O-CA 3.48Å; V411-G414 PolarHBondContact O-N 3.49Å; G414-L416 PolarHBondContact O-N 3.46Å; G414-L416 VanDerWaalsContact O-N 3.11Å
415N69.5Low66.4Low23 Ų2337.5 Ų37.512%0.12319%0.187CC..  trans-74.8101.7179.5-169.2-8.5000112.9E352 G409 N410 K417 A418 L419E352-N415 PolarHBondContact OE1-ND2 3.13Å; G409-N415 VanDerWaalsContact O-CB 3.26Å; G409-N415 WeakPolarHBondContact O-CB 3.3Å; G409-N415 PolarHBondContact O-ND2 2.81Å; N410-N415 WeakPolarHBondContact O-CB 3.29Å; N410-N415 PolarHBondContact O-N 2.83Å; N415-K417 PolarHBondContact O-N 3.34Å; N415-K417 PolarHBondContact OD1-N 3.43Å; N415-K417 VanDerWaalsContact OD1-N 3.16Å; N415-A418 HydrophobicContact CB-CB 4.01Å; N415-A418 WeakPolarHBondContact O-CB 3.43Å; N415-A418 PolarHBondContact O-N 3.03Å; N415-L419 PolarHBondContact O-N 3.12Å
416L71.6Confident68.4Low42 Ų4230 Ų3022%0.2215%0.154CC..Hα-helixtrans-56.8-46.7177-68179.8000113.7G414 A418 L419 E420 M484 C488G414-L416 PolarHBondContact O-N 3.46Å; G414-L416 VanDerWaalsContact O-N 3.11Å; L416-A418 PolarHBondContact O-N 3.47Å; L416-A418 VanDerWaalsContact O-N 3.16Å; L416-L419 WeakPolarHBondContact O-CB 3.43Å; L416-L419 PolarHBondContact O-N 3.01Å; L416-E420 WeakPolarHBondContact O-CG 3.19Å; L416-E420 PolarHBondContact O-N 3.2Å; L416-M484 HydrophobicContact CD1-CE 4.22Å; L416-M484 HydrophobicContact CD2-CE 3.76Å; L416-M484 HydrophobicContact CD2-SD 3.43Å; L416-M484 WeakPolarHBondContact CD2-SD 3.31Å; L416-M484 HydrophobicContact CG-CE 3.9Å; L416-M484 HydrophobicContact CG-SD 4.22Å; L416-C488 HydrophobicContact CD2-CB 3.95Å
417K72Confident70Confident102 Ų10226.8 Ų26.844%0.44314%0.138SC..Hα-helixtrans-61-31.2-178.1-57.4-174.7-156.3161.60112.4E352 N415 L421E352-K417 IonicContact OE1-NZ 2.92Å; E352-K417 WeakPolarHBondContact OE2-CD 3.46Å; E352-K417 IonicContact OE2-NZ 3.21Å; E352-K417 PolarHBondContact OE2-NZ 3.1Å; N415-K417 PolarHBondContact O-N 3.34Å; N415-K417 PolarHBondContact OD1-N 3.43Å; N415-K417 VanDerWaalsContact OD1-N 3.16Å; K417-L421 VanDerWaalsContact O-CB 3.24Å; K417-L421 WeakPolarHBondContact O-CB 3.24Å; K417-L421 PolarHBondContact O-N 3.24Å
418A72.4Confident71.5Confident5 Ų525.8 Ų25.84%0.04113%0.13CC..Hα-helixtrans-68.4-42.2176.800000111Y389 V411 N415 L416 V422Y389-A418 HydrophobicContact CD1-CB 3.66Å; Y389-A418 HydrophobicContact CG-CB 4.35Å; V411-A418 HydrophobicContact CG2-CB 3.69Å; N415-A418 HydrophobicContact CB-CB 4.01Å; N415-A418 WeakPolarHBondContact O-CB 3.43Å; N415-A418 PolarHBondContact O-N 3.03Å; L416-A418 PolarHBondContact O-N 3.47Å; L416-A418 VanDerWaalsContact O-N 3.16Å; A418-V422 WeakPolarHBondContact O-CG2 3.47Å; A418-V422 PolarHBondContact O-N 3.45Å; A418-V422 VanDerWaalsContact O-N 3.09Å
419L74.2Confident73Confident10 Ų1019 Ų195%0.05210%0.098CC..Hα-helixtrans-66-45.6176.1-171.766.7000111.6V411 N415 L416 V422 Q423 C488V411-L419 HydrophobicContact CG1-CD1 4.31Å; V411-L419 HydrophobicContact CG2-CB 4.44Å; N415-L419 PolarHBondContact O-N 3.12Å; L416-L419 WeakPolarHBondContact O-CB 3.43Å; L416-L419 PolarHBondContact O-N 3.01Å; L419-V422 PolarHBondContact O-N 2.73Å; L419-Q423 PolarHBondContact O-N 3.14Å; L419-C488 HydrophobicContact CD2-CB 4.38Å; L419-C488 WeakPolarHBondContact CD2-O 3.47Å
420E77.8Confident74.1Confident37 Ų3718.6 Ų18.617%0.1739%0.094CC..Hα-helixtrans-60.1-45.3176-69164.5-171.400112.4L416 Q423 H424 L440L416-E420 WeakPolarHBondContact O-CG 3.19Å; L416-E420 PolarHBondContact O-N 3.2Å; E420-Q423 PolarHBondContact O-N 3.1Å; E420-H424 PolarHBondContact O-N 2.76Å; E420-L440 HydrophobicContact CB-CD1 4.09Å; E420-L440 HydrophobicContact CB-CD2 4.14Å; E420-L440 HydrophobicContact CB-CG 4.35Å
421L78.9Confident74.4Confident4 Ų422 Ų222%0.02112%0.119CC..Hα-helixtrans-64.3-40.9177.6175.858.5000111.5L355 F356 K417 Q423 H424 V425 L440L355-L421 HydrophobicContact CB-CD2 3.79Å; L355-L421 HydrophobicContact CD1-CD2 3.83Å; F356-L421 HydrophobicContact CD1-CD1 4.04Å; F356-L421 HydrophobicContact CD1-CD2 4.32Å; F356-L421 HydrophobicContact CE1-CB 4.29Å; F356-L421 HydrophobicContact CE1-CD1 3.79Å; F356-L421 HydrophobicContact CE1-CD2 4.11Å; F356-L421 HydrophobicContact CE1-CG 4.28Å; F356-L421 HydrophobicContact CE2-CD2 4.39Å; F356-L421 HydrophobicContact CZ-CB 4.24Å; F356-L421 HydrophobicContact CZ-CD1 4.5Å; F356-L421 HydrophobicContact CZ-CD2 4.14Å; K417-L421 VanDerWaalsContact O-CB 3.24Å; K417-L421 WeakPolarHBondContact O-CB 3.24Å; K417-L421 PolarHBondContact O-N 3.24Å; L421-Q423 VanDerWaalsContact C-N 3.33Å; L421-H424 PolarHBondContact O-N 2.81Å; L421-V425 HydrophobicContact CD1-CG2 4.19Å; L421-V425 WeakPolarHBondContact O-CB 3.23Å; L421-V425 WeakPolarHBondContact O-CG2 3.22Å; L421-V425 PolarHBondContact O-N 3.28Å; L421-L440 HydrophobicContact CB-CD1 4.44Å
422V79.2Confident74.6Confident0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-61.8-43.2174.41730000111L385 L390 A418 L419 V425 Y426 W466L385-V422 HydrophobicContact CD1-CG2 3.72Å; L385-V422 HydrophobicContact CD2-CG2 4.07Å; L385-V422 HydrophobicContact CG-CG2 3.87Å; L390-V422 HydrophobicContact CD1-CG1 3.99Å; L390-V422 HydrophobicContact CD1-CG2 4.05Å; L390-V422 HydrophobicContact CD2-CG2 4.37Å; L390-V422 HydrophobicContact CG-CG2 4.11Å; A418-V422 WeakPolarHBondContact O-CG2 3.47Å; A418-V422 PolarHBondContact O-N 3.45Å; A418-V422 VanDerWaalsContact O-N 3.09Å; L419-V422 PolarHBondContact O-N 2.73Å; V422-V425 WeakPolarHBondContact O-CB 3.22Å; V422-V425 PolarHBondContact O-N 2.89Å; V422-Y426 HydrophobicContact CG1-CD2 3.82Å; V422-Y426 HydrophobicContact CG1-CE2 3.41Å; V422-Y426 VanDerWaalsContact CG1-CE2 3.41Å; V422-Y426 WeakPolarHBondContact O-CD2 3.37Å; V422-Y426 PolarHBondContact O-N 2.66Å; V422-Y426 VanDerWaalsContact O-N 3.08Å; V422-W466 HydrophobicContact CG1-CB 3.81Å; V422-W466 HydrophobicContact CG1-CD2 4.43Å; V422-W466 HydrophobicContact CG1-CG 3.54Å
423Q79.9Confident74.9Confident3 Ų327.7 Ų27.71%0.01415%0.149CC..Hα-helixtrans-63.8-42.3178-164177.112.100111.8L419 E420 L421 V425 Y426 S427 F437 H438 W466L419-Q423 PolarHBondContact O-N 3.14Å; E420-Q423 PolarHBondContact O-N 3.1Å; L421-Q423 VanDerWaalsContact C-N 3.33Å; Q423-V425 PolarHBondContact O-N 3.35Å; Q423-Y426 PolarHBondContact O-N 2.69Å; Q423-S427 WeakPolarHBondContact O-CB 3.17Å; Q423-S427 PolarHBondContact O-N 2.83Å; Q423-F437 HydrophobicContact CG-CB 4.21Å; Q423-F437 HydrophobicContact CG-CD1 3.96Å; Q423-H438 HydrophobicContact CG-CB 4.44Å; Q423-W466 HydrophobicContact CB-CZ2 4.21Å; Q423-W466 HydrophobicContact CG-CH2 4.47Å; Q423-W466 HydrophobicContact CG-CZ2 3.87Å
424H82.9Confident75.1Confident1 Ų128.5 Ų28.51%0.00516%0.163CC..Hα-helixtrans-61.4-42.1173.3-178.884.7000112.3W359 E420 L421 Y426 S427 C428 L440 V442 P443W359-H424 AromaticContact NE1-CD2 3.67Å; W359-H424 AromaticContact NE1-NE2 3.66Å; E420-H424 PolarHBondContact O-N 2.76Å; L421-H424 PolarHBondContact O-N 2.81Å; H424-Y426 PolarHBondContact O-N 2.98Å; H424-S427 WeakPolarHBondContact O-CB 3.2Å; H424-S427 PolarHBondContact O-N 3.44Å; H424-S427 PolarHBondContact O-OG 3.22Å; H424-C428 PolarHBondContact O-N 3.12Å; H424-C428 PolarHBondContact O-SG 2.9Å; H424-C428 VanDerWaalsContact O-SG 3.35Å; H424-L440 HydrophobicContact CB-CB 4.3Å; H424-L440 HydrophobicContact CB-CD1 4.29Å; H424-L440 HydrophobicContact CB-CG 4.25Å; H424-L440 PolarHBondContact CE1-O 2.96Å; H424-L440 PolarHBondContact ND1-N 3.15Å; H424-L440 PolarHBondContact ND1-O 3.22Å; H424-V442 PolarHBondContact CE1-O 3.47Å; H424-V442 VanDerWaalsContact CE1-O 3.28Å; H424-V442 PolarHBondContact NE2-O 3.45Å; H424-P443 PolarHBondContact NE2-O 3.09Å
425V84.1Confident75.6Confident0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-59.1-47.3177.1165.50000110.9W359 F381 L382 L385 L421 V422 Q423 C428 F429W359-V425 HydrophobicContact CD2-CG2 3.91Å; W359-V425 HydrophobicContact CE3-CG2 3.79Å; W359-V425 HydrophobicContact CH2-CB 4.28Å; W359-V425 HydrophobicContact CH2-CG1 4Å; W359-V425 HydrophobicContact CH2-CG2 4.13Å; W359-V425 HydrophobicContact CZ2-CG2 4.27Å; W359-V425 HydrophobicContact CZ3-CB 4.34Å; W359-V425 HydrophobicContact CZ3-CG1 3.86Å; W359-V425 HydrophobicContact CZ3-CG2 3.9Å; F381-V425 HydrophobicContact CE1-CG1 4.26Å; F381-V425 HydrophobicContact CE1-CG2 3.94Å; F381-V425 HydrophobicContact CZ-CG2 3.97Å; L382-V425 HydrophobicContact CD2-CG1 4.43Å; L385-V425 HydrophobicContact CD2-CB 4.5Å; L385-V425 HydrophobicContact CD2-CG1 4.21Å; L385-V425 HydrophobicContact CD2-CG2 4.35Å; L421-V425 HydrophobicContact CD1-CG2 4.19Å; L421-V425 WeakPolarHBondContact O-CB 3.23Å; L421-V425 WeakPolarHBondContact O-CG2 3.22Å; L421-V425 PolarHBondContact O-N 3.28Å; V422-V425 WeakPolarHBondContact O-CB 3.22Å; V422-V425 PolarHBondContact O-N 2.89Å; Q423-V425 PolarHBondContact O-N 3.35Å; V425-C428 PolarHBondContact O-N 3.35Å; V425-F429 HydrophobicContact CG1-CD2 4.13Å; V425-F429 HydrophobicContact CG1-CE2 3.71Å; V425-F429 WeakPolarHBondContact O-CD2 3.25Å; V425-F429 PolarHBondContact O-N 3.5Å
426Y84.1Confident75.6Confident0 Ų034.5 Ų34.50%018%0.183CC..Hα-helixtrans-69.7-34175.4-65.9-52000113.1V422 Q423 H424 C428 F429 F430 G462 L463 W466V422-Y426 HydrophobicContact CG1-CD2 3.82Å; V422-Y426 HydrophobicContact CG1-CE2 3.41Å; V422-Y426 VanDerWaalsContact CG1-CE2 3.41Å; V422-Y426 WeakPolarHBondContact O-CD2 3.37Å; V422-Y426 PolarHBondContact O-N 2.66Å; V422-Y426 VanDerWaalsContact O-N 3.08Å; Q423-Y426 PolarHBondContact O-N 2.69Å; H424-Y426 PolarHBondContact O-N 2.98Å; Y426-C428 PolarHBondContact O-N 2.66Å; Y426-C428 VanDerWaalsContact O-N 3.12Å; Y426-F429 HydrophobicContact CD1-CD2 4.4Å; Y426-F429 PolarHBondContact O-N 2.93Å; Y426-F429 VanDerWaalsContact O-N 3.13Å; Y426-F430 HydrophobicContact CD1-CD2 4.42Å; Y426-F430 HydrophobicContact CD1-CE2 4.07Å; Y426-F430 WeakPolarHBondContact O-CD2 3.38Å; Y426-F430 PolarHBondContact O-N 3.49Å; Y426-G462 WeakPolarHBondContact OH-CA 3.44Å; Y426-G462 PolarHBondContact OH-O 3.27Å; Y426-L463 HydrophobicContact CD1-CD1 4.48Å; Y426-L463 HydrophobicContact CD2-CD1 4.12Å; Y426-L463 HydrophobicContact CE1-CB 4.45Å; Y426-L463 HydrophobicContact CG-CD1 4.13Å; Y426-L463 PolarHBondContact OH-N 3.07Å; Y426-W466 HydrophobicContact CD2-CB 4.47Å; Y426-W466 HydrophobicContact CD2-CD2 4.36Å; Y426-W466 HydrophobicContact CD2-CE3 4.44Å; Y426-W466 HydrophobicContact CD2-CG 4.4Å; Y426-W466 HydrophobicContact CE2-CB 3.86Å; Y426-W466 HydrophobicContact CE2-CG 4.21Å
427S82.1Confident75.6Confident3 Ų333.6 Ų33.62%0.02118%0.177CC..Hα-helixtrans-57.4-27.8174.284.80000113.5Q423 H424 S431 F437Q423-S427 WeakPolarHBondContact O-CB 3.17Å; Q423-S427 PolarHBondContact O-N 2.83Å; H424-S427 WeakPolarHBondContact O-CB 3.2Å; H424-S427 PolarHBondContact O-N 3.44Å; H424-S427 PolarHBondContact O-OG 3.22Å; S427-S431 WeakPolarHBondContact O-CA 3.28Å; S427-S431 WeakPolarHBondContact O-CB 3.08Å; S427-S431 PolarHBondContact O-N 2.68Å; S427-F437 VanDerWaalsContact CB-CB 3.48Å
428C82.4Confident75.4Confident4 Ų432.9 Ų32.93%0.02718%0.175CC..Hα-helixtrans-79.2-43.4176.2-63.30000112.1W359 H424 V425 Y426 F430 S431 L445W359-C428 HydrophobicContact CH2-CB 4.25Å; W359-C428 HydrophobicContact CZ2-CB 3.82Å; H424-C428 PolarHBondContact O-N 3.12Å; H424-C428 PolarHBondContact O-SG 2.9Å; H424-C428 VanDerWaalsContact O-SG 3.35Å; V425-C428 PolarHBondContact O-N 3.35Å; Y426-C428 PolarHBondContact O-N 2.66Å; Y426-C428 VanDerWaalsContact O-N 3.12Å; C428-F430 VanDerWaalsContact C-N 3.34Å; C428-F430 PolarHBondContact O-N 3.23Å; C428-S431 PolarHBondContact O-OG 3.27Å; C428-L445 HydrophobicContact CB-CB 4.15Å
429F82.9Confident75Confident2 Ų236.5 Ų36.51%0.00919%0.191CC..Hα-helixtrans-68.4-30.9178.6-70-61.6000113.6W359 L378 V425 Y426 L445 V447 L452 L459 Y504W359-F429 AromaticContact CH2-CE2 3.93Å; W359-F429 HydrophobicContact CH2-CE2 3.93Å; W359-F429 HydrophobicContact CH2-CZ 4.06Å; W359-F429 HydrophobicContact CZ3-CE2 4.12Å; W359-F429 HydrophobicContact CZ3-CZ 4.16Å; L378-F429 HydrophobicContact CD1-CZ 3.89Å; L378-F429 HydrophobicContact CD2-CE1 3.88Å; L378-F429 HydrophobicContact CD2-CZ 3.68Å; L378-F429 HydrophobicContact CG-CZ 4.37Å; V425-F429 HydrophobicContact CG1-CD2 4.13Å; V425-F429 HydrophobicContact CG1-CE2 3.71Å; V425-F429 WeakPolarHBondContact O-CD2 3.25Å; V425-F429 PolarHBondContact O-N 3.5Å; Y426-F429 HydrophobicContact CD1-CD2 4.4Å; Y426-F429 PolarHBondContact O-N 2.93Å; Y426-F429 VanDerWaalsContact O-N 3.13Å; F429-L445 HydrophobicContact CE1-CD2 3.87Å; F429-L445 HydrophobicContact CZ-CD2 4.02Å; F429-V447 HydrophobicContact CD1-CG2 3.82Å; F429-V447 HydrophobicContact CE1-CG2 3.87Å; F429-L452 HydrophobicContact CB-CD2 4.26Å; F429-L452 HydrophobicContact CD1-CD2 3.86Å; F429-L459 HydrophobicContact CD1-CD1 4.35Å; F429-L459 HydrophobicContact CD1-CD2 3.96Å; F429-L459 HydrophobicContact CD2-CD2 3.84Å; F429-L459 HydrophobicContact CE1-CD2 3.98Å; F429-L459 HydrophobicContact CE2-CD2 3.82Å; F429-L459 HydrophobicContact CG-CD2 3.93Å; F429-L459 HydrophobicContact CZ-CD2 3.93Å; F429-Y504 WeakPolarHBondContact O-CE1 3.24Å
430F80.9Confident74.7Confident1 Ų137.8 Ų37.80%0.00420%0.198CC..THydrogen-bonded Turntrans-115.933.8-175.1-62.3-79.5000112Y426 C428 E432 S433 F437 L463 C501 Y504 L505Y426-F430 HydrophobicContact CD1-CD2 4.42Å; Y426-F430 HydrophobicContact CD1-CE2 4.07Å; Y426-F430 WeakPolarHBondContact O-CD2 3.38Å; Y426-F430 PolarHBondContact O-N 3.49Å; C428-F430 VanDerWaalsContact C-N 3.34Å; C428-F430 PolarHBondContact O-N 3.23Å; F430-E432 VanDerWaalsContact C-N 3.35Å; F430-E432 PolarHBondContact O-N 3.07Å; F430-S433 VanDerWaalsContact O-CB 3.31Å; F430-S433 WeakPolarHBondContact O-CB 3.38Å; F430-S433 PolarHBondContact O-N 3.06Å; F430-S433 VanDerWaalsContact O-N 3.09Å; F430-S433 PolarHBondContact O-OG 3.48Å; F430-F437 HydrophobicContact CB-CE2 3.96Å; F430-L463 HydrophobicContact CE2-CD2 4.38Å; F430-L463 HydrophobicContact CZ-CD2 4.36Å; F430-C501 HydrophobicContact CD1-CB 3.62Å; F430-C501 VanDerWaalsContact CD1-SG 3.55Å; F430-C501 HydrophobicContact CE1-CB 3.5Å; F430-C501 VanDerWaalsContact CE1-CB 3.5Å; F430-C501 HydrophobicContact CE2-CB 4.49Å; F430-C501 HydrophobicContact CG-CB 4.2Å; F430-C501 VanDerWaalsContact CG-SG 3.51Å; F430-C501 HydrophobicContact CZ-CB 3.97Å; F430-Y504 AromaticContact CD1-CD1 3.73Å; F430-Y504 HydrophobicContact CD1-CD1 3.73Å; F430-Y504 HydrophobicContact CD1-CE1 4.33Å; F430-Y504 HydrophobicContact CE1-CD1 4.38Å; F430-L505 HydrophobicContact CE1-CD1 3.96Å; F430-L505 HydrophobicContact CE1-CG 3.99Å; F430-L505 HydrophobicContact CZ-CD1 4.26Å
431S70.3Confident74.3Confident79 Ų7944.6 Ų44.655%0.55224%0.236SC*.THydrogen-bonded Turntrans-67.4-26.8-170.435.90000115.1S427 C428S427-S431 WeakPolarHBondContact O-CA 3.28Å; S427-S431 WeakPolarHBondContact O-CB 3.08Å; S427-S431 PolarHBondContact O-N 2.68Å; C428-S431 PolarHBondContact O-OG 3.27Å
432E63Low74Confident143 Ų14346 Ų4667%0.66824%0.244SC*.THydrogen-bonded Turntrans-93.63.4173.8-70.3168.6-154.500113.2F430 Y504F430-E432 VanDerWaalsContact C-N 3.35Å; F430-E432 PolarHBondContact O-N 3.07Å; E432-Y504 HydrophobicContact CB-CD2 4.3Å; E432-Y504 HydrophobicContact CB-CE2 3.46Å; E432-Y504 VanDerWaalsContact CB-CE2 3.46Å; E432-Y504 HydrophobicContact CG-CE2 4.48Å
433S65.5Low73.8Confident19 Ų1948.2 Ų48.213%0.13326%0.258CS..SBendtrans-77.4160175.476.10000111.9F430 V435F430-S433 VanDerWaalsContact O-CB 3.31Å; F430-S433 WeakPolarHBondContact O-CB 3.38Å; F430-S433 PolarHBondContact O-N 3.06Å; F430-S433 VanDerWaalsContact O-N 3.09Å; F430-S433 PolarHBondContact O-OG 3.48Å; S433-V435 PolarHBondContact O-N 3.3Å; S433-V435 WeakPolarHBondContact OG-CB 3.39Å; S433-V435 PolarHBondContact OG-N 3.34Å
434S64.8Low73.6Confident97 Ų9756.1 Ų56.168%0.67829%0.288SS*.SBendtrans-71.312.9174.357.70000114.5Q492S434-Q492 PolarHBondContact O-NE2 2.8Å
435V69.5Low73.3Confident14 Ų1456.5 Ų56.59%0.08529%0.29CS..  trans-99.2126.4-169.9-174.10000111.1S433 F437 Q492 I497S433-V435 PolarHBondContact O-N 3.3Å; S433-V435 WeakPolarHBondContact OG-CB 3.39Å; S433-V435 PolarHBondContact OG-N 3.34Å; V435-F437 HydrophobicContact CB-CD2 4.14Å; V435-F437 HydrophobicContact CB-CE2 3.65Å; V435-F437 HydrophobicContact CB-CZ 4.17Å; V435-F437 HydrophobicContact CG1-CD1 4.42Å; V435-F437 HydrophobicContact CG1-CD2 3.87Å; V435-F437 HydrophobicContact CG1-CE1 4.03Å; V435-F437 HydrophobicContact CG1-CE2 3.43Å; V435-F437 VanDerWaalsContact CG1-CE2 3.43Å; V435-F437 HydrophobicContact CG1-CG 4.35Å; V435-F437 HydrophobicContact CG1-CZ 3.52Å; V435-F437 PolarHBondContact O-N 3.36Å; V435-Q492 VanDerWaalsContact CA-OE1 3.32Å; V435-I497 HydrophobicContact CG1-CB 4.21Å; V435-I497 HydrophobicContact CG1-CG1 3.86Å; V435-I497 HydrophobicContact CG1-CG2 4.05Å
436K70Confident72.7Confident159 Ų15961.9 Ų61.969%0.69133%0.328SS*.  trans-91.684.4-178.5-69.8-173.7177.8-179.70111.3
437F70.2Confident72.2Confident23 Ų2363.4 Ų63.410%0.10134%0.337CS..  trans-79.2143.9170.4-63.2-77.4000112.2Q423 S427 F430 V435 W466 I497Q423-F437 HydrophobicContact CG-CB 4.21Å; Q423-F437 HydrophobicContact CG-CD1 3.96Å; S427-F437 VanDerWaalsContact CB-CB 3.48Å; F430-F437 HydrophobicContact CB-CE2 3.96Å; V435-F437 HydrophobicContact CB-CD2 4.14Å; V435-F437 HydrophobicContact CB-CE2 3.65Å; V435-F437 HydrophobicContact CB-CZ 4.17Å; V435-F437 HydrophobicContact CG1-CD1 4.42Å; V435-F437 HydrophobicContact CG1-CD2 3.87Å; V435-F437 HydrophobicContact CG1-CE1 4.03Å; V435-F437 HydrophobicContact CG1-CE2 3.43Å; V435-F437 VanDerWaalsContact CG1-CE2 3.43Å; V435-F437 HydrophobicContact CG1-CG 4.35Å; V435-F437 HydrophobicContact CG1-CZ 3.52Å; V435-F437 PolarHBondContact O-N 3.36Å; F437-W466 HydrophobicContact CD1-CH2 4.25Å; F437-W466 AromaticContact CE1-CH2 3.98Å; F437-W466 HydrophobicContact CE1-CH2 3.98Å; F437-W466 HydrophobicContact CE1-CZ3 4.02Å; F437-I497 HydrophobicContact CE1-CG2 4.06Å; F437-I497 HydrophobicContact CZ-CG2 4.07Å
438H68.9Low71.9Confident86 Ų8665.5 Ų65.540%0.39835%0.352SS..  trans-67.1144.4165.5-164.775.9000110.3Q423Q423-H438 HydrophobicContact CG-CB 4.44Å
439Q62.8Low71.8Confident82 Ų8268 Ų6838%0.38337%0.365SS..  trans-125.2131.4-176.7-61.9-172.47.600110.4R444Q439-R444 VanDerWaalsContact OE1-CZ 3.3Å; Q439-R444 VanDerWaalsContact OE1-NE 3.14Å
440L68.5Low71.5Confident37 Ų3771.9 Ų71.919%0.19438%0.383CS..  trans-84.5158.5173-67.9175.7000110.6F356 E420 L421 H424 V442F356-L440 HydrophobicContact CE1-CD1 4.07Å; F356-L440 HydrophobicContact CZ-CD1 4.49Å; E420-L440 HydrophobicContact CB-CD1 4.09Å; E420-L440 HydrophobicContact CB-CD2 4.14Å; E420-L440 HydrophobicContact CB-CG 4.35Å; L421-L440 HydrophobicContact CB-CD1 4.44Å; H424-L440 HydrophobicContact CB-CB 4.3Å; H424-L440 HydrophobicContact CB-CD1 4.29Å; H424-L440 HydrophobicContact CB-CG 4.25Å; H424-L440 PolarHBondContact CE1-O 2.96Å; H424-L440 PolarHBondContact ND1-N 3.15Å; H424-L440 PolarHBondContact ND1-O 3.22Å; L440-V442 HydrophobicContact CB-CB 4.15Å; L440-V442 HydrophobicContact CB-CG2 3.73Å; L440-V442 HydrophobicContact CD1-CG2 4.48Å; L440-V442 PolarHBondContact O-N 3.13Å
441N69.2Low71.4Confident180 Ų18072 Ų7296%0.96338%0.384SS*.SBendtrans-72.963.1170.4-75.3-23.9000111.3
442V72.9Confident71.9Confident34 Ų3468.4 Ų68.421%0.20636%0.358CS..SBendtrans-136.5144.5-171170.40000106.8F356 W359 H424 L440 R444F356-V442 HydrophobicContact CD1-CG2 4.25Å; F356-V442 HydrophobicContact CE1-CG2 4.26Å; W359-V442 VanDerWaalsContact CD1-CG1 3.45Å; H424-V442 PolarHBondContact CE1-O 3.47Å; H424-V442 VanDerWaalsContact CE1-O 3.28Å; H424-V442 PolarHBondContact NE2-O 3.45Å; L440-V442 HydrophobicContact CB-CB 4.15Å; L440-V442 HydrophobicContact CB-CG2 3.73Å; L440-V442 HydrophobicContact CD1-CG2 4.48Å; L440-V442 PolarHBondContact O-N 3.13Å; V442-R444 PolarHBondContact O-N 3.04Å
443P75.3Confident72.7Confident45 Ų4561.9 Ų61.929%0.29233%0.328SS..  trans-54.3139.6-179.521.9-35.2000112.5W359 H360 C363 H424W359-P443 PolarHBondContact NE1-O 2.86Å; W359-P443 VanDerWaalsContact NE1-O 3.12Å; H360-P443 HydrophobicContact CB-CG 4.24Å; C363-P443 HydrophobicContact CB-CB 3.86Å; C363-P443 HydrophobicContact CB-CG 4.06Å; C363-P443 PolarHBondContact SG-O 3.48Å; H424-P443 PolarHBondContact NE2-O 3.09Å
444R74.8Confident73.3Confident170 Ų17065.9 Ų65.964%0.64235%0.345SS*.  trans-82.1144170.4-64.7-176.4-176.9158.91.5109.7Q439 V442Q439-R444 VanDerWaalsContact OE1-CZ 3.3Å; Q439-R444 VanDerWaalsContact OE1-NE 3.14Å; V442-R444 PolarHBondContact O-N 3.04Å
445L77Confident74Confident8 Ų862.3 Ų62.34%0.04232%0.318CS..  trans-95.9114.7174-179.366.3000109.6W359 I362 L370 C428 F429 V447W359-L445 HydrophobicContact CH2-CB 4.08Å; W359-L445 HydrophobicContact CH2-CD2 3.93Å; W359-L445 HydrophobicContact CZ2-CB 3.9Å; W359-L445 HydrophobicContact CZ3-CD2 4.35Å; I362-L445 HydrophobicContact CG2-CD1 3.98Å; I362-L445 HydrophobicContact CG2-CD2 3.86Å; L370-L445 HydrophobicContact CD1-CD1 3.96Å; C428-L445 HydrophobicContact CB-CB 4.15Å; F429-L445 HydrophobicContact CE1-CD2 3.87Å; F429-L445 HydrophobicContact CZ-CD2 4.02Å; L445-V447 HydrophobicContact CB-CG2 4.39Å; L445-V447 HydrophobicContact CD2-CG2 3.63Å; L445-V447 HydrophobicContact CG-CG2 3.61Å; L445-V447 PolarHBondContact O-N 3.39Å
446S71Confident74.7Confident114 Ų11461.6 Ų61.680%0.79731%0.314SS*.  trans-75.9115.8166.7550000109.5
447V73.8Confident75.3Confident31 Ų3157.7 Ų57.719%0.18830%0.295CS..  trans-112134.3-176.4-172.90000109.7F429 L445 L451 L452F429-V447 HydrophobicContact CD1-CG2 3.82Å; F429-V447 HydrophobicContact CE1-CG2 3.87Å; L445-V447 HydrophobicContact CB-CG2 4.39Å; L445-V447 HydrophobicContact CD2-CG2 3.63Å; L445-V447 HydrophobicContact CG-CG2 3.61Å; L445-V447 PolarHBondContact O-N 3.39Å; V447-L451 HydrophobicContact CG1-CB 3.91Å; V447-L451 HydrophobicContact CG1-CD2 3.78Å; V447-L451 HydrophobicContact CG1-CG 4.33Å; V447-L452 HydrophobicContact CB-CD2 4.36Å; V447-L452 HydrophobicContact CB-CG 4.38Å; V447-L452 HydrophobicContact CG1-CD2 3.8Å; V447-L452 HydrophobicContact CG1-CG 3.74Å
448S75.6Confident75.9Confident48 Ų4858.6 Ų58.634%0.33630%0.304SS..  trans-74.2141.717364.60000111.3Q450 L451 L452S448-Q450 PolarHBondContact O-N 3.49Å; S448-Q450 VanDerWaalsContact O-N 3.12Å; S448-L451 WeakPolarHBondContact O-CA 3.26Å; S448-L451 WeakPolarHBondContact O-CB 3.19Å; S448-L451 PolarHBondContact O-N 2.67Å; S448-L452 PolarHBondContact O-N 3.15Å
449N81.1Confident76.7Confident55 Ų5554.6 Ų54.629%0.29429%0.285SS..Hα-helixtrans-50-37.5176.6-81.64000113.4L451 L452 T453 I508 I512N449-L451 PolarHBondContact O-N 3.14Å; N449-L452 PolarHBondContact O-N 3.08Å; N449-T453 WeakPolarHBondContact O-CB 3.45Å; N449-T453 PolarHBondContact O-N 2.92Å; N449-T453 VanDerWaalsContact O-N 3.13Å; N449-T453 PolarHBondContact O-OG1 3.14Å; N449-I508 HydrophobicContact CB-CG2 3.53Å; N449-I508 WeakPolarHBondContact O-CG2 3.31Å; N449-I512 HydrophobicContact CB-CD1 4.17Å; N449-I512 HydrophobicContact CB-CG1 4.46Å; N449-I512 WeakPolarHBondContact O-CD1 3.41Å
450Q77.6Confident77.8Confident85 Ų8550.7 Ų50.740%0.39727%0.267SS..Hα-helixtrans-63.4-37.9174.2-64.9-178.20.100112.9S448 Q454 I512S448-Q450 PolarHBondContact O-N 3.49Å; S448-Q450 VanDerWaalsContact O-N 3.12Å; Q450-Q454 WeakPolarHBondContact O-CB 3.42Å; Q450-Q454 VanDerWaalsContact O-CG 3.24Å; Q450-Q454 WeakPolarHBondContact O-CG 3.48Å; Q450-Q454 PolarHBondContact O-N 3.02Å; Q450-I512 HydrophobicContact CG-CD1 4.36Å; Q450-I512 HydrophobicContact CG-CG1 4.35Å; Q450-I512 HydrophobicContact CG-CG2 4.39Å
451L78.2Confident78.4Confident4 Ų450.2 Ų50.22%0.02127%0.265CS..Hα-helixtrans-69.2-42.1178.9-164.678.1000111.9L370 I371 F374 V447 S448 N449 N455L370-L451 HydrophobicContact CB-CD2 4.24Å; I371-L451 HydrophobicContact CB-CD1 4.27Å; I371-L451 HydrophobicContact CG1-CD1 3.84Å; F374-L451 HydrophobicContact CB-CD1 4.41Å; F374-L451 HydrophobicContact CD2-CD1 4.12Å; F374-L451 HydrophobicContact CD2-CD2 4.11Å; F374-L451 HydrophobicContact CD2-CG 4.06Å; V447-L451 HydrophobicContact CG1-CB 3.91Å; V447-L451 HydrophobicContact CG1-CD2 3.78Å; V447-L451 HydrophobicContact CG1-CG 4.33Å; S448-L451 WeakPolarHBondContact O-CA 3.26Å; S448-L451 WeakPolarHBondContact O-CB 3.19Å; S448-L451 PolarHBondContact O-N 2.67Å; N449-L451 PolarHBondContact O-N 3.14Å; L451-N455 WeakPolarHBondContact O-CB 3.47Å; L451-N455 PolarHBondContact O-N 2.92Å; L451-N455 VanDerWaalsContact O-N 3.12Å; L451-N455 PolarHBondContact O-ND2 2.96Å
452L80.7Confident79Confident2 Ų241.7 Ų41.71%0.0122%0.22CC..Hα-helixtrans-58.6-48.4175.3-68.8174.9000110.9F429 V447 S448 N449 N455 S456 L459 Y504 L505 I508F429-L452 HydrophobicContact CB-CD2 4.26Å; F429-L452 HydrophobicContact CD1-CD2 3.86Å; V447-L452 HydrophobicContact CB-CD2 4.36Å; V447-L452 HydrophobicContact CB-CG 4.38Å; V447-L452 HydrophobicContact CG1-CD2 3.8Å; V447-L452 HydrophobicContact CG1-CG 3.74Å; S448-L452 PolarHBondContact O-N 3.15Å; N449-L452 PolarHBondContact O-N 3.08Å; L452-N455 CarbonylContact O-C 3.59Å; L452-N455 PolarHBondContact O-N 3.47Å; L452-S456 WeakPolarHBondContact O-CA 3.4Å; L452-S456 PolarHBondContact O-N 3.37Å; L452-L459 HydrophobicContact CD2-CD1 3.82Å; L452-Y504 HydrophobicContact CD1-CE1 3.92Å; L452-L505 HydrophobicContact CB-CD2 4.07Å; L452-I508 HydrophobicContact CD1-CD1 3.59Å
453T80Confident79.7Confident7 Ų740 Ų404%0.04321%0.21CC..Hα-helixtrans-61.5-53-179.2-61.70000111.8N449 N455 S456 I508 I512 A539 V543N449-T453 WeakPolarHBondContact O-CB 3.45Å; N449-T453 PolarHBondContact O-N 2.92Å; N449-T453 VanDerWaalsContact O-N 3.13Å; N449-T453 PolarHBondContact O-OG1 3.14Å; T453-N455 PolarHBondContact O-N 2.93Å; T453-S456 WeakPolarHBondContact O-CB 3.38Å; T453-S456 PolarHBondContact O-N 3.31Å; T453-S456 PolarHBondContact O-OG 3.07Å; T453-I508 WeakPolarHBondContact OG1-CG2 3.29Å; T453-I512 HydrophobicContact CG2-CD1 4.15Å; T453-I512 WeakPolarHBondContact OG1-CD1 3.13Å; T453-A539 HydrophobicContact CG2-CB 4.03Å; T453-V543 HydrophobicContact CG2-CG2 3.79Å
454Q77.1Confident80.1Confident102 Ų10238.1 Ų38.148%0.47720%0.197SC..Hα-helixtrans-64.8-22.6-179-71.2174.813.800113.9Q450Q450-Q454 WeakPolarHBondContact O-CB 3.42Å; Q450-Q454 VanDerWaalsContact O-CG 3.24Å; Q450-Q454 WeakPolarHBondContact O-CG 3.48Å; Q450-Q454 PolarHBondContact O-N 3.02Å
455N80.2Confident80.4Confident22 Ų2231.6 Ų31.612%0.11817%0.173CC..THydrogen-bonded Turntrans-122.728.1-177.3-55.2-87.7000112.2F374 L451 L452 T453 Y457 P458 L459F374-N455 HydrophobicContact CD1-CB 4.18Å; F374-N455 WeakPolarHBondContact CD1-OD1 3.35Å; F374-N455 HydrophobicContact CD2-CB 3.9Å; F374-N455 HydrophobicContact CE1-CB 3.79Å; F374-N455 WeakPolarHBondContact CE1-OD1 3.02Å; F374-N455 HydrophobicContact CE2-CB 3.46Å; F374-N455 VanDerWaalsContact CE2-CB 3.46Å; F374-N455 HydrophobicContact CG-CB 4.25Å; F374-N455 VanDerWaalsContact CG-OD1 3.29Å; F374-N455 WeakPolarHBondContact CG-OD1 3.35Å; F374-N455 HydrophobicContact CZ-CB 3.42Å; F374-N455 VanDerWaalsContact CZ-CB 3.42Å; L451-N455 WeakPolarHBondContact O-CB 3.47Å; L451-N455 PolarHBondContact O-N 2.92Å; L451-N455 VanDerWaalsContact O-N 3.12Å; L451-N455 PolarHBondContact O-ND2 2.96Å; L452-N455 CarbonylContact O-C 3.59Å; L452-N455 PolarHBondContact O-N 3.47Å; T453-N455 PolarHBondContact O-N 2.93Å; N455-Y457 PolarHBondContact O-N 3.2Å; N455-P458 HydrophobicContact CB-CG 4.28Å; N455-P458 WeakPolarHBondContact O-CD 3.43Å; N455-P458 VanDerWaalsContact O-CG 3.3Å; N455-P458 WeakPolarHBondContact O-CG 3.42Å; N455-L459 WeakPolarHBondContact O-CG 3.34Å
456S84.1Confident80.7Confident0 Ų031.2 Ų31.20%017%0.171CC..Hα-helixtrans-56.8-45.8-179.240.40000112.7L452 T453 L459 L460 H546L452-S456 WeakPolarHBondContact O-CA 3.4Å; L452-S456 PolarHBondContact O-N 3.37Å; T453-S456 WeakPolarHBondContact O-CB 3.38Å; T453-S456 PolarHBondContact O-N 3.31Å; T453-S456 PolarHBondContact O-OG 3.07Å; S456-L459 PolarHBondContact O-N 3.03Å; S456-L460 WeakPolarHBondContact O-CB 3.48Å; S456-L460 WeakPolarHBondContact O-CD1 3.31Å; S456-L460 WeakPolarHBondContact O-CG 3.36Å; S456-L460 PolarHBondContact O-N 3.26Å; S456-H546 PolarHBondContact OG-ND1 3.39Å
457Y83.1Confident81.4Confident77 Ų7725.9 Ų25.930%0.30213%0.133SC..Hα-helixtrans-54.2-58.7-179.8-173.3-104.5000114.8N455 L459 L460 V461 H546 T549 V550N455-Y457 PolarHBondContact O-N 3.2Å; Y457-L459 PolarHBondContact O-N 2.95Å; Y457-L460 PolarHBondContact O-N 3.27Å; Y457-V461 HydrophobicContact CD1-CG2 4.18Å; Y457-V461 HydrophobicContact CD2-CG2 4.19Å; Y457-V461 HydrophobicContact CE1-CG2 3.84Å; Y457-V461 HydrophobicContact CE2-CG2 3.85Å; Y457-V461 HydrophobicContact CG-CG2 4.34Å; Y457-V461 WeakPolarHBondContact O-CB 3.49Å; Y457-V461 WeakPolarHBondContact O-CG2 3.43Å; Y457-V461 PolarHBondContact O-N 3.36Å; Y457-H546 HydrophobicContact CD2-CB 4.11Å; Y457-H546 AromaticContact CD2-CD2 3.84Å; Y457-T549 HydrophobicContact CE2-CG2 4.31Å; Y457-V550 HydrophobicContact CD2-CG2 4.01Å; Y457-V550 HydrophobicContact CE2-CG2 3.86Å
458P82.6Confident81.7Confident42 Ų4225.6 Ų25.627%0.27313%0.129SC..Hα-helixtrans-65.7-22.3-179.826.1-36.2000114.1F374 N455 G462F374-P458 HydrophobicContact CE1-CG 4.04Å; F374-P458 HydrophobicContact CZ-CG 4.19Å; N455-P458 HydrophobicContact CB-CG 4.28Å; N455-P458 WeakPolarHBondContact O-CD 3.43Å; N455-P458 VanDerWaalsContact O-CG 3.3Å; N455-P458 WeakPolarHBondContact O-CG 3.42Å; P458-G462 PolarHBondContact O-N 3.4Å
459L84.6Confident81.7Confident1 Ų123.3 Ų23.31%0.00511%0.113CC..Hα-helixtrans-74.4-46.5172.9-66.7172000111.1L382 F429 L452 N455 S456 Y457 G462 L463L382-L459 HydrophobicContact CD1-CD2 4.04Å; F429-L459 HydrophobicContact CD1-CD1 4.35Å; F429-L459 HydrophobicContact CD1-CD2 3.96Å; F429-L459 HydrophobicContact CD2-CD2 3.84Å; F429-L459 HydrophobicContact CE1-CD2 3.98Å; F429-L459 HydrophobicContact CE2-CD2 3.82Å; F429-L459 HydrophobicContact CG-CD2 3.93Å; F429-L459 HydrophobicContact CZ-CD2 3.93Å; L452-L459 HydrophobicContact CD2-CD1 3.82Å; N455-L459 WeakPolarHBondContact O-CG 3.34Å; S456-L459 PolarHBondContact O-N 3.03Å; Y457-L459 PolarHBondContact O-N 2.95Å; L459-G462 PolarHBondContact O-N 2.91Å; L459-L463 PolarHBondContact O-N 3.2Å
460L85.8Confident81.6Confident0 Ų020.9 Ų20.90%010%0.1CC..Hα-helixtrans-63.2-47.9176.4-73161.9000111.9S456 Y457 G462 L463 L464 W498 V502 L505 H546 I547 V550S456-L460 WeakPolarHBondContact O-CB 3.48Å; S456-L460 WeakPolarHBondContact O-CD1 3.31Å; S456-L460 WeakPolarHBondContact O-CG 3.36Å; S456-L460 PolarHBondContact O-N 3.26Å; Y457-L460 PolarHBondContact O-N 3.27Å; L460-G462 PolarHBondContact O-N 2.94Å; L460-L463 PolarHBondContact O-N 3.2Å; L460-L463 VanDerWaalsContact O-N 3.12Å; L460-L464 WeakPolarHBondContact O-CB 3.32Å; L460-L464 PolarHBondContact O-N 3.09Å; L460-W498 HydrophobicContact CB-CH2 4.4Å; L460-W498 HydrophobicContact CD2-CH2 3.93Å; L460-W498 HydrophobicContact CD2-CZ2 4.32Å; L460-W498 HydrophobicContact CD2-CZ3 4.42Å; L460-V502 HydrophobicContact CD2-CG2 4.33Å; L460-L505 HydrophobicContact CD1-CD1 4.25Å; L460-L505 HydrophobicContact CD2-CD1 3.88Å; L460-L505 HydrophobicContact CG-CD1 4Å; L460-H546 HydrophobicContact CD1-CB 4.12Å; L460-I547 HydrophobicContact CD1-CB 4.43Å; L460-I547 HydrophobicContact CD1-CG1 3.6Å; L460-I547 HydrophobicContact CD2-CG1 4.42Å; L460-V550 HydrophobicContact CB-CB 4.19Å; L460-V550 HydrophobicContact CB-CG1 4.16Å; L460-V550 HydrophobicContact CB-CG2 4.1Å
461V83Confident81.6Confident28 Ų2817.1 Ų17.117%0.178%0.083CC..Hα-helixtrans-58.2-36.6174.7172.20000110.6Y457 L464 Y465 V550Y457-V461 HydrophobicContact CD1-CG2 4.18Å; Y457-V461 HydrophobicContact CD2-CG2 4.19Å; Y457-V461 HydrophobicContact CE1-CG2 3.84Å; Y457-V461 HydrophobicContact CE2-CG2 3.85Å; Y457-V461 HydrophobicContact CG-CG2 4.34Å; Y457-V461 WeakPolarHBondContact O-CB 3.49Å; Y457-V461 WeakPolarHBondContact O-CG2 3.43Å; Y457-V461 PolarHBondContact O-N 3.36Å; V461-L464 WeakPolarHBondContact O-CB 3.47Å; V461-Y465 HydrophobicContact CG1-CD2 4.07Å; V461-Y465 HydrophobicContact CG1-CE2 3.79Å; V461-Y465 WeakPolarHBondContact O-CD2 3.34Å; V461-Y465 PolarHBondContact O-N 3.45Å; V461-V550 HydrophobicContact CG2-CG1 4.36Å; V461-V550 HydrophobicContact CG2-CG2 3.62Å
462G81.6Confident81.4Confident0 Ų019 Ų190%09%0.091CC..Hα-helixtrans-64.7-46.7174.400000113.3Y426 P458 L459 L460 L464 Y465 W466Y426-G462 WeakPolarHBondContact OH-CA 3.44Å; Y426-G462 PolarHBondContact OH-O 3.27Å; P458-G462 PolarHBondContact O-N 3.4Å; L459-G462 PolarHBondContact O-N 2.91Å; L460-G462 PolarHBondContact O-N 2.94Å; G462-L464 VanDerWaalsContact C-N 3.32Å; G462-L464 PolarHBondContact O-N 3.49Å; G462-Y465 PolarHBondContact O-N 2.92Å; G462-W466 PolarHBondContact O-N 2.84Å
463L85.8Confident80.9Confident0 Ų020 Ų200%010%0.095CC..Hα-helixtrans-62.4-39.6179.1-176.466.2000111.2Y426 F430 L459 L460 W466 I467 W498 C501Y426-L463 HydrophobicContact CD1-CD1 4.48Å; Y426-L463 HydrophobicContact CD2-CD1 4.12Å; Y426-L463 HydrophobicContact CE1-CB 4.45Å; Y426-L463 HydrophobicContact CG-CD1 4.13Å; Y426-L463 PolarHBondContact OH-N 3.07Å; F430-L463 HydrophobicContact CE2-CD2 4.38Å; F430-L463 HydrophobicContact CZ-CD2 4.36Å; L459-L463 PolarHBondContact O-N 3.2Å; L460-L463 PolarHBondContact O-N 3.2Å; L460-L463 VanDerWaalsContact O-N 3.12Å; L463-W466 HydrophobicContact CD1-CE3 3.87Å; L463-W466 HydrophobicContact CD1-CZ3 4.2Å; L463-W466 PolarHBondContact O-N 3.2Å; L463-I467 HydrophobicContact CD1-CD1 4.41Å; L463-I467 HydrophobicContact CG-CD1 4.04Å; L463-I467 WeakPolarHBondContact O-CB 3.49Å; L463-I467 WeakPolarHBondContact O-CG1 3.29Å; L463-I467 PolarHBondContact O-N 3.39Å; L463-W498 HydrophobicContact CB-CZ3 4.01Å; L463-W498 HydrophobicContact CD2-CE3 3.65Å; L463-W498 HydrophobicContact CD2-CZ3 3.7Å; L463-W498 HydrophobicContact CG-CE3 3.96Å; L463-W498 HydrophobicContact CG-CZ3 3.82Å; L463-C501 HydrophobicContact CD2-CB 3.63Å
464L85.7Confident80.4Confident4 Ų425.1 Ų25.12%0.02111%0.113CC..Hα-helixtrans-53.5-52.5172.5163.766.2000112.7L460 V461 G462 W466 I467 R468 V550 E553 L554L460-L464 WeakPolarHBondContact O-CB 3.32Å; L460-L464 PolarHBondContact O-N 3.09Å; V461-L464 WeakPolarHBondContact O-CB 3.47Å; G462-L464 VanDerWaalsContact C-N 3.32Å; G462-L464 PolarHBondContact O-N 3.49Å; L464-W466 VanDerWaalsContact C-N 3.33Å; L464-W466 PolarHBondContact O-N 2.78Å; L464-I467 PolarHBondContact O-N 2.95Å; L464-R468 HydrophobicContact CD1-CG 4.06Å; L464-R468 PolarHBondContact O-N 3.12Å; L464-V550 HydrophobicContact CB-CG1 3.72Å; L464-V550 HydrophobicContact CD2-CG1 3.69Å; L464-V550 HydrophobicContact CG-CG1 4.27Å; L464-E553 HydrophobicContact CD2-CB 3.7Å; L464-E553 HydrophobicContact CD2-CG 4.45Å; L464-L554 VanDerWaalsContact CD1-CA 3.42Å; L464-L554 HydrophobicContact CD1-CB 3.73Å; L464-L554 HydrophobicContact CD1-CD1 3.82Å; L464-L554 HydrophobicContact CD1-CG 4.37Å
465Y80.5Confident79.6Confident33 Ų3323.1 Ų23.113%0.12911%0.11CC..Hα-helixtrans-67.2-33.7-178.6-77.9-72000112.6L386 I392 V461 G462 S469L386-Y465 HydrophobicContact CD2-CD2 4.25Å; L386-Y465 HydrophobicContact CD2-CG 4.43Å; I392-Y465 HydrophobicContact CB-CE1 4.37Å; I392-Y465 HydrophobicContact CD1-CD2 4.07Å; I392-Y465 HydrophobicContact CD1-CE2 3.91Å; I392-Y465 HydrophobicContact CG1-CD1 4.1Å; I392-Y465 HydrophobicContact CG1-CD2 3.81Å; I392-Y465 HydrophobicContact CG1-CE1 4.04Å; I392-Y465 HydrophobicContact CG1-CE2 3.77Å; I392-Y465 HydrophobicContact CG1-CG 4.01Å; I392-Y465 HydrophobicContact CG2-CE1 4.2Å; I392-Y465 HydrophobicContact CG2-CE2 4.41Å; V461-Y465 HydrophobicContact CG1-CD2 4.07Å; V461-Y465 HydrophobicContact CG1-CE2 3.79Å; V461-Y465 WeakPolarHBondContact O-CD2 3.34Å; V461-Y465 PolarHBondContact O-N 3.45Å; G462-Y465 PolarHBondContact O-N 2.92Å; Y465-S469 PolarHBondContact O-N 2.84Å; Y465-S469 VanDerWaalsContact O-N 3.07Å; Y465-S469 PolarHBondContact O-OG 3.25Å; Y465-S469 VanDerWaalsContact O-OG 3.08Å
466W83.1Confident78.6Confident1 Ų123.7 Ų23.70%0.00412%0.116CC..Hα-helixtrans-67.4-42.7172.6176.571.5000112.1L390 V422 Q423 Y426 F437 G462 L463 L464 S469 V470 P490 I497L390-W466 HydrophobicContact CD1-CB 4.11Å; L390-W466 HydrophobicContact CD2-CB 4.32Å; V422-W466 HydrophobicContact CG1-CB 3.81Å; V422-W466 HydrophobicContact CG1-CD2 4.43Å; V422-W466 HydrophobicContact CG1-CG 3.54Å; Q423-W466 HydrophobicContact CB-CZ2 4.21Å; Q423-W466 HydrophobicContact CG-CH2 4.47Å; Q423-W466 HydrophobicContact CG-CZ2 3.87Å; Y426-W466 HydrophobicContact CD2-CB 4.47Å; Y426-W466 HydrophobicContact CD2-CD2 4.36Å; Y426-W466 HydrophobicContact CD2-CE3 4.44Å; Y426-W466 HydrophobicContact CD2-CG 4.4Å; Y426-W466 HydrophobicContact CE2-CB 3.86Å; Y426-W466 HydrophobicContact CE2-CG 4.21Å; F437-W466 HydrophobicContact CD1-CH2 4.25Å; F437-W466 AromaticContact CE1-CH2 3.98Å; F437-W466 HydrophobicContact CE1-CH2 3.98Å; F437-W466 HydrophobicContact CE1-CZ3 4.02Å; G462-W466 PolarHBondContact O-N 2.84Å; L463-W466 HydrophobicContact CD1-CE3 3.87Å; L463-W466 HydrophobicContact CD1-CZ3 4.2Å; L463-W466 PolarHBondContact O-N 3.2Å; L464-W466 VanDerWaalsContact C-N 3.33Å; L464-W466 PolarHBondContact O-N 2.78Å; W466-S469 WeakPolarHBondContact O-CB 3.04Å; W466-S469 PolarHBondContact O-N 2.9Å; W466-V470 HydrophobicContact CD2-CG2 4.25Å; W466-V470 HydrophobicContact CH2-CG2 4.47Å; W466-V470 HydrophobicContact CZ2-CG2 3.98Å; W466-V470 WeakPolarHBondContact O-CG2 3.28Å; W466-V470 PolarHBondContact O-N 3.08Å; W466-P490 HydrophobicContact CH2-CB 4.34Å; W466-P490 HydrophobicContact CH2-CG 4.24Å; W466-I497 HydrophobicContact CZ3-CG2 4.01Å
467I84.5Confident77.2Confident2 Ų228.4 Ų28.41%0.0114%0.141CC..Hα-helixtrans-61.8-49.2174.8-74.1172.8000111.1L463 L464 S469 V470 C471 V494 W498 L554L463-I467 HydrophobicContact CD1-CD1 4.41Å; L463-I467 HydrophobicContact CG-CD1 4.04Å; L463-I467 WeakPolarHBondContact O-CB 3.49Å; L463-I467 WeakPolarHBondContact O-CG1 3.29Å; L463-I467 PolarHBondContact O-N 3.39Å; L464-I467 PolarHBondContact O-N 2.95Å; I467-S469 PolarHBondContact O-N 3.23Å; I467-V470 WeakPolarHBondContact O-CA 3.12Å; I467-V470 PolarHBondContact O-N 3.38Å; I467-C471 PolarHBondContact O-N 3.3Å; I467-C471 PolarHBondContact O-SG 3.43Å; I467-V494 HydrophobicContact CG2-CB 4.47Å; I467-V494 HydrophobicContact CG2-CG1 3.31Å; I467-V494 HydrophobicContact CG2-CG2 4.38Å; I467-W498 HydrophobicContact CD1-CB 4.25Å; I467-W498 HydrophobicContact CD1-CD2 4.42Å; I467-W498 HydrophobicContact CD1-CE3 3.6Å; I467-W498 HydrophobicContact CD1-CZ3 4.34Å; I467-L554 HydrophobicContact CB-CD1 4.27Å; I467-L554 HydrophobicContact CG2-CD1 3.53Å
468R80.8Confident75.4Confident24 Ų2429.6 Ų29.69%0.09116%0.161CC..Hα-helixtrans-55.1-35.2174.9-76.6177.3167.4163.2-5.8111.8L464 K472 E553 Y570L464-R468 HydrophobicContact CD1-CG 4.06Å; L464-R468 PolarHBondContact O-N 3.12Å; R468-K472 PolarHBondContact O-N 3.38Å; R468-E553 IonicContact CZ-OE2 2.72Å; R468-E553 IonicContact NH1-OE2 2.67Å; R468-E553 PolarHBondContact NH1-OE2 3.03Å; R468-E553 VanDerWaalsContact NH1-OE2 3.1Å; R468-E553 PolarHBondContact NH2-O 3.18Å; R468-E553 IonicContact NH2-OE2 2.99Å; R468-E553 PolarHBondContact NH2-OE2 2.57Å; R468-Y570 WeakPolarHBondContact CA-O 3.13Å
469S75.7Confident73.3Confident1 Ų135.5 Ų35.51%0.00718%0.184CC..Hα-helixtrans-68.1-45.3170.9-63.20000113.2Y465 W466 I467 C471 K472 Y473Y465-S469 PolarHBondContact O-N 2.84Å; Y465-S469 VanDerWaalsContact O-N 3.07Å; Y465-S469 PolarHBondContact O-OG 3.25Å; Y465-S469 VanDerWaalsContact O-OG 3.08Å; W466-S469 WeakPolarHBondContact O-CB 3.04Å; W466-S469 PolarHBondContact O-N 2.9Å; I467-S469 PolarHBondContact O-N 3.23Å; S469-C471 VanDerWaalsContact C-N 3.34Å; S469-C471 PolarHBondContact O-N 3.19Å; S469-K472 WeakPolarHBondContact O-CB 3.28Å; S469-K472 PolarHBondContact O-N 2.82Å; S469-K472 VanDerWaalsContact O-N 3.1Å; S469-Y473 WeakPolarHBondContact O-CD2 3.39Å; S469-Y473 WeakPolarHBondContact O-CE2 3.36Å; S469-Y473 PolarHBondContact O-N 3.44Å
470V79.6Confident71.4Confident4 Ų443 Ų432%0.02422%0.224CC..Hα-helixtrans-61-40.7177.6170.30000111.8W466 I467 K472 Y473 R474 L489 P490W466-V470 HydrophobicContact CD2-CG2 4.25Å; W466-V470 HydrophobicContact CH2-CG2 4.47Å; W466-V470 HydrophobicContact CZ2-CG2 3.98Å; W466-V470 WeakPolarHBondContact O-CG2 3.28Å; W466-V470 PolarHBondContact O-N 3.08Å; I467-V470 WeakPolarHBondContact O-CA 3.12Å; I467-V470 PolarHBondContact O-N 3.38Å; V470-K472 VanDerWaalsContact C-N 3.25Å; V470-K472 PolarHBondContact O-N 2.85Å; V470-Y473 PolarHBondContact O-N 3.42Å; V470-R474 PolarHBondContact O-N 3.36Å; V470-R474 VanDerWaalsContact O-N 3.09Å; V470-L489 HydrophobicContact CG1-CD2 4.28Å; V470-P490 HydrophobicContact CG1-CG 3.86Å
471C78.1Confident69.6Low5 Ų552.2 Ų52.23%0.03427%0.268CS..Hα-helixtrans-56-41173.1-640000111.6I467 S469 R474 S475 Q569 C571I467-C471 PolarHBondContact O-N 3.3Å; I467-C471 PolarHBondContact O-SG 3.43Å; S469-C471 VanDerWaalsContact C-N 3.34Å; S469-C471 PolarHBondContact O-N 3.19Å; C471-R474 PolarHBondContact O-N 3.36Å; C471-S475 WeakPolarHBondContact O-CB 3.44Å; C471-S475 PolarHBondContact O-N 3.16Å; C471-S475 PolarHBondContact O-OG 3.26Å; C471-Q569 CarbonylContact C-O 3.6Å; C471-Q569 WeakPolarHBondContact CB-O 3.3Å; C471-C571 WeakPolarHBondContact CB-O 3.48Å
472K73.5Confident67.9Low44 Ų4455.8 Ų55.819%0.19129%0.285CS..Hα-helixtrans-61-48.5177.9-163.6-169.2-174.4166.50111.9R468 S469 V470 R474 S475 S476 Q569 Y570R468-K472 PolarHBondContact O-N 3.38Å; S469-K472 WeakPolarHBondContact O-CB 3.28Å; S469-K472 PolarHBondContact O-N 2.82Å; S469-K472 VanDerWaalsContact O-N 3.1Å; V470-K472 VanDerWaalsContact C-N 3.25Å; V470-K472 PolarHBondContact O-N 2.85Å; K472-R474 VanDerWaalsContact C-N 3.32Å; K472-R474 PolarHBondContact O-N 2.85Å; K472-S475 PolarHBondContact O-N 3.24Å; K472-S475 VanDerWaalsContact O-N 3.07Å; K472-S476 WeakPolarHBondContact O-CB 3.29Å; K472-S476 PolarHBondContact O-N 2.69Å; K472-S476 PolarHBondContact O-OG 3.03Å; K472-Q569 WeakPolarHBondContact CA-O 3.34Å; K472-Q569 HydrophobicContact CG-CB 4.02Å; K472-Q569 PolarHBondContact N-O 2.95Å; K472-Y570 HydrophobicContact CB-CD1 4.24Å; K472-Y570 HydrophobicContact CB-CE1 4.19Å; K472-Y570 HydrophobicContact CD-CE1 3.67Å; K472-Y570 WeakPolarHBondContact CE-OH 3.48Å; K472-Y570 HydrophobicContact CG-CE1 4.12Å; K472-Y570 PolarHBondContact NZ-OH 2.93Å
473Y70.2Confident66.3Low23 Ų2365 Ų659%0.0933%0.325CS..Hα-helixtrans-68.6-28.2-179.7-64.9-68.3000113.9V411 Y412 S469 V470V411-Y473 VanDerWaalsContact C-OH 3.28Å; V411-Y473 HydrophobicContact CG1-CE2 3.66Å; V411-Y473 PolarHBondContact O-OH 3.46Å; Y412-Y473 WeakPolarHBondContact CA-OH 3.3Å; S469-Y473 WeakPolarHBondContact O-CD2 3.39Å; S469-Y473 WeakPolarHBondContact O-CE2 3.36Å; S469-Y473 PolarHBondContact O-N 3.44Å; V470-Y473 PolarHBondContact O-N 3.42Å
474R69.8Low64.6Low114 Ų11467.7 Ų67.743%0.4334%0.339SS..Hα-helixtrans-64.9-43.2167.3-99.5-174176.8179.81.8111.6V470 C471 K472 E576V470-R474 PolarHBondContact O-N 3.36Å; V470-R474 VanDerWaalsContact O-N 3.09Å; C471-R474 PolarHBondContact O-N 3.36Å; K472-R474 VanDerWaalsContact C-N 3.32Å; K472-R474 PolarHBondContact O-N 2.85Å; R474-E576 IonicContact CZ-OE1 2.64Å; R474-E576 IonicContact NH1-OE1 3.3Å; R474-E576 PolarHBondContact NH1-OE1 3.21Å; R474-E576 IonicContact NH1-OE2 2.77Å; R474-E576 PolarHBondContact NH1-OE2 2.94Å; R474-E576 IonicContact NH2-OE1 2.68Å
475S60.2Low63.1Low60 Ų6073.2 Ų73.242%0.4236%0.364SS..Hα-helixtrans-73.9-35-176.5-550000112.9C471 K472 L477 Q569C471-S475 WeakPolarHBondContact O-CB 3.44Å; C471-S475 PolarHBondContact O-N 3.16Å; C471-S475 PolarHBondContact O-OG 3.26Å; K472-S475 PolarHBondContact O-N 3.24Å; K472-S475 VanDerWaalsContact O-N 3.07Å; S475-L477 VanDerWaalsContact C-N 3.29Å; S475-L477 PolarHBondContact O-N 3.39Å; S475-Q569 PolarHBondContact OG-O 2.81Å
476S59.1Low62Low35 Ų3577.3 Ų77.325%0.24539%0.393CS..THydrogen-bonded Turntrans-86.813.8-178.477.40000114.1K472 S478K472-S476 WeakPolarHBondContact O-CB 3.29Å; K472-S476 PolarHBondContact O-N 2.69Å; K472-S476 PolarHBondContact O-OG 3.03Å; S476-S478 PolarHBondContact O-N 3.03Å; S476-S478 VanDerWaalsContact O-N 3.11Å
477L55.2Low60.9Low99 Ų9982.3 Ų82.352%0.51842%0.416SS..  trans-83.930.3-174.3-149.475.2000113.4S475S475-L477 VanDerWaalsContact C-N 3.29Å; S475-L477 PolarHBondContact O-N 3.39Å
478S45.3Very low59.7Low102 Ų10282.4 Ų82.471%0.71342%0.417SS*.  trans-69.7140.9169.447.40000110.6S476 D480S476-S478 PolarHBondContact O-N 3.03Å; S476-S478 VanDerWaalsContact O-N 3.11Å; S478-D480 PolarHBondContact O-N 2.85Å
479Q38.4Very low59.1Low165 Ų16583.4 Ų83.477%0.77142%0.424SS*.SBendtrans-73.1109.8-167.5-61.6167.9-7400111.9
480D44.8Very low58.9Low158 Ų15884.3 Ų84.385%0.84543%0.43SS*.SBend173.4-26.3117.6-92.2-12.2000114S478S478-D480 PolarHBondContact O-N 2.85Å
481E46.7Very low58.5Low195 Ų19589.1 Ų89.191%0.91146%0.463SS*.SBendtrans-95.5-16.8-164.9-62.7-157.4131.600116.9
482L48.3Very low58.6Low103 Ų10390.8 Ų90.854%0.53947%0.471SS..  trans-109.9109.7-175.1-91.2134.6000113.4M484L482-M484 HydrophobicContact CB-CG 4.23Å; L482-M484 HydrophobicContact CD2-CE 4.23Å; L482-M484 HydrophobicContact CD2-CG 3.85Å; L482-M484 HydrophobicContact CD2-SD 4.26Å; L482-M484 PolarHBondContact O-N 2.94Å
483K47.2Very low59Low193 Ų19390.2 Ų90.284%0.83947%0.472SS*.  trans-75.751.2170.2-67.2-173.3178-178.80113
484M51.1Low59.7Low56 Ų5689.3 Ų89.328%0.27647%0.469SS..  trans-79.1118.3169.4-61.1-69.291.800108.5L416 L482L416-M484 HydrophobicContact CD1-CE 4.22Å; L416-M484 HydrophobicContact CD2-CE 3.76Å; L416-M484 HydrophobicContact CD2-SD 3.43Å; L416-M484 WeakPolarHBondContact CD2-SD 3.31Å; L416-M484 HydrophobicContact CG-CE 3.9Å; L416-M484 HydrophobicContact CG-SD 4.22Å; L482-M484 HydrophobicContact CB-CG 4.23Å; L482-M484 HydrophobicContact CD2-CE 4.23Å; L482-M484 HydrophobicContact CD2-CG 3.85Å; L482-M484 HydrophobicContact CD2-SD 4.26Å; L482-M484 PolarHBondContact O-N 2.94Å
485H53.6Low60.4Low120 Ų12084.5 Ų84.556%0.55645%0.452SS*.  trans-76.3138.8173.1-72.8-51.4000110.2H487 C488H485-H487 VanDerWaalsContact CB-CE1 3.42Å; H485-H487 WeakPolarHBondContact CB-CE1 3.34Å; H485-H487 WeakPolarHBondContact CB-ND1 3.48Å; H485-H487 AromaticContact CG-CE1 3.99Å; H485-H487 PolarHBondContact O-N 2.69Å; H485-C488 PolarHBondContact O-N 3.16Å
486T56.3Low61.7Low120 Ų12085.3 Ų85.374%0.73645%0.45SS*.G310 helixtrans-62.3-14.8-17543.90000114.7C488T486-C488 VanDerWaalsContact C-N 3.29Å; T486-C488 PolarHBondContact O-N 3.26Å
487H61.6Low62.9Low105 Ų10583.8 Ų83.849%0.48644%0.44SS..G310 helixtrans-72.7-16.8176.965.7-108000114.4H485 L489H485-H487 VanDerWaalsContact CB-CE1 3.42Å; H485-H487 WeakPolarHBondContact CB-CE1 3.34Å; H485-H487 WeakPolarHBondContact CB-ND1 3.48Å; H485-H487 AromaticContact CG-CE1 3.99Å; H485-H487 PolarHBondContact O-N 2.69Å; H487-L489 VanDerWaalsContact C-N 3.34Å
488C58Low64.5Low5 Ų579 Ų793%0.03442%0.415CS..G310 helixtrans-85.4-7178.8-50.70000113.2L416 L419 H485 T486L416-C488 HydrophobicContact CD2-CB 3.95Å; L419-C488 HydrophobicContact CD2-CB 4.38Å; L419-C488 WeakPolarHBondContact CD2-O 3.47Å; H485-C488 PolarHBondContact O-N 3.16Å; T486-C488 VanDerWaalsContact C-N 3.29Å; T486-C488 PolarHBondContact O-N 3.26Å
489L67.9Low66.6Low45 Ų4574.9 Ų74.924%0.23639%0.386CS..SBendtrans-95146.3172.4-72.5168.2000109.7V470 H487V470-L489 HydrophobicContact CG1-CD2 4.28Å; H487-L489 VanDerWaalsContact C-N 3.34Å
490P72.5Confident68.8Low20 Ų2067.5 Ų67.513%0.1335%0.354CS..  trans-66.1142.9174.429.3-34.4000111W466 V470 Q492 I497W466-P490 HydrophobicContact CH2-CB 4.34Å; W466-P490 HydrophobicContact CH2-CG 4.24Å; V470-P490 HydrophobicContact CG1-CG 3.86Å; P490-Q492 VanDerWaalsContact C-N 3.34Å; P490-I497 HydrophobicContact CB-CD1 3.67Å; P490-I497 HydrophobicContact CG-CD1 3.82Å
491S71.7Confident70.9Confident104 Ų10460 Ų6073%0.72731%0.314SS*.SBendtrans-79.8-15.7179.953.50000114
492Q78.7Confident72.8Confident41 Ų4150.7 Ų50.719%0.19227%0.27CS..SBendtrans-95.9155.7172.9-71170.4-34.900110.5S434 V435 P490 I496 I497S434-Q492 PolarHBondContact O-NE2 2.8Å; V435-Q492 VanDerWaalsContact CA-OE1 3.32Å; P490-Q492 VanDerWaalsContact C-N 3.34Å; Q492-I496 HydrophobicContact CB-CB 4.37Å; Q492-I496 HydrophobicContact CB-CG2 4.12Å; Q492-I496 HydrophobicContact CG-CG2 4.23Å; Q492-I497 HydrophobicContact CB-CD1 4.38Å; Q492-I497 HydrophobicContact CB-CG1 4.08Å
493S82.3Confident74.6Confident32 Ų3247.4 Ų47.422%0.22425%0.253CS..  trans-72.7162.1174.348.90000112.4D495 I496 I497 E576S493-D495 VanDerWaalsContact C-N 3.31Å; S493-D495 WeakPolarHBondContact CB-OD1 3.3Å; S493-D495 PolarHBondContact O-N 3.44Å; S493-D495 PolarHBondContact OG-OD1 3.26Å; S493-I496 PolarHBondContact O-N 3.38Å; S493-I496 VanDerWaalsContact OG-CD1 3.3Å; S493-I496 WeakPolarHBondContact OG-CD1 3.48Å; S493-I496 WeakPolarHBondContact OG-CG1 3.41Å; S493-I497 WeakPolarHBondContact O-CD1 3.23Å; S493-I497 WeakPolarHBondContact O-CG1 3.41Å; S493-I497 PolarHBondContact O-N 2.95Å; S493-E576 WeakPolarHBondContact CB-OE1 3.46Å
494V84.3Confident76.5Confident3 Ų339.3 Ų39.32%0.01822%0.217CC..Hα-helixtrans-64.3-37.9-170.1166.70000112I467 I497 W498 P572 E576I467-V494 HydrophobicContact CG2-CB 4.47Å; I467-V494 HydrophobicContact CG2-CG1 3.31Å; I467-V494 HydrophobicContact CG2-CG2 4.38Å; V494-I497 PolarHBondContact O-N 3.32Å; V494-W498 WeakPolarHBondContact O-CB 3.42Å; V494-W498 PolarHBondContact O-N 3.07Å; V494-P572 HydrophobicContact CG1-CB 4.03Å; V494-P572 HydrophobicContact CG1-CG 4.02Å; V494-E576 PolarHBondContact N-OE1 3.38Å
495D86.4Confident78.1Confident14 Ų1436.7 Ų36.78%0.07520%0.204CC..Hα-helixtrans-61.1-48.3175.161.8-26.9000112.6S493 I497 W498 C499 E576 N579 I580S493-D495 VanDerWaalsContact C-N 3.31Å; S493-D495 WeakPolarHBondContact CB-OD1 3.3Å; S493-D495 PolarHBondContact O-N 3.44Å; S493-D495 PolarHBondContact OG-OD1 3.26Å; D495-I497 VanDerWaalsContact C-N 3.29Å; D495-I497 PolarHBondContact O-N 3.09Å; D495-W498 PolarHBondContact O-N 3.08Å; D495-C499 WeakPolarHBondContact O-CB 3.45Å; D495-C499 PolarHBondContact O-N 3.4Å; D495-C499 PolarHBondContact O-SG 2.89Å; D495-E576 HydrophobicContact CB-CB 4.08Å; D495-E576 HydrophobicContact CB-CG 4.31Å; D495-N579 HydrophobicContact CB-CB 3.82Å; D495-N579 WeakPolarHBondContact OD2-CB 3.45Å; D495-N579 PolarHBondContact OD2-ND2 3.35Å; D495-I580 HydrophobicContact CB-CD1 4.47Å; D495-I580 HydrophobicContact CB-CG1 3.91Å
496I86.1Confident79.7Confident76 Ų7631 Ų3139%0.3918%0.178SC..Hα-helixtrans-59.4-42.7178.1-65.6176000110.4Q492 S493 G500Q492-I496 HydrophobicContact CB-CB 4.37Å; Q492-I496 HydrophobicContact CB-CG2 4.12Å; Q492-I496 HydrophobicContact CG-CG2 4.23Å; S493-I496 PolarHBondContact O-N 3.38Å; S493-I496 VanDerWaalsContact OG-CD1 3.3Å; S493-I496 WeakPolarHBondContact OG-CD1 3.48Å; S493-I496 WeakPolarHBondContact OG-CG1 3.41Å; I496-G500 PolarHBondContact O-N 2.96Å
497I85.6Confident81Confident3 Ų330.4 Ų30.42%0.01517%0.166CC..Hα-helixtrans-67.4-48.1180-63159.9000111V435 F437 W466 P490 Q492 S493 V494 D495 C501V435-I497 HydrophobicContact CG1-CB 4.21Å; V435-I497 HydrophobicContact CG1-CG1 3.86Å; V435-I497 HydrophobicContact CG1-CG2 4.05Å; F437-I497 HydrophobicContact CE1-CG2 4.06Å; F437-I497 HydrophobicContact CZ-CG2 4.07Å; W466-I497 HydrophobicContact CZ3-CG2 4.01Å; P490-I497 HydrophobicContact CB-CD1 3.67Å; P490-I497 HydrophobicContact CG-CD1 3.82Å; Q492-I497 HydrophobicContact CB-CD1 4.38Å; Q492-I497 HydrophobicContact CB-CG1 4.08Å; S493-I497 WeakPolarHBondContact O-CD1 3.23Å; S493-I497 WeakPolarHBondContact O-CG1 3.41Å; S493-I497 PolarHBondContact O-N 2.95Å; V494-I497 PolarHBondContact O-N 3.32Å; D495-I497 VanDerWaalsContact C-N 3.29Å; D495-I497 PolarHBondContact O-N 3.09Å; I497-C501 WeakPolarHBondContact O-CB 3.43Å; I497-C501 PolarHBondContact O-N 2.96Å; I497-C501 VanDerWaalsContact O-N 3.16Å; I497-C501 PolarHBondContact O-SG 2.97Å
498W88.9Confident82.1Confident0 Ų025.7 Ų25.70%014%0.144CC..Hα-helixtrans-62.9-51.2179.2-172.9-110.1000111.6L460 L463 I467 V494 D495 G500 C501 V502 V550 T551 L554 I580 F584L460-W498 HydrophobicContact CB-CH2 4.4Å; L460-W498 HydrophobicContact CD2-CH2 3.93Å; L460-W498 HydrophobicContact CD2-CZ2 4.32Å; L460-W498 HydrophobicContact CD2-CZ3 4.42Å; L463-W498 HydrophobicContact CB-CZ3 4.01Å; L463-W498 HydrophobicContact CD2-CE3 3.65Å; L463-W498 HydrophobicContact CD2-CZ3 3.7Å; L463-W498 HydrophobicContact CG-CE3 3.96Å; L463-W498 HydrophobicContact CG-CZ3 3.82Å; I467-W498 HydrophobicContact CD1-CB 4.25Å; I467-W498 HydrophobicContact CD1-CD2 4.42Å; I467-W498 HydrophobicContact CD1-CE3 3.6Å; I467-W498 HydrophobicContact CD1-CZ3 4.34Å; V494-W498 WeakPolarHBondContact O-CB 3.42Å; V494-W498 PolarHBondContact O-N 3.07Å; D495-W498 PolarHBondContact O-N 3.08Å; W498-G500 PolarHBondContact O-N 2.86Å; W498-C501 PolarHBondContact O-N 3.48Å; W498-V502 HydrophobicContact CD2-CG2 4.35Å; W498-V502 HydrophobicContact CG-CG2 4.48Å; W498-V502 HydrophobicContact CZ2-CG2 4.43Å; W498-V502 WeakPolarHBondContact O-CB 3.34Å; W498-V502 VanDerWaalsContact O-CG2 3.32Å; W498-V502 WeakPolarHBondContact O-CG2 3.49Å; W498-V502 PolarHBondContact O-N 3.5Å; W498-V550 HydrophobicContact CH2-CB 4.25Å; W498-V550 HydrophobicContact CH2-CG1 3.67Å; W498-V550 HydrophobicContact CZ2-CB 4.44Å; W498-V550 HydrophobicContact CZ2-CG1 4.26Å; W498-T551 WeakPolarHBondContact CZ2-OG1 3.44Å; W498-T551 PolarHBondContact NE1-OG1 3.17Å; W498-L554 HydrophobicContact CB-CD2 4.13Å; W498-L554 HydrophobicContact CD2-CD2 3.44Å; W498-L554 VanDerWaalsContact CD2-CD2 3.44Å; W498-L554 HydrophobicContact CE3-CD2 3.88Å; W498-L554 HydrophobicContact CG-CD2 3.55Å; W498-L554 HydrophobicContact CZ2-CD2 4.36Å; W498-L554 HydrophobicContact CZ3-CD2 4.48Å; W498-I580 HydrophobicContact CB-CD1 4.46Å; W498-F584 AromaticContact NE1-CE2 3.93Å; W498-F584 AromaticContact NE1-CZ 3.93Å
499C87.7Confident83.3Confident15 Ų1525.4 Ų25.410%0.10114%0.142CC..Hα-helixtrans-65.6-38.7-176.9-62.20000112.2D495 V502 N503 N583D495-C499 WeakPolarHBondContact O-CB 3.45Å; D495-C499 PolarHBondContact O-N 3.4Å; D495-C499 PolarHBondContact O-SG 2.89Å; C499-V502 PolarHBondContact O-N 3.21Å; C499-N503 VanDerWaalsContact O-CB 3.22Å; C499-N503 WeakPolarHBondContact O-CB 3.2Å; C499-N503 PolarHBondContact O-N 3.12Å; C499-N583 HydrophobicContact CB-CB 4.28Å; C499-N583 VanDerWaalsContact CB-OD1 3.31Å; C499-N583 WeakPolarHBondContact CB-OD1 3.42Å
500G85.8Confident83.9Confident10 Ų1028.6 Ų28.610%0.10315%0.154CC..Hα-helixtrans-62.1-45174.600000112.8I496 W498 Y504I496-G500 PolarHBondContact O-N 2.96Å; W498-G500 PolarHBondContact O-N 2.86Å; G500-Y504 WeakPolarHBondContact O-CB 3.44Å; G500-Y504 PolarHBondContact O-N 3.48Å; G500-Y504 VanDerWaalsContact O-N 3.15Å
501C87.8Confident84.1Confident0 Ų030.5 Ų30.50%017%0.168CC..Hα-helixtrans-65.8-39.5175.7-71.10000113F430 L463 I497 W498 L505F430-C501 HydrophobicContact CD1-CB 3.62Å; F430-C501 VanDerWaalsContact CD1-SG 3.55Å; F430-C501 HydrophobicContact CE1-CB 3.5Å; F430-C501 VanDerWaalsContact CE1-CB 3.5Å; F430-C501 HydrophobicContact CE2-CB 4.49Å; F430-C501 HydrophobicContact CG-CB 4.2Å; F430-C501 VanDerWaalsContact CG-SG 3.51Å; F430-C501 HydrophobicContact CZ-CB 3.97Å; L463-C501 HydrophobicContact CD2-CB 3.63Å; I497-C501 WeakPolarHBondContact O-CB 3.43Å; I497-C501 PolarHBondContact O-N 2.96Å; I497-C501 VanDerWaalsContact O-N 3.16Å; I497-C501 PolarHBondContact O-SG 2.97Å; W498-C501 PolarHBondContact O-N 3.48Å; C501-L505 PolarHBondContact O-N 3.07Å
502V87.5Confident84.1Confident0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-67-49.8177.6162.60000111.6L460 W498 C499 Y504 L505 L506 I547 F584 L587L460-V502 HydrophobicContact CD2-CG2 4.33Å; W498-V502 HydrophobicContact CD2-CG2 4.35Å; W498-V502 HydrophobicContact CG-CG2 4.48Å; W498-V502 HydrophobicContact CZ2-CG2 4.43Å; W498-V502 WeakPolarHBondContact O-CB 3.34Å; W498-V502 VanDerWaalsContact O-CG2 3.32Å; W498-V502 WeakPolarHBondContact O-CG2 3.49Å; W498-V502 PolarHBondContact O-N 3.5Å; C499-V502 PolarHBondContact O-N 3.21Å; V502-Y504 VanDerWaalsContact C-N 3.29Å; V502-Y504 PolarHBondContact O-N 2.88Å; V502-L505 PolarHBondContact O-N 2.98Å; V502-L506 HydrophobicContact CG1-CD1 4.04Å; V502-L506 WeakPolarHBondContact O-CG 3.36Å; V502-L506 PolarHBondContact O-N 3.46Å; V502-I547 HydrophobicContact CG1-CD1 4.23Å; V502-I547 HydrophobicContact CG1-CG2 3.73Å; V502-I547 HydrophobicContact CG2-CG2 4.09Å; V502-F584 HydrophobicContact CG1-CE2 3.96Å; V502-F584 HydrophobicContact CG1-CZ 3.9Å; V502-F584 HydrophobicContact CG2-CE2 4.34Å; V502-F584 HydrophobicContact CG2-CZ 4.17Å; V502-L587 HydrophobicContact CG1-CD1 3.86Å
503N86.5Confident83.3Confident33 Ų3329 Ų2918%0.17615%0.149CC..Hα-helixtrans-59.6-40.9179.2-170-45.5000111.1C499 L506 K507 L587C499-N503 VanDerWaalsContact O-CB 3.22Å; C499-N503 WeakPolarHBondContact O-CB 3.2Å; C499-N503 PolarHBondContact O-N 3.12Å; N503-L506 PolarHBondContact O-N 3.41Å; N503-K507 WeakPolarHBondContact O-CG 3.46Å; N503-K507 PolarHBondContact O-N 3.31Å; N503-K507 WeakPolarHBondContact OD1-CD 3.4Å; N503-K507 WeakPolarHBondContact OD1-CE 3.49Å; N503-K507 PolarHBondContact OD1-NZ 2.85Å; N503-L587 HydrophobicContact CB-CD2 4.28Å
504Y85.7Confident81.7Confident23 Ų2335.1 Ų35.19%0.0917%0.174CC..Hα-helixtrans-59-49174.2178.2-116.2000113F429 F430 E432 L452 G500 V502 L506 K507 I508F429-Y504 WeakPolarHBondContact O-CE1 3.24Å; F430-Y504 AromaticContact CD1-CD1 3.73Å; F430-Y504 HydrophobicContact CD1-CD1 3.73Å; F430-Y504 HydrophobicContact CD1-CE1 4.33Å; F430-Y504 HydrophobicContact CE1-CD1 4.38Å; E432-Y504 HydrophobicContact CB-CD2 4.3Å; E432-Y504 HydrophobicContact CB-CE2 3.46Å; E432-Y504 VanDerWaalsContact CB-CE2 3.46Å; E432-Y504 HydrophobicContact CG-CE2 4.48Å; L452-Y504 HydrophobicContact CD1-CE1 3.92Å; G500-Y504 WeakPolarHBondContact O-CB 3.44Å; G500-Y504 PolarHBondContact O-N 3.48Å; G500-Y504 VanDerWaalsContact O-N 3.15Å; V502-Y504 VanDerWaalsContact C-N 3.29Å; V502-Y504 PolarHBondContact O-N 2.88Å; Y504-L506 VanDerWaalsContact C-N 3.32Å; Y504-L506 PolarHBondContact O-N 2.92Å; Y504-K507 PolarHBondContact O-N 3.02Å; Y504-I508 HydrophobicContact CD1-CD1 3.7Å; Y504-I508 HydrophobicContact CD2-CD1 3.96Å; Y504-I508 HydrophobicContact CD2-CG1 4.36Å; Y504-I508 HydrophobicContact CE1-CD1 3.36Å; Y504-I508 HydrophobicContact CE2-CD1 3.57Å; Y504-I508 HydrophobicContact CE2-CG1 4.07Å; Y504-I508 HydrophobicContact CG-CD1 4.03Å; Y504-I508 WeakPolarHBondContact O-CG1 3.33Å; Y504-I508 PolarHBondContact O-N 3.44Å
505L86.3Confident79.9Confident1 Ų138.2 Ų38.21%0.00520%0.197CC..Hα-helixtrans-62.2-37.5176.9-73.7169.4000112.7F430 L452 L460 C501 V502 S509 V543F430-L505 HydrophobicContact CE1-CD1 3.96Å; F430-L505 HydrophobicContact CE1-CG 3.99Å; F430-L505 HydrophobicContact CZ-CD1 4.26Å; L452-L505 HydrophobicContact CB-CD2 4.07Å; L460-L505 HydrophobicContact CD1-CD1 4.25Å; L460-L505 HydrophobicContact CD2-CD1 3.88Å; L460-L505 HydrophobicContact CG-CD1 4Å; C501-L505 PolarHBondContact O-N 3.07Å; V502-L505 PolarHBondContact O-N 2.98Å; L505-S509 WeakPolarHBondContact O-CB 3.27Å; L505-S509 PolarHBondContact O-N 3.28Å; L505-S509 PolarHBondContact O-OG 2.88Å; L505-V543 HydrophobicContact CB-CG1 4.3Å
506L85.6Confident77.7Confident0 Ų041.7 Ų41.70%021%0.214CC..Hα-helixtrans-66-48.6176.5-70.7173.5000111.6V502 N503 Y504 I508 S509 K510 V543 W544 I547 L587 F591V502-L506 HydrophobicContact CG1-CD1 4.04Å; V502-L506 WeakPolarHBondContact O-CG 3.36Å; V502-L506 PolarHBondContact O-N 3.46Å; N503-L506 PolarHBondContact O-N 3.41Å; Y504-L506 VanDerWaalsContact C-N 3.32Å; Y504-L506 PolarHBondContact O-N 2.92Å; L506-I508 VanDerWaalsContact C-N 3.34Å; L506-I508 PolarHBondContact O-N 2.88Å; L506-S509 PolarHBondContact O-N 2.8Å; L506-S509 VanDerWaalsContact O-N 3.13Å; L506-S509 PolarHBondContact O-OG 2.99Å; L506-K510 PolarHBondContact O-N 3.21Å; L506-V543 HydrophobicContact CD2-CG1 4.16Å; L506-W544 HydrophobicContact CD1-CH2 3.88Å; L506-W544 HydrophobicContact CD1-CZ2 3.6Å; L506-W544 HydrophobicContact CD1-CZ3 4.45Å; L506-W544 HydrophobicContact CD2-CD2 3.79Å; L506-W544 VanDerWaalsContact CD2-CE2 3.49Å; L506-W544 HydrophobicContact CD2-CG 3.94Å; L506-W544 HydrophobicContact CD2-CZ2 4.04Å; L506-W544 HydrophobicContact CG-CZ2 4.48Å; L506-I547 HydrophobicContact CD1-CD1 4.41Å; L506-I547 HydrophobicContact CD2-CD1 3.64Å; L506-I547 HydrophobicContact CG-CD1 3.76Å; L506-L587 HydrophobicContact CD1-CB 4.28Å; L506-L587 HydrophobicContact CD1-CD1 4.03Å; L506-L587 HydrophobicContact CD1-CD2 4.09Å; L506-L587 HydrophobicContact CD1-CG 4.38Å; L506-F591 HydrophobicContact CB-CD2 4.45Å; L506-F591 HydrophobicContact CB-CE1 3.99Å; L506-F591 HydrophobicContact CB-CE2 3.91Å; L506-F591 HydrophobicContact CB-CZ 3.65Å; L506-F591 HydrophobicContact CD1-CD2 4.28Å; L506-F591 HydrophobicContact CD1-CE2 4.23Å
507K85Confident75.5Confident109 Ų10944.5 Ų44.547%0.47424%0.235SC..Hα-helixtrans-58.1-44.3175.7-76.3177.1172.5151.70112.3N503 Y504 K510 S511 F591N503-K507 WeakPolarHBondContact O-CG 3.46Å; N503-K507 PolarHBondContact O-N 3.31Å; N503-K507 WeakPolarHBondContact OD1-CD 3.4Å; N503-K507 WeakPolarHBondContact OD1-CE 3.49Å; N503-K507 PolarHBondContact OD1-NZ 2.85Å; Y504-K507 PolarHBondContact O-N 3.02Å; K507-K510 PolarHBondContact O-N 3.42Å; K507-S511 PolarHBondContact O-N 3.12Å; K507-S511 VanDerWaalsContact O-N 3.11Å; K507-F591 HydrophobicContact CG-CZ 4.05Å
508I84.5Confident73.1Confident5 Ų552.4 Ų52.43%0.02627%0.266CS..Hα-helixtrans-58.6-50.4173-71.2164.1000111.1N449 L452 T453 Y504 L506 K510 S511 I512N449-I508 HydrophobicContact CB-CG2 3.53Å; N449-I508 WeakPolarHBondContact O-CG2 3.31Å; L452-I508 HydrophobicContact CD1-CD1 3.59Å; T453-I508 WeakPolarHBondContact OG1-CG2 3.29Å; Y504-I508 HydrophobicContact CD1-CD1 3.7Å; Y504-I508 HydrophobicContact CD2-CD1 3.96Å; Y504-I508 HydrophobicContact CD2-CG1 4.36Å; Y504-I508 HydrophobicContact CE1-CD1 3.36Å; Y504-I508 HydrophobicContact CE2-CD1 3.57Å; Y504-I508 HydrophobicContact CE2-CG1 4.07Å; Y504-I508 HydrophobicContact CG-CD1 4.03Å; Y504-I508 WeakPolarHBondContact O-CG1 3.33Å; Y504-I508 PolarHBondContact O-N 3.44Å; L506-I508 VanDerWaalsContact C-N 3.34Å; L506-I508 PolarHBondContact O-N 2.88Å; I508-K510 PolarHBondContact O-N 2.89Å; I508-S511 PolarHBondContact O-N 3.26Å; I508-S511 VanDerWaalsContact O-N 3.11Å; I508-S511 PolarHBondContact O-OG 3.04Å; I508-I512 HydrophobicContact CG2-CD1 3.61Å; I508-I512 HydrophobicContact CG2-CG1 4.47Å; I508-I512 WeakPolarHBondContact O-CG1 3.32Å; I508-I512 PolarHBondContact O-N 3.5Å; I508-I512 VanDerWaalsContact O-N 3.15Å
509S83.1Confident70.6Confident0 Ų060.7 Ų60.70%030%0.302CS..Hα-helixtrans-62.5-31.8-176.272.90000113L505 L506 Q513 I540L505-S509 WeakPolarHBondContact O-CB 3.27Å; L505-S509 PolarHBondContact O-N 3.28Å; L505-S509 PolarHBondContact O-OG 2.88Å; L506-S509 PolarHBondContact O-N 2.8Å; L506-S509 VanDerWaalsContact O-N 3.13Å; L506-S509 PolarHBondContact O-OG 2.99Å; S509-Q513 PolarHBondContact O-N 3.2Å; S509-I540 VanDerWaalsContact OG-CG1 3.31Å; S509-I540 WeakPolarHBondContact OG-CG1 3.24Å
510K80Confident67.8Low112 Ų11270 Ų7049%0.48734%0.341SS..Hα-helixtrans-64.2-52.4170.5-173.5-179.8176.7-176.10111.5L506 K507 I508 I512 Q513 I540 F591L506-K510 PolarHBondContact O-N 3.21Å; K507-K510 PolarHBondContact O-N 3.42Å; I508-K510 PolarHBondContact O-N 2.89Å; K510-I512 PolarHBondContact O-N 2.94Å; K510-I512 VanDerWaalsContact O-N 3.16Å; K510-Q513 WeakPolarHBondContact O-CB 3.5Å; K510-Q513 PolarHBondContact O-N 3.42Å; K510-I540 HydrophobicContact CB-CD1 4.14Å; K510-F591 HydrophobicContact CB-CE1 4.22Å; K510-F591 HydrophobicContact CD-CD1 4.44Å; K510-F591 HydrophobicContact CD-CE1 4.05Å
511S77.6Confident65.4Low60 Ų6074.8 Ų74.842%0.4237%0.368SS..Hα-helixtrans-59.9-28.2-178.971.70000114.3K507 I508K507-S511 PolarHBondContact O-N 3.12Å; K507-S511 VanDerWaalsContact O-N 3.11Å; I508-S511 PolarHBondContact O-N 3.26Å; I508-S511 VanDerWaalsContact O-N 3.11Å; I508-S511 PolarHBondContact O-OG 3.04Å
512I71.9Confident62.7Low13 Ų1379.9 Ų79.97%0.06740%0.399CS..Hα-helixtrans-76.3-32.7177.6-66.7157.1000111.3N449 Q450 T453 I508 K510 E514 S515 L516N449-I512 HydrophobicContact CB-CD1 4.17Å; N449-I512 HydrophobicContact CB-CG1 4.46Å; N449-I512 WeakPolarHBondContact O-CD1 3.41Å; Q450-I512 HydrophobicContact CG-CD1 4.36Å; Q450-I512 HydrophobicContact CG-CG1 4.35Å; Q450-I512 HydrophobicContact CG-CG2 4.39Å; T453-I512 HydrophobicContact CG2-CD1 4.15Å; T453-I512 WeakPolarHBondContact OG1-CD1 3.13Å; I508-I512 HydrophobicContact CG2-CD1 3.61Å; I508-I512 HydrophobicContact CG2-CG1 4.47Å; I508-I512 WeakPolarHBondContact O-CG1 3.32Å; I508-I512 PolarHBondContact O-N 3.5Å; I508-I512 VanDerWaalsContact O-N 3.15Å; K510-I512 PolarHBondContact O-N 2.94Å; K510-I512 VanDerWaalsContact O-N 3.16Å; I512-E514 PolarHBondContact O-N 3.34Å; I512-S515 PolarHBondContact O-N 3.4Å; I512-S515 PolarHBondContact O-OG 3.19Å; I512-L516 HydrophobicContact CG2-CD1 4.34Å
513Q59.9Low60.1Low99 Ų9985.4 Ų85.446%0.46344%0.435SS..Hα-helixtrans-65.7-29.2-174.2-173161.7-36.200112.5S509 K510 S515S509-Q513 PolarHBondContact O-N 3.2Å; K510-Q513 WeakPolarHBondContact O-CB 3.5Å; K510-Q513 PolarHBondContact O-N 3.42Å; Q513-S515 VanDerWaalsContact C-N 3.26Å; Q513-S515 PolarHBondContact O-N 3.24Å
514E50.3Low57.7Low161 Ų16188.9 Ų88.975%0.75245%0.449SS*.THydrogen-bonded Turntrans-71.9-16.4175.2-70.2160.8-170.900113I512I512-E514 PolarHBondContact O-N 3.34Å
515S45.2Very low55.1Low69 Ų6994.7 Ų94.748%0.48348%0.477SS..THydrogen-bonded Turntrans-103.9-7.8-173.873.30000116.3I512 Q513 T517I512-S515 PolarHBondContact O-N 3.4Å; I512-S515 PolarHBondContact O-OG 3.19Å; Q513-S515 VanDerWaalsContact C-N 3.26Å; Q513-S515 PolarHBondContact O-N 3.24Å; S515-T517 PolarHBondContact O-N 2.91Å; S515-T517 VanDerWaalsContact O-N 3.13Å
516L41.4Very low52.3Low86 Ų8696.5 Ų96.545%0.4549%0.489SS..  trans-95.262.3-154.2-152.580.4000115.9I512 Y518I512-L516 HydrophobicContact CG2-CD1 4.34Å; L516-Y518 PolarHBondContact O-N 2.95Å
517T39.9Very low49.6Very low135 Ų135102.8 Ų102.883%0.82853%0.531SS*.  trans-62.2110163.551.70000110.3S515 K519S515-T517 PolarHBondContact O-N 2.91Å; S515-T517 VanDerWaalsContact O-N 3.13Å; T517-K519 PolarHBondContact O-N 3.22Å
518Y35Very low47Very low169 Ų169101.6 Ų101.666%0.66354%0.536SS*.  trans-56.8105.1-167.2-85.4-90.2000115.2L516L516-Y518 PolarHBondContact O-N 2.95Å
519K35.3Very low44.5Very low175 Ų175107.3 Ų107.376%0.76157%0.566SS**  trans-84.4130.3146.6-94.7172.9-179.3160.40109.4T517 V521T517-K519 PolarHBondContact O-N 3.22Å; K519-V521 VanDerWaalsContact C-N 3.31Å; K519-V521 PolarHBondContact O-N 3.21Å
520K29.6Very low41.9Very low211 Ų211112.7 Ų112.792%0.91760%0.604SS**  trans-7768.2-165.2-163.3170.2-171.9164.60113.7
521V35.2Very low39.5Very low110 Ų110112.2 Ų112.267%0.66761%0.61SS**PPolyproline II helixtrans-72.9139.3171.7-177.40000109.8K519K519-V521 VanDerWaalsContact C-N 3.31Å; K519-V521 PolarHBondContact O-N 3.21Å
522T30.4Very low37.3Very low106 Ų106117.7 Ų117.765%0.6562%0.621SS**PPolyproline II helixtrans-72.5132.4-178.347.50000111.9F524T522-F524 PolarHBondContact O-N 3.48Å
523P33.7Very low35.5Very low117 Ų117122.8 Ų122.876%0.7665%0.653SS**PPolyproline II helixtrans-66.6127.4-176.826.4-34.3000112.2Q525P523-Q525 PolarHBondContact O-N 2.8Å
524F35.5Very low33.9Very low105 Ų105122.3 Ų122.346%0.46166%0.66SS.*  trans-8586.2-178.2-87.1-71.1000111.8R375 T522 S526R375-F524 VanDerWaalsContact NH2-C 3.27Å; R375-F524 PolarHBondContact NH2-O 2.85Å; T522-F524 PolarHBondContact O-N 3.48Å; F524-S526 PolarHBondContact O-N 2.81Å
525Q31Very low33Very low145 Ų145121.4 Ų121.468%0.67866%0.661SS**  trans-52.3123.5-179.5-68.7-179.4-69.700114.1R375 P523R375-Q525 PolarHBondContact NH1-O 3.05Å; R375-Q525 VanDerWaalsContact NH2-C 3.34Å; R375-Q525 PolarHBondContact NH2-O 3.38Å; P523-Q525 PolarHBondContact O-N 2.8Å
526S28.8Very low32.6Very low39 Ų39123.2 Ų123.227%0.27367%0.673SS.*  trans-65.8131163.7-53.50000109.6F524 S528F524-S526 PolarHBondContact O-N 2.81Å; S526-S528 PolarHBondContact O-N 3.4Å
527P28.6Very low33Very low133 Ų133122.2 Ų122.286%0.86467%0.673SS**THydrogen-bonded Turntrans-79.762.9-17634.1-36.4000112.3
528S29.4Very low34.2Very low84 Ų84117 Ų11759%0.58764%0.643SS**THydrogen-bonded Turntrans-161.1-31.7172.7520000112.7S526 S530S526-S528 PolarHBondContact O-N 3.4Å; S528-S530 PolarHBondContact O-N 3Å
529L33.7Very low35.9Very low124 Ų124110.2 Ų110.265%0.64962%0.621SS**  trans-87.988173.2-77.8162.9000110.6
530S26.6Very low38.1Very low114 Ų114102.9 Ų102.980%0.79759%0.59SS**  trans-98.641.9-176.163.70000114.5S528S528-S530 PolarHBondContact O-N 3Å
531V31.2Very low40.4Very low101 Ų10193.2 Ų93.261%0.61255%0.548SS*.  trans-120.1154.9170.9-173.40000110.4
532R30.2Very low42.5Very low176 Ų17690.1 Ų90.166%0.66453%0.53SS*.  trans-84.9166.5-175.4-60.3-168.6-163.6156.325110.8E1613R532-E1613 VanDerWaalsContact CD-OE1 3.28Å; R532-E1613 WeakPolarHBondContact CD-OE1 3.21Å; R532-E1613 IonicContact CZ-OE1 2.87Å; R532-E1613 IonicContact CZ-OE2 2.69Å; R532-E1613 IonicContact NE-OE1 2.83Å; R532-E1613 PolarHBondContact NE-OE1 3.45Å; R532-E1613 IonicContact NH1-OE1 3.16Å; R532-E1613 PolarHBondContact NH1-OE1 3.27Å; R532-E1613 IonicContact NH1-OE2 3.88Å; R532-E1613 PolarHBondContact NH1-OE2 3.47Å; R532-E1613 IonicContact NH2-OE1 3.64Å; R532-E1613 PolarHBondContact NH2-OE1 2.88Å; R532-E1613 IonicContact NH2-OE2 3.35Å; R532-E1613 PolarHBondContact NH2-OE2 3.33Å
533V34.2Very low45Very low120 Ų12085 Ų8573%0.72750%0.499SS*.  cis-165.3142.7-13.5126.10000108.7
534S27.6Very low47.5Very low89 Ų8979.5 Ų79.562%0.62246%0.463SS*.  trans39.7133.4154.8-51.30000122.9
535N31.2Very low49.7Very low142 Ų14278.3 Ų78.376%0.75946%0.458SS*.SBendtrans106.7132.4155.9-54.3-22000116.2S537N535-S537 VanDerWaalsContact C-N 3.33Å; N535-S537 PolarHBondContact O-N 2.86Å
536S36.4Very low52.3Low107 Ų10772.7 Ų72.775%0.74843%0.432SS*.  trans57.48.5159.847.70000121
537S49.2Very low55Low65 Ų6570.9 Ų70.946%0.45542%0.419SS..  trans-68.7138.516754.20000112N535N535-S537 VanDerWaalsContact C-N 3.33Å; N535-S537 PolarHBondContact O-N 2.86Å
538S65.1Low57.6Low26 Ų2664.7 Ų64.718%0.18238%0.379CS..  trans-75.4152.6-175.867.40000112.6I540 L541 T542S538-I540 VanDerWaalsContact C-N 3.3Å; S538-I540 PolarHBondContact O-N 2.89Å; S538-I540 WeakPolarHBondContact OG-CG2 3.15Å; S538-L541 PolarHBondContact O-N 3.1Å; S538-L541 VanDerWaalsContact OG-CB 3.29Å; S538-L541 WeakPolarHBondContact OG-CB 3.37Å; S538-L541 PolarHBondContact OG-N 2.87Å; S538-T542 PolarHBondContact O-N 3.48Å
539A71.8Confident60.2Low26 Ų2664.2 Ų64.222%0.21537%0.373CS..Hα-helixtrans-61.5-42176.400000111.2T453 L541 T542 V543T453-A539 HydrophobicContact CG2-CB 4.03Å; A539-L541 VanDerWaalsContact C-N 3.35Å; A539-L541 PolarHBondContact O-N 2.86Å; A539-T542 PolarHBondContact O-N 3.19Å; A539-T542 PolarHBondContact O-OG1 3.24Å; A539-V543 PolarHBondContact O-N 3.31Å; A539-V543 VanDerWaalsContact O-N 3.16Å
540I80.5Confident62.6Low20 Ų2058.4 Ų58.410%0.10334%0.342CS..Hα-helixtrans-62.3-37.1179.3-165.3153.3000112.7S509 K510 S538 V543 W544 F591S509-I540 VanDerWaalsContact OG-CG1 3.31Å; S509-I540 WeakPolarHBondContact OG-CG1 3.24Å; K510-I540 HydrophobicContact CB-CD1 4.14Å; S538-I540 VanDerWaalsContact C-N 3.3Å; S538-I540 PolarHBondContact O-N 2.89Å; S538-I540 WeakPolarHBondContact OG-CG2 3.15Å; I540-V543 PolarHBondContact O-N 2.81Å; I540-W544 WeakPolarHBondContact O-CB 3.35Å; I540-W544 PolarHBondContact O-N 3.48Å; I540-F591 HydrophobicContact CD1-CD1 3.61Å; I540-F591 HydrophobicContact CD1-CE1 4.15Å
541L77.8Confident65.4Low8 Ų853 Ų534%0.04231%0.305CS..Hα-helixtrans-57.3-52.1173172.765.9000111.6S538 A539 V543 W544 Q545 E597 L601S538-L541 PolarHBondContact O-N 3.1Å; S538-L541 VanDerWaalsContact OG-CB 3.29Å; S538-L541 WeakPolarHBondContact OG-CB 3.37Å; S538-L541 PolarHBondContact OG-N 2.87Å; A539-L541 VanDerWaalsContact C-N 3.35Å; A539-L541 PolarHBondContact O-N 2.86Å; L541-V543 PolarHBondContact O-N 3.28Å; L541-W544 WeakPolarHBondContact O-CB 3.38Å; L541-W544 PolarHBondContact O-N 2.87Å; L541-W544 VanDerWaalsContact O-N 3.1Å; L541-Q545 HydrophobicContact CD1-CG 4.08Å; L541-Q545 HydrophobicContact CG-CG 4.39Å; L541-Q545 WeakPolarHBondContact O-CG 3.27Å; L541-Q545 PolarHBondContact O-N 3.06Å; L541-E597 HydrophobicContact CD1-CB 3.63Å; L541-E597 HydrophobicContact CD1-CG 3.96Å; L541-E597 WeakPolarHBondContact CD1-OE2 3.12Å; L541-E597 HydrophobicContact CD2-CG 4.11Å; L541-E597 WeakPolarHBondContact CD2-OE1 3.26Å; L541-E597 WeakPolarHBondContact CD2-OE2 3.39Å; L541-L601 HydrophobicContact CD1-CD1 4.44Å
542T79.8Confident67.8Low45 Ų4548.6 Ų48.628%0.27628%0.278SS..Hα-helixtrans-63.9-35.5-175.263.80000111.2S538 A539 H546S538-T542 PolarHBondContact O-N 3.48Å; A539-T542 PolarHBondContact O-N 3.19Å; A539-T542 PolarHBondContact O-OG1 3.24Å; T542-H546 PolarHBondContact O-CE1 2.9Å; T542-H546 PolarHBondContact O-N 3.43Å; T542-H546 VanDerWaalsContact O-N 3.14Å; T542-H546 PolarHBondContact O-ND1 3.14Å
543V83.8Confident70.3Confident0 Ų043.1 Ų43.10%026%0.26CS..Hα-helixtrans-65.2-46.2172.3170.10000110.9T453 L505 L506 A539 I540 L541 Q545 H546 I547T453-V543 HydrophobicContact CG2-CG2 3.79Å; L505-V543 HydrophobicContact CB-CG1 4.3Å; L506-V543 HydrophobicContact CD2-CG1 4.16Å; A539-V543 PolarHBondContact O-N 3.31Å; A539-V543 VanDerWaalsContact O-N 3.16Å; I540-V543 PolarHBondContact O-N 2.81Å; L541-V543 PolarHBondContact O-N 3.28Å; V543-Q545 PolarHBondContact O-N 3.24Å; V543-H546 PolarHBondContact O-N 2.9Å; V543-I547 HydrophobicContact CG1-CD1 3.42Å; V543-I547 VanDerWaalsContact CG1-CD1 3.42Å; V543-I547 HydrophobicContact CG1-CG1 4.25Å; V543-I547 WeakPolarHBondContact O-CB 3.46Å; V543-I547 WeakPolarHBondContact O-CD1 3.46Å; V543-I547 WeakPolarHBondContact O-CG1 3.35Å; V543-I547 PolarHBondContact O-N 3.07Å
544W84.4Confident72.6Confident0 Ų037.4 Ų37.40%023%0.226CC..Hα-helixtrans-58.9-45174.9-93.1113.6000113.7L506 I540 L541 H546 I547 V548 F584 L587 L588 F591 L593 L601L506-W544 HydrophobicContact CD1-CH2 3.88Å; L506-W544 HydrophobicContact CD1-CZ2 3.6Å; L506-W544 HydrophobicContact CD1-CZ3 4.45Å; L506-W544 HydrophobicContact CD2-CD2 3.79Å; L506-W544 VanDerWaalsContact CD2-CE2 3.49Å; L506-W544 HydrophobicContact CD2-CG 3.94Å; L506-W544 HydrophobicContact CD2-CZ2 4.04Å; L506-W544 HydrophobicContact CG-CZ2 4.48Å; I540-W544 WeakPolarHBondContact O-CB 3.35Å; I540-W544 PolarHBondContact O-N 3.48Å; L541-W544 WeakPolarHBondContact O-CB 3.38Å; L541-W544 PolarHBondContact O-N 2.87Å; L541-W544 VanDerWaalsContact O-N 3.1Å; W544-H546 VanDerWaalsContact C-N 3.34Å; W544-H546 PolarHBondContact O-N 3.45Å; W544-I547 PolarHBondContact O-N 3.32Å; W544-V548 HydrophobicContact CE3-CG2 4.19Å; W544-V548 PolarHBondContact O-N 3.49Å; W544-F584 HydrophobicContact CZ3-CD1 4.48Å; W544-L587 HydrophobicContact CH2-CB 3.65Å; W544-L587 HydrophobicContact CZ2-CB 4.1Å; W544-L588 HydrophobicContact CE3-CD2 4.14Å; W544-L588 HydrophobicContact CH2-CD2 3.63Å; W544-L588 HydrophobicContact CH2-CG 3.71Å; W544-L588 HydrophobicContact CZ2-CD2 4.04Å; W544-L588 HydrophobicContact CZ2-CG 4.43Å; W544-L588 HydrophobicContact CZ3-CD2 3.69Å; W544-L588 HydrophobicContact CZ3-CG 3.97Å; W544-F591 HydrophobicContact CZ2-CB 4.07Å; W544-F591 HydrophobicContact CZ2-CD2 4.39Å; W544-F591 HydrophobicContact CZ2-CG 4.47Å; W544-L593 HydrophobicContact CD2-CD1 4.09Å; W544-L593 HydrophobicContact CG-CD1 3.95Å; W544-L593 HydrophobicContact CG-CD2 4.35Å; W544-L601 HydrophobicContact CB-CD1 3.93Å; W544-L601 HydrophobicContact CB-CD2 4.35Å; W544-L601 HydrophobicContact CG-CD1 4.48Å
545Q82.4Confident75.1Confident80 Ų8033.5 Ų33.537%0.37420%0.198SC..Hα-helixtrans-60.5-42.9176.7-72.7176.5-18.400111.7L541 V543 T549 L601L541-Q545 HydrophobicContact CD1-CG 4.08Å; L541-Q545 HydrophobicContact CG-CG 4.39Å; L541-Q545 WeakPolarHBondContact O-CG 3.27Å; L541-Q545 PolarHBondContact O-N 3.06Å; V543-Q545 PolarHBondContact O-N 3.24Å; Q545-T549 WeakPolarHBondContact O-CB 3.43Å; Q545-T549 PolarHBondContact O-N 3.19Å; Q545-T549 VanDerWaalsContact O-N 3.12Å; Q545-T549 PolarHBondContact O-OG1 2.99Å; Q545-L601 HydrophobicContact CB-CD2 4.47Å; Q545-L601 HydrophobicContact CG-CD2 3.96Å
546H85.2Confident77Confident28 Ų2828 Ų2813%0.1317%0.167CC..Hα-helixtrans-63.9-44173.4-60.4154.6000112S456 Y457 L460 T542 V543 W544 V550S456-H546 PolarHBondContact OG-ND1 3.39Å; Y457-H546 HydrophobicContact CD2-CB 4.11Å; Y457-H546 AromaticContact CD2-CD2 3.84Å; L460-H546 HydrophobicContact CD1-CB 4.12Å; T542-H546 PolarHBondContact O-CE1 2.9Å; T542-H546 PolarHBondContact O-N 3.43Å; T542-H546 VanDerWaalsContact O-N 3.14Å; T542-H546 PolarHBondContact O-ND1 3.14Å; V543-H546 PolarHBondContact O-N 2.9Å; W544-H546 VanDerWaalsContact C-N 3.34Å; W544-H546 PolarHBondContact O-N 3.45Å; H546-V550 VanDerWaalsContact O-CG2 3.3Å; H546-V550 WeakPolarHBondContact O-CG2 3.47Å; H546-V550 PolarHBondContact O-N 3.19Å; H546-V550 VanDerWaalsContact O-N 3.11Å
547I86.2Confident78.1Confident0 Ų023.7 Ų23.70%014%0.137CC..Hα-helixtrans-62.8-48.8-179.5-73.4165.7000111.3L460 V502 L506 V543 W544 V550 T551 F584L460-I547 HydrophobicContact CD1-CB 4.43Å; L460-I547 HydrophobicContact CD1-CG1 3.6Å; L460-I547 HydrophobicContact CD2-CG1 4.42Å; V502-I547 HydrophobicContact CG1-CD1 4.23Å; V502-I547 HydrophobicContact CG1-CG2 3.73Å; V502-I547 HydrophobicContact CG2-CG2 4.09Å; L506-I547 HydrophobicContact CD1-CD1 4.41Å; L506-I547 HydrophobicContact CD2-CD1 3.64Å; L506-I547 HydrophobicContact CG-CD1 3.76Å; V543-I547 HydrophobicContact CG1-CD1 3.42Å; V543-I547 VanDerWaalsContact CG1-CD1 3.42Å; V543-I547 HydrophobicContact CG1-CG1 4.25Å; V543-I547 WeakPolarHBondContact O-CB 3.46Å; V543-I547 WeakPolarHBondContact O-CD1 3.46Å; V543-I547 WeakPolarHBondContact O-CG1 3.35Å; V543-I547 PolarHBondContact O-N 3.07Å; W544-I547 PolarHBondContact O-N 3.32Å; I547-V550 PolarHBondContact O-N 3.28Å; I547-T551 VanDerWaalsContact O-CB 3.25Å; I547-T551 WeakPolarHBondContact O-CB 3.5Å; I547-T551 PolarHBondContact O-N 2.96Å; I547-T551 PolarHBondContact O-OG1 2.92Å; I547-F584 HydrophobicContact CG2-CE1 3.5Å; I547-F584 VanDerWaalsContact CG2-CE1 3.5Å; I547-F584 HydrophobicContact CG2-CZ 3.39Å
548V82.9Confident78.3Confident4 Ų422.2 Ų22.22%0.02413%0.126CC..Hα-helixtrans-62.9-48.3178.5171.40000110.5W544 V550 T551 C552 L601W544-V548 HydrophobicContact CE3-CG2 4.19Å; W544-V548 PolarHBondContact O-N 3.49Å; V548-V550 VanDerWaalsContact C-N 3.32Å; V548-V550 PolarHBondContact O-N 2.77Å; V548-T551 PolarHBondContact O-N 3.21Å; V548-C552 WeakPolarHBondContact O-CB 3.46Å; V548-C552 PolarHBondContact O-N 3.2Å; V548-C552 PolarHBondContact O-SG 2.89Å; V548-L601 HydrophobicContact CB-CD2 4.03Å; V548-L601 HydrophobicContact CG2-CB 4.4Å; V548-L601 HydrophobicContact CG2-CD2 3.78Å
549T83.8Confident77.5Confident73 Ų7327.9 Ų27.945%0.44815%0.149SC..Hα-helixtrans-53.1-48.5178.9-56.60000112Y457 Q545 E553Y457-T549 HydrophobicContact CE2-CG2 4.31Å; Q545-T549 WeakPolarHBondContact O-CB 3.43Å; Q545-T549 PolarHBondContact O-N 3.19Å; Q545-T549 VanDerWaalsContact O-N 3.12Å; Q545-T549 PolarHBondContact O-OG1 2.99Å; T549-E553 PolarHBondContact O-N 2.62Å
550V84.5Confident75.8Confident2 Ų233.3 Ų33.31%0.01217%0.174CC..Hα-helixtrans-80.4-24.3-176.1-1710000112.4Y457 L460 V461 L464 W498 H546 I547 V548 E553 L554Y457-V550 HydrophobicContact CD2-CG2 4.01Å; Y457-V550 HydrophobicContact CE2-CG2 3.86Å; L460-V550 HydrophobicContact CB-CB 4.19Å; L460-V550 HydrophobicContact CB-CG1 4.16Å; L460-V550 HydrophobicContact CB-CG2 4.1Å; V461-V550 HydrophobicContact CG2-CG1 4.36Å; V461-V550 HydrophobicContact CG2-CG2 3.62Å; L464-V550 HydrophobicContact CB-CG1 3.72Å; L464-V550 HydrophobicContact CD2-CG1 3.69Å; L464-V550 HydrophobicContact CG-CG1 4.27Å; W498-V550 HydrophobicContact CH2-CB 4.25Å; W498-V550 HydrophobicContact CH2-CG1 3.67Å; W498-V550 HydrophobicContact CZ2-CB 4.44Å; W498-V550 HydrophobicContact CZ2-CG1 4.26Å; H546-V550 VanDerWaalsContact O-CG2 3.3Å; H546-V550 WeakPolarHBondContact O-CG2 3.47Å; H546-V550 PolarHBondContact O-N 3.19Å; H546-V550 VanDerWaalsContact O-N 3.11Å; I547-V550 PolarHBondContact O-N 3.28Å; V548-V550 VanDerWaalsContact C-N 3.32Å; V548-V550 PolarHBondContact O-N 2.77Å; V550-E553 WeakPolarHBondContact O-CB 3.35Å; V550-E553 PolarHBondContact O-N 3.06Å; V550-L554 PolarHBondContact O-N 2.9Å
551T84.6Confident73.4Confident1 Ų139.4 Ų39.41%0.00621%0.205CC..Hα-helixtrans-74.7-39.2174-56.20000111.7W498 I547 V548 E553 L554 I555 I580 F584W498-T551 WeakPolarHBondContact CZ2-OG1 3.44Å; W498-T551 PolarHBondContact NE1-OG1 3.17Å; I547-T551 VanDerWaalsContact O-CB 3.25Å; I547-T551 WeakPolarHBondContact O-CB 3.5Å; I547-T551 PolarHBondContact O-N 2.96Å; I547-T551 PolarHBondContact O-OG1 2.92Å; V548-T551 PolarHBondContact O-N 3.21Å; T551-E553 VanDerWaalsContact C-N 3.29Å; T551-E553 PolarHBondContact O-N 3.44Å; T551-L554 WeakPolarHBondContact O-CB 3.46Å; T551-L554 PolarHBondContact O-N 3.39Å; T551-L554 VanDerWaalsContact O-N 3.13Å; T551-I555 HydrophobicContact CG2-CD1 3.85Å; T551-I555 WeakPolarHBondContact O-CG1 3.46Å; T551-I555 PolarHBondContact O-N 3.21Å; T551-I580 HydrophobicContact CG2-CG2 3.62Å; T551-F584 HydrophobicContact CG2-CD1 4.26Å; T551-F584 HydrophobicContact CG2-CD2 4.43Å; T551-F584 HydrophobicContact CG2-CE1 3.74Å; T551-F584 HydrophobicContact CG2-CE2 3.96Å; T551-F584 HydrophobicContact CG2-CZ 3.6Å; T551-F584 WeakPolarHBondContact OG1-CE1 3.48Å; T551-F584 WeakPolarHBondContact OG1-CZ 3.46Å
552C81.7Confident71.2Confident8 Ų843.9 Ų43.95%0.05423%0.233CC..Hα-helixtrans-57.7-44170-70.20000110.8V548 I555 Q556 K608V548-C552 WeakPolarHBondContact O-CB 3.46Å; V548-C552 PolarHBondContact O-N 3.2Å; V548-C552 PolarHBondContact O-SG 2.89Å; C552-I555 PolarHBondContact O-N 3.29Å; C552-Q556 WeakPolarHBondContact O-CB 3.19Å; C552-Q556 PolarHBondContact O-N 3.48Å; C552-K608 HydrophobicContact CB-CB 4.09Å; C552-K608 HydrophobicContact CB-CD 4.25Å; C552-K608 HydrophobicContact CB-CG 3.8Å
553E82.7Confident68.8Low62 Ų6247.5 Ų47.529%0.2926%0.26SS..Hα-helixtrans-59.4-46.2170-86.2-76.4155.500113.1L464 R468 T549 V550 T551 I555 Q556L464-E553 HydrophobicContact CD2-CB 3.7Å; L464-E553 HydrophobicContact CD2-CG 4.45Å; R468-E553 IonicContact CZ-OE2 2.72Å; R468-E553 IonicContact NH1-OE2 2.67Å; R468-E553 PolarHBondContact NH1-OE2 3.03Å; R468-E553 VanDerWaalsContact NH1-OE2 3.1Å; R468-E553 PolarHBondContact NH2-O 3.18Å; R468-E553 IonicContact NH2-OE2 2.99Å; R468-E553 PolarHBondContact NH2-OE2 2.57Å; T549-E553 PolarHBondContact O-N 2.62Å; V550-E553 WeakPolarHBondContact O-CB 3.35Å; V550-E553 PolarHBondContact O-N 3.06Å; T551-E553 VanDerWaalsContact C-N 3.29Å; T551-E553 PolarHBondContact O-N 3.44Å; E553-I555 PolarHBondContact O-N 3.16Å; E553-Q556 PolarHBondContact O-N 3.16Å
554L82.8Confident66.6Low0 Ų052.3 Ų52.30%029%0.286CS..Hα-helixtrans-58-38.6-179.6178.357.3000112.9L464 I467 W498 V550 T551 P572 I580L464-L554 VanDerWaalsContact CD1-CA 3.42Å; L464-L554 HydrophobicContact CD1-CB 3.73Å; L464-L554 HydrophobicContact CD1-CD1 3.82Å; L464-L554 HydrophobicContact CD1-CG 4.37Å; I467-L554 HydrophobicContact CB-CD1 4.27Å; I467-L554 HydrophobicContact CG2-CD1 3.53Å; W498-L554 HydrophobicContact CB-CD2 4.13Å; W498-L554 HydrophobicContact CD2-CD2 3.44Å; W498-L554 VanDerWaalsContact CD2-CD2 3.44Å; W498-L554 HydrophobicContact CE3-CD2 3.88Å; W498-L554 HydrophobicContact CG-CD2 3.55Å; W498-L554 HydrophobicContact CZ2-CD2 4.36Å; W498-L554 HydrophobicContact CZ3-CD2 4.48Å; V550-L554 PolarHBondContact O-N 2.9Å; T551-L554 WeakPolarHBondContact O-CB 3.46Å; T551-L554 PolarHBondContact O-N 3.39Å; T551-L554 VanDerWaalsContact O-N 3.13Å; L554-P572 HydrophobicContact CD1-CG 3.88Å; L554-P572 HydrophobicContact CG-CG 4.08Å; L554-P572 WeakPolarHBondContact O-CD 3.37Å; L554-I580 HydrophobicContact CD2-CD1 3.91Å
555I80.1Confident64.6Low6 Ų657 Ų573%0.03131%0.31CS..Hα-helixtrans-83.3-31-177.8-68170.1000111.4T551 C552 E553 I580 I581 L612T551-I555 HydrophobicContact CG2-CD1 3.85Å; T551-I555 WeakPolarHBondContact O-CG1 3.46Å; T551-I555 PolarHBondContact O-N 3.21Å; C552-I555 PolarHBondContact O-N 3.29Å; E553-I555 PolarHBondContact O-N 3.16Å; I555-I580 HydrophobicContact CD1-CG2 4.02Å; I555-I581 HydrophobicContact CD1-CD1 4.3Å; I555-I581 HydrophobicContact CD1-CG1 3.78Å; I555-L612 HydrophobicContact CG2-CB 4.15Å; I555-L612 HydrophobicContact CG2-CD1 3.76Å; I555-L612 HydrophobicContact CG2-CD2 3.54Å; I555-L612 HydrophobicContact CG2-CG 4.01Å
556Q70.5Confident62.9Low26 Ų2657.8 Ų57.812%0.12132%0.317CS..SBendtrans-71.8127.5-174.4-178.7172.8-18.300112.3C552 E553 H559C552-Q556 WeakPolarHBondContact O-CB 3.19Å; C552-Q556 PolarHBondContact O-N 3.48Å; E553-Q556 PolarHBondContact O-N 3.16Å; Q556-H559 PolarHBondContact NE2-CE1 3.28Å; Q556-H559 PolarHBondContact NE2-NE2 3.4Å
557P59.8Low61.3Low18 Ų1859.1 Ų59.112%0.11733%0.327CS..PPolyproline II helixtrans-63.4133.3168.6-15.427.7000110.6H559 F615P557-H559 PolarHBondContact O-N 3Å; P557-F615 HydrophobicContact CB-CD1 4.21Å; P557-F615 HydrophobicContact CB-CD2 4.15Å; P557-F615 HydrophobicContact CB-CE1 3.94Å; P557-F615 HydrophobicContact CB-CE2 3.89Å; P557-F615 HydrophobicContact CB-CG 4.31Å; P557-F615 HydrophobicContact CB-CZ 3.78Å; P557-F615 HydrophobicContact CG-CB 4.2Å; P557-F615 HydrophobicContact CG-CD1 3.37Å; P557-F615 HydrophobicContact CG-CD2 3.88Å; P557-F615 HydrophobicContact CG-CE1 3.55Å; P557-F615 HydrophobicContact CG-CE2 4.04Å; P557-F615 HydrophobicContact CG-CG 3.54Å; P557-F615 HydrophobicContact CG-CZ 3.89Å
558P54.9Low59.6Low34 Ų3461.9 Ų61.922%0.22134%0.341CS..PPolyproline II helixtrans-59.8131.9175.123.9-31.5000110.3T567P558-T567 HydrophobicContact CG-CG2 3.86Å
559H48.3Very low58.5Low145 Ų14563.6 Ų63.667%0.67135%0.349SS*.PPolyproline II helixtrans-61.1143.5-170.8-75.3-67.8000113.1Q556 P557 I561Q556-H559 PolarHBondContact NE2-CE1 3.28Å; Q556-H559 PolarHBondContact NE2-NE2 3.4Å; P557-H559 PolarHBondContact O-N 3Å; H559-I561 PolarHBondContact O-N 3.11Å; H559-I561 VanDerWaalsContact O-N 3.07Å
560L34.2Very low57.7Low139 Ų13961.5 Ų61.573%0.72833%0.333SS*.  trans-63.7107.2-175.3-71.178.2000112.2
561I32.1Very low56.9Low148 Ų14862.5 Ų62.576%0.75934%0.339SS*.  trans-130.9128.2154.2-54179.9000106.1H559H559-I561 PolarHBondContact O-N 3.11Å; H559-I561 VanDerWaalsContact O-N 3.07Å
562T30.1Very low56.7Low103 Ų10362.8 Ų62.863%0.63234%0.341SS*.SBendtrans65.6164.3-162.985.70000115.1
563S30.3Very low56.4Low120 Ų12063.6 Ų63.684%0.83935%0.347SS*.  trans-108.920.8-161.453.70000114
564D36.3Very low56.1Low102 Ų10261.7 Ų61.755%0.54534%0.34SS..  trans-92.7132.7-170-69-49.3000113.5D566 T567D564-D566 PolarHBondContact O-N 2.87Å; D564-T567 PolarHBondContact O-N 3.35Å; D564-T567 PolarHBondContact O-OG1 2.96Å
565L43.3Very low56Low98 Ų9864 Ų6451%0.51336%0.357SS..G310 helixtrans-65.3-19.3-173.1-16168.4000113.4T567 F626L565-T567 PolarHBondContact O-N 3.1Å; L565-T567 VanDerWaalsContact O-N 3.15Å; L565-F626 HydrophobicContact CD2-CE1 4.05Å; L565-F626 HydrophobicContact CD2-CE2 4.1Å; L565-F626 HydrophobicContact CD2-CZ 3.58Å
566D45.8Very low56.2Low96 Ų9664.4 Ų64.451%0.51336%0.358SS..G310 helixtrans-61.9-19.4178.1-71.5-38.1000113.7D564 M568 Q569D564-D566 PolarHBondContact O-N 2.87Å; D566-M568 PolarHBondContact O-N 2.86Å; D566-Q569 WeakPolarHBondContact O-CB 3.21Å; D566-Q569 VanDerWaalsContact O-CG 3.31Å; D566-Q569 WeakPolarHBondContact O-CG 3.24Å; D566-Q569 PolarHBondContact O-N 2.86Å; D566-Q569 VanDerWaalsContact O-N 3.12Å; D566-Q569 PolarHBondContact OD1-NE2 3.24Å
567T52.3Low56.9Low57 Ų5763.3 Ų63.335%0.3535%0.353SS..G310 helixtrans-58.9-30.3-176.3-520000113.2P558 D564 L565 Q569P558-T567 HydrophobicContact CG-CG2 3.86Å; D564-T567 PolarHBondContact O-N 3.35Å; D564-T567 PolarHBondContact O-OG1 2.96Å; L565-T567 PolarHBondContact O-N 3.1Å; L565-T567 VanDerWaalsContact O-N 3.15Å; T567-Q569 VanDerWaalsContact C-N 3.3Å; T567-Q569 PolarHBondContact O-N 3.41Å
568M50.6Low58.1Low58 Ų5862.4 Ų62.429%0.28635%0.348SS..G310 helixtrans-72.8-16.7179.8-88.3-67.3-104.900114.6D566 Y570 F615 E619D566-M568 PolarHBondContact O-N 2.86Å; M568-Y570 PolarHBondContact O-N 3.07Å; M568-Y570 VanDerWaalsContact O-N 3.1Å; M568-F615 HydrophobicContact CE-CE1 3.62Å; M568-F615 HydrophobicContact CE-CZ 4.03Å; M568-F615 HydrophobicContact CG-CZ 4.44Å; M568-F615 HydrophobicContact SD-CE1 3.53Å; M568-F615 VanDerWaalsContact SD-CE1 3.53Å; M568-F615 HydrophobicContact SD-CZ 3.54Å; M568-F615 VanDerWaalsContact SD-CZ 3.54Å; M568-E619 VanDerWaalsContact CE-OE1 3.23Å; M568-E619 WeakPolarHBondContact CE-OE1 3.39Å; M568-E619 VanDerWaalsContact CE-OE2 3.3Å; M568-E619 WeakPolarHBondContact CE-OE2 3.5Å
569Q60.5Low59.6Low40 Ų4063.5 Ų63.519%0.18735%0.351CS..G310 helixtrans-66.2-16.5-173.7-63.3171.19.300113.9C471 K472 S475 D566 T567C471-Q569 CarbonylContact C-O 3.6Å; C471-Q569 WeakPolarHBondContact CB-O 3.3Å; K472-Q569 WeakPolarHBondContact CA-O 3.34Å; K472-Q569 HydrophobicContact CG-CB 4.02Å; K472-Q569 PolarHBondContact N-O 2.95Å; S475-Q569 PolarHBondContact OG-O 2.81Å; D566-Q569 WeakPolarHBondContact O-CB 3.21Å; D566-Q569 VanDerWaalsContact O-CG 3.31Å; D566-Q569 WeakPolarHBondContact O-CG 3.24Å; D566-Q569 PolarHBondContact O-N 2.86Å; D566-Q569 VanDerWaalsContact O-N 3.12Å; D566-Q569 PolarHBondContact OD1-NE2 3.24Å; T567-Q569 VanDerWaalsContact C-N 3.3Å; T567-Q569 PolarHBondContact O-N 3.41Å
570Y65.5Low61.5Low29 Ų2956.6 Ų56.611%0.11432%0.319CS..G310 helixtrans-91.2-13.8-172.9-60.6-81.6000114.9P395 Y412 R468 K472 M568P395-Y570 HydrophobicContact CB-CE1 4.37Å; Y412-Y570 AromaticContact CE1-CE1 3.56Å; Y412-Y570 HydrophobicContact CE1-CE1 3.56Å; Y412-Y570 AromaticContact CE1-CZ 3.97Å; Y412-Y570 AromaticContact CZ-CE1 3.86Å; R468-Y570 WeakPolarHBondContact CA-O 3.13Å; K472-Y570 HydrophobicContact CB-CD1 4.24Å; K472-Y570 HydrophobicContact CB-CE1 4.19Å; K472-Y570 HydrophobicContact CD-CE1 3.67Å; K472-Y570 WeakPolarHBondContact CE-OH 3.48Å; K472-Y570 HydrophobicContact CG-CE1 4.12Å; K472-Y570 PolarHBondContact NZ-OH 2.93Å; M568-Y570 PolarHBondContact O-N 3.07Å; M568-Y570 VanDerWaalsContact O-N 3.1Å
571C69.5Low64.1Low22 Ų2250 Ų5015%0.14929%0.285CS..SBendtrans-86.2152.6-178.4-63.30000111.6C471C471-C571 WeakPolarHBondContact CB-O 3.48Å
572P79.3Confident66.8Low8 Ų846.8 Ų46.85%0.05227%0.267CS..PPolyproline II helixtrans-59.4157.8164-16.630.3000110.7V494 L554 E576V494-P572 HydrophobicContact CG1-CB 4.03Å; V494-P572 HydrophobicContact CG1-CG 4.02Å; L554-P572 HydrophobicContact CD1-CG 3.88Å; L554-P572 HydrophobicContact CG-CG 4.08Å; L554-P572 WeakPolarHBondContact O-CD 3.37Å; P572-E576 HydrophobicContact CB-CB 4.05Å
573S75.1Confident69.5Low24 Ų2443.6 Ų43.617%0.16825%0.246CC..PPolyproline II helixtrans-60.8158.6174.367.70000111.4S575 E576 S577S573-S575 PolarHBondContact O-N 2.71Å; S573-S575 PolarHBondContact OG-OG 3.26Å; S573-E576 VanDerWaalsContact CB-OE2 3.32Å; S573-E576 WeakPolarHBondContact CB-OE2 3.18Å; S573-E576 PolarHBondContact N-OE2 3.47Å; S573-E576 VanDerWaalsContact N-OE2 3.13Å; S573-E576 PolarHBondContact O-N 2.93Å; S573-E576 VanDerWaalsContact O-N 3.14Å; S573-E576 WeakPolarHBondContact OG-CB 3.47Å; S573-E576 VanDerWaalsContact OG-CG 3.31Å; S573-E576 WeakPolarHBondContact OG-CG 3.42Å; S573-E576 PolarHBondContact OG-N 3.08Å; S573-E576 PolarHBondContact OG-OE2 3.21Å; S573-S577 PolarHBondContact O-N 3.02Å; S573-S577 PolarHBondContact O-OG 2.55Å; S573-S577 VanDerWaalsContact O-OG 3.09Å
574P77.9Confident72.3Confident23 Ų2337.9 Ų37.915%0.14921%0.206CC..Hα-helixtrans-54.1-42.7177.3-24.631.4000112.5S577 L578 W616 I649P574-S577 PolarHBondContact O-N 3.37Å; P574-L578 VanDerWaalsContact O-CG 3.28Å; P574-L578 WeakPolarHBondContact O-CG 3.38Å; P574-L578 PolarHBondContact O-N 3.46Å; P574-W616 HydrophobicContact CB-CH2 4Å; P574-W616 HydrophobicContact CB-CZ2 3.79Å; P574-W616 HydrophobicContact CG-CZ2 4.46Å; P574-I649 HydrophobicContact CB-CG2 4.26Å; P574-I649 HydrophobicContact CG-CG1 3.9Å; P574-I649 HydrophobicContact CG-CG2 4.48Å
575S79.9Confident74.6Confident49 Ų4933.2 Ų33.234%0.34318%0.181SC..Hα-helixtrans-63.3-42.1177.871.90000113.2S573 L578 N579S573-S575 PolarHBondContact O-N 2.71Å; S573-S575 PolarHBondContact OG-OG 3.26Å; S575-L578 PolarHBondContact O-N 3Å; S575-N579 PolarHBondContact O-N 3.33Å; S575-N579 PolarHBondContact O-OD1 2.93Å; S575-N579 VanDerWaalsContact O-OD1 3.12Å
576E84.5Confident76.7Confident13 Ų1333.1 Ų33.16%0.06118%0.178CC..Hα-helixtrans-68.1-41.1176.1-73.5166.2128.700111.3R474 S493 V494 D495 P572 S573 L578 N579 I580R474-E576 IonicContact CZ-OE1 2.64Å; R474-E576 IonicContact NH1-OE1 3.3Å; R474-E576 PolarHBondContact NH1-OE1 3.21Å; R474-E576 IonicContact NH1-OE2 2.77Å; R474-E576 PolarHBondContact NH1-OE2 2.94Å; R474-E576 IonicContact NH2-OE1 2.68Å; S493-E576 WeakPolarHBondContact CB-OE1 3.46Å; V494-E576 PolarHBondContact N-OE1 3.38Å; D495-E576 HydrophobicContact CB-CB 4.08Å; D495-E576 HydrophobicContact CB-CG 4.31Å; P572-E576 HydrophobicContact CB-CB 4.05Å; S573-E576 VanDerWaalsContact CB-OE2 3.32Å; S573-E576 WeakPolarHBondContact CB-OE2 3.18Å; S573-E576 PolarHBondContact N-OE2 3.47Å; S573-E576 VanDerWaalsContact N-OE2 3.13Å; S573-E576 PolarHBondContact O-N 2.93Å; S573-E576 VanDerWaalsContact O-N 3.14Å; S573-E576 WeakPolarHBondContact OG-CB 3.47Å; S573-E576 VanDerWaalsContact OG-CG 3.31Å; S573-E576 WeakPolarHBondContact OG-CG 3.42Å; S573-E576 PolarHBondContact OG-N 3.08Å; S573-E576 PolarHBondContact OG-OE2 3.21Å; E576-L578 VanDerWaalsContact C-N 3.31Å; E576-L578 PolarHBondContact O-N 2.89Å; E576-N579 PolarHBondContact O-N 3.24Å; E576-N579 VanDerWaalsContact O-N 3.13Å; E576-I580 WeakPolarHBondContact O-CG1 3.35Å; E576-I580 PolarHBondContact O-N 3.48Å
577S83.9Confident78.5Confident3 Ų328.6 Ų28.62%0.02115%0.154CC..Hα-helixtrans-59-42.3174.9-62.10000111.8S573 P574 I580 I581S573-S577 PolarHBondContact O-N 3.02Å; S573-S577 PolarHBondContact O-OG 2.55Å; S573-S577 VanDerWaalsContact O-OG 3.09Å; P574-S577 PolarHBondContact O-N 3.37Å; S577-I580 PolarHBondContact O-N 3.09Å; S577-I581 WeakPolarHBondContact O-CG1 3.37Å; S577-I581 PolarHBondContact O-N 3.49Å; S577-I581 VanDerWaalsContact O-N 3.07Å
578L85.1Confident80Confident0 Ų026 Ų260%014%0.138CC..Hα-helixtrans-70.9-29.9175.4-68.2168.1000113.1P574 S575 E576 Q582 W616 D653 R656 W657 Q660P574-L578 VanDerWaalsContact O-CG 3.28Å; P574-L578 WeakPolarHBondContact O-CG 3.38Å; P574-L578 PolarHBondContact O-N 3.46Å; S575-L578 PolarHBondContact O-N 3Å; E576-L578 VanDerWaalsContact C-N 3.31Å; E576-L578 PolarHBondContact O-N 2.89Å; L578-Q582 VanDerWaalsContact O-CB 3.22Å; L578-Q582 WeakPolarHBondContact O-CB 3.41Å; L578-Q582 PolarHBondContact O-N 3.29Å; L578-W616 HydrophobicContact CD1-CH2 4.27Å; L578-W616 HydrophobicContact CD1-CZ3 4.17Å; L578-W616 HydrophobicContact CD2-CH2 4.18Å; L578-W616 HydrophobicContact CD2-CZ3 4.09Å; L578-W616 HydrophobicContact CG-CH2 3.92Å; L578-W616 HydrophobicContact CG-CZ3 4.12Å; L578-D653 HydrophobicContact CD1-CB 3.82Å; L578-D653 VanDerWaalsContact CD1-O 3.24Å; L578-D653 WeakPolarHBondContact CD1-O 3.38Å; L578-R656 HydrophobicContact CD1-CB 4.05Å; L578-W657 HydrophobicContact CD2-CB 3.8Å; L578-Q660 PolarHBondContact O-NE2 2.9Å; L578-Q660 PolarHBondContact O-OE1 3.48Å
579N88Confident81.5Confident56 Ų5628.2 Ų28.230%0.29915%0.147SC..Hα-helixtrans-70-37.7173.2-67.8-3.7000111.1D495 S575 E576 Q582 N583 R656D495-N579 HydrophobicContact CB-CB 3.82Å; D495-N579 WeakPolarHBondContact OD2-CB 3.45Å; D495-N579 PolarHBondContact OD2-ND2 3.35Å; S575-N579 PolarHBondContact O-N 3.33Å; S575-N579 PolarHBondContact O-OD1 2.93Å; S575-N579 VanDerWaalsContact O-OD1 3.12Å; E576-N579 PolarHBondContact O-N 3.24Å; E576-N579 VanDerWaalsContact O-N 3.13Å; N579-Q582 PolarHBondContact O-N 3.44Å; N579-N583 WeakPolarHBondContact O-CB 3.46Å; N579-N583 PolarHBondContact O-N 2.88Å; N579-R656 PolarHBondContact OD1-NH1 3.26Å; N579-R656 PolarHBondContact OD1-NH2 2.89Å
580I88.4Confident82.5Confident0 Ų031.4 Ų31.40%016%0.162CC..Hα-helixtrans-62-51.5173-66.2162.7000110.6D495 W498 T551 L554 I555 E576 S577 Q582 N583 F584D495-I580 HydrophobicContact CB-CD1 4.47Å; D495-I580 HydrophobicContact CB-CG1 3.91Å; W498-I580 HydrophobicContact CB-CD1 4.46Å; T551-I580 HydrophobicContact CG2-CG2 3.62Å; L554-I580 HydrophobicContact CD2-CD1 3.91Å; I555-I580 HydrophobicContact CD1-CG2 4.02Å; E576-I580 WeakPolarHBondContact O-CG1 3.35Å; E576-I580 PolarHBondContact O-N 3.48Å; S577-I580 PolarHBondContact O-N 3.09Å; I580-Q582 VanDerWaalsContact C-N 3.31Å; I580-Q582 PolarHBondContact O-N 2.89Å; I580-N583 PolarHBondContact O-N 3.12Å; I580-F584 HydrophobicContact CG2-CD2 4.03Å; I580-F584 HydrophobicContact CG2-CE2 4.09Å; I580-F584 VanDerWaalsContact O-CD2 3.26Å; I580-F584 WeakPolarHBondContact O-CD2 3.43Å; I580-F584 PolarHBondContact O-N 3.37Å
581I87.2Confident83Confident1 Ų130.6 Ų30.61%0.00516%0.159CC..Hα-helixtrans-59.2-43178.2-65.3166.9000111I555 S577 N583 F584 I585 L612 Q660 L664I555-I581 HydrophobicContact CD1-CD1 4.3Å; I555-I581 HydrophobicContact CD1-CG1 3.78Å; S577-I581 WeakPolarHBondContact O-CG1 3.37Å; S577-I581 PolarHBondContact O-N 3.49Å; S577-I581 VanDerWaalsContact O-N 3.07Å; I581-N583 PolarHBondContact O-N 3.29Å; I581-F584 PolarHBondContact O-N 2.86Å; I581-I585 HydrophobicContact CG2-CD1 4.12Å; I581-I585 WeakPolarHBondContact O-CG1 3.06Å; I581-I585 PolarHBondContact O-N 2.97Å; I581-L612 HydrophobicContact CD1-CD2 3.9Å; I581-Q660 HydrophobicContact CG2-CB 4.12Å; I581-L664 HydrophobicContact CG2-CD1 4.25Å
582Q89.1Confident83.2Confident81 Ų8139.2 Ų39.238%0.37919%0.194SC..Hα-helixtrans-61.5-42.7177.1-172.8169.9-30.300112.9L578 N579 I580 F584 I585 Q586L578-Q582 VanDerWaalsContact O-CB 3.22Å; L578-Q582 WeakPolarHBondContact O-CB 3.41Å; L578-Q582 PolarHBondContact O-N 3.29Å; N579-Q582 PolarHBondContact O-N 3.44Å; I580-Q582 VanDerWaalsContact C-N 3.31Å; I580-Q582 PolarHBondContact O-N 2.89Å; Q582-F584 VanDerWaalsContact C-N 3.34Å; Q582-I585 PolarHBondContact O-N 2.66Å; Q582-Q586 WeakPolarHBondContact O-CG 3.49Å; Q582-Q586 PolarHBondContact O-N 2.68Å
583N87.7Confident82.8Confident36 Ų3639.6 Ų39.619%0.19320%0.196CC..Hα-helixtrans-69.9-33.1177.3-169.6-110.6000112C499 N579 I580 I581 Q586 L587C499-N583 HydrophobicContact CB-CB 4.28Å; C499-N583 VanDerWaalsContact CB-OD1 3.31Å; C499-N583 WeakPolarHBondContact CB-OD1 3.42Å; N579-N583 WeakPolarHBondContact O-CB 3.46Å; N579-N583 PolarHBondContact O-N 2.88Å; I580-N583 PolarHBondContact O-N 3.12Å; I581-N583 PolarHBondContact O-N 3.29Å; N583-Q586 PolarHBondContact ND2-OE1 3.07Å; N583-Q586 WeakPolarHBondContact O-CB 3.21Å; N583-Q586 PolarHBondContact O-N 2.78Å; N583-L587 WeakPolarHBondContact O-CB 3.35Å; N583-L587 VanDerWaalsContact O-CG 3.29Å; N583-L587 WeakPolarHBondContact O-CG 3.34Å; N583-L587 PolarHBondContact O-N 3.36Å; N583-L587 WeakPolarHBondContact OD1-CD1 3.39Å
584F87.9Confident82.6Confident0 Ų041.8 Ų41.80%021%0.209CC..Hα-helixtrans-65.3-40.5174.7-92.2-119.7000112.7W498 V502 W544 I547 T551 I580 I581 Q582 Q586 L587 L588 L605W498-F584 AromaticContact NE1-CE2 3.93Å; W498-F584 AromaticContact NE1-CZ 3.93Å; V502-F584 HydrophobicContact CG1-CE2 3.96Å; V502-F584 HydrophobicContact CG1-CZ 3.9Å; V502-F584 HydrophobicContact CG2-CE2 4.34Å; V502-F584 HydrophobicContact CG2-CZ 4.17Å; W544-F584 HydrophobicContact CZ3-CD1 4.48Å; I547-F584 HydrophobicContact CG2-CE1 3.5Å; I547-F584 VanDerWaalsContact CG2-CE1 3.5Å; I547-F584 HydrophobicContact CG2-CZ 3.39Å; T551-F584 HydrophobicContact CG2-CD1 4.26Å; T551-F584 HydrophobicContact CG2-CD2 4.43Å; T551-F584 HydrophobicContact CG2-CE1 3.74Å; T551-F584 HydrophobicContact CG2-CE2 3.96Å; T551-F584 HydrophobicContact CG2-CZ 3.6Å; T551-F584 WeakPolarHBondContact OG1-CE1 3.48Å; T551-F584 WeakPolarHBondContact OG1-CZ 3.46Å; I580-F584 HydrophobicContact CG2-CD2 4.03Å; I580-F584 HydrophobicContact CG2-CE2 4.09Å; I580-F584 VanDerWaalsContact O-CD2 3.26Å; I580-F584 WeakPolarHBondContact O-CD2 3.43Å; I580-F584 PolarHBondContact O-N 3.37Å; I581-F584 PolarHBondContact O-N 2.86Å; Q582-F584 VanDerWaalsContact C-N 3.34Å; F584-Q586 VanDerWaalsContact C-N 3.35Å; F584-L587 PolarHBondContact O-N 3.1Å; F584-L588 WeakPolarHBondContact O-CB 3.13Å; F584-L588 VanDerWaalsContact O-CG 3.28Å; F584-L588 WeakPolarHBondContact O-CG 3.21Å; F584-L588 PolarHBondContact O-N 2.86Å; F584-L605 HydrophobicContact CB-CD2 4.15Å; F584-L605 HydrophobicContact CD1-CD2 4.38Å
585I85.5Confident82.2Confident4 Ų445.6 Ų45.62%0.02123%0.229CC..Hα-helixtrans-57.4-49.4171.2-70.4163.7000110I581 Q582 L587 L588 E589 Q660 R663 L664 M667I581-I585 HydrophobicContact CG2-CD1 4.12Å; I581-I585 WeakPolarHBondContact O-CG1 3.06Å; I581-I585 PolarHBondContact O-N 2.97Å; Q582-I585 PolarHBondContact O-N 2.66Å; I585-L587 PolarHBondContact O-N 3.49Å; I585-L588 PolarHBondContact O-N 3.45Å; I585-E589 WeakPolarHBondContact O-CG 3.24Å; I585-E589 PolarHBondContact O-N 3.2Å; I585-Q660 HydrophobicContact CD1-CB 4.18Å; I585-Q660 HydrophobicContact CD1-CG 4.49Å; I585-R663 HydrophobicContact CD1-CB 4.29Å; I585-L664 HydrophobicContact CD1-CD2 4.25Å; I585-L664 HydrophobicContact CD1-CG 4.14Å; I585-L664 HydrophobicContact CG1-CD2 3.75Å; I585-L664 HydrophobicContact CG1-CG 4.2Å; I585-M667 HydrophobicContact CG2-SD 3.9Å
586Q86.5Confident81.6Confident95 Ų9549.7 Ų49.744%0.44424%0.24SC..Hα-helixtrans-60.8-40.3177.9-68.3171.7-33.500113Q582 N583 F584 E589 E590Q582-Q586 WeakPolarHBondContact O-CG 3.49Å; Q582-Q586 PolarHBondContact O-N 2.68Å; N583-Q586 PolarHBondContact ND2-OE1 3.07Å; N583-Q586 WeakPolarHBondContact O-CB 3.21Å; N583-Q586 PolarHBondContact O-N 2.78Å; F584-Q586 VanDerWaalsContact C-N 3.35Å; Q586-E589 WeakPolarHBondContact O-CB 3.39Å; Q586-E589 PolarHBondContact O-N 3.47Å; Q586-E590 WeakPolarHBondContact O-CB 3.44Å; Q586-E590 PolarHBondContact O-N 3.28Å
587L85Confident81Confident1 Ų151.7 Ų51.71%0.00525%0.249CC..Hα-helixtrans-69.3-33.5176.8-70.9167.6000112.3V502 N503 L506 W544 N583 F584 I585 E589 E590 F591V502-L587 HydrophobicContact CG1-CD1 3.86Å; N503-L587 HydrophobicContact CB-CD2 4.28Å; L506-L587 HydrophobicContact CD1-CB 4.28Å; L506-L587 HydrophobicContact CD1-CD1 4.03Å; L506-L587 HydrophobicContact CD1-CD2 4.09Å; L506-L587 HydrophobicContact CD1-CG 4.38Å; W544-L587 HydrophobicContact CH2-CB 3.65Å; W544-L587 HydrophobicContact CZ2-CB 4.1Å; N583-L587 WeakPolarHBondContact O-CB 3.35Å; N583-L587 VanDerWaalsContact O-CG 3.29Å; N583-L587 WeakPolarHBondContact O-CG 3.34Å; N583-L587 PolarHBondContact O-N 3.36Å; N583-L587 WeakPolarHBondContact OD1-CD1 3.39Å; F584-L587 PolarHBondContact O-N 3.1Å; I585-L587 PolarHBondContact O-N 3.49Å; L587-E589 VanDerWaalsContact C-N 3.27Å; L587-E589 PolarHBondContact O-N 3.11Å; L587-E590 PolarHBondContact O-N 3.12Å; L587-F591 HydrophobicContact CD2-CD2 4.17Å; L587-F591 HydrophobicContact CD2-CE2 3.79Å; L587-F591 WeakPolarHBondContact O-CB 3.43Å; L587-F591 WeakPolarHBondContact O-CD2 3.44Å; L587-F591 PolarHBondContact O-N 3.41Å
588L82.9Confident80.6Confident3 Ų353.8 Ų53.82%0.01626%0.258CS..Hα-helixtrans-73.6-17.9173.6-71.5167.1000113W544 F584 I585 L593 I602 L605 M667W544-L588 HydrophobicContact CE3-CD2 4.14Å; W544-L588 HydrophobicContact CH2-CD2 3.63Å; W544-L588 HydrophobicContact CH2-CG 3.71Å; W544-L588 HydrophobicContact CZ2-CD2 4.04Å; W544-L588 HydrophobicContact CZ2-CG 4.43Å; W544-L588 HydrophobicContact CZ3-CD2 3.69Å; W544-L588 HydrophobicContact CZ3-CG 3.97Å; F584-L588 WeakPolarHBondContact O-CB 3.13Å; F584-L588 VanDerWaalsContact O-CG 3.28Å; F584-L588 WeakPolarHBondContact O-CG 3.21Å; F584-L588 PolarHBondContact O-N 2.86Å; I585-L588 PolarHBondContact O-N 3.45Å; L588-L593 HydrophobicContact CD2-CD1 4.01Å; L588-I602 HydrophobicContact CD1-CG1 4.18Å; L588-L605 HydrophobicContact CD1-CD2 4.06Å; L588-M667 HydrophobicContact CB-CE 3.86Å
589E81.7Confident80.2Confident104 Ų10453.9 Ų53.949%0.48626%0.259SS..Hα-helixtrans-83.5-41.8168.3-67.9166173.400111.3I585 Q586 L587 M667I585-E589 WeakPolarHBondContact O-CG 3.24Å; I585-E589 PolarHBondContact O-N 3.2Å; Q586-E589 WeakPolarHBondContact O-CB 3.39Å; Q586-E589 PolarHBondContact O-N 3.47Å; L587-E589 VanDerWaalsContact C-N 3.27Å; L587-E589 PolarHBondContact O-N 3.11Å; E589-M667 HydrophobicContact CG-CE 3.89Å
590E82.7Confident79.6Confident108 Ų10855.7 Ų55.751%0.50527%0.268SS..Hα-helixtrans-68.2-45.9179-174-176.2173.900112.8Q586 L587 K592Q586-E590 WeakPolarHBondContact O-CB 3.44Å; Q586-E590 PolarHBondContact O-N 3.28Å; L587-E590 PolarHBondContact O-N 3.12Å; E590-K592 PolarHBondContact O-N 3.12Å
591F76.2Confident79.2Confident12 Ų1256 Ų565%0.05327%0.27CS..SBendtrans-97.992.2-176.1-68.1-91.2000111.1L506 K507 K510 I540 W544 L587 L593L506-F591 HydrophobicContact CB-CD2 4.45Å; L506-F591 HydrophobicContact CB-CE1 3.99Å; L506-F591 HydrophobicContact CB-CE2 3.91Å; L506-F591 HydrophobicContact CB-CZ 3.65Å; L506-F591 HydrophobicContact CD1-CD2 4.28Å; L506-F591 HydrophobicContact CD1-CE2 4.23Å; K507-F591 HydrophobicContact CG-CZ 4.05Å; K510-F591 HydrophobicContact CB-CE1 4.22Å; K510-F591 HydrophobicContact CD-CD1 4.44Å; K510-F591 HydrophobicContact CD-CE1 4.05Å; I540-F591 HydrophobicContact CD1-CD1 3.61Å; I540-F591 HydrophobicContact CD1-CE1 4.15Å; W544-F591 HydrophobicContact CZ2-CB 4.07Å; W544-F591 HydrophobicContact CZ2-CD2 4.39Å; W544-F591 HydrophobicContact CZ2-CG 4.47Å; L587-F591 HydrophobicContact CD2-CD2 4.17Å; L587-F591 HydrophobicContact CD2-CE2 3.79Å; L587-F591 WeakPolarHBondContact O-CB 3.43Å; L587-F591 WeakPolarHBondContact O-CD2 3.44Å; L587-F591 PolarHBondContact O-N 3.41Å; F591-L593 PolarHBondContact O-N 2.97Å
592K71.9Confident79.1Confident202 Ų20256 Ų5688%0.87827%0.27SS*.  trans-58.988.3176.1-64.7-175.9178.5-178.40112.6E590E590-K592 PolarHBondContact O-N 3.12Å
593L71.8Confident78.8Confident16 Ų1652.8 Ų52.88%0.08426%0.256CS..  trans-75.4153.1173.2-81.2163.1000112.3W544 L588 F591 D595 K598 L601W544-L593 HydrophobicContact CD2-CD1 4.09Å; W544-L593 HydrophobicContact CG-CD1 3.95Å; W544-L593 HydrophobicContact CG-CD2 4.35Å; L588-L593 HydrophobicContact CD2-CD1 4.01Å; F591-L593 PolarHBondContact O-N 2.97Å; L593-D595 PolarHBondContact O-N 3.39Å; L593-K598 HydrophobicContact CB-CB 4.03Å; L593-K598 HydrophobicContact CB-CG 4.48Å; L593-L601 HydrophobicContact CD1-CD1 3.65Å
594P71.8Confident78.5Confident70 Ų7053.4 Ų53.446%0.45526%0.264SS..  trans-60.8133.2170.1-2033.2000111.1K596 E597 K598P594-K596 VanDerWaalsContact C-N 3.34Å; P594-K596 PolarHBondContact O-N 3.36Å; P594-E597 WeakPolarHBondContact CG-OE2 3.41Å; P594-E597 PolarHBondContact O-N 3.47Å; P594-K598 PolarHBondContact O-N 3Å
595D68.1Low78.4Confident104 Ų10453.5 Ų53.556%0.55626%0.264SS*.Hα-helixtrans-52.7-48.3-168.7-68.3-49.6000113.2L593 E597 K598 I599L593-D595 PolarHBondContact O-N 3.39Å; D595-E597 PolarHBondContact O-N 3.14Å; D595-K598 WeakPolarHBondContact O-CB 3.5Å; D595-K598 PolarHBondContact O-N 2.71Å; D595-K598 VanDerWaalsContact O-N 3.14Å; D595-I599 WeakPolarHBondContact O-CG1 3.26Å; D595-I599 PolarHBondContact O-N 3Å; D595-I599 VanDerWaalsContact O-N 3.12Å
596K68.6Low78.5Confident134 Ų13453.4 Ų53.458%0.58326%0.264SS*.Hα-helixtrans-55.5-36-179.6-178.3172.1179.2172.20113.3P594P594-K596 VanDerWaalsContact C-N 3.34Å; P594-K596 PolarHBondContact O-N 3.36Å
597E70.2Confident78.5Confident55 Ų5549.8 Ų49.826%0.25725%0.248SC..Hα-helixtrans-85.8-32.1-178.1-66.5172.1173.400111.6L541 P594 D595 I599 L601L541-E597 HydrophobicContact CD1-CB 3.63Å; L541-E597 HydrophobicContact CD1-CG 3.96Å; L541-E597 WeakPolarHBondContact CD1-OE2 3.12Å; L541-E597 HydrophobicContact CD2-CG 4.11Å; L541-E597 WeakPolarHBondContact CD2-OE1 3.26Å; L541-E597 WeakPolarHBondContact CD2-OE2 3.39Å; P594-E597 WeakPolarHBondContact CG-OE2 3.41Å; P594-E597 PolarHBondContact O-N 3.47Å; D595-E597 PolarHBondContact O-N 3.14Å; E597-I599 VanDerWaalsContact C-N 3.27Å; E597-I599 PolarHBondContact O-N 2.94Å; E597-L601 WeakPolarHBondContact O-CD1 3.49Å; E597-L601 WeakPolarHBondContact O-CG 3.13Å
598K75.4Confident78.4Confident48 Ų4852 Ų5221%0.20926%0.258CS..Hα-helixtrans-61.1-33.3173.2-175.9177.1174.4179.60112.2L593 P594 D595 L601 I602L593-K598 HydrophobicContact CB-CB 4.03Å; L593-K598 HydrophobicContact CB-CG 4.48Å; P594-K598 PolarHBondContact O-N 3Å; D595-K598 WeakPolarHBondContact O-CB 3.5Å; D595-K598 PolarHBondContact O-N 2.71Å; D595-K598 VanDerWaalsContact O-N 3.14Å; K598-L601 PolarHBondContact O-N 3.07Å; K598-I602 HydrophobicContact CD-CD1 4.24Å; K598-I602 HydrophobicContact CG-CD1 3.6Å; K598-I602 HydrophobicContact CG-CG1 4.25Å; K598-I602 WeakPolarHBondContact O-CG1 3.43Å; K598-I602 PolarHBondContact O-N 2.85Å
599I76.7Confident78.5Confident1 Ų152 Ų521%0.00526%0.258CS..Hα-helixtrans-61.2-50.5179.1-33-167.9000112.3D595 E597 L601 I602 S603 E668 P669 R670 I682 T686D595-I599 WeakPolarHBondContact O-CG1 3.26Å; D595-I599 PolarHBondContact O-N 3Å; D595-I599 VanDerWaalsContact O-N 3.12Å; E597-I599 VanDerWaalsContact C-N 3.27Å; E597-I599 PolarHBondContact O-N 2.94Å; I599-L601 VanDerWaalsContact C-N 3.26Å; I599-L601 PolarHBondContact O-N 3Å; I599-I602 PolarHBondContact O-N 2.92Å; I599-S603 WeakPolarHBondContact O-CB 2.98Å; I599-S603 PolarHBondContact O-N 3.25Å; I599-S603 PolarHBondContact O-OG 2.89Å; I599-E668 WeakPolarHBondContact CG2-OE1 3.4Å; I599-P669 HydrophobicContact CB-CG 4.35Å; I599-P669 HydrophobicContact CD1-CG 3.98Å; I599-P669 HydrophobicContact CG1-CG 3.75Å; I599-P669 HydrophobicContact CG2-CG 4.09Å; I599-R670 HydrophobicContact CG2-CG 3.91Å; I599-R670 VanDerWaalsContact CG2-CZ 3.41Å; I599-R670 VanDerWaalsContact CG2-NE 3.29Å; I599-I682 HydrophobicContact CD1-CB 4.49Å; I599-I682 HydrophobicContact CD1-CD1 4.16Å; I599-I682 HydrophobicContact CD1-CG1 4.32Å; I599-I682 HydrophobicContact CD1-CG2 3.43Å; I599-I682 VanDerWaalsContact CD1-CG2 3.43Å; I599-T686 HydrophobicContact CD1-CG2 4.24Å
600D77.1Confident78.7Confident94 Ų9447.1 Ų47.150%0.50324%0.235SC..Hα-helixtrans-68-30.9-175.9-65-24.6000111.5S603 S604D600-S603 PolarHBondContact O-OG 3.35Å; D600-S604 WeakPolarHBondContact O-CB 3.38Å; D600-S604 PolarHBondContact O-N 2.89Å
601L79.1Confident78.8Confident8 Ų844.5 Ų44.54%0.04222%0.223CC..Hα-helixtrans-70.8-48.3174.9-66.5166.4000112.2L541 W544 Q545 V548 L593 E597 K598 I599 L605L541-L601 HydrophobicContact CD1-CD1 4.44Å; W544-L601 HydrophobicContact CB-CD1 3.93Å; W544-L601 HydrophobicContact CB-CD2 4.35Å; W544-L601 HydrophobicContact CG-CD1 4.48Å; Q545-L601 HydrophobicContact CB-CD2 4.47Å; Q545-L601 HydrophobicContact CG-CD2 3.96Å; V548-L601 HydrophobicContact CB-CD2 4.03Å; V548-L601 HydrophobicContact CG2-CB 4.4Å; V548-L601 HydrophobicContact CG2-CD2 3.78Å; L593-L601 HydrophobicContact CD1-CD1 3.65Å; E597-L601 WeakPolarHBondContact O-CD1 3.49Å; E597-L601 WeakPolarHBondContact O-CG 3.13Å; K598-L601 PolarHBondContact O-N 3.07Å; I599-L601 VanDerWaalsContact C-N 3.26Å; I599-L601 PolarHBondContact O-N 3Å; L601-L605 PolarHBondContact O-N 3.38Å; L601-L605 VanDerWaalsContact O-N 3.17Å
602I84.3Confident79Confident0 Ų044.1 Ų44.10%022%0.222CC..Hα-helixtrans-67.7-46.5-179.1-69175.1000110.8L588 K598 I599 S604 L605 C606 M667 E668L588-I602 HydrophobicContact CD1-CG1 4.18Å; K598-I602 HydrophobicContact CD-CD1 4.24Å; K598-I602 HydrophobicContact CG-CD1 3.6Å; K598-I602 HydrophobicContact CG-CG1 4.25Å; K598-I602 WeakPolarHBondContact O-CG1 3.43Å; K598-I602 PolarHBondContact O-N 2.85Å; I599-I602 PolarHBondContact O-N 2.92Å; I602-S604 PolarHBondContact O-N 3.47Å; I602-L605 CarbonylContact O-C 3.59Å; I602-L605 PolarHBondContact O-N 3.05Å; I602-C606 VanDerWaalsContact O-CB 3.3Å; I602-C606 WeakPolarHBondContact O-CB 3.28Å; I602-C606 PolarHBondContact O-N 2.98Å; I602-M667 HydrophobicContact CD1-CB 4.01Å; I602-E668 HydrophobicContact CG2-CB 3.9Å
603S83.8Confident79.4Confident13 Ų1334.5 Ų34.59%0.09118%0.18CC..Hα-helixtrans-61.3-39.9178.852.60000113.3I599 D600 C606 V607 E668 R670I599-S603 WeakPolarHBondContact O-CB 2.98Å; I599-S603 PolarHBondContact O-N 3.25Å; I599-S603 PolarHBondContact O-OG 2.89Å; D600-S603 PolarHBondContact O-OG 3.35Å; S603-C606 PolarHBondContact O-N 2.89Å; S603-V607 WeakPolarHBondContact O-CG2 3.35Å; S603-V607 PolarHBondContact O-N 2.74Å; S603-E668 PolarHBondContact N-OE2 2.9Å; S603-R670 PolarHBondContact OG-NH2 3.46Å
604S82.1Confident79.7Confident50 Ų5034 Ų3435%0.3518%0.178SC..Hα-helixtrans-59.6-47.8172.4-174.40000112D600 I602 C606 K608D600-S604 WeakPolarHBondContact O-CB 3.38Å; D600-S604 PolarHBondContact O-N 2.89Å; I602-S604 PolarHBondContact O-N 3.47Å; S604-C606 VanDerWaalsContact C-N 3.35Å; S604-C606 PolarHBondContact O-N 3.26Å; S604-K608 WeakPolarHBondContact O-CB 3.25Å; S604-K608 WeakPolarHBondContact O-CG 3.33Å; S604-K608 PolarHBondContact O-N 3.07Å; S604-K608 VanDerWaalsContact O-N 3.09Å
605L84.8Confident79.9Confident2 Ų233 Ų331%0.0117%0.167CC..Hα-helixtrans-65.1-36.5177.3-178.260.5000112.3F584 L588 L601 I602 S609 L664F584-L605 HydrophobicContact CB-CD2 4.15Å; F584-L605 HydrophobicContact CD1-CD2 4.38Å; L588-L605 HydrophobicContact CD1-CD2 4.06Å; L601-L605 PolarHBondContact O-N 3.38Å; L601-L605 VanDerWaalsContact O-N 3.17Å; I602-L605 CarbonylContact O-C 3.59Å; I602-L605 PolarHBondContact O-N 3.05Å; L605-S609 VanDerWaalsContact O-CB 3.24Å; L605-S609 WeakPolarHBondContact O-CB 3.19Å; L605-S609 PolarHBondContact O-N 2.7Å; L605-S609 PolarHBondContact O-OG 3.06Å; L605-L664 HydrophobicContact CD2-CD1 4.5Å; L605-L664 HydrophobicContact CD2-CD2 3.79Å; L605-L664 HydrophobicContact CG-CD1 4.1Å; L605-L664 HydrophobicContact CG-CD2 4.17Å
606C87.2Confident80.2Confident1 Ų128.6 Ų28.61%0.00714%0.142CC..Hα-helixtrans-67.6-46.8178.9-171.50000111.8I602 S603 S604 S609 A610 L664I602-C606 VanDerWaalsContact O-CB 3.3Å; I602-C606 WeakPolarHBondContact O-CB 3.28Å; I602-C606 PolarHBondContact O-N 2.98Å; S603-C606 PolarHBondContact O-N 2.89Å; S604-C606 VanDerWaalsContact C-N 3.35Å; S604-C606 PolarHBondContact O-N 3.26Å; C606-S609 PolarHBondContact O-N 2.89Å; C606-A610 PolarHBondContact O-N 2.95Å; C606-L664 HydrophobicContact CB-CB 4.25Å
607V86.2Confident80.4Confident19 Ų1922.5 Ų22.512%0.11512%0.116CC..Hα-helixtrans-63.9-42.2176.5174.10000110.7S603 S609 A610 E611 L694 L697 I698S603-V607 WeakPolarHBondContact O-CG2 3.35Å; S603-V607 PolarHBondContact O-N 2.74Å; V607-S609 PolarHBondContact O-N 3Å; V607-A610 WeakPolarHBondContact O-CA 3.47Å; V607-A610 VanDerWaalsContact O-CB 3.29Å; V607-A610 WeakPolarHBondContact O-CB 3.39Å; V607-A610 PolarHBondContact O-N 2.73Å; V607-A610 VanDerWaalsContact O-N 3.13Å; V607-E611 PolarHBondContact O-N 3.39Å; V607-L694 HydrophobicContact CG2-CD1 3.98Å; V607-L697 HydrophobicContact CG1-CB 4.24Å; V607-L697 HydrophobicContact CG2-CB 3.73Å; V607-I698 HydrophobicContact CG2-CG1 4.05Å
608K83.4Confident80.2Confident49 Ų4924 Ų2421%0.21312%0.121CC..Hα-helixtrans-70.8-31.4178.4-69.5-77.6162.3-166.40113.3C552 S604 A610 E611 L612C552-K608 HydrophobicContact CB-CB 4.09Å; C552-K608 HydrophobicContact CB-CD 4.25Å; C552-K608 HydrophobicContact CB-CG 3.8Å; S604-K608 WeakPolarHBondContact O-CB 3.25Å; S604-K608 WeakPolarHBondContact O-CG 3.33Å; S604-K608 PolarHBondContact O-N 3.07Å; S604-K608 VanDerWaalsContact O-N 3.09Å; K608-A610 VanDerWaalsContact C-N 3.32Å; K608-E611 WeakPolarHBondContact CE-OE1 3.49Å; K608-E611 IonicContact NZ-OE1 2.68Å; K608-E611 PolarHBondContact NZ-OE1 3.43Å; K608-E611 IonicContact NZ-OE2 3.88Å; K608-E611 PolarHBondContact NZ-OE2 2.78Å; K608-E611 PolarHBondContact O-N 2.97Å; K608-L612 PolarHBondContact O-N 3Å; K608-L612 VanDerWaalsContact O-N 3.09Å
609S85.8Confident79.4Confident3 Ų324.5 Ų24.52%0.02113%0.125CC..Hα-helixtrans-69.6-29169.5-58.60000112.5L605 C606 V607 G613 W657L605-S609 VanDerWaalsContact O-CB 3.24Å; L605-S609 WeakPolarHBondContact O-CB 3.19Å; L605-S609 PolarHBondContact O-N 2.7Å; L605-S609 PolarHBondContact O-OG 3.06Å; C606-S609 PolarHBondContact O-N 2.89Å; V607-S609 PolarHBondContact O-N 3Å; S609-G613 PolarHBondContact O-N 3.26Å; S609-W657 PolarHBondContact O-NE1 3.08Å
610A85.7Confident78.2Confident0 Ų027.1 Ų27.10%014%0.139CC..Hα-helixtrans-69.1-48.9171.200000111.3C606 V607 K608 L612 G613 G614 I661 I698 G701 I702C606-A610 PolarHBondContact O-N 2.95Å; V607-A610 WeakPolarHBondContact O-CA 3.47Å; V607-A610 VanDerWaalsContact O-CB 3.29Å; V607-A610 WeakPolarHBondContact O-CB 3.39Å; V607-A610 PolarHBondContact O-N 2.73Å; V607-A610 VanDerWaalsContact O-N 3.13Å; K608-A610 VanDerWaalsContact C-N 3.32Å; A610-L612 VanDerWaalsContact C-N 3.33Å; A610-L612 PolarHBondContact O-N 2.79Å; A610-G613 PolarHBondContact O-N 3.35Å; A610-G613 VanDerWaalsContact O-N 3.11Å; A610-G614 PolarHBondContact O-N 2.73Å; A610-I661 HydrophobicContact CB-CD1 3.83Å; A610-I698 HydrophobicContact CB-CG2 4.23Å; A610-G701 CarbonylContact C-O 3.34Å; A610-G701 CarbonylContact O-C 3.56Å; A610-G701 VanDerWaalsContact O-O 3.09Å; A610-I702 HydrophobicContact CB-CG1 4.15Å
611E84.2Confident76.4Confident53 Ų5326.5 Ų26.525%0.24814%0.141CC..Hα-helixtrans-54.9-44.4175.8-72.7176.5-14100112.6V607 K608 G613 G614 F615 G701V607-E611 PolarHBondContact O-N 3.39Å; K608-E611 WeakPolarHBondContact CE-OE1 3.49Å; K608-E611 IonicContact NZ-OE1 2.68Å; K608-E611 PolarHBondContact NZ-OE1 3.43Å; K608-E611 IonicContact NZ-OE2 3.88Å; K608-E611 PolarHBondContact NZ-OE2 2.78Å; K608-E611 PolarHBondContact O-N 2.97Å; E611-G613 VanDerWaalsContact C-N 3.33Å; E611-G613 PolarHBondContact O-N 3.29Å; E611-G614 PolarHBondContact O-N 3.13Å; E611-F615 WeakPolarHBondContact O-CB 3.18Å; E611-F615 PolarHBondContact O-N 2.68Å; E611-G701 WeakPolarHBondContact CA-O 3.25Å
612L81.6Confident74.5Confident5 Ų531.5 Ų31.53%0.02617%0.166CC..Hα-helixtrans-56.8-46.8175.1-178.270.2000111.8I555 I581 K608 A610 F615 W616I555-L612 HydrophobicContact CG2-CB 4.15Å; I555-L612 HydrophobicContact CG2-CD1 3.76Å; I555-L612 HydrophobicContact CG2-CD2 3.54Å; I555-L612 HydrophobicContact CG2-CG 4.01Å; I581-L612 HydrophobicContact CD1-CD2 3.9Å; K608-L612 PolarHBondContact O-N 3Å; K608-L612 VanDerWaalsContact O-N 3.09Å; A610-L612 VanDerWaalsContact C-N 3.33Å; A610-L612 PolarHBondContact O-N 2.79Å; L612-F615 PolarHBondContact O-N 2.69Å; L612-W616 HydrophobicContact CD1-CD2 4.45Å; L612-W616 HydrophobicContact CD1-CH2 4.32Å; L612-W616 HydrophobicContact CD1-CZ2 3.56Å; L612-W616 HydrophobicContact CD2-CH2 3.44Å; L612-W616 VanDerWaalsContact CD2-CH2 3.44Å; L612-W616 HydrophobicContact CD2-CZ2 3.57Å; L612-W616 HydrophobicContact CD2-CZ3 4.05Å; L612-W616 HydrophobicContact CG-CD2 4.17Å; L612-W616 HydrophobicContact CG-CE3 4.4Å; L612-W616 HydrophobicContact CG-CH2 3.84Å; L612-W616 HydrophobicContact CG-CZ2 3.57Å; L612-W616 HydrophobicContact CG-CZ3 4.25Å; L612-W616 PolarHBondContact O-N 3.09Å
613G79.7Confident72.5Confident0 Ų035.2 Ų35.20%018%0.18CC..Hα-helixtrans-62.8-47.4176.800000112.4S609 A610 E611 F615 W616 I617S609-G613 PolarHBondContact O-N 3.26Å; A610-G613 PolarHBondContact O-N 3.35Å; A610-G613 VanDerWaalsContact O-N 3.11Å; E611-G613 VanDerWaalsContact C-N 3.33Å; E611-G613 PolarHBondContact O-N 3.29Å; G613-F615 PolarHBondContact O-N 3.44Å; G613-W616 PolarHBondContact O-N 2.88Å; G613-I617 VanDerWaalsContact O-CB 3.27Å; G613-I617 WeakPolarHBondContact O-CB 3.36Å; G613-I617 WeakPolarHBondContact O-CD1 3.29Å; G613-I617 WeakPolarHBondContact O-CG1 3.43Å; G613-I617 PolarHBondContact O-N 3.23Å
614G77.9Confident70.2Confident4 Ų441.9 Ų41.94%0.04121%0.207CC..Hα-helixtrans-59.3-34.6176.800000113.2A610 E611 K618 I702A610-G614 PolarHBondContact O-N 2.73Å; E611-G614 PolarHBondContact O-N 3.13Å; G614-K618 WeakPolarHBondContact O-CB 3.34Å; G614-K618 PolarHBondContact O-N 3.13Å; G614-I702 VanDerWaalsContact CA-O 3.22Å; G614-I702 WeakPolarHBondContact CA-O 3.24Å
615F76.1Confident67.8Low51 Ų5144.9 Ų44.922%0.22422%0.224CC..Hα-helixtrans-69.2-50.4173.8177-100.2000113P557 M568 E611 L612 G613 I617 K618 E619P557-F615 HydrophobicContact CB-CD1 4.21Å; P557-F615 HydrophobicContact CB-CD2 4.15Å; P557-F615 HydrophobicContact CB-CE1 3.94Å; P557-F615 HydrophobicContact CB-CE2 3.89Å; P557-F615 HydrophobicContact CB-CG 4.31Å; P557-F615 HydrophobicContact CB-CZ 3.78Å; P557-F615 HydrophobicContact CG-CB 4.2Å; P557-F615 HydrophobicContact CG-CD1 3.37Å; P557-F615 HydrophobicContact CG-CD2 3.88Å; P557-F615 HydrophobicContact CG-CE1 3.55Å; P557-F615 HydrophobicContact CG-CE2 4.04Å; P557-F615 HydrophobicContact CG-CG 3.54Å; P557-F615 HydrophobicContact CG-CZ 3.89Å; M568-F615 HydrophobicContact CE-CE1 3.62Å; M568-F615 HydrophobicContact CE-CZ 4.03Å; M568-F615 HydrophobicContact CG-CZ 4.44Å; M568-F615 HydrophobicContact SD-CE1 3.53Å; M568-F615 VanDerWaalsContact SD-CE1 3.53Å; M568-F615 HydrophobicContact SD-CZ 3.54Å; M568-F615 VanDerWaalsContact SD-CZ 3.54Å; E611-F615 WeakPolarHBondContact O-CB 3.18Å; E611-F615 PolarHBondContact O-N 2.68Å; L612-F615 PolarHBondContact O-N 2.69Å; G613-F615 PolarHBondContact O-N 3.44Å; F615-I617 PolarHBondContact O-N 3.12Å; F615-K618 WeakPolarHBondContact O-CA 3.32Å; F615-K618 VanDerWaalsContact O-CB 3.31Å; F615-K618 WeakPolarHBondContact O-CB 3.24Å; F615-K618 PolarHBondContact O-N 3Å; F615-E619 PolarHBondContact O-N 2.95Å
616W74.7Confident65.3Low11 Ų1150.3 Ų50.34%0.04225%0.247CC..Hα-helixtrans-60.9-35.7174.8-65.8-19.1000112.4P574 L578 L612 G613 K618 I649 F654 W657P574-W616 HydrophobicContact CB-CH2 4Å; P574-W616 HydrophobicContact CB-CZ2 3.79Å; P574-W616 HydrophobicContact CG-CZ2 4.46Å; L578-W616 HydrophobicContact CD1-CH2 4.27Å; L578-W616 HydrophobicContact CD1-CZ3 4.17Å; L578-W616 HydrophobicContact CD2-CH2 4.18Å; L578-W616 HydrophobicContact CD2-CZ3 4.09Å; L578-W616 HydrophobicContact CG-CH2 3.92Å; L578-W616 HydrophobicContact CG-CZ3 4.12Å; L612-W616 HydrophobicContact CD1-CD2 4.45Å; L612-W616 HydrophobicContact CD1-CH2 4.32Å; L612-W616 HydrophobicContact CD1-CZ2 3.56Å; L612-W616 HydrophobicContact CD2-CH2 3.44Å; L612-W616 VanDerWaalsContact CD2-CH2 3.44Å; L612-W616 HydrophobicContact CD2-CZ2 3.57Å; L612-W616 HydrophobicContact CD2-CZ3 4.05Å; L612-W616 HydrophobicContact CG-CD2 4.17Å; L612-W616 HydrophobicContact CG-CE3 4.4Å; L612-W616 HydrophobicContact CG-CH2 3.84Å; L612-W616 HydrophobicContact CG-CZ2 3.57Å; L612-W616 HydrophobicContact CG-CZ3 4.25Å; L612-W616 PolarHBondContact O-N 3.09Å; G613-W616 PolarHBondContact O-N 2.88Å; W616-K618 VanDerWaalsContact C-N 3.29Å; W616-K618 PolarHBondContact O-N 2.73Å; W616-I649 HydrophobicContact CB-CD1 4Å; W616-I649 HydrophobicContact CG-CD1 4.09Å; W616-F654 HydrophobicContact CB-CE1 3.72Å; W616-F654 HydrophobicContact CB-CZ 3.84Å; W616-W657 HydrophobicContact CZ3-CB 4.29Å; W616-W657 HydrophobicContact CZ3-CG 4.49Å
617I71.7Confident62.8Low5 Ų552.3 Ų52.33%0.02626%0.261CS..Hα-helixtrans-64.1-33.5172.4-72.6165.7000111G613 F615 F654 W657 L703 R736 A741G613-I617 VanDerWaalsContact O-CB 3.27Å; G613-I617 WeakPolarHBondContact O-CB 3.36Å; G613-I617 WeakPolarHBondContact O-CD1 3.29Å; G613-I617 WeakPolarHBondContact O-CG1 3.43Å; G613-I617 PolarHBondContact O-N 3.23Å; F615-I617 PolarHBondContact O-N 3.12Å; I617-F654 HydrophobicContact CG1-CE1 4.05Å; I617-W657 HydrophobicContact CD1-CH2 4.25Å; I617-W657 HydrophobicContact CD1-CZ3 4.35Å; I617-L703 HydrophobicContact CG2-CD2 4.47Å; I617-R736 HydrophobicContact CG2-CB 4.03Å; I617-R736 HydrophobicContact CG2-CG 4.31Å; I617-R736 WeakPolarHBondContact O-CD 3.43Å; I617-A741 HydrophobicContact CD1-CB 3.9Å
618K67.2Low60.3Low87 Ų8754.7 Ų54.738%0.37828%0.283SS..Hα-helixtrans-73.5-43.8177.8-163.8160.9-178166.60112.9G614 F615 W616 N620 S621 D705G614-K618 WeakPolarHBondContact O-CB 3.34Å; G614-K618 PolarHBondContact O-N 3.13Å; F615-K618 WeakPolarHBondContact O-CA 3.32Å; F615-K618 VanDerWaalsContact O-CB 3.31Å; F615-K618 WeakPolarHBondContact O-CB 3.24Å; F615-K618 PolarHBondContact O-N 3Å; W616-K618 VanDerWaalsContact C-N 3.29Å; W616-K618 PolarHBondContact O-N 2.73Å; K618-N620 VanDerWaalsContact C-N 3.29Å; K618-N620 PolarHBondContact O-N 2.99Å; K618-S621 WeakPolarHBondContact O-CB 3.3Å; K618-S621 PolarHBondContact O-N 2.86Å; K618-D705 WeakPolarHBondContact CE-OD2 3.41Å; K618-D705 IonicContact NZ-OD1 2.69Å; K618-D705 PolarHBondContact NZ-OD1 3.25Å; K618-D705 IonicContact NZ-OD2 3.27Å; K618-D705 PolarHBondContact NZ-OD2 3.17Å
619E57.5Low58Low59 Ų5960 Ų6028%0.27631%0.308SS..Hα-helixtrans-65.1-30-176.4-171.3179.7-132.300113.4M568 F615 S621 M622M568-E619 VanDerWaalsContact CE-OE1 3.23Å; M568-E619 WeakPolarHBondContact CE-OE1 3.39Å; M568-E619 VanDerWaalsContact CE-OE2 3.3Å; M568-E619 WeakPolarHBondContact CE-OE2 3.5Å; F615-E619 PolarHBondContact O-N 2.95Å; E619-S621 PolarHBondContact O-N 3.41Å; E619-M622 PolarHBondContact O-N 3.43Å
620N51.7Low56.1Low56 Ų5662.3 Ų62.330%0.29932%0.322SS..THydrogen-bonded Turntrans-51-22175-79.5-23.7000114K618 R623 F654K618-N620 VanDerWaalsContact C-N 3.29Å; K618-N620 PolarHBondContact O-N 2.99Å; N620-R623 PolarHBondContact OD1-NE 2.88Å; N620-R623 PolarHBondContact OD1-NH2 2.94Å; N620-F654 WeakPolarHBondContact ND2-CZ 3.28Å
621S39.3Very low53.9Low80 Ų8066.1 Ų66.156%0.55934%0.342SS*.THydrogen-bonded Turntrans-67.4-33.3174.6-155.10000113.9K618 E619 R623K618-S621 WeakPolarHBondContact O-CB 3.3Å; K618-S621 PolarHBondContact O-N 2.86Å; E619-S621 PolarHBondContact O-N 3.41Å; S621-R623 VanDerWaalsContact C-N 3.33Å; S621-R623 PolarHBondContact O-N 2.99Å
622M40.5Very low52.1Low113 Ų11368.1 Ų68.156%0.55736%0.358SS*.THydrogen-bonded Turntrans-74-20.2178.5-71.7-138.2-138.500113.7E619 K624 T625 F626E619-M622 PolarHBondContact O-N 3.43Å; M622-K624 PolarHBondContact O-N 3.14Å; M622-K624 VanDerWaalsContact O-N 3.09Å; M622-T625 PolarHBondContact O-N 3.3Å; M622-T625 PolarHBondContact O-OG1 2.89Å; M622-F626 PolarHBondContact O-N 3.45Å
623R41Very low50.1Low79 Ų7976.7 Ų76.730%0.29839%0.391SS..Hα-helixtrans-55.2-34.2-176.5-67.9-173.9-179.7-161.92.8112.6N620 S621 T625 C627N620-R623 PolarHBondContact OD1-NE 2.88Å; N620-R623 PolarHBondContact OD1-NH2 2.94Å; S621-R623 VanDerWaalsContact C-N 3.33Å; S621-R623 PolarHBondContact O-N 2.99Å; R623-T625 PolarHBondContact O-N 3.36Å; R623-C627 VanDerWaalsContact O-CB 3.25Å; R623-C627 WeakPolarHBondContact O-CB 3.35Å; R623-C627 PolarHBondContact O-N 2.91Å; R623-C627 PolarHBondContact O-SG 3.1Å
624K35.7Very low48.4Very low152 Ų15283.1 Ų83.166%0.66142%0.419SS*.Hα-helixtrans-68.5-29.9-177.1-70.1-176.41781760114.6M622M622-K624 PolarHBondContact O-N 3.14Å; M622-K624 VanDerWaalsContact O-N 3.09Å
625T32.7Very low46.7Very low114 Ų11491.1 Ų91.170%0.69945%0.448SS*.Hα-helixtrans-89.4-35.4175.419.60000112.3M622 R623M622-T625 PolarHBondContact O-N 3.3Å; M622-T625 PolarHBondContact O-OG1 2.89Å; R623-T625 PolarHBondContact O-N 3.36Å
626F32.1Very low45.3Very low115 Ų11595.7 Ų95.750%0.50447%0.474SS..Hα-helixtrans-82.6-36.7-174.6-125.7-103.2000114.1L565 M622 A628 H629 V630L565-F626 HydrophobicContact CD2-CE1 4.05Å; L565-F626 HydrophobicContact CD2-CE2 4.1Å; L565-F626 HydrophobicContact CD2-CZ 3.58Å; M622-F626 PolarHBondContact O-N 3.45Å; F626-A628 VanDerWaalsContact C-N 3.32Å; F626-A628 PolarHBondContact O-N 2.96Å; F626-H629 PolarHBondContact O-N 3.19Å; F626-V630 HydrophobicContact CD1-CG2 3.52Å; F626-V630 HydrophobicContact CE1-CG2 3.74Å; F626-V630 PolarHBondContact O-N 3.19Å; F626-V630 VanDerWaalsContact O-N 3.09Å
627C35.2Very low43.9Very low43 Ų43100 Ų10029%0.29150%0.502SS..Hα-helixtrans-61.5-37.6-176.1-70.60000112.9R623 H629 L631R623-C627 VanDerWaalsContact O-CB 3.25Å; R623-C627 WeakPolarHBondContact O-CB 3.35Å; R623-C627 PolarHBondContact O-N 2.91Å; R623-C627 PolarHBondContact O-SG 3.1Å; C627-H629 VanDerWaalsContact C-N 3.31Å; C627-H629 PolarHBondContact O-N 3.08Å; C627-L631 HydrophobicContact CB-CD1 4.19Å; C627-L631 VanDerWaalsContact O-CB 3.28Å; C627-L631 WeakPolarHBondContact O-CB 3.49Å; C627-L631 PolarHBondContact O-N 3.15Å
628A33.1Very low42.2Very low69 Ų69109 Ų10957%0.5754%0.537SS*.Hα-helixtrans-63.1-34.9-179.500000113.2F626 T632F626-A628 VanDerWaalsContact C-N 3.32Å; F626-A628 PolarHBondContact O-N 2.96Å; A628-T632 WeakPolarHBondContact O-CB 3.38Å; A628-T632 PolarHBondContact O-OG1 2.7Å
629H35.3Very low40.6Very low160 Ų160111.6 Ų111.674%0.74156%0.555SS**Hα-helixtrans-86.5-41.7-178.4-132.8-117.9000112.1F626 C627 Y633F626-H629 PolarHBondContact O-N 3.19Å; C627-H629 VanDerWaalsContact C-N 3.31Å; C627-H629 PolarHBondContact O-N 3.08Å; H629-Y633 PolarHBondContact O-N 2.76Å
630V44.7Very low39.4Very low52 Ų52114 Ų11432%0.31558%0.577SS.*Hα-helixtrans-73.2-43.6-178178.80000112.3F626 T632 Y633 F634F626-V630 HydrophobicContact CD1-CG2 3.52Å; F626-V630 HydrophobicContact CE1-CG2 3.74Å; F626-V630 PolarHBondContact O-N 3.19Å; F626-V630 VanDerWaalsContact O-N 3.09Å; V630-T632 VanDerWaalsContact C-N 3.28Å; V630-T632 PolarHBondContact O-N 3.07Å; V630-Y633 PolarHBondContact O-N 3.47Å; V630-F634 HydrophobicContact CG1-CD2 3.86Å; V630-F634 HydrophobicContact CG1-CE2 4.3Å; V630-F634 PolarHBondContact O-N 3Å
631L41.2Very low38.5Very low80 Ų80121.5 Ų121.542%0.41960%0.603SS.*Hα-helixtrans-65.2-32.4178.4-74.8165000112.1C627 Y633 R635C627-L631 HydrophobicContact CB-CD1 4.19Å; C627-L631 VanDerWaalsContact O-CB 3.28Å; C627-L631 WeakPolarHBondContact O-CB 3.49Å; C627-L631 PolarHBondContact O-N 3.15Å; L631-Y633 VanDerWaalsContact C-N 3.33Å; L631-R635 WeakPolarHBondContact O-CB 3.47Å; L631-R635 PolarHBondContact O-N 3.33Å
632T45.4Very low38.2Very low96 Ų96126.5 Ų126.559%0.58962%0.617SS**Hα-helixtrans-69.2-32.3176.6-54.70000111.9A628 V630A628-T632 WeakPolarHBondContact O-CB 3.38Å; A628-T632 PolarHBondContact O-OG1 2.7Å; V630-T632 VanDerWaalsContact C-N 3.28Å; V630-T632 PolarHBondContact O-N 3.07Å
633Y40.1Very low38Very low184 Ų184128 Ų12872%0.72263%0.625SS**Hα-helixtrans-78-46.8176.1-146.5-96.9000112H629 V630 L631 R635 L636H629-Y633 PolarHBondContact O-N 2.76Å; V630-Y633 PolarHBondContact O-N 3.47Å; L631-Y633 VanDerWaalsContact C-N 3.33Å; Y633-R635 PolarHBondContact O-N 3.07Å; Y633-L636 PolarHBondContact O-N 3.37Å
634F44Very low37.7Very low135 Ų135128.1 Ų128.159%0.59264%0.638SS**Hα-helixtrans-65.6-34.9179.1-99.7-93000113.4V630 L636 V637V630-F634 HydrophobicContact CG1-CD2 3.86Å; V630-F634 HydrophobicContact CG1-CE2 4.3Å; V630-F634 PolarHBondContact O-N 3Å; F634-L636 PolarHBondContact O-N 3.32Å; F634-L636 VanDerWaalsContact O-N 3.11Å; F634-V637 PolarHBondContact O-N 2.78Å; F634-V637 VanDerWaalsContact O-N 3.08Å
635R41.5Very low37.8Very low172 Ų172126.3 Ų126.365%0.64964%0.636SS**THydrogen-bonded Turntrans-70.2-5.4-179.5-158.5173.4-167.5-164.61.7113.8L631 Y633L631-R635 WeakPolarHBondContact O-CB 3.47Å; L631-R635 PolarHBondContact O-N 3.33Å; Y633-R635 PolarHBondContact O-N 3.07Å
636L46.5Very low38.3Very low147 Ų147125.3 Ų125.377%0.7763%0.633SS**THydrogen-bonded Turntrans-99-11.5171.9-76.4167.9000113.9Y633 F634Y633-L636 PolarHBondContact O-N 3.37Å; F634-L636 PolarHBondContact O-N 3.32Å; F634-L636 VanDerWaalsContact O-N 3.11Å
637V45.7Very low39Very low103 Ų103126.8 Ų126.862%0.62465%0.646SS**SBendtrans-106.487.6-178.9-174.40000109.7F634F634-V637 PolarHBondContact O-N 2.78Å; F634-V637 VanDerWaalsContact O-N 3.08Å
638Y36.9Very low39.5Very low194 Ų194130.4 Ų130.476%0.76165%0.654SS**  trans-72.8150.6-176.3-110.4-108.6000113.8
639N31.8Very low40.6Very low140 Ų140127.8 Ų127.875%0.74963%0.63SS**  trans6952.2157.1-64.8-15.8000119.7
640C33.7Very low41.9Very low111 Ų111124.5 Ų124.575%0.7561%0.614SS**  trans-123.8120147.7-97.20000110.2
641Y31.5Very low42.8Very low213 Ų213127.3 Ų127.384%0.83563%0.627SS**  trans-75.4160.5174.3-103.3-115.8000111.5
642H33.4Very low44.3Very low184 Ų184128.5 Ų128.585%0.85263%0.634SS**SBendtrans80.91158.6-104.4-68.6000122.4
643I35.8Very low45.8Very low145 Ų145124.8 Ų124.874%0.74461%0.61SS**  trans-130.372.5179.2-43.3-179.9000112.4
644S36Very low47.6Very low81 Ų81116.9 Ų116.957%0.56658%0.58SS**  trans-148.5-4.7176.3-54.60000116.1
645D38.1Very low49.4Very low115 Ų115114.9 Ų114.962%0.61557%0.572SS**SBendtrans-84.5-14-172.3-106.635.6000114.7L647 K650D645-L647 PolarHBondContact O-N 2.88Å; D645-K650 WeakPolarHBondContact OD2-CE 3.36Å; D645-K650 IonicContact OD2-NZ 2.73Å; D645-K650 PolarHBondContact OD2-NZ 3.35Å
646S42.3Very low51.5Low92 Ų92109.9 Ų109.964%0.64355%0.553SS**SBendtrans-84.2-5.8-161.460.80000116.8
647L46.1Very low53.4Low146 Ų146103 Ų10376%0.76452%0.516SS*.SBendtrans-121.8-7-178.8-151.974.8000113.8D645 I649D645-L647 PolarHBondContact O-N 2.88Å; L647-I649 PolarHBondContact O-N 3.33Å
648Y46.8Very low55.3Low120 Ų12098 Ų9847%0.47149%0.487SS..  trans-91.3102.1176-76.8-83000109.8K650Y648-K650 PolarHBondContact O-N 2.85Å
649I57Low57.8Low13 Ų1391.3 Ų91.37%0.06747%0.466CS..  trans-55.4114.5167.3-40.1174.7000107.3P574 W616 L647 D653 F654P574-I649 HydrophobicContact CB-CG2 4.26Å; P574-I649 HydrophobicContact CG-CG1 3.9Å; P574-I649 HydrophobicContact CG-CG2 4.48Å; W616-I649 HydrophobicContact CB-CD1 4Å; W616-I649 HydrophobicContact CG-CD1 4.09Å; L647-I649 PolarHBondContact O-N 3.33Å; I649-D653 HydrophobicContact CG2-CB 3.77Å; I649-F654 HydrophobicContact CB-CE2 4Å; I649-F654 HydrophobicContact CD1-CE2 4.09Å; I649-F654 HydrophobicContact CD1-CZ 3.94Å; I649-F654 HydrophobicContact CG2-CD2 3.78Å; I649-F654 HydrophobicContact CG2-CE2 3.52Å; I649-F654 HydrophobicContact CG2-CZ 4.16Å
650K61.5Low60.4Low92 Ų9285.2 Ų85.240%0.443%0.433SS..  trans-76.5156.7179.9-64.5-178.1179.9179.50108.8D645 Y648 D652 D653D645-K650 WeakPolarHBondContact OD2-CE 3.36Å; D645-K650 IonicContact OD2-NZ 2.73Å; D645-K650 PolarHBondContact OD2-NZ 3.35Å; Y648-K650 PolarHBondContact O-N 2.85Å; K650-D652 PolarHBondContact O-N 3.29Å; K650-D653 PolarHBondContact N-OD2 3.38Å; K650-D653 WeakPolarHBondContact O-CB 3.42Å; K650-D653 PolarHBondContact O-N 3.22Å
651L62.7Low63Low110 Ų11080 Ų8058%0.57640%0.398SS*.Hα-helixtrans-59.1-34.1178.2-159.875000110.6D653 F654 H655L651-D653 VanDerWaalsContact C-N 3.31Å; L651-D653 PolarHBondContact O-N 3.07Å; L651-F654 PolarHBondContact O-N 2.81Å; L651-H655 PolarHBondContact O-N 2.94Å
652D73.7Confident65.8Low106 Ų10671 Ų7157%0.56736%0.364SS*.Hα-helixtrans-63-31.5176.5-46.3-42.9000113.1K650 H655 R656K650-D652 PolarHBondContact O-N 3.29Å; D652-H655 PolarHBondContact O-N 3.48Å; D652-R656 WeakPolarHBondContact O-CB 3.3Å; D652-R656 VanDerWaalsContact O-CG 3.29Å; D652-R656 WeakPolarHBondContact O-CG 3.46Å; D652-R656 PolarHBondContact O-N 3.45Å
653D77.3Confident68.4Low18 Ų1868.9 Ų68.910%0.09635%0.348CS..Hα-helixtrans-68.3-41.5178.2-67.6-51.8000111.2L578 I649 K650 L651 H655 R656 W657L578-D653 HydrophobicContact CD1-CB 3.82Å; L578-D653 VanDerWaalsContact CD1-O 3.24Å; L578-D653 WeakPolarHBondContact CD1-O 3.38Å; I649-D653 HydrophobicContact CG2-CB 3.77Å; K650-D653 PolarHBondContact N-OD2 3.38Å; K650-D653 WeakPolarHBondContact O-CB 3.42Å; K650-D653 PolarHBondContact O-N 3.22Å; L651-D653 VanDerWaalsContact C-N 3.31Å; L651-D653 PolarHBondContact O-N 3.07Å; D653-H655 VanDerWaalsContact C-N 3.3Å; D653-H655 PolarHBondContact O-N 3.28Å; D653-R656 PolarHBondContact O-N 3.49Å; D653-W657 WeakPolarHBondContact O-CB 2.96Å; D653-W657 PolarHBondContact O-N 3.18Å
654F77.4Confident70.8Confident18 Ų1862 Ų628%0.07931%0.313CS..Hα-helixtrans-63.9-36.2172.4-78.7-73.5000111.8W616 I617 N620 I649 L651 W657 G658W616-F654 HydrophobicContact CB-CE1 3.72Å; W616-F654 HydrophobicContact CB-CZ 3.84Å; I617-F654 HydrophobicContact CG1-CE1 4.05Å; N620-F654 WeakPolarHBondContact ND2-CZ 3.28Å; I649-F654 HydrophobicContact CB-CE2 4Å; I649-F654 HydrophobicContact CD1-CE2 4.09Å; I649-F654 HydrophobicContact CD1-CZ 3.94Å; I649-F654 HydrophobicContact CG2-CD2 3.78Å; I649-F654 HydrophobicContact CG2-CE2 3.52Å; I649-F654 HydrophobicContact CG2-CZ 4.16Å; L651-F654 PolarHBondContact O-N 2.81Å; F654-W657 PolarHBondContact O-N 2.91Å; F654-G658 PolarHBondContact O-N 3.47Å
655H81.6Confident73.3Confident93 Ų9358.1 Ų58.143%0.43129%0.286SS..Hα-helixtrans-71.1-36176.6-166.261.1000113L651 D652 D653 T659 D740 R743L651-H655 PolarHBondContact O-N 2.94Å; D652-H655 PolarHBondContact O-N 3.48Å; D653-H655 VanDerWaalsContact C-N 3.3Å; D653-H655 PolarHBondContact O-N 3.28Å; H655-T659 WeakPolarHBondContact O-CB 3.27Å; H655-T659 PolarHBondContact O-N 3.05Å; H655-T659 VanDerWaalsContact O-N 3.17Å; H655-T659 PolarHBondContact O-OG1 3.27Å; H655-D740 IonicContact CE1-OD1 3.11Å; H655-D740 IonicContact CG-OD1 2.76Å; H655-D740 IonicContact ND1-OD1 3.12Å; H655-D740 PolarHBondContact ND1-OD1 3.49Å; H655-D740 IonicContact ND1-OD2 3.85Å; H655-R743 PolarHBondContact CE1-NH2 2.92Å; H655-R743 PolarHBondContact ND1-NH2 3.13Å; H655-R743 VanDerWaalsContact ND1-NH2 3.19Å; H655-R743 PolarHBondContact O-NH2 3.46Å
656R84.9Confident75.5Confident66 Ų6655.4 Ų55.425%0.24927%0.271CS..Hα-helixtrans-64.2-48170.3-75.4-179.672.6-143.21.1111.2L578 N579 D652 D653 G658 T659 Q660L578-R656 HydrophobicContact CD1-CB 4.05Å; N579-R656 PolarHBondContact OD1-NH1 3.26Å; N579-R656 PolarHBondContact OD1-NH2 2.89Å; D652-R656 WeakPolarHBondContact O-CB 3.3Å; D652-R656 VanDerWaalsContact O-CG 3.29Å; D652-R656 WeakPolarHBondContact O-CG 3.46Å; D652-R656 PolarHBondContact O-N 3.45Å; D653-R656 PolarHBondContact O-N 3.49Å; R656-G658 PolarHBondContact O-N 2.68Å; R656-T659 PolarHBondContact O-N 3.48Å; R656-T659 VanDerWaalsContact O-N 3.11Å; R656-Q660 WeakPolarHBondContact O-CG 3.42Å; R656-Q660 PolarHBondContact O-N 3.17Å
657W88Confident77.4Confident2 Ų252.8 Ų52.81%0.00825%0.249CC..Hα-helixtrans-52-54.9174.4170.174.9000111.6L578 S609 W616 I617 D653 F654 T659 Q660 I661 D740 A741 V744L578-W657 HydrophobicContact CD2-CB 3.8Å; S609-W657 PolarHBondContact O-NE1 3.08Å; W616-W657 HydrophobicContact CZ3-CB 4.29Å; W616-W657 HydrophobicContact CZ3-CG 4.49Å; I617-W657 HydrophobicContact CD1-CH2 4.25Å; I617-W657 HydrophobicContact CD1-CZ3 4.35Å; D653-W657 WeakPolarHBondContact O-CB 2.96Å; D653-W657 PolarHBondContact O-N 3.18Å; F654-W657 PolarHBondContact O-N 2.91Å; W657-T659 PolarHBondContact O-N 3.08Å; W657-T659 VanDerWaalsContact O-N 3.17Å; W657-Q660 PolarHBondContact O-N 2.78Å; W657-Q660 VanDerWaalsContact O-N 3.12Å; W657-I661 HydrophobicContact CZ2-CD1 4.1Å; W657-I661 HydrophobicContact CZ2-CG2 4.41Å; W657-I661 WeakPolarHBondContact O-CG2 3.21Å; W657-I661 PolarHBondContact O-N 3.18Å; W657-D740 HydrophobicContact CE3-CB 4.47Å; W657-D740 HydrophobicContact CZ3-CB 4.47Å; W657-A741 HydrophobicContact CH2-CB 4.31Å; W657-A741 HydrophobicContact CZ3-CB 4.23Å; W657-V744 HydrophobicContact CH2-CG2 4.18Å; W657-V744 HydrophobicContact CZ3-CG2 4.19Å
658G85.3Confident79.2Confident0 Ų045.9 Ų45.90%021%0.213CC..Hα-helixtrans-59.6-29.6-179.800000113.2F654 R656 I662F654-G658 PolarHBondContact O-N 3.47Å; R656-G658 PolarHBondContact O-N 2.68Å; G658-I662 WeakPolarHBondContact O-CD1 3.28Å; G658-I662 WeakPolarHBondContact O-CG1 3.32Å
659T88.1Confident80.6Confident52 Ų5241.3 Ų41.332%0.31920%0.198SC..Hα-helixtrans-79.4-38.2177-52.20000112.3H655 R656 W657 R663 R743H655-T659 WeakPolarHBondContact O-CB 3.27Å; H655-T659 PolarHBondContact O-N 3.05Å; H655-T659 VanDerWaalsContact O-N 3.17Å; H655-T659 PolarHBondContact O-OG1 3.27Å; R656-T659 PolarHBondContact O-N 3.48Å; R656-T659 VanDerWaalsContact O-N 3.11Å; W657-T659 PolarHBondContact O-N 3.08Å; W657-T659 VanDerWaalsContact O-N 3.17Å; T659-R663 PolarHBondContact O-N 3.44Å; T659-R743 PolarHBondContact OG1-NH1 2.8Å; T659-R743 PolarHBondContact OG1-NH2 3.19Å; T659-R743 VanDerWaalsContact OG1-NH2 3.17Å
660Q87.5Confident81.5Confident13 Ų1341.2 Ų41.26%0.06120%0.197CC..Hα-helixtrans-70.6-42.2179.5-71.5174.15.400112.2L578 I581 I585 R656 W657 I662 R663 L664L578-Q660 PolarHBondContact O-NE2 2.9Å; L578-Q660 PolarHBondContact O-OE1 3.48Å; I581-Q660 HydrophobicContact CG2-CB 4.12Å; I585-Q660 HydrophobicContact CD1-CB 4.18Å; I585-Q660 HydrophobicContact CD1-CG 4.49Å; R656-Q660 WeakPolarHBondContact O-CG 3.42Å; R656-Q660 PolarHBondContact O-N 3.17Å; W657-Q660 PolarHBondContact O-N 2.78Å; W657-Q660 VanDerWaalsContact O-N 3.12Å; Q660-I662 VanDerWaalsContact C-N 3.33Å; Q660-I662 PolarHBondContact O-N 3.41Å; Q660-R663 WeakPolarHBondContact O-CB 3.47Å; Q660-R663 PolarHBondContact O-N 2.64Å; Q660-L664 PolarHBondContact O-N 2.9Å
661I89Confident82.4Confident2 Ų236.9 Ų36.91%0.0118%0.178CC..Hα-helixtrans-69.4-31179-164.3173.2000112.3A610 W657 L664 I665 V744A610-I661 HydrophobicContact CB-CD1 3.83Å; W657-I661 HydrophobicContact CZ2-CD1 4.1Å; W657-I661 HydrophobicContact CZ2-CG2 4.41Å; W657-I661 WeakPolarHBondContact O-CG2 3.21Å; W657-I661 PolarHBondContact O-N 3.18Å; I661-L664 PolarHBondContact O-N 3.05Å; I661-I665 HydrophobicContact CG1-CD1 4.44Å; I661-I665 WeakPolarHBondContact O-CD1 3.41Å; I661-I665 VanDerWaalsContact O-CG1 3.31Å; I661-I665 WeakPolarHBondContact O-CG1 3.45Å; I661-I665 PolarHBondContact O-N 3.28Å; I661-V744 HydrophobicContact CD1-CG1 4.45Å; I661-V744 HydrophobicContact CG2-CB 4.29Å; I661-V744 HydrophobicContact CG2-CG1 3.89Å; I661-V744 HydrophobicContact CG2-CG2 3.32Å
662I89.4Confident83Confident24 Ų2433.8 Ų33.812%0.12316%0.162CC..Hα-helixtrans-64-43.1170.8-71.7169.1000110.8G658 Q660 L664 I665 D666 R743 V744 V747G658-I662 WeakPolarHBondContact O-CD1 3.28Å; G658-I662 WeakPolarHBondContact O-CG1 3.32Å; Q660-I662 VanDerWaalsContact C-N 3.33Å; Q660-I662 PolarHBondContact O-N 3.41Å; I662-L664 VanDerWaalsContact C-N 3.32Å; I662-L664 PolarHBondContact O-N 2.99Å; I662-I665 WeakPolarHBondContact O-CB 3.16Å; I662-I665 PolarHBondContact O-N 3.19Å; I662-I665 VanDerWaalsContact O-N 3.13Å; I662-D666 PolarHBondContact O-N 3.48Å; I662-R743 HydrophobicContact CD1-CG 3.78Å; I662-V744 HydrophobicContact CD1-CG2 4.39Å; I662-V744 HydrophobicContact CG1-CG2 4.25Å; I662-V747 HydrophobicContact CD1-CG2 3.92Å; I662-V747 HydrophobicContact CG1-CG2 4.04Å; I662-V747 HydrophobicContact CG2-CG2 4.2Å
663R87.5Confident82.9Confident138 Ų13829.2 Ų29.252%0.52114%0.138SC..Hα-helixtrans-58.2-42172.5-72.6-177.5173.8-141.6-0.3112.4I585 T659 Q660 I665 D666 M667I585-R663 HydrophobicContact CD1-CB 4.29Å; T659-R663 PolarHBondContact O-N 3.44Å; Q660-R663 WeakPolarHBondContact O-CB 3.47Å; Q660-R663 PolarHBondContact O-N 2.64Å; R663-I665 VanDerWaalsContact C-N 3.34Å; R663-I665 PolarHBondContact O-N 3.31Å; R663-D666 PolarHBondContact O-N 3.23Å; R663-M667 WeakPolarHBondContact O-CB 3.31Å; R663-M667 VanDerWaalsContact O-CG 3.22Å; R663-M667 WeakPolarHBondContact O-CG 3.32Å; R663-M667 PolarHBondContact O-N 3.04Å
664L87.5Confident82.5Confident0 Ų032.7 Ų32.70%016%0.163CC..Hα-helixtrans-62.5-39.7175.2-68.8171.9000112.3I581 I585 L605 C606 Q660 I661 I662 M667 E668I581-L664 HydrophobicContact CG2-CD1 4.25Å; I585-L664 HydrophobicContact CD1-CD2 4.25Å; I585-L664 HydrophobicContact CD1-CG 4.14Å; I585-L664 HydrophobicContact CG1-CD2 3.75Å; I585-L664 HydrophobicContact CG1-CG 4.2Å; L605-L664 HydrophobicContact CD2-CD1 4.5Å; L605-L664 HydrophobicContact CD2-CD2 3.79Å; L605-L664 HydrophobicContact CG-CD1 4.1Å; L605-L664 HydrophobicContact CG-CD2 4.17Å; C606-L664 HydrophobicContact CB-CB 4.25Å; Q660-L664 PolarHBondContact O-N 2.9Å; I661-L664 PolarHBondContact O-N 3.05Å; I662-L664 VanDerWaalsContact C-N 3.32Å; I662-L664 PolarHBondContact O-N 2.99Å; L664-M667 PolarHBondContact O-N 3.28Å; L664-E668 WeakPolarHBondContact O-CB 3.03Å; L664-E668 PolarHBondContact O-N 2.8Å; L664-E668 VanDerWaalsContact O-N 3.08Å
665I87Confident82Confident0 Ų035.7 Ų35.70%018%0.18CC..Hα-helixtrans-64.7-39.2175.3-69.9159.7000111.7I661 I662 R663 E668 L671 V744 V747 L748I661-I665 HydrophobicContact CG1-CD1 4.44Å; I661-I665 WeakPolarHBondContact O-CD1 3.41Å; I661-I665 VanDerWaalsContact O-CG1 3.31Å; I661-I665 WeakPolarHBondContact O-CG1 3.45Å; I661-I665 PolarHBondContact O-N 3.28Å; I662-I665 WeakPolarHBondContact O-CB 3.16Å; I662-I665 PolarHBondContact O-N 3.19Å; I662-I665 VanDerWaalsContact O-N 3.13Å; R663-I665 VanDerWaalsContact C-N 3.34Å; R663-I665 PolarHBondContact O-N 3.31Å; I665-E668 PolarHBondContact O-N 2.79Å; I665-L671 HydrophobicContact CB-CD1 4.49Å; I665-L671 HydrophobicContact CG1-CD1 4.39Å; I665-L671 HydrophobicContact CG2-CB 4.43Å; I665-L671 HydrophobicContact CG2-CD1 4.03Å; I665-V744 HydrophobicContact CD1-CG1 4.11Å; I665-V747 HydrophobicContact CG2-CG1 4.02Å; I665-L748 HydrophobicContact CD1-CD1 4.48Å; I665-L748 HydrophobicContact CD1-CD2 3.68Å; I665-L748 HydrophobicContact CD1-CG 3.96Å; I665-L748 HydrophobicContact CG1-CD2 4.11Å; I665-L748 HydrophobicContact CG2-CD2 4.37Å
666D85.4Confident81.1Confident59 Ų5936.6 Ų36.632%0.31618%0.183SC..Hα-helixtrans-75.8-27.3179.1-68.9-34.9000113.1I662 R663 N672 R751I662-D666 PolarHBondContact O-N 3.48Å; R663-D666 PolarHBondContact O-N 3.23Å; D666-N672 PolarHBondContact O-ND2 3.3Å; D666-N672 VanDerWaalsContact O-ND2 3.08Å; D666-R751 IonicContact OD1-CZ 2.82Å; D666-R751 IonicContact OD1-NE 3.55Å; D666-R751 IonicContact OD1-NH2 3.05Å; D666-R751 PolarHBondContact OD1-NH2 3.15Å
667M82.3Confident80Confident37 Ų3738 Ų3818%0.18220%0.203CC..Hα-helixtrans-79.1-20.1172.4-68.6175.380.500113.8I585 L588 E589 I602 R663 L664 P669I585-M667 HydrophobicContact CG2-SD 3.9Å; L588-M667 HydrophobicContact CB-CE 3.86Å; E589-M667 HydrophobicContact CG-CE 3.89Å; I602-M667 HydrophobicContact CD1-CB 4.01Å; R663-M667 WeakPolarHBondContact O-CB 3.31Å; R663-M667 VanDerWaalsContact O-CG 3.22Å; R663-M667 WeakPolarHBondContact O-CG 3.32Å; R663-M667 PolarHBondContact O-N 3.04Å; L664-M667 PolarHBondContact O-N 3.28Å; M667-P669 VanDerWaalsContact O-CD 3.29Å; M667-P669 WeakPolarHBondContact O-CD 3.39Å
668E82.9Confident78.8Confident1 Ų141.9 Ų41.91%0.00522%0.223CC..  trans-74.9109.3178.5172.664.3-163.900110.4I599 I602 S603 L664 I665 R670 L671 N672 L694I599-E668 WeakPolarHBondContact CG2-OE1 3.4Å; I602-E668 HydrophobicContact CG2-CB 3.9Å; S603-E668 PolarHBondContact N-OE2 2.9Å; L664-E668 WeakPolarHBondContact O-CB 3.03Å; L664-E668 PolarHBondContact O-N 2.8Å; L664-E668 VanDerWaalsContact O-N 3.08Å; I665-E668 PolarHBondContact O-N 2.79Å; E668-R670 HydrophobicContact CG-CB 4.48Å; E668-R670 PolarHBondContact O-N 3.28Å; E668-R670 VanDerWaalsContact O-N 3.15Å; E668-R670 IonicContact OE1-CZ 2.71Å; E668-R670 VanDerWaalsContact OE1-CZ 3.25Å; E668-R670 IonicContact OE1-NE 3.92Å; E668-R670 PolarHBondContact OE1-NE 3.38Å; E668-R670 IonicContact OE1-NH2 3.56Å; E668-R670 PolarHBondContact OE1-NH2 2.7Å; E668-L671 HydrophobicContact CB-CB 4.31Å; E668-L671 HydrophobicContact CB-CD1 4.22Å; E668-L671 HydrophobicContact CB-CG 4.3Å; E668-L671 HydrophobicContact CG-CB 4.07Å; E668-L671 HydrophobicContact CG-CD1 3.87Å; E668-L671 HydrophobicContact CG-CG 3.66Å; E668-L671 PolarHBondContact O-N 2.96Å; E668-N672 PolarHBondContact O-N 3.06Å; E668-L694 HydrophobicContact CG-CD2 3.75Å; E668-L694 VanDerWaalsContact OE1-CD2 3.25Å; E668-L694 WeakPolarHBondContact OE1-CD2 3.22Å
669P76.8Confident77.8Confident24 Ų2442 Ų4216%0.15622%0.224CC..THydrogen-bonded Turntrans-73.1-13.3-168.630.7-36.7000113.8I599 M667 I682I599-P669 HydrophobicContact CB-CG 4.35Å; I599-P669 HydrophobicContact CD1-CG 3.98Å; I599-P669 HydrophobicContact CG1-CG 3.75Å; I599-P669 HydrophobicContact CG2-CG 4.09Å; M667-P669 VanDerWaalsContact O-CD 3.29Å; M667-P669 WeakPolarHBondContact O-CD 3.39Å; P669-I682 HydrophobicContact CB-CD1 3.77Å; P669-I682 HydrophobicContact CG-CD1 4.12Å
670R76.4Confident76.6Confident11 Ų1141.6 Ų41.64%0.04222%0.219CC..THydrogen-bonded Turntrans-74.7-32.3168.5-71.7-179.2-63.7-151.6-6.6112.6I599 S603 E668 I682 L683 F691I599-R670 HydrophobicContact CG2-CG 3.91Å; I599-R670 VanDerWaalsContact CG2-CZ 3.41Å; I599-R670 VanDerWaalsContact CG2-NE 3.29Å; S603-R670 PolarHBondContact OG-NH2 3.46Å; E668-R670 HydrophobicContact CG-CB 4.48Å; E668-R670 PolarHBondContact O-N 3.28Å; E668-R670 VanDerWaalsContact O-N 3.15Å; E668-R670 IonicContact OE1-CZ 2.71Å; E668-R670 VanDerWaalsContact OE1-CZ 3.25Å; E668-R670 IonicContact OE1-NE 3.92Å; E668-R670 PolarHBondContact OE1-NE 3.38Å; E668-R670 IonicContact OE1-NH2 3.56Å; E668-R670 PolarHBondContact OE1-NH2 2.7Å; R670-I682 HydrophobicContact CG-CG2 3.71Å; R670-L683 HydrophobicContact CG-CD2 4.31Å; R670-F691 VanDerWaalsContact O-CD2 3.24Å; R670-F691 WeakPolarHBondContact O-CD2 3.17Å; R670-F691 WeakPolarHBondContact O-CE2 3.44Å
671L79.7Confident75.4Confident0 Ų046.6 Ų46.60%024%0.242CC..THydrogen-bonded Turntrans-88.2-26.3-179.6-62.3-179000112.2I665 E668 L673 F691 L694 I695 I698 R751I665-L671 HydrophobicContact CB-CD1 4.49Å; I665-L671 HydrophobicContact CG1-CD1 4.39Å; I665-L671 HydrophobicContact CG2-CB 4.43Å; I665-L671 HydrophobicContact CG2-CD1 4.03Å; E668-L671 HydrophobicContact CB-CB 4.31Å; E668-L671 HydrophobicContact CB-CD1 4.22Å; E668-L671 HydrophobicContact CB-CG 4.3Å; E668-L671 HydrophobicContact CG-CB 4.07Å; E668-L671 HydrophobicContact CG-CD1 3.87Å; E668-L671 HydrophobicContact CG-CG 3.66Å; E668-L671 PolarHBondContact O-N 2.96Å; L671-L673 PolarHBondContact O-N 3.31Å; L671-F691 HydrophobicContact CD2-CD2 4.19Å; L671-F691 HydrophobicContact CD2-CE2 3.81Å; L671-F691 HydrophobicContact CD2-CZ 4.13Å; L671-L694 HydrophobicContact CD1-CD2 4.13Å; L671-L694 HydrophobicContact CD1-CG 4.5Å; L671-L694 HydrophobicContact CD2-CD2 4.22Å; L671-L694 HydrophobicContact CG-CD2 4.01Å; L671-I695 HydrophobicContact CD2-CD1 3.67Å; L671-I695 HydrophobicContact CD2-CG1 4.11Å; L671-I698 HydrophobicContact CD1-CD1 3.88Å; L671-R751 WeakPolarHBondContact O-CD 3.38Å
672N76.2Confident74.3Confident45 Ų4547.2 Ų47.224%0.24125%0.245CC..  trans-79.785.1177.9-165.6-16.5000112.4D666 E668 S674 T679D666-N672 PolarHBondContact O-ND2 3.3Å; D666-N672 VanDerWaalsContact O-ND2 3.08Å; E668-N672 PolarHBondContact O-N 3.06Å; N672-S674 PolarHBondContact O-N 3.13Å; N672-S674 WeakPolarHBondContact OD1-CB 3.37Å; N672-S674 PolarHBondContact OD1-N 2.92Å; N672-S674 PolarHBondContact OD1-OG 3.43Å; N672-T679 PolarHBondContact O-OG1 2.85Å
673L71.7Confident73.2Confident10 Ų1046.8 Ų46.85%0.05224%0.243CC..THydrogen-bonded Turntrans-73.94.8178.4-69.5152.1000115L671 T679 F691 R751 L754 F755L671-L673 PolarHBondContact O-N 3.31Å; L673-T679 HydrophobicContact CD2-CG2 3.89Å; L673-T679 HydrophobicContact CG-CG2 4.38Å; L673-F691 HydrophobicContact CD1-CE2 4.07Å; L673-F691 HydrophobicContact CD1-CZ 4.12Å; L673-F691 HydrophobicContact CG-CE2 4.45Å; L673-R751 HydrophobicContact CD1-CB 4.48Å; L673-R751 WeakPolarHBondContact CD1-O 3.21Å; L673-L754 HydrophobicContact CD1-CB 3.87Å; L673-F755 HydrophobicContact CD1-CB 3.98Å
674S67.8Low72Confident91 Ų9148.6 Ų48.664%0.63625%0.25SC*.THydrogen-bonded Turntrans-66.5-39.8-177.662.70000112.7N672 K676N672-S674 PolarHBondContact O-N 3.13Å; N672-S674 WeakPolarHBondContact OD1-CB 3.37Å; N672-S674 PolarHBondContact OD1-N 2.92Å; N672-S674 PolarHBondContact OD1-OG 3.43Å; S674-K676 PolarHBondContact O-N 3.01Å
675N66.6Low70.6Confident81 Ų8153.4 Ų53.443%0.43328%0.275SS..SBendtrans-101.675.1176-167-29.7000110.4S677 I678 T679N675-S677 PolarHBondContact O-N 2.87Å; N675-I678 HydrophobicContact CB-CB 4.39Å; N675-I678 HydrophobicContact CB-CD1 4.49Å; N675-I678 WeakPolarHBondContact ND2-CD1 3.33Å; N675-I678 PolarHBondContact O-N 3.4Å; N675-T679 PolarHBondContact O-N 3.26Å; N675-T679 PolarHBondContact O-OG1 2.73Å; N675-T679 VanDerWaalsContact O-OG1 3.07Å
676K64Low69.2Low113 Ų11355.2 Ų55.249%0.49129%0.286SS..Hα-helixtrans-48.5-36.1-173-56.6-165.6-174.1-163.50114.2S674 M680 D758S674-K676 PolarHBondContact O-N 3.01Å; K676-M680 VanDerWaalsContact O-CB 3.26Å; K676-M680 WeakPolarHBondContact O-CB 3.37Å; K676-M680 PolarHBondContact O-N 3.22Å; K676-D758 WeakPolarHBondContact CE-OD2 3.42Å; K676-D758 IonicContact NZ-OD1 3.32Å; K676-D758 PolarHBondContact NZ-OD1 2.95Å; K676-D758 IonicContact NZ-OD2 3.56Å; K676-D758 PolarHBondContact NZ-OD2 2.9Å
677S60.6Low67.8Low95 Ų9553.9 Ų53.966%0.66429%0.286SS*.Hα-helixtrans-63.7-47.3178.3-173.90000111.9N675 H681N675-S677 PolarHBondContact O-N 2.87Å; S677-H681 VanDerWaalsContact O-CB 3.28Å; S677-H681 WeakPolarHBondContact O-CB 3.49Å; S677-H681 PolarHBondContact O-N 2.87Å
678I64Low66.4Low84 Ų8456 Ų5643%0.43130%0.296SS..Hα-helixtrans-67.9-47177.2-63.4-177.7000110.3N675 M680 H681 I682N675-I678 HydrophobicContact CB-CB 4.39Å; N675-I678 HydrophobicContact CB-CD1 4.49Å; N675-I678 WeakPolarHBondContact ND2-CD1 3.33Å; N675-I678 PolarHBondContact O-N 3.4Å; I678-M680 VanDerWaalsContact C-N 3.34Å; I678-M680 PolarHBondContact O-N 2.87Å; I678-H681 PolarHBondContact O-N 2.78Å; I678-I682 HydrophobicContact CG2-CD1 3.69Å; I678-I682 HydrophobicContact CG2-CG1 4.37Å; I678-I682 WeakPolarHBondContact O-CB 3.23Å; I678-I682 WeakPolarHBondContact O-CG1 3.36Å; I678-I682 PolarHBondContact O-N 2.8Å
679T63.3Low65.3Low3 Ų361 Ų612%0.01832%0.319CS..Hα-helixtrans-58.5-45.4179.8-37.30000111.2N672 L673 N675 I682 L683N672-T679 PolarHBondContact O-OG1 2.85Å; L673-T679 HydrophobicContact CD2-CG2 3.89Å; L673-T679 HydrophobicContact CG-CG2 4.38Å; N675-T679 PolarHBondContact O-N 3.26Å; N675-T679 PolarHBondContact O-OG1 2.73Å; N675-T679 VanDerWaalsContact O-OG1 3.07Å; T679-I682 PolarHBondContact O-N 3.02Å; T679-L683 HydrophobicContact CG2-CD1 4.21Å; T679-L683 WeakPolarHBondContact O-CB 3.44Å; T679-L683 VanDerWaalsContact O-CG 3.3Å; T679-L683 WeakPolarHBondContact O-CG 3.4Å; T679-L683 PolarHBondContact O-N 3.42Å
680M63.6Low65Low43 Ų4361.8 Ų61.821%0.21232%0.322CS..Hα-helixtrans-70.1-36.5177.7-91.9-69.8-113.200114.1K676 I678 I682 R684 E759K676-M680 VanDerWaalsContact O-CB 3.26Å; K676-M680 WeakPolarHBondContact O-CB 3.37Å; K676-M680 PolarHBondContact O-N 3.22Å; I678-M680 VanDerWaalsContact C-N 3.34Å; I678-M680 PolarHBondContact O-N 2.87Å; M680-I682 VanDerWaalsContact C-N 3.31Å; M680-R684 WeakPolarHBondContact O-CB 3.37Å; M680-R684 VanDerWaalsContact O-CG 3.24Å; M680-R684 WeakPolarHBondContact O-CG 3.28Å; M680-R684 PolarHBondContact O-N 2.82Å; M680-E759 VanDerWaalsContact CE-CD 3.48Å; M680-E759 WeakPolarHBondContact CE-OE1 3.16Å; M680-E759 WeakPolarHBondContact CE-OE2 3.29Å; M680-E759 VanDerWaalsContact SD-CD 3.52Å; M680-E759 VanDerWaalsContact SD-OE2 3.36Å
681H62.3Low65.3Low118 Ų11861.4 Ų61.455%0.54632%0.32SS..Hα-helixtrans-62.3-42.5172.8-173.2-124.5000110.8S677 I678 R684 L685S677-H681 VanDerWaalsContact O-CB 3.28Å; S677-H681 WeakPolarHBondContact O-CB 3.49Å; S677-H681 PolarHBondContact O-N 2.87Å; I678-H681 PolarHBondContact O-N 2.78Å; H681-R684 PolarHBondContact O-N 3.45Å; H681-L685 VanDerWaalsContact CE1-CD1 3.42Å; H681-L685 WeakPolarHBondContact CE1-CD1 3.16Å; H681-L685 VanDerWaalsContact O-CB 3.3Å; H681-L685 WeakPolarHBondContact O-CB 3.41Å; H681-L685 VanDerWaalsContact O-CG 3.27Å; H681-L685 WeakPolarHBondContact O-CG 3.26Å; H681-L685 PolarHBondContact O-N 2.73Å
682I65.4Low65.4Low15 Ų1561.6 Ų61.68%0.07732%0.322CS..Hα-helixtrans-65.6-45.8176.3-75.3174.9000112.3I599 P669 R670 I678 T679 M680 R684 L685 T686I599-I682 HydrophobicContact CD1-CB 4.49Å; I599-I682 HydrophobicContact CD1-CD1 4.16Å; I599-I682 HydrophobicContact CD1-CG1 4.32Å; I599-I682 HydrophobicContact CD1-CG2 3.43Å; I599-I682 VanDerWaalsContact CD1-CG2 3.43Å; P669-I682 HydrophobicContact CB-CD1 3.77Å; P669-I682 HydrophobicContact CG-CD1 4.12Å; R670-I682 HydrophobicContact CG-CG2 3.71Å; I678-I682 HydrophobicContact CG2-CD1 3.69Å; I678-I682 HydrophobicContact CG2-CG1 4.37Å; I678-I682 WeakPolarHBondContact O-CB 3.23Å; I678-I682 WeakPolarHBondContact O-CG1 3.36Å; I678-I682 PolarHBondContact O-N 2.8Å; T679-I682 PolarHBondContact O-N 3.02Å; M680-I682 VanDerWaalsContact C-N 3.31Å; I682-R684 VanDerWaalsContact C-N 3.31Å; I682-R684 PolarHBondContact O-N 2.95Å; I682-L685 PolarHBondContact O-N 2.98Å; I682-T686 HydrophobicContact CG2-CG2 4.36Å; I682-T686 WeakPolarHBondContact O-CB 3.5Å; I682-T686 WeakPolarHBondContact O-CG2 3.15Å; I682-T686 PolarHBondContact O-N 2.91Å; I682-T686 PolarHBondContact O-OG1 3.11Å
683L66.2Low65.7Low14 Ų1462.5 Ų62.57%0.07333%0.327CS..Hα-helixtrans-63.4-37.1177.9-71.3170.6000111.6R670 T679 G687 F691 F755R670-L683 HydrophobicContact CG-CD2 4.31Å; T679-L683 HydrophobicContact CG2-CD1 4.21Å; T679-L683 WeakPolarHBondContact O-CB 3.44Å; T679-L683 VanDerWaalsContact O-CG 3.3Å; T679-L683 WeakPolarHBondContact O-CG 3.4Å; T679-L683 PolarHBondContact O-N 3.42Å; L683-G687 CarbonylContact O-C 3.54Å; L683-G687 PolarHBondContact O-N 2.92Å; L683-F691 HydrophobicContact CD2-CB 4.12Å; L683-F755 HydrophobicContact CD1-CE2 4.27Å
684R62Low66.3Low177 Ų17762.4 Ų62.467%0.66833%0.326SS*.Hα-helixtrans-69.2-39.6172.5-69.8170.1-178178.6-0.7112.8M680 H681 I682M680-R684 WeakPolarHBondContact O-CB 3.37Å; M680-R684 VanDerWaalsContact O-CG 3.24Å; M680-R684 WeakPolarHBondContact O-CG 3.28Å; M680-R684 PolarHBondContact O-N 2.82Å; H681-R684 PolarHBondContact O-N 3.45Å; I682-R684 VanDerWaalsContact C-N 3.31Å; I682-R684 PolarHBondContact O-N 2.95Å
685L57.7Low67.2Low100 Ų10058.1 Ų58.152%0.52430%0.296SS..Hα-helixtrans-75.2-25.8-179.9-79179.3000114.8H681 I682H681-L685 VanDerWaalsContact CE1-CD1 3.42Å; H681-L685 WeakPolarHBondContact CE1-CD1 3.16Å; H681-L685 VanDerWaalsContact O-CB 3.3Å; H681-L685 WeakPolarHBondContact O-CB 3.41Å; H681-L685 VanDerWaalsContact O-CG 3.27Å; H681-L685 WeakPolarHBondContact O-CG 3.26Å; H681-L685 PolarHBondContact O-N 2.73Å; I682-L685 PolarHBondContact O-N 2.98Å
686T58.4Low68.1Low38 Ų3856.9 Ų56.923%0.23329%0.285CS..Hα-helixtrans-95.2-7.7179.155.30000113I599 I682 N690I599-T686 HydrophobicContact CD1-CG2 4.24Å; I682-T686 HydrophobicContact CG2-CG2 4.36Å; I682-T686 WeakPolarHBondContact O-CB 3.5Å; I682-T686 WeakPolarHBondContact O-CG2 3.15Å; I682-T686 PolarHBondContact O-N 2.91Å; I682-T686 PolarHBondContact O-OG1 3.11Å; T686-N690 WeakPolarHBondContact CB-ND2 3.42Å; T686-N690 PolarHBondContact O-ND2 2.74Å; T686-N690 PolarHBondContact OG1-ND2 2.87Å
687G56Low69.2Low32 Ų3255 Ų5533%0.3328%0.28SS..  trans89.6144.2-171.300000111.6L683 Q689 N690L683-G687 CarbonylContact O-C 3.54Å; L683-G687 PolarHBondContact O-N 2.92Å; G687-Q689 PolarHBondContact O-N 2.91Å; G687-N690 PolarHBondContact O-ND2 2.98Å
688E53.7Low70.5Confident82 Ų8250.5 Ų50.538%0.38325%0.248SC..SBendtrans-67.76.7-169.7-52.8-168141.400115.6R761 Q766E688-R761 VanDerWaalsContact CD-NH1 3.28Å; E688-R761 IonicContact OE1-CZ 2.69Å; E688-R761 IonicContact OE1-NH1 2.67Å; E688-R761 IonicContact OE1-NH2 3.88Å; E688-R761 PolarHBondContact OE1-NH2 3.39Å; E688-R761 IonicContact OE2-CZ 3.84Å; E688-R761 IonicContact OE2-NH1 2.63Å; E688-R761 PolarHBondContact OE2-NH1 3.09Å; E688-R761 IonicContact OE2-NH2 3.63Å; E688-R761 PolarHBondContact OE2-NH2 3.3Å; E688-Q766 PolarHBondContact OE2-NE2 3.33Å
689Q58.6Low71.6Confident106 Ų10646.5 Ų46.550%0.49523%0.228SC..SBendtrans-116.728.2-163.3-59.3-178.5-47.100113.3G687 E764G687-Q689 PolarHBondContact O-N 2.91Å; Q689-E764 VanDerWaalsContact C-OE1 3.23Å
690N71.7Confident72.7Confident39 Ų3949.3 Ų49.321%0.20924%0.242CC..SBendtrans-115.9-27.4-171.9-70.6-59.8000115.3T686 G687 L694 E764T686-N690 WeakPolarHBondContact CB-ND2 3.42Å; T686-N690 PolarHBondContact O-ND2 2.74Å; T686-N690 PolarHBondContact OG1-ND2 2.87Å; G687-N690 PolarHBondContact O-ND2 2.98Å; N690-L694 WeakPolarHBondContact O-CB 3.3Å; N690-L694 PolarHBondContact O-N 3.39Å; N690-E764 PolarHBondContact N-OE1 2.67Å
691F81.3Confident73.5Confident3 Ų347.4 Ų47.41%0.01323%0.234CC..Hα-helixtrans-72.3-55.1-172.3-175.2-82.6000112R670 L671 L673 L683 N693 L694 I695 L752 F755R670-F691 VanDerWaalsContact O-CD2 3.24Å; R670-F691 WeakPolarHBondContact O-CD2 3.17Å; R670-F691 WeakPolarHBondContact O-CE2 3.44Å; L671-F691 HydrophobicContact CD2-CD2 4.19Å; L671-F691 HydrophobicContact CD2-CE2 3.81Å; L671-F691 HydrophobicContact CD2-CZ 4.13Å; L673-F691 HydrophobicContact CD1-CE2 4.07Å; L673-F691 HydrophobicContact CD1-CZ 4.12Å; L673-F691 HydrophobicContact CG-CE2 4.45Å; L683-F691 HydrophobicContact CD2-CB 4.12Å; F691-N693 VanDerWaalsContact C-N 3.31Å; F691-L694 PolarHBondContact O-N 3.4Å; F691-I695 HydrophobicContact CD1-CG1 4.17Å; F691-I695 HydrophobicContact CE1-CD1 4.45Å; F691-I695 HydrophobicContact CE1-CG1 3.81Å; F691-I695 HydrophobicContact CZ-CG1 4.34Å; F691-I695 WeakPolarHBondContact O-CG1 3.36Å; F691-I695 PolarHBondContact O-N 3.34Å; F691-L752 HydrophobicContact CE1-CD1 4.06Å; F691-F755 HydrophobicContact CB-CD2 4.16Å; F691-F755 HydrophobicContact CB-CE2 3.67Å; F691-F755 HydrophobicContact CB-CZ 3.98Å; F691-F755 HydrophobicContact CD1-CB 4.09Å; F691-F755 AromaticContact CD1-CD1 3.74Å; F691-F755 HydrophobicContact CD1-CD1 3.74Å; F691-F755 AromaticContact CD1-CD2 3.55Å; F691-F755 HydrophobicContact CD1-CD2 3.55Å; F691-F755 HydrophobicContact CD1-CE1 4.01Å; F691-F755 AromaticContact CD1-CE2 3.82Å; F691-F755 HydrophobicContact CD1-CE2 3.82Å; F691-F755 AromaticContact CD1-CG 3.51Å; F691-F755 HydrophobicContact CD1-CG 3.51Å; F691-F755 HydrophobicContact CD1-CZ 4.04Å; F691-F755 AromaticContact CD2-CD2 3.71Å; F691-F755 HydrophobicContact CD2-CD2 3.71Å; F691-F755 HydrophobicContact CD2-CE2 4.06Å; F691-F755 HydrophobicContact CD2-CG 4.35Å; F691-F755 HydrophobicContact CE1-CB 3.48Å; F691-F755 VanDerWaalsContact CE1-CB 3.48Å; F691-F755 AromaticContact CE1-CD1 3.89Å; F691-F755 HydrophobicContact CE1-CD1 3.89Å; F691-F755 AromaticContact CE1-CD2 3.82Å; F691-F755 HydrophobicContact CE1-CD2 3.82Å; F691-F755 AromaticContact CE1-CG 3.45Å; F691-F755 HydrophobicContact CE1-CG 3.45Å; F691-F755 VanDerWaalsContact CE1-CG 3.45Å; F691-F755 HydrophobicContact CE2-CB 4.2Å; F691-F755 AromaticContact CE2-CD2 3.94Å; F691-F755 HydrophobicContact CE2-CD2 3.94Å; F691-F755 HydrophobicContact CE2-CG 4.27Å; F691-F755 HydrophobicContact CG-CD1 4.47Å; F691-F755 AromaticContact CG-CD2 3.52Å; F691-F755 HydrophobicContact CG-CD2 3.52Å; F691-F755 AromaticContact CG-CE2 3.57Å; F691-F755 HydrophobicContact CG-CE2 3.57Å; F691-F755 AromaticContact CG-CG 4Å; F691-F755 HydrophobicContact CG-CG 4Å; F691-F755 HydrophobicContact CG-CZ 4.1Å; F691-F755 HydrophobicContact CZ-CB 3.55Å; F691-F755 HydrophobicContact CZ-CD2 4.01Å; F691-F755 AromaticContact CZ-CG 3.86Å; F691-F755 HydrophobicContact CZ-CG 3.86Å
692L82.3Confident74.6Confident5 Ų541.8 Ų41.83%0.02621%0.208CC..Hα-helixtrans-73.3-29.9-177.5-60.7170.1000110.5I695 R696 L752 F755 E764 T775L692-I695 PolarHBondContact O-N 3.31Å; L692-R696 VanDerWaalsContact O-CB 3.27Å; L692-R696 WeakPolarHBondContact O-CB 3.22Å; L692-R696 PolarHBondContact O-N 3.42Å; L692-L752 HydrophobicContact CD2-CD1 3.38Å; L692-F755 HydrophobicContact CD1-CE1 4.17Å; L692-F755 HydrophobicContact CD2-CD1 4.17Å; L692-F755 HydrophobicContact CD2-CE1 4.05Å; L692-F755 HydrophobicContact CG-CE1 3.97Å; L692-E764 HydrophobicContact CB-CG 3.67Å; L692-E764 HydrophobicContact CD1-CG 3.94Å; L692-E764 HydrophobicContact CG-CG 4.24Å; L692-E764 PolarHBondContact N-OE1 3.21Å; L692-E764 VanDerWaalsContact N-OE1 3.12Å; L692-T775 HydrophobicContact CB-CG2 4.29Å; L692-T775 WeakPolarHBondContact O-CG2 3.44Å
693N83.1Confident75.4Confident64 Ų6441.3 Ų41.334%0.34221%0.205SC..Hα-helixtrans-60.6-48.3170.4-163.5-1.1000111.2F691 R696 L697 E764F691-N693 VanDerWaalsContact C-N 3.31Å; N693-R696 WeakPolarHBondContact O-CB 3.49Å; N693-R696 PolarHBondContact O-N 3.28Å; N693-R696 VanDerWaalsContact O-N 3.15Å; N693-L697 WeakPolarHBondContact O-CG 3.25Å; N693-L697 PolarHBondContact O-N 2.82Å; N693-E764 WeakPolarHBondContact CB-OE1 3.45Å; N693-E764 WeakPolarHBondContact CB-OE2 3.44Å; N693-E764 PolarHBondContact N-OE1 3.34Å; N693-E764 PolarHBondContact N-OE2 2.85Å
694L83.7Confident76Confident8 Ų843 Ų434%0.04222%0.217CC..Hα-helixtrans-64.7-42.6177.4-178.158000112.1V607 E668 L671 N690 F691 R696 L697 I698V607-L694 HydrophobicContact CG2-CD1 3.98Å; E668-L694 HydrophobicContact CG-CD2 3.75Å; E668-L694 VanDerWaalsContact OE1-CD2 3.25Å; E668-L694 WeakPolarHBondContact OE1-CD2 3.22Å; L671-L694 HydrophobicContact CD1-CD2 4.13Å; L671-L694 HydrophobicContact CD1-CG 4.5Å; L671-L694 HydrophobicContact CD2-CD2 4.22Å; L671-L694 HydrophobicContact CG-CD2 4.01Å; N690-L694 WeakPolarHBondContact O-CB 3.3Å; N690-L694 PolarHBondContact O-N 3.39Å; F691-L694 PolarHBondContact O-N 3.4Å; L694-R696 VanDerWaalsContact C-N 3.31Å; L694-R696 PolarHBondContact O-N 2.78Å; L694-L697 PolarHBondContact O-N 2.99Å; L694-I698 HydrophobicContact CD1-CD1 4.11Å; L694-I698 HydrophobicContact CD1-CG1 4.34Å; L694-I698 HydrophobicContact CG-CD1 4.04Å; L694-I698 VanDerWaalsContact O-CG1 3.3Å; L694-I698 WeakPolarHBondContact O-CG1 3.16Å; L694-I698 PolarHBondContact O-N 3.07Å
695I87Confident76.6Confident0 Ų036.5 Ų36.50%020%0.196CC..Hα-helixtrans-58.1-44.3171.4-67.1-66.3000110.5L671 F691 L692 I698 L699 L748 T775L671-I695 HydrophobicContact CD2-CD1 3.67Å; L671-I695 HydrophobicContact CD2-CG1 4.11Å; F691-I695 HydrophobicContact CD1-CG1 4.17Å; F691-I695 HydrophobicContact CE1-CD1 4.45Å; F691-I695 HydrophobicContact CE1-CG1 3.81Å; F691-I695 HydrophobicContact CZ-CG1 4.34Å; F691-I695 WeakPolarHBondContact O-CG1 3.36Å; F691-I695 PolarHBondContact O-N 3.34Å; L692-I695 PolarHBondContact O-N 3.31Å; I695-I698 PolarHBondContact O-N 2.83Å; I695-L699 HydrophobicContact CG2-CD1 3.82Å; I695-L699 HydrophobicContact CG2-CG 4.33Å; I695-L699 WeakPolarHBondContact O-CB 3.43Å; I695-L699 VanDerWaalsContact O-CG 3.25Å; I695-L699 WeakPolarHBondContact O-CG 3.37Å; I695-L699 PolarHBondContact O-N 2.73Å; I695-L748 HydrophobicContact CD1-CD2 3.84Å; I695-T775 HydrophobicContact CB-CG2 4.14Å; I695-T775 HydrophobicContact CG2-CG2 3.74Å
696R85.8Confident77.5Confident56 Ų5631.8 Ų31.821%0.21117%0.171CC..Hα-helixtrans-61.2-45.5177.6-166.3-177.1-174.5158.55.9111.7L692 N693 L694 L699 I700 S711 D772 S774 T775L692-R696 VanDerWaalsContact O-CB 3.27Å; L692-R696 WeakPolarHBondContact O-CB 3.22Å; L692-R696 PolarHBondContact O-N 3.42Å; N693-R696 WeakPolarHBondContact O-CB 3.49Å; N693-R696 PolarHBondContact O-N 3.28Å; N693-R696 VanDerWaalsContact O-N 3.15Å; L694-R696 VanDerWaalsContact C-N 3.31Å; L694-R696 PolarHBondContact O-N 2.78Å; R696-L699 PolarHBondContact O-N 3.17Å; R696-I700 HydrophobicContact CG-CD1 3.99Å; R696-I700 WeakPolarHBondContact O-CB 3.39Å; R696-I700 WeakPolarHBondContact O-CG1 3.49Å; R696-I700 PolarHBondContact O-N 3.28Å; R696-S711 PolarHBondContact NH2-OG 2.98Å; R696-D772 IonicContact CZ-OD2 3.73Å; R696-D772 IonicContact NH1-OD2 3.66Å; R696-D772 PolarHBondContact NH1-OD2 3.47Å; R696-D772 IonicContact NH2-OD2 3.9Å; R696-S774 PolarHBondContact NH1-OG 2.86Å; R696-S774 PolarHBondContact NH2-OG 3.44Å; R696-T775 HydrophobicContact CB-CG2 4.1Å
697L86.6Confident78.3Confident73 Ų7330.1 Ų30.138%0.38216%0.16SC..Hα-helixtrans-63.4-39.7177.8-70.6169.5000112V607 N693 L694 I700 G701V607-L697 HydrophobicContact CG1-CB 4.24Å; V607-L697 HydrophobicContact CG2-CB 3.73Å; N693-L697 WeakPolarHBondContact O-CG 3.25Å; N693-L697 PolarHBondContact O-N 2.82Å; L694-L697 PolarHBondContact O-N 2.99Å; L697-I700 PolarHBondContact O-N 3.45Å; L697-G701 PolarHBondContact O-N 3.26Å
698I87.3Confident79.2Confident0 Ų035.3 Ų35.30%018%0.176CC..Hα-helixtrans-67.7-41.5174.8-64.3164.9000110.8V607 A610 L671 L694 I695 G701 I702 L748V607-I698 HydrophobicContact CG2-CG1 4.05Å; A610-I698 HydrophobicContact CB-CG2 4.23Å; L671-I698 HydrophobicContact CD1-CD1 3.88Å; L694-I698 HydrophobicContact CD1-CD1 4.11Å; L694-I698 HydrophobicContact CD1-CG1 4.34Å; L694-I698 HydrophobicContact CG-CD1 4.04Å; L694-I698 VanDerWaalsContact O-CG1 3.3Å; L694-I698 WeakPolarHBondContact O-CG1 3.16Å; L694-I698 PolarHBondContact O-N 3.07Å; I695-I698 PolarHBondContact O-N 2.83Å; I698-G701 PolarHBondContact O-N 3.34Å; I698-I702 HydrophobicContact CG2-CD1 4.12Å; I698-I702 WeakPolarHBondContact O-CG1 3.38Å; I698-I702 PolarHBondContact O-N 2.91Å; I698-L748 HydrophobicContact CD1-CD2 4.19Å; I698-L748 HydrophobicContact CG2-CD1 3.62Å; I698-L748 HydrophobicContact CG2-CD2 4.13Å
699L87.7Confident80.1Confident0 Ų032.7 Ų32.70%016%0.164CC..Hα-helixtrans-63.4-39.8174.7-69.7169.8000112.1I695 R696 G701 I702 L703 V707 A779 M782I695-L699 HydrophobicContact CG2-CD1 3.82Å; I695-L699 HydrophobicContact CG2-CG 4.33Å; I695-L699 WeakPolarHBondContact O-CB 3.43Å; I695-L699 VanDerWaalsContact O-CG 3.25Å; I695-L699 WeakPolarHBondContact O-CG 3.37Å; I695-L699 PolarHBondContact O-N 2.73Å; R696-L699 PolarHBondContact O-N 3.17Å; L699-G701 VanDerWaalsContact C-N 3.34Å; L699-I702 PolarHBondContact O-N 3.09Å; L699-L703 PolarHBondContact O-N 3.03Å; L699-V707 HydrophobicContact CB-CG2 4.08Å; L699-A779 HydrophobicContact CD1-CB 4.14Å; L699-M782 HydrophobicContact CB-CE 4.23Å; L699-M782 HydrophobicContact CD2-CE 3.73Å; L699-M782 HydrophobicContact CD2-SD 3.58Å; L699-M782 VanDerWaalsContact CD2-SD 3.58Å; L699-M782 WeakPolarHBondContact O-CE 3.34Å
700I86.1Confident80.9Confident62 Ų6227.8 Ų27.832%0.31814%0.141SC..Hα-helixtrans-61.4-42.3172-71.7163.8000110.3R696 L697 I702 L703 P704 V707R696-I700 HydrophobicContact CG-CD1 3.99Å; R696-I700 WeakPolarHBondContact O-CB 3.39Å; R696-I700 WeakPolarHBondContact O-CG1 3.49Å; R696-I700 PolarHBondContact O-N 3.28Å; L697-I700 PolarHBondContact O-N 3.45Å; I700-I702 PolarHBondContact O-N 3.1Å; I700-L703 CarbonylContact O-C 3.6Å; I700-P704 HydrophobicContact CG2-CB 4.28Å; I700-P704 WeakPolarHBondContact O-CA 3.33Å; I700-P704 VanDerWaalsContact O-CB 3.29Å; I700-P704 WeakPolarHBondContact O-CB 3.26Å; I700-P704 WeakPolarHBondContact O-CD 3.3Å; I700-V707 HydrophobicContact CD1-CG1 4.24Å; I700-V707 HydrophobicContact CG1-CB 3.74Å; I700-V707 HydrophobicContact CG1-CG1 3.59Å; I700-V707 HydrophobicContact CG1-CG2 4.17Å
701G81.8Confident80.9Confident3 Ų327.2 Ų27.23%0.03114%0.14CC..Hα-helixtrans-60.3-44.1175.900000112.9A610 E611 L697 I698 L699A610-G701 CarbonylContact C-O 3.34Å; A610-G701 CarbonylContact O-C 3.56Å; A610-G701 VanDerWaalsContact O-O 3.09Å; E611-G701 WeakPolarHBondContact CA-O 3.25Å; L697-G701 PolarHBondContact O-N 3.26Å; I698-G701 PolarHBondContact O-N 3.34Å; L699-G701 VanDerWaalsContact C-N 3.34Å
702I83.4Confident80.2Confident0 Ų030.3 Ų30.30%016%0.162CC..Hα-helixtrans-70.6-43.5-178-62.6167.4000112.1A610 G614 I698 L699 I700 A741 V744 L748 M782 L786A610-I702 HydrophobicContact CB-CG1 4.15Å; G614-I702 VanDerWaalsContact CA-O 3.22Å; G614-I702 WeakPolarHBondContact CA-O 3.24Å; I698-I702 HydrophobicContact CG2-CD1 4.12Å; I698-I702 WeakPolarHBondContact O-CG1 3.38Å; I698-I702 PolarHBondContact O-N 2.91Å; L699-I702 PolarHBondContact O-N 3.09Å; I700-I702 PolarHBondContact O-N 3.1Å; I702-A741 HydrophobicContact CG2-CB 4.44Å; I702-V744 HydrophobicContact CD1-CG1 3.9Å; I702-L748 HydrophobicContact CD1-CD1 4.07Å; I702-M782 HydrophobicContact CB-CE 3.89Å; I702-M782 HydrophobicContact CG2-CE 3.92Å; I702-M782 HydrophobicContact CG2-SD 4.35Å; I702-L786 HydrophobicContact CG2-CD1 4.49Å
703L82.3Confident79.2Confident6 Ų632.2 Ų32.23%0.03117%0.172CC..  trans-145.185.2175.3-70.5176.9000111.7I617 L699 I700 D705 F706 V707 M782 W785 L786I617-L703 HydrophobicContact CG2-CD2 4.47Å; L699-L703 PolarHBondContact O-N 3.03Å; I700-L703 CarbonylContact O-C 3.6Å; L703-D705 PolarHBondContact O-N 3.39Å; L703-F706 HydrophobicContact CB-CB 3.9Å; L703-F706 HydrophobicContact CB-CD1 4.43Å; L703-F706 HydrophobicContact CD1-CB 4.45Å; L703-F706 PolarHBondContact O-N 3.26Å; L703-V707 PolarHBondContact O-N 2.89Å; L703-M782 HydrophobicContact CB-CE 3.96Å; L703-M782 HydrophobicContact CD1-CE 4.3Å; L703-M782 HydrophobicContact CD1-CG 4.12Å; L703-M782 HydrophobicContact CG-CE 4.24Å; L703-W785 HydrophobicContact CD1-CB 4.04Å; L703-L786 HydrophobicContact CD1-CD2 3.75Å; L703-L786 HydrophobicContact CD1-CG 4Å; L703-L786 HydrophobicContact CD2-CD2 4.49Å; L703-L786 HydrophobicContact CG-CD2 4.19Å
704P79.3Confident77.9Confident50 Ų5031.3 Ų31.333%0.32517%0.167SC..Hα-helixtrans-65.7-45.6-176.323.1-30.7000111.3I700 F706 V707 E708I700-P704 HydrophobicContact CG2-CB 4.28Å; I700-P704 WeakPolarHBondContact O-CA 3.33Å; I700-P704 VanDerWaalsContact O-CB 3.29Å; I700-P704 WeakPolarHBondContact O-CB 3.26Å; I700-P704 WeakPolarHBondContact O-CD 3.3Å; P704-F706 PolarHBondContact O-N 3.17Å; P704-V707 PolarHBondContact O-N 2.63Å; P704-V707 VanDerWaalsContact O-N 3.15Å; P704-E708 PolarHBondContact O-N 2.89Å
705D74Confident76Confident40 Ų4040.6 Ų40.621%0.21420%0.203CC..Hα-helixtrans-50.9-23.1176.3-44.1-30.5000113.5K618 L703 F709 P733 R736K618-D705 WeakPolarHBondContact CE-OD2 3.41Å; K618-D705 IonicContact NZ-OD1 2.69Å; K618-D705 PolarHBondContact NZ-OD1 3.25Å; K618-D705 IonicContact NZ-OD2 3.27Å; K618-D705 PolarHBondContact NZ-OD2 3.17Å; L703-D705 PolarHBondContact O-N 3.39Å; D705-F709 WeakPolarHBondContact O-CB 3.42Å; D705-P733 HydrophobicContact CB-CB 3.79Å; D705-R736 IonicContact OD2-CZ 2.69Å; D705-R736 IonicContact OD2-NH2 3.88Å; D705-R736 PolarHBondContact OD2-NH2 3.12Å
706F77Confident73.7Confident1 Ų143.7 Ų43.70%0.00422%0.224CC..Hα-helixtrans-97.3-42.2-179.2161.5-103.9000113L703 P704 E708 F709 I710 P733 L781 M782 W785L703-F706 HydrophobicContact CB-CB 3.9Å; L703-F706 HydrophobicContact CB-CD1 4.43Å; L703-F706 HydrophobicContact CD1-CB 4.45Å; L703-F706 PolarHBondContact O-N 3.26Å; P704-F706 PolarHBondContact O-N 3.17Å; F706-E708 VanDerWaalsContact C-N 3.31Å; F706-E708 PolarHBondContact O-N 2.99Å; F706-F709 WeakPolarHBondContact O-CB 3.3Å; F706-F709 PolarHBondContact O-N 3.11Å; F706-I710 HydrophobicContact CD2-CG1 4.15Å; F706-I710 HydrophobicContact CE1-CG1 4.41Å; F706-I710 HydrophobicContact CE2-CD1 3.83Å; F706-I710 HydrophobicContact CE2-CG1 3.55Å; F706-I710 HydrophobicContact CZ-CD1 4.26Å; F706-I710 HydrophobicContact CZ-CG1 3.71Å; F706-I710 WeakPolarHBondContact O-CG1 3.38Å; F706-I710 PolarHBondContact O-N 2.92Å; F706-P733 HydrophobicContact CB-CG 4.24Å; F706-L781 HydrophobicContact CE2-CB 4.18Å; F706-L781 HydrophobicContact CZ-CB 3.75Å; F706-M782 HydrophobicContact CD1-CB 4.48Å; F706-M782 HydrophobicContact CD1-CE 4.48Å; F706-M782 HydrophobicContact CD1-CG 4.41Å; F706-M782 HydrophobicContact CE1-CB 3.78Å; F706-M782 HydrophobicContact CE1-CG 4.18Å; F706-M782 HydrophobicContact CZ-CB 4.31Å; F706-W785 AromaticContact CD2-CD2 3.84Å; F706-W785 HydrophobicContact CD2-CD2 3.84Å; F706-W785 AromaticContact CD2-CE2 3.82Å; F706-W785 AromaticContact CD2-CE3 3.92Å; F706-W785 HydrophobicContact CD2-CE3 3.92Å; F706-W785 HydrophobicContact CD2-CG 4.45Å; F706-W785 AromaticContact CD2-CH2 3.91Å; F706-W785 HydrophobicContact CD2-CH2 3.91Å; F706-W785 AromaticContact CD2-CZ2 3.8Å; F706-W785 HydrophobicContact CD2-CZ2 3.8Å; F706-W785 HydrophobicContact CD2-CZ3 4.01Å; F706-W785 HydrophobicContact CE2-CD2 4.01Å; F706-W785 AromaticContact CE2-CE3 3.6Å; F706-W785 HydrophobicContact CE2-CE3 3.6Å; F706-W785 AromaticContact CE2-CH2 3.46Å; F706-W785 HydrophobicContact CE2-CH2 3.46Å; F706-W785 VanDerWaalsContact CE2-CH2 3.46Å; F706-W785 AromaticContact CE2-CZ2 3.86Å; F706-W785 HydrophobicContact CE2-CZ2 3.86Å; F706-W785 AromaticContact CE2-CZ3 3.36Å; F706-W785 HydrophobicContact CE2-CZ3 3.36Å; F706-W785 HydrophobicContact CZ-CE3 4.29Å; F706-W785 HydrophobicContact CZ-CZ3 4.15Å
707V76.1Confident71.5Confident2 Ų244.9 Ų44.91%0.01223%0.232CC..Hα-helixtrans-70.8-31.4179.2-175.90000111.3L699 I700 L703 P704 I710 S711L699-V707 HydrophobicContact CB-CG2 4.08Å; I700-V707 HydrophobicContact CD1-CG1 4.24Å; I700-V707 HydrophobicContact CG1-CB 3.74Å; I700-V707 HydrophobicContact CG1-CG1 3.59Å; I700-V707 HydrophobicContact CG1-CG2 4.17Å; L703-V707 PolarHBondContact O-N 2.89Å; P704-V707 PolarHBondContact O-N 2.63Å; P704-V707 VanDerWaalsContact O-N 3.15Å; V707-I710 PolarHBondContact O-N 3.12Å; V707-S711 WeakPolarHBondContact O-CB 3.48Å; V707-S711 PolarHBondContact O-N 2.9Å; V707-S711 PolarHBondContact O-OG 3.46Å
708E74.8Confident69Low141 Ų14147 Ų4766%0.65925%0.253SS*.Hα-helixtrans-63.4-44.2168.6-173.8175.7-168.600111.5P704 F706 I710 S711 S712P704-E708 PolarHBondContact O-N 2.89Å; F706-E708 VanDerWaalsContact C-N 3.31Å; F706-E708 PolarHBondContact O-N 2.99Å; E708-I710 PolarHBondContact O-N 3.13Å; E708-S711 PolarHBondContact O-N 3.04Å; E708-S712 WeakPolarHBondContact O-CB 3.29Å; E708-S712 PolarHBondContact O-N 3.11Å; E708-S712 PolarHBondContact O-OG 2.7Å
709F73.2Confident66.3Low27 Ų2751.1 Ų51.112%0.11828%0.282CS..Hα-helixtrans-60.8-41175.3178.4-85.5000112.4D705 F706 S712 N713 L727 N731D705-F709 WeakPolarHBondContact O-CB 3.42Å; F706-F709 WeakPolarHBondContact O-CB 3.3Å; F706-F709 PolarHBondContact O-N 3.11Å; F709-S712 PolarHBondContact O-OG 2.97Å; F709-S712 VanDerWaalsContact O-OG 3.08Å; F709-N713 PolarHBondContact O-ND2 3.13Å; F709-L727 HydrophobicContact CE2-CD2 3.76Å; F709-L727 HydrophobicContact CZ-CD1 4.42Å; F709-L727 HydrophobicContact CZ-CD2 4.2Å; F709-N731 WeakPolarHBondContact CD2-O 3.19Å
710I73.8Confident63.6Low4 Ų456.9 Ų56.92%0.02131%0.307CS..Hα-helixtrans-67.9-43.7174.3-64.2-57.7000111.2F706 V707 E708 N713 E777 L781F706-I710 HydrophobicContact CD2-CG1 4.15Å; F706-I710 HydrophobicContact CE1-CG1 4.41Å; F706-I710 HydrophobicContact CE2-CD1 3.83Å; F706-I710 HydrophobicContact CE2-CG1 3.55Å; F706-I710 HydrophobicContact CZ-CD1 4.26Å; F706-I710 HydrophobicContact CZ-CG1 3.71Å; F706-I710 WeakPolarHBondContact O-CG1 3.38Å; F706-I710 PolarHBondContact O-N 2.92Å; V707-I710 PolarHBondContact O-N 3.12Å; E708-I710 PolarHBondContact O-N 3.13Å; I710-N713 PolarHBondContact O-N 3.49Å; I710-E777 HydrophobicContact CG2-CB 4.11Å; I710-L781 HydrophobicContact CD1-CD1 3.57Å; I710-L781 HydrophobicContact CG1-CD1 4.49Å
711S72.1Confident61.2Low26 Ų2660.8 Ų60.818%0.18232%0.319CS..Hα-helixtrans-65.2-42.2-177.8-58.60000112.7R696 V707 E708 N713 I714R696-S711 PolarHBondContact NH2-OG 2.98Å; V707-S711 WeakPolarHBondContact O-CB 3.48Å; V707-S711 PolarHBondContact O-N 2.9Å; V707-S711 PolarHBondContact O-OG 3.46Å; E708-S711 PolarHBondContact O-N 3.04Å; S711-N713 VanDerWaalsContact C-N 3.31Å; S711-N713 PolarHBondContact O-N 3.38Å; S711-I714 PolarHBondContact O-N 2.88Å
712S67.7Low58.5Low68 Ų6866.6 Ų66.648%0.47635%0.349SS..Hα-helixtrans-63.8-33.6178.453.60000113.3E708 F709 I714E708-S712 WeakPolarHBondContact O-CB 3.29Å; E708-S712 PolarHBondContact O-N 3.11Å; E708-S712 PolarHBondContact O-OG 2.7Å; F709-S712 PolarHBondContact O-OG 2.97Å; F709-S712 VanDerWaalsContact O-OG 3.08Å; S712-I714 PolarHBondContact O-N 3.09Å
713N60.9Low56Low45 Ų4574.8 Ų74.824%0.24139%0.393CS..THydrogen-bonded Turntrans-76.62.9178.6-79.3-66.8000114.6F709 I710 S711F709-N713 PolarHBondContact O-ND2 3.13Å; I710-N713 PolarHBondContact O-N 3.49Å; S711-N713 VanDerWaalsContact C-N 3.31Å; S711-N713 PolarHBondContact O-N 3.38Å
714I56.4Low53.4Low45 Ų4578.7 Ų78.723%0.23142%0.421CS..THydrogen-bonded Turntrans-87-34.3177.5-68170.7000111.9S711 S712 S716 Q717S711-I714 PolarHBondContact O-N 2.88Å; S712-I714 PolarHBondContact O-N 3.09Å; I714-S716 PolarHBondContact O-N 3.48Å; I714-S716 VanDerWaalsContact O-N 3.14Å; I714-Q717 WeakPolarHBondContact O-CG 3.19Å; I714-Q717 PolarHBondContact O-N 2.91Å
715Y42.3Very low51.3Low204 Ų20482.4 Ų82.480%0.844%0.443SS*.G310 helixtrans-71.1-9.9-173.3-72.8-79.7000115.1Q717Y715-Q717 VanDerWaalsContact C-N 3.3Å; Y715-Q717 PolarHBondContact O-N 2.67Å
716S39.2Very low49.4Very low65 Ų6589.3 Ų89.346%0.45547%0.474SS..G310 helixtrans-79.2-2.7179.3-46.40000114.8I714 S718I714-S716 PolarHBondContact O-N 3.48Å; I714-S716 VanDerWaalsContact O-N 3.14Å; S716-S718 VanDerWaalsContact C-N 3.29Å; S716-S718 PolarHBondContact O-N 3.27Å
717Q40.8Very low47.8Very low80 Ų8092.2 Ų92.237%0.37449%0.489SS..G310 helixtrans-70.9-12-165.9-72-166.52400116.3I714 Y715 F720 Q846I714-Q717 WeakPolarHBondContact O-CG 3.19Å; I714-Q717 PolarHBondContact O-N 2.91Å; Y715-Q717 VanDerWaalsContact C-N 3.3Å; Y715-Q717 PolarHBondContact O-N 2.67Å; Q717-F720 HydrophobicContact CG-CE2 4.17Å; Q717-Q846 VanDerWaalsContact CD-NE2 3.31Å
718S33.2Very low46.1Very low118 Ų11894.8 Ų94.883%0.82551%0.507SS*.G310 helixtrans-80.8-13.6-177.756.50000115.1S716S716-S718 VanDerWaalsContact C-N 3.29Å; S716-S718 PolarHBondContact O-N 3.27Å
719S30.2Very low44.7Very low86 Ų8694.3 Ų94.360%0.60151%0.508SS*.  trans-137.659.7-175.664.90000112.9Y721S719-Y721 PolarHBondContact O-N 2.75Å
720F32Very low43.4Very low121 Ų121101.6 Ų101.653%0.53154%0.543SS..THydrogen-bonded Turntrans-73.633.3-173.9-120.1-88.4000115.7Q717Q717-F720 HydrophobicContact CG-CE2 4.17Å
721Y34Very low42.4Very low144 Ų144106.5 Ų106.557%0.56557%0.569SS**THydrogen-bonded Turntrans-138.516.4-169-86.4-78.4000115.1S719 I903S719-Y721 PolarHBondContact O-N 2.75Å; Y721-I903 WeakPolarHBondContact OH-CD1 3.18Å; Y721-I903 WeakPolarHBondContact OH-CG2 3.19Å
722D27.1Very low41.6Very low126 Ų126106.2 Ų106.267%0.67457%0.567SS**  trans-122.9125173.6-150-33.3000111.8S724D722-S724 PolarHBondContact O-N 3.1Å; D722-S724 VanDerWaalsContact O-N 3.1Å
723D29Very low41.4Very low171 Ų171103.4 Ų103.491%0.91455%0.547SS*.THydrogen-bonded Turntrans-90.825.6-152.9-143.410.2000112.9
724S28.3Very low41.5Very low88 Ų88104.2 Ų104.262%0.61555%0.554SS**THydrogen-bonded Turntrans-127.7-0.4-154.3-58.40000116.1D722 Q726D722-S724 PolarHBondContact O-N 3.1Å; D722-S724 VanDerWaalsContact O-N 3.1Å; S724-Q726 VanDerWaalsContact C-N 3.27Å; S724-Q726 PolarHBondContact O-N 2.91Å
725T34.8Very low41.8Very low128 Ų128103.4 Ų103.479%0.78555%0.552SS**  trans-78.373.1178.739.20000112.2L727T725-L727 PolarHBondContact O-N 2.86Å
726Q35Very low42.9Very low185 Ų18594.7 Ų94.786%0.86452%0.517SS*.  trans-63.4101.1168.4-66.3-173.813.500109.9S724 S728S724-Q726 VanDerWaalsContact C-N 3.27Å; S724-Q726 PolarHBondContact O-N 2.91Å; Q726-S728 PolarHBondContact O-N 2.91Å
727L43Very low44.3Very low63 Ų6394.7 Ų94.733%0.3351%0.509SS..  trans-60.2102.5166.5-101156.7000108.7F709 T725 T853F709-L727 HydrophobicContact CE2-CD2 3.76Å; F709-L727 HydrophobicContact CZ-CD1 4.42Å; F709-L727 HydrophobicContact CZ-CD2 4.2Å; T725-L727 PolarHBondContact O-N 2.86Å; L727-T853 HydrophobicContact CD1-CG2 3.58Å
728S40.4Very low46Very low55 Ų5591.2 Ų91.239%0.38549%0.494SS..  trans-64.4139.4-174.9600000110.7Q726 Q730 N731Q726-S728 PolarHBondContact O-N 2.91Å; S728-Q730 PolarHBondContact O-N 2.98Å; S728-N731 PolarHBondContact O-N 3.33Å
729L44.8Very low48.2Very low131 Ų13187.9 Ų87.969%0.68647%0.47SS*.G310 helixtrans-56.6-19.7-174.9-140.484.7000113.7S857L729-S857 WeakPolarHBondContact CD1-O 3.48Å
730Q46.9Very low50.6Low180 Ų18084.5 Ų84.584%0.84145%0.445SS*.G310 helixtrans-72.6-22.8179.9-67.8174.8-44.100113.6S728S728-Q730 PolarHBondContact O-N 2.98Å
731N52.9Low53.1Low107 Ų10778.8 Ų78.857%0.57242%0.42SS*.G310 helixtrans-99.31.5-172.4-70.314.2000114F709 S728F709-N731 WeakPolarHBondContact CD2-O 3.19Å; S728-N731 PolarHBondContact O-N 3.33Å
732C54.9Low55.5Low20 Ų2072.2 Ų72.214%0.13539%0.394CS..SBendtrans-91.1121.2179.9-157.70000110.5S857 Y858C732-S857 PolarHBondContact SG-OG 3.48Å; C732-Y858 VanDerWaalsContact SG-CZ 3.51Å; C732-Y858 PolarHBondContact SG-OH 3.09Å; C732-Y858 VanDerWaalsContact SG-OH 3.34Å
733P62.7Low58.4Low10 Ų1068 Ų687%0.06537%0.369CS..PPolyproline II helixtrans-65.5144-17524.3-32.8000111.9D705 F706 V735 Y858D705-P733 HydrophobicContact CB-CB 3.79Å; F706-P733 HydrophobicContact CB-CG 4.24Å; P733-V735 PolarHBondContact O-N 2.72Å; P733-Y858 PolarHBondContact O-OH 3.09Å
734P63.4Low61.1Low61 Ų6159.9 Ų59.940%0.39633%0.325SS..PPolyproline II helixtrans-66.9135.3-179.826.8-33.8000110.7R736P734-R736 WeakPolarHBondContact O-CG 3.46Å; P734-R736 PolarHBondContact O-NE 3.1Å
735V62.6Low64.1Low28 Ų2855.7 Ų55.717%0.1730%0.296CS..PPolyproline II helixtrans-74.4138.1177.6-177.70000110.5P733 W785 Y858 N865P733-V735 PolarHBondContact O-N 2.72Å; V735-W785 WeakPolarHBondContact CG1-O 3.49Å; V735-Y858 HydrophobicContact CG2-CE1 4.32Å; V735-Y858 HydrophobicContact CG2-CE2 4.12Å; V735-Y858 WeakPolarHBondContact CG2-OH 3.4Å; V735-N865 HydrophobicContact CB-CB 4.49Å; V735-N865 WeakPolarHBondContact CB-O 3.41Å; V735-N865 WeakPolarHBondContact CG1-O 3.34Å; V735-N865 HydrophobicContact CG2-CB 4.13Å
736R66Low66.8Low21 Ų2150.2 Ų50.28%0.07926%0.263CS..  trans-135.8119.7-169.1-57169.7-159.1173.96.7109.8I617 D705 P734 S738 W785 L786I617-R736 HydrophobicContact CG2-CB 4.03Å; I617-R736 HydrophobicContact CG2-CG 4.31Å; I617-R736 WeakPolarHBondContact O-CD 3.43Å; D705-R736 IonicContact OD2-CZ 2.69Å; D705-R736 IonicContact OD2-NH2 3.88Å; D705-R736 PolarHBondContact OD2-NH2 3.12Å; P734-R736 WeakPolarHBondContact O-CG 3.46Å; P734-R736 PolarHBondContact O-NE 3.1Å; R736-S738 PolarHBondContact O-N 3.09Å; R736-W785 PolarHBondContact N-O 2.85Å; R736-L786 CarbonylContact O-C 3.55Å; R736-L786 VanDerWaalsContact O-CA 3.28Å; R736-L786 WeakPolarHBondContact O-CA 3.5Å; R736-L786 VanDerWaalsContact O-O 3.11Å
737F69.3Low69.3Low65 Ų6542.7 Ų42.729%0.28523%0.23SC..  trans-72.7120.2173.2-176.8-103.6000110.2P739 L786 Q807 L809F737-P739 HydrophobicContact CE1-CG 4.19Å; F737-P739 HydrophobicContact CZ-CB 4.48Å; F737-P739 HydrophobicContact CZ-CG 4.47Å; F737-L786 WeakPolarHBondContact CA-O 3.1Å; F737-Q807 HydrophobicContact CD1-CB 4.12Å; F737-Q807 HydrophobicContact CE1-CB 3.52Å; F737-Q807 HydrophobicContact CZ-CB 4.26Å; F737-L809 HydrophobicContact CE2-CB 4.05Å; F737-L809 HydrophobicContact CE2-CD1 3.8Å; F737-L809 HydrophobicContact CZ-CD1 4.3Å
738S76.4Confident71.5Confident8 Ų839.7 Ų39.76%0.05621%0.214CC..  trans-148.3103.7172.2-179.40000111.2R736 D740 A741 L742 L786R736-S738 PolarHBondContact O-N 3.09Å; S738-D740 VanDerWaalsContact C-N 3.34Å; S738-A741 PolarHBondContact O-N 2.74Å; S738-A741 WeakPolarHBondContact OG-CB 3.47Å; S738-A741 PolarHBondContact OG-N 3.23Å; S738-L742 PolarHBondContact O-N 3.2Å; S738-L786 PolarHBondContact N-O 2.83Å
739P78.1Confident73.9Confident48 Ų4837.1 Ų37.131%0.31220%0.196SC..Hα-helixtrans-69.3-33.2-179.628.4-33.2000111.8F737 L742 R743F737-P739 HydrophobicContact CE1-CG 4.19Å; F737-P739 HydrophobicContact CZ-CB 4.48Å; F737-P739 HydrophobicContact CZ-CG 4.47Å; P739-L742 WeakPolarHBondContact O-CB 3.44Å; P739-L742 PolarHBondContact O-N 2.81Å; P739-R743 PolarHBondContact O-N 2.74Å
740D80.9Confident76Confident15 Ų1533.6 Ų33.68%0.0818%0.178CC..Hα-helixtrans-69.1-38.1175.8-72.7-67.1000112.4H655 W657 S738 L742 R743 V744H655-D740 IonicContact CE1-OD1 3.11Å; H655-D740 IonicContact CG-OD1 2.76Å; H655-D740 IonicContact ND1-OD1 3.12Å; H655-D740 PolarHBondContact ND1-OD1 3.49Å; H655-D740 IonicContact ND1-OD2 3.85Å; W657-D740 HydrophobicContact CE3-CB 4.47Å; W657-D740 HydrophobicContact CZ3-CB 4.47Å; S738-D740 VanDerWaalsContact C-N 3.34Å; D740-L742 VanDerWaalsContact C-N 3.26Å; D740-L742 PolarHBondContact O-N 2.66Å; D740-R743 WeakPolarHBondContact O-CB 3.29Å; D740-R743 PolarHBondContact O-N 2.99Å; D740-R743 VanDerWaalsContact O-N 3.14Å; D740-R743 IonicContact OD1-CZ 2.63Å; D740-R743 IonicContact OD1-NE 2.57Å; D740-R743 PolarHBondContact OD1-NE 2.87Å; D740-R743 IonicContact OD1-NH2 2.8Å; D740-R743 PolarHBondContact OD1-NH2 2.72Å; D740-V744 WeakPolarHBondContact O-CG2 3.49Å; D740-V744 PolarHBondContact O-N 2.97Å
741A83.8Confident77.9Confident0 Ų027.2 Ų27.20%015%0.146CC..Hα-helixtrans-64.7-32.2172.800000112.1I617 W657 I702 S738 V744 W745 L786I617-A741 HydrophobicContact CD1-CB 3.9Å; W657-A741 HydrophobicContact CH2-CB 4.31Å; W657-A741 HydrophobicContact CZ3-CB 4.23Å; I702-A741 HydrophobicContact CG2-CB 4.44Å; S738-A741 PolarHBondContact O-N 2.74Å; S738-A741 WeakPolarHBondContact OG-CB 3.47Å; S738-A741 PolarHBondContact OG-N 3.23Å; A741-V744 PolarHBondContact O-N 2.74Å; A741-W745 VanDerWaalsContact O-CB 3.3Å; A741-W745 WeakPolarHBondContact O-CB 3.5Å; A741-W745 PolarHBondContact O-N 2.94Å; A741-L786 HydrophobicContact CB-CD1 3.95Å; A741-L786 HydrophobicContact CB-CD2 3.87Å; A741-L786 HydrophobicContact CB-CG 4.48Å
742L85.7Confident79.6Confident7 Ų722.1 Ų22.14%0.03712%0.119CC..Hα-helixtrans-70.3-34.3172.1-71.4168.4000112.7S738 P739 D740 S746 P783 L786 A787 L809 I817S738-L742 PolarHBondContact O-N 3.2Å; P739-L742 WeakPolarHBondContact O-CB 3.44Å; P739-L742 PolarHBondContact O-N 2.81Å; D740-L742 VanDerWaalsContact C-N 3.26Å; D740-L742 PolarHBondContact O-N 2.66Å; L742-S746 WeakPolarHBondContact O-CB 3.24Å; L742-S746 PolarHBondContact O-N 2.74Å; L742-P783 HydrophobicContact CD2-CB 4.17Å; L742-L786 HydrophobicContact CD1-CB 4.38Å; L742-L786 HydrophobicContact CD2-CB 3.52Å; L742-L786 HydrophobicContact CD2-CD1 4.19Å; L742-L786 HydrophobicContact CG-CB 3.76Å; L742-A787 HydrophobicContact CD1-CB 4.2Å; L742-L809 HydrophobicContact CD1-CD1 3.5Å; L742-I817 HydrophobicContact CB-CD1 4.14Å; L742-I817 HydrophobicContact CD1-CD1 3.75Å; L742-I817 HydrophobicContact CD2-CD1 3.98Å; L742-I817 HydrophobicContact CG-CD1 4.16Å
743R86.8Confident81.2Confident37 Ų3722 Ų2214%0.1412%0.117CC..Hα-helixtrans-62.6-46.5170.5-174.1176.949.8134.9-7.2110.8H655 T659 I662 P739 D740 S746 V747 L1924H655-R743 PolarHBondContact CE1-NH2 2.92Å; H655-R743 PolarHBondContact ND1-NH2 3.13Å; H655-R743 VanDerWaalsContact ND1-NH2 3.19Å; H655-R743 PolarHBondContact O-NH2 3.46Å; T659-R743 PolarHBondContact OG1-NH1 2.8Å; T659-R743 PolarHBondContact OG1-NH2 3.19Å; T659-R743 VanDerWaalsContact OG1-NH2 3.17Å; I662-R743 HydrophobicContact CD1-CG 3.78Å; P739-R743 PolarHBondContact O-N 2.74Å; D740-R743 WeakPolarHBondContact O-CB 3.29Å; D740-R743 PolarHBondContact O-N 2.99Å; D740-R743 VanDerWaalsContact O-N 3.14Å; D740-R743 IonicContact OD1-CZ 2.63Å; D740-R743 IonicContact OD1-NE 2.57Å; D740-R743 PolarHBondContact OD1-NE 2.87Å; D740-R743 IonicContact OD1-NH2 2.8Å; D740-R743 PolarHBondContact OD1-NH2 2.72Å; R743-S746 PolarHBondContact O-N 2.79Å; R743-S746 PolarHBondContact O-OG 3.32Å; R743-V747 PolarHBondContact O-N 3.04Å; R743-L1924 HydrophobicContact CG-CD2 4.09Å
744V87.5Confident82.3Confident0 Ų025.1 Ų25.10%013%0.133CC..Hα-helixtrans-62.5-47.8175.7178.70000111.6W657 I661 I662 I665 I702 D740 A741 S746 V747 L748W657-V744 HydrophobicContact CH2-CG2 4.18Å; W657-V744 HydrophobicContact CZ3-CG2 4.19Å; I661-V744 HydrophobicContact CD1-CG1 4.45Å; I661-V744 HydrophobicContact CG2-CB 4.29Å; I661-V744 HydrophobicContact CG2-CG1 3.89Å; I661-V744 HydrophobicContact CG2-CG2 3.32Å; I662-V744 HydrophobicContact CD1-CG2 4.39Å; I662-V744 HydrophobicContact CG1-CG2 4.25Å; I665-V744 HydrophobicContact CD1-CG1 4.11Å; I702-V744 HydrophobicContact CD1-CG1 3.9Å; D740-V744 WeakPolarHBondContact O-CG2 3.49Å; D740-V744 PolarHBondContact O-N 2.97Å; A741-V744 PolarHBondContact O-N 2.74Å; V744-S746 VanDerWaalsContact C-N 3.26Å; V744-S746 PolarHBondContact O-N 3.31Å; V744-V747 PolarHBondContact O-N 3.2Å; V744-L748 HydrophobicContact CG1-CD1 4.15Å; V744-L748 WeakPolarHBondContact O-CG 3.43Å; V744-L748 PolarHBondContact O-N 3.17Å; V744-L748 VanDerWaalsContact O-N 3.17Å
745W91.1Very high83.3Confident0 Ų022.8 Ų22.80%012%0.117CC..Hα-helixtrans-54.4-42.9173.217190.4000111.5A741 V747 L748 I749 A779 P783 I817 R820 Q821A741-W745 VanDerWaalsContact O-CB 3.3Å; A741-W745 WeakPolarHBondContact O-CB 3.5Å; A741-W745 PolarHBondContact O-N 2.94Å; W745-V747 PolarHBondContact O-N 3.41Å; W745-L748 PolarHBondContact O-N 3.39Å; W745-I749 HydrophobicContact CD2-CG1 3.77Å; W745-I749 HydrophobicContact CE3-CG1 4.37Å; W745-I749 HydrophobicContact CG-CG1 4.21Å; W745-I749 HydrophobicContact CH2-CB 4.42Å; W745-I749 HydrophobicContact CH2-CG1 3.99Å; W745-I749 HydrophobicContact CH2-CG2 4.36Å; W745-I749 HydrophobicContact CZ2-CB 4.25Å; W745-I749 HydrophobicContact CZ2-CD1 4.42Å; W745-I749 HydrophobicContact CZ2-CG1 3.37Å; W745-I749 HydrophobicContact CZ2-CG2 4.36Å; W745-I749 HydrophobicContact CZ3-CG1 4.46Å; W745-I749 WeakPolarHBondContact O-CG1 3.41Å; W745-I749 PolarHBondContact O-N 3.04Å; W745-A779 PolarHBondContact NE1-O 3.02Å; W745-P783 HydrophobicContact CD2-CG 3.81Å; W745-P783 HydrophobicContact CE3-CG 4.25Å; W745-P783 HydrophobicContact CG-CG 4.49Å; W745-P783 HydrophobicContact CH2-CG 3.85Å; W745-P783 HydrophobicContact CZ2-CG 3.29Å; W745-P783 HydrophobicContact CZ3-CG 4.28Å; W745-I817 HydrophobicContact CH2-CG2 4.07Å; W745-I817 HydrophobicContact CZ3-CB 4.39Å; W745-I817 HydrophobicContact CZ3-CG1 4.42Å; W745-I817 HydrophobicContact CZ3-CG2 3.83Å; W745-R820 HydrophobicContact CH2-CB 3.92Å; W745-R820 HydrophobicContact CZ3-CB 4.05Å; W745-Q821 HydrophobicContact CH2-CG 3.63Å; W745-Q821 HydrophobicContact CZ2-CG 3.76Å
746S90.2Very high84.3Confident13 Ų1321.4 Ų21.49%0.09111%0.109CC..Hα-helixtrans-62.2-40.6-177.674.90000113L742 R743 V744 I749 D750L742-S746 WeakPolarHBondContact O-CB 3.24Å; L742-S746 PolarHBondContact O-N 2.74Å; R743-S746 PolarHBondContact O-N 2.79Å; R743-S746 PolarHBondContact O-OG 3.32Å; V744-S746 VanDerWaalsContact C-N 3.26Å; V744-S746 PolarHBondContact O-N 3.31Å; S746-I749 PolarHBondContact O-N 2.97Å; S746-D750 WeakPolarHBondContact O-CB 3.5Å; S746-D750 PolarHBondContact O-N 3.21Å
747V88.8Confident85.2Confident28 Ų2824 Ų2417%0.1712%0.124CC..Hα-helixtrans-65.7-45.71751780000110.9I662 I665 R743 V744 W745 I749 D750 R751I662-V747 HydrophobicContact CD1-CG2 3.92Å; I662-V747 HydrophobicContact CG1-CG2 4.04Å; I662-V747 HydrophobicContact CG2-CG2 4.2Å; I665-V747 HydrophobicContact CG2-CG1 4.02Å; R743-V747 PolarHBondContact O-N 3.04Å; V744-V747 PolarHBondContact O-N 3.2Å; W745-V747 PolarHBondContact O-N 3.41Å; V747-I749 VanDerWaalsContact C-N 3.27Å; V747-I749 PolarHBondContact O-N 3.11Å; V747-D750 PolarHBondContact O-N 3.34Å; V747-R751 WeakPolarHBondContact O-CG 3.45Å; V747-R751 PolarHBondContact O-N 2.98Å
748L89.2Confident85.7Confident0 Ų023.6 Ų23.60%012%0.124CC..Hα-helixtrans-59.4-38.1177.1-67.7167.1000112.1I665 I695 I698 I702 V744 W745 L752I665-L748 HydrophobicContact CD1-CD1 4.48Å; I665-L748 HydrophobicContact CD1-CD2 3.68Å; I665-L748 HydrophobicContact CD1-CG 3.96Å; I665-L748 HydrophobicContact CG1-CD2 4.11Å; I665-L748 HydrophobicContact CG2-CD2 4.37Å; I695-L748 HydrophobicContact CD1-CD2 3.84Å; I698-L748 HydrophobicContact CD1-CD2 4.19Å; I698-L748 HydrophobicContact CG2-CD1 3.62Å; I698-L748 HydrophobicContact CG2-CD2 4.13Å; I702-L748 HydrophobicContact CD1-CD1 4.07Å; V744-L748 HydrophobicContact CG1-CD1 4.15Å; V744-L748 WeakPolarHBondContact O-CG 3.43Å; V744-L748 PolarHBondContact O-N 3.17Å; V744-L748 VanDerWaalsContact O-N 3.17Å; W745-L748 PolarHBondContact O-N 3.39Å; L748-L752 VanDerWaalsContact O-CB 3.31Å; L748-L752 WeakPolarHBondContact O-CB 3.28Å; L748-L752 PolarHBondContact O-N 2.74Å
749I89.6Confident85.7Confident0 Ų025.2 Ų25.20%013%0.131CC..Hα-helixtrans-74.4-37.6178.6-67.1-20.6000112W745 S746 V747 R751 L752 T753 A779 R820 L824W745-I749 HydrophobicContact CD2-CG1 3.77Å; W745-I749 HydrophobicContact CE3-CG1 4.37Å; W745-I749 HydrophobicContact CG-CG1 4.21Å; W745-I749 HydrophobicContact CH2-CB 4.42Å; W745-I749 HydrophobicContact CH2-CG1 3.99Å; W745-I749 HydrophobicContact CH2-CG2 4.36Å; W745-I749 HydrophobicContact CZ2-CB 4.25Å; W745-I749 HydrophobicContact CZ2-CD1 4.42Å; W745-I749 HydrophobicContact CZ2-CG1 3.37Å; W745-I749 HydrophobicContact CZ2-CG2 4.36Å; W745-I749 HydrophobicContact CZ3-CG1 4.46Å; W745-I749 WeakPolarHBondContact O-CG1 3.41Å; W745-I749 PolarHBondContact O-N 3.04Å; S746-I749 PolarHBondContact O-N 2.97Å; V747-I749 VanDerWaalsContact C-N 3.27Å; V747-I749 PolarHBondContact O-N 3.11Å; I749-R751 VanDerWaalsContact C-N 3.29Å; I749-R751 PolarHBondContact O-N 3.02Å; I749-L752 HydrophobicContact CD1-CD2 4.32Å; I749-L752 PolarHBondContact O-N 3.49Å; I749-T753 VanDerWaalsContact O-CB 3.31Å; I749-T753 WeakPolarHBondContact O-CB 3.28Å; I749-T753 PolarHBondContact O-N 2.89Å; I749-T753 PolarHBondContact O-OG1 3.21Å; I749-A779 HydrophobicContact CD1-CB 3.71Å; I749-R820 HydrophobicContact CG2-CB 4.35Å; I749-L824 HydrophobicContact CD1-CD2 4.06Å; I749-L824 HydrophobicContact CG1-CD2 4.26Å; I749-L824 HydrophobicContact CG2-CB 3.85Å; I749-L824 HydrophobicContact CG2-CD2 3.94Å; I749-L824 HydrophobicContact CG2-CG 4.35Å
750D88.7Confident85.6Confident57 Ų5728.6 Ų28.631%0.30514%0.143SC..Hα-helixtrans-63.9-37.6174.8-67.1-19.4000110.1S746 V747 L754 R820S746-D750 WeakPolarHBondContact O-CB 3.5Å; S746-D750 PolarHBondContact O-N 3.21Å; V747-D750 PolarHBondContact O-N 3.34Å; D750-L754 WeakPolarHBondContact O-CG 3.19Å; D750-L754 PolarHBondContact O-N 2.69Å; D750-R820 VanDerWaalsContact CG-NE 3.31Å; D750-R820 WeakPolarHBondContact OD1-CD 3.47Å; D750-R820 IonicContact OD1-NE 2.66Å; D750-R820 PolarHBondContact OD1-NE 2.99Å; D750-R820 IonicContact OD2-CZ 2.77Å; D750-R820 VanDerWaalsContact OD2-CZ 3.3Å; D750-R820 IonicContact OD2-NE 2.73Å; D750-R820 PolarHBondContact OD2-NE 2.77Å; D750-R820 IonicContact OD2-NH2 2.63Å; D750-R820 PolarHBondContact OD2-NH2 2.64Å
751R86.7Confident85.2Confident47 Ų4731.6 Ų31.618%0.17715%0.153CC..Hα-helixtrans-67.5-46.4169.8-58-50.3-175.4174.60.7113D666 L671 L673 V747 I749 T753 L754 F755D666-R751 IonicContact OD1-CZ 2.82Å; D666-R751 IonicContact OD1-NE 3.55Å; D666-R751 IonicContact OD1-NH2 3.05Å; D666-R751 PolarHBondContact OD1-NH2 3.15Å; L671-R751 WeakPolarHBondContact O-CD 3.38Å; L673-R751 HydrophobicContact CD1-CB 4.48Å; L673-R751 WeakPolarHBondContact CD1-O 3.21Å; V747-R751 WeakPolarHBondContact O-CG 3.45Å; V747-R751 PolarHBondContact O-N 2.98Å; I749-R751 VanDerWaalsContact C-N 3.29Å; I749-R751 PolarHBondContact O-N 3.02Å; R751-T753 VanDerWaalsContact C-N 3.34Å; R751-T753 PolarHBondContact O-N 2.89Å; R751-L754 PolarHBondContact O-N 3.35Å; R751-F755 PolarHBondContact O-N 3.47Å
752L88.6Confident84.7Confident0 Ų032 Ų320%016%0.155CC..Hα-helixtrans-63.6-37.8-179.5178.762.2000112.4F691 L692 L748 I749 F755 I756 A779 L824F691-L752 HydrophobicContact CE1-CD1 4.06Å; L692-L752 HydrophobicContact CD2-CD1 3.38Å; L748-L752 VanDerWaalsContact O-CB 3.31Å; L748-L752 WeakPolarHBondContact O-CB 3.28Å; L748-L752 PolarHBondContact O-N 2.74Å; I749-L752 HydrophobicContact CD1-CD2 4.32Å; I749-L752 PolarHBondContact O-N 3.49Å; L752-F755 PolarHBondContact O-N 2.99Å; L752-I756 HydrophobicContact CD1-CD1 4.15Å; L752-I756 HydrophobicContact CD1-CG1 4.37Å; L752-I756 HydrophobicContact CG-CD1 4.07Å; L752-I756 WeakPolarHBondContact O-CG1 3.35Å; L752-I756 PolarHBondContact O-N 3.38Å; L752-A779 HydrophobicContact CD2-CB 3.71Å; L752-L824 HydrophobicContact CB-CD1 4.37Å; L752-L824 HydrophobicContact CD2-CD1 3.76Å; L752-L824 HydrophobicContact CD2-CD2 4.17Å; L752-L824 HydrophobicContact CG-CD1 3.77Å
753T88.4Confident84Confident17 Ų1732.6 Ų32.610%0.10416%0.16CC..Hα-helixtrans-66.1-41.2177.2-530000110.8I749 R751 L757 N823 A827I749-T753 VanDerWaalsContact O-CB 3.31Å; I749-T753 WeakPolarHBondContact O-CB 3.28Å; I749-T753 PolarHBondContact O-N 2.89Å; I749-T753 PolarHBondContact O-OG1 3.21Å; R751-T753 VanDerWaalsContact C-N 3.34Å; R751-T753 PolarHBondContact O-N 2.89Å; T753-L757 HydrophobicContact CG2-CD1 4.12Å; T753-L757 WeakPolarHBondContact O-CB 3.4Å; T753-L757 VanDerWaalsContact O-CG 3.27Å; T753-L757 WeakPolarHBondContact O-CG 3.37Å; T753-L757 PolarHBondContact O-N 3.18Å; T753-L757 VanDerWaalsContact O-N 3.16Å; T753-N823 HydrophobicContact CG2-CB 4.45Å; T753-A827 HydrophobicContact CG2-CB 4.02Å
754L86.1Confident82.8Confident75 Ų7532.7 Ų32.739%0.39316%0.162SC..Hα-helixtrans-62.7-44.3172.7-72.6169.3000111.9L673 D750 R751 I756 L757 D758L673-L754 HydrophobicContact CD1-CB 3.87Å; D750-L754 WeakPolarHBondContact O-CG 3.19Å; D750-L754 PolarHBondContact O-N 2.69Å; R751-L754 PolarHBondContact O-N 3.35Å; L754-I756 PolarHBondContact O-N 3.37Å; L754-L757 PolarHBondContact O-N 2.94Å; L754-D758 WeakPolarHBondContact O-CB 3.12Å; L754-D758 PolarHBondContact O-N 3.19Å
755F84.5Confident81.5Confident12 Ų1235.9 Ų35.95%0.05318%0.179CC..Hα-helixtrans-58-47.5177.2177.8-94.9000112.3L673 L683 F691 L692 R751 L752 L757 D758 E759 R761L673-F755 HydrophobicContact CD1-CB 3.98Å; L683-F755 HydrophobicContact CD1-CE2 4.27Å; F691-F755 HydrophobicContact CB-CD2 4.16Å; F691-F755 HydrophobicContact CB-CE2 3.67Å; F691-F755 HydrophobicContact CB-CZ 3.98Å; F691-F755 HydrophobicContact CD1-CB 4.09Å; F691-F755 AromaticContact CD1-CD1 3.74Å; F691-F755 HydrophobicContact CD1-CD1 3.74Å; F691-F755 AromaticContact CD1-CD2 3.55Å; F691-F755 HydrophobicContact CD1-CD2 3.55Å; F691-F755 HydrophobicContact CD1-CE1 4.01Å; F691-F755 AromaticContact CD1-CE2 3.82Å; F691-F755 HydrophobicContact CD1-CE2 3.82Å; F691-F755 AromaticContact CD1-CG 3.51Å; F691-F755 HydrophobicContact CD1-CG 3.51Å; F691-F755 HydrophobicContact CD1-CZ 4.04Å; F691-F755 AromaticContact CD2-CD2 3.71Å; F691-F755 HydrophobicContact CD2-CD2 3.71Å; F691-F755 HydrophobicContact CD2-CE2 4.06Å; F691-F755 HydrophobicContact CD2-CG 4.35Å; F691-F755 HydrophobicContact CE1-CB 3.48Å; F691-F755 VanDerWaalsContact CE1-CB 3.48Å; F691-F755 AromaticContact CE1-CD1 3.89Å; F691-F755 HydrophobicContact CE1-CD1 3.89Å; F691-F755 AromaticContact CE1-CD2 3.82Å; F691-F755 HydrophobicContact CE1-CD2 3.82Å; F691-F755 AromaticContact CE1-CG 3.45Å; F691-F755 HydrophobicContact CE1-CG 3.45Å; F691-F755 VanDerWaalsContact CE1-CG 3.45Å; F691-F755 HydrophobicContact CE2-CB 4.2Å; F691-F755 AromaticContact CE2-CD2 3.94Å; F691-F755 HydrophobicContact CE2-CD2 3.94Å; F691-F755 HydrophobicContact CE2-CG 4.27Å; F691-F755 HydrophobicContact CG-CD1 4.47Å; F691-F755 AromaticContact CG-CD2 3.52Å; F691-F755 HydrophobicContact CG-CD2 3.52Å; F691-F755 AromaticContact CG-CE2 3.57Å; F691-F755 HydrophobicContact CG-CE2 3.57Å; F691-F755 AromaticContact CG-CG 4Å; F691-F755 HydrophobicContact CG-CG 4Å; F691-F755 HydrophobicContact CG-CZ 4.1Å; F691-F755 HydrophobicContact CZ-CB 3.55Å; F691-F755 HydrophobicContact CZ-CD2 4.01Å; F691-F755 AromaticContact CZ-CG 3.86Å; F691-F755 HydrophobicContact CZ-CG 3.86Å; L692-F755 HydrophobicContact CD1-CE1 4.17Å; L692-F755 HydrophobicContact CD2-CD1 4.17Å; L692-F755 HydrophobicContact CD2-CE1 4.05Å; L692-F755 HydrophobicContact CG-CE1 3.97Å; R751-F755 PolarHBondContact O-N 3.47Å; L752-F755 PolarHBondContact O-N 2.99Å; F755-L757 VanDerWaalsContact C-N 3.31Å; F755-L757 PolarHBondContact O-N 3.14Å; F755-D758 PolarHBondContact O-N 3.38Å; F755-E759 HydrophobicContact CD2-CB 4.47Å; F755-E759 HydrophobicContact CD2-CG 3.93Å; F755-E759 HydrophobicContact CE2-CB 4.23Å; F755-E759 HydrophobicContact CE2-CG 3.73Å; F755-E759 HydrophobicContact CZ-CB 4.28Å; F755-E759 HydrophobicContact CZ-CG 4.26Å; F755-E759 WeakPolarHBondContact O-CB 3.38Å; F755-E759 PolarHBondContact O-N 3.03Å; F755-R761 HydrophobicContact CE1-CB 4.06Å; F755-R761 HydrophobicContact CZ-CB 4.34Å
756I84.7Confident79.6Confident0 Ų043.2 Ų43.20%021%0.213CC..Hα-helixtrans-62.4-40.1179.5-67.5167.8000111L752 L754 H760 V762 L824 A827 F828 E831L752-I756 HydrophobicContact CD1-CD1 4.15Å; L752-I756 HydrophobicContact CD1-CG1 4.37Å; L752-I756 HydrophobicContact CG-CD1 4.07Å; L752-I756 WeakPolarHBondContact O-CG1 3.35Å; L752-I756 PolarHBondContact O-N 3.38Å; L754-I756 PolarHBondContact O-N 3.37Å; I756-H760 WeakPolarHBondContact O-CA 3.2Å; I756-H760 PolarHBondContact O-N 3.12Å; I756-V762 HydrophobicContact CG2-CG1 4.1Å; I756-L824 HydrophobicContact CD1-CD1 3.81Å; I756-A827 HydrophobicContact CB-CB 4.37Å; I756-A827 HydrophobicContact CG2-CB 3.93Å; I756-F828 HydrophobicContact CD1-CB 4.49Å; I756-E831 HydrophobicContact CG2-CB 4.31Å; I756-E831 HydrophobicContact CG2-CG 3.6Å
757L84.4Confident77.8Confident76 Ų7645.1 Ų45.140%0.39823%0.227SC..Hα-helixtrans-75.5-27.1-179.7-69.8172.4000114.6T753 L754 F755 A827T753-L757 HydrophobicContact CG2-CD1 4.12Å; T753-L757 WeakPolarHBondContact O-CB 3.4Å; T753-L757 VanDerWaalsContact O-CG 3.27Å; T753-L757 WeakPolarHBondContact O-CG 3.37Å; T753-L757 PolarHBondContact O-N 3.18Å; T753-L757 VanDerWaalsContact O-N 3.16Å; L754-L757 PolarHBondContact O-N 2.94Å; F755-L757 VanDerWaalsContact C-N 3.31Å; F755-L757 PolarHBondContact O-N 3.14Å; L757-A827 HydrophobicContact CD1-CB 4.41Å; L757-A827 HydrophobicContact CD2-CB 3.77Å; L757-A827 HydrophobicContact CG-CB 3.82Å
758D80.4Confident76Confident55 Ų5549.1 Ų49.129%0.29425%0.252SS..Hα-helixtrans-92.9-40.3-179.3-80.9-23.5000113.1K676 L754 F755K676-D758 WeakPolarHBondContact CE-OD2 3.42Å; K676-D758 IonicContact NZ-OD1 3.32Å; K676-D758 PolarHBondContact NZ-OD1 2.95Å; K676-D758 IonicContact NZ-OD2 3.56Å; K676-D758 PolarHBondContact NZ-OD2 2.9Å; L754-D758 WeakPolarHBondContact O-CB 3.12Å; L754-D758 PolarHBondContact O-N 3.19Å; F755-D758 PolarHBondContact O-N 3.38Å
759E75.2Confident74.2Confident42 Ų4254.1 Ų54.120%0.19628%0.282CS..Hα-helixtrans-94.8-13.4-176-69.4-57.7119.200114.2M680 F755 R761M680-E759 VanDerWaalsContact CE-CD 3.48Å; M680-E759 WeakPolarHBondContact CE-OE1 3.16Å; M680-E759 WeakPolarHBondContact CE-OE2 3.29Å; M680-E759 VanDerWaalsContact SD-CD 3.52Å; M680-E759 VanDerWaalsContact SD-OE2 3.36Å; F755-E759 HydrophobicContact CD2-CB 4.47Å; F755-E759 HydrophobicContact CD2-CG 3.93Å; F755-E759 HydrophobicContact CE2-CB 4.23Å; F755-E759 HydrophobicContact CE2-CG 3.73Å; F755-E759 HydrophobicContact CZ-CB 4.28Å; F755-E759 HydrophobicContact CZ-CG 4.26Å; F755-E759 WeakPolarHBondContact O-CB 3.38Å; F755-E759 PolarHBondContact O-N 3.03Å; E759-R761 HydrophobicContact CB-CB 4.28Å; E759-R761 HydrophobicContact CB-CG 4.34Å; E759-R761 PolarHBondContact O-N 2.87Å
760H76.5Confident72.5Confident120 Ų12059.5 Ų59.556%0.55631%0.311SS*.  trans54.637-172.9-60.5-67.2000112.8I756 E831I756-H760 WeakPolarHBondContact O-CA 3.2Å; I756-H760 PolarHBondContact O-N 3.12Å; H760-E831 WeakPolarHBondContact CA-OE2 3.36Å; H760-E831 VanDerWaalsContact CB-OE2 3.23Å; H760-E831 WeakPolarHBondContact CB-OE2 3.31Å; H760-E831 IonicContact CE1-OE1 3.48Å; H760-E831 IonicContact CG-OE1 3.9Å; H760-E831 IonicContact CG-OE2 2.69Å; H760-E831 IonicContact ND1-OE1 2.86Å; H760-E831 PolarHBondContact ND1-OE1 3.36Å; H760-E831 IonicContact ND1-OE2 2.69Å; H760-E831 PolarHBondContact ND1-OE2 3.24Å; H760-E831 VanDerWaalsContact ND1-OE2 3.16Å
761R73.2Confident71.4Confident77 Ų7758.7 Ų58.729%0.29131%0.306SS..  trans-126.3131-177.2-71.4179.8-170.3-134.87.7112E688 F755 E759E688-R761 VanDerWaalsContact CD-NH1 3.28Å; E688-R761 IonicContact OE1-CZ 2.69Å; E688-R761 IonicContact OE1-NH1 2.67Å; E688-R761 IonicContact OE1-NH2 3.88Å; E688-R761 PolarHBondContact OE1-NH2 3.39Å; E688-R761 IonicContact OE2-CZ 3.84Å; E688-R761 IonicContact OE2-NH1 2.63Å; E688-R761 PolarHBondContact OE2-NH1 3.09Å; E688-R761 IonicContact OE2-NH2 3.63Å; E688-R761 PolarHBondContact OE2-NH2 3.3Å; F755-R761 HydrophobicContact CE1-CB 4.06Å; F755-R761 HydrophobicContact CZ-CB 4.34Å; E759-R761 HydrophobicContact CB-CB 4.28Å; E759-R761 HydrophobicContact CB-CG 4.34Å; E759-R761 PolarHBondContact O-N 2.87Å
762V72.7Confident70.6Confident8 Ų859.1 Ų59.15%0.04831%0.312CS..SBendtrans-117.4-4.7177.4-62.50000113.8I756 L773 F828 E831 L835I756-V762 HydrophobicContact CG2-CG1 4.1Å; V762-L773 HydrophobicContact CB-CD2 4.29Å; V762-L773 HydrophobicContact CG2-CD2 3.95Å; V762-F828 HydrophobicContact CB-CD2 4.1Å; V762-F828 HydrophobicContact CB-CE2 4.22Å; V762-F828 HydrophobicContact CG1-CD2 3.8Å; V762-F828 HydrophobicContact CG1-CE2 4.38Å; V762-E831 HydrophobicContact CG1-CB 3.63Å; V762-E831 HydrophobicContact CG1-CG 4.39Å; V762-L835 HydrophobicContact CG2-CD1 3.92Å
763S70.5Confident70.1Confident21 Ų2160.6 Ų60.615%0.14732%0.319CS..  trans-150.8155.5-177.860.10000111.1I771 D772S763-I771 WeakPolarHBondContact OG-CG2 3.31Å; S763-D772 WeakPolarHBondContact CB-O 3.48Å
764E61.9Low69.7Low39 Ų3959.8 Ų59.818%0.18232%0.315CS..SBendtrans-88.8-18.7179.6-55.4-172.1122.800113.2Q689 N690 L692 N693 Q766Q689-E764 VanDerWaalsContact C-OE1 3.23Å; N690-E764 PolarHBondContact N-OE1 2.67Å; L692-E764 HydrophobicContact CB-CG 3.67Å; L692-E764 HydrophobicContact CD1-CG 3.94Å; L692-E764 HydrophobicContact CG-CG 4.24Å; L692-E764 PolarHBondContact N-OE1 3.21Å; L692-E764 VanDerWaalsContact N-OE1 3.12Å; N693-E764 WeakPolarHBondContact CB-OE1 3.45Å; N693-E764 WeakPolarHBondContact CB-OE2 3.44Å; N693-E764 PolarHBondContact N-OE1 3.34Å; N693-E764 PolarHBondContact N-OE2 2.85Å; E764-Q766 PolarHBondContact O-N 3.29Å
765N59.4Low69.6Low67 Ų6756.6 Ų56.636%0.35830%0.298SS..  trans-75.5119.5177.2-71.2-9.1000110.5S767 D770N765-S767 PolarHBondContact O-N 2.66Å; N765-D770 PolarHBondContact ND2-O 3.33Å
766Q52.3Low69.6Low153 Ų15356 Ų5672%0.71530%0.296SS*.  trans-75.1-5.5166.4-65.1-176.3-1.700112.6E688 E764 T768E688-Q766 PolarHBondContact OE2-NE2 3.33Å; E764-Q766 PolarHBondContact O-N 3.29Å; Q766-T768 PolarHBondContact O-N 3.17Å
767S52.4Low69.6Low54 Ų5456.7 Ų56.738%0.37830%0.299SS..  trans-74.9121.8178.646.40000111.5N765 T769N765-S767 PolarHBondContact O-N 2.66Å; S767-T769 PolarHBondContact O-N 3.47Å
768T50.1Low69.5Low112 Ų11253 Ų5369%0.68728%0.28SS*.SBendtrans-71.78.1-177.660.20000114.8Q766Q766-T768 PolarHBondContact O-N 3.17Å
769T51.3Low69.9Low105 Ų10550.4 Ų50.464%0.64427%0.266SS*.SBendtrans-111.5-41-174.352.40000112.9S767S767-T769 PolarHBondContact O-N 3.47Å
770D55.4Low70.5Confident112 Ų11248.4 Ų48.460%0.59926%0.256SS*.  trans-130.875.3-166.7-58.2-80.8000109.9N765 D772N765-D770 PolarHBondContact ND2-O 3.33Å; D770-D772 PolarHBondContact O-N 3.22Å
771I64.6Low71Confident41 Ų4142.8 Ų42.821%0.2123%0.231CC..  trans-80.7102.5-178.1-57-177000108.4S763 L773 L835S763-I771 WeakPolarHBondContact OG-CG2 3.31Å; I771-L773 HydrophobicContact CG2-CD1 4.46Å; I771-L773 HydrophobicContact CG2-CD2 3.57Å; I771-L773 HydrophobicContact CG2-CG 3.86Å; I771-L773 PolarHBondContact O-N 3.11Å; I771-L835 HydrophobicContact CD1-CD1 3.98Å; I771-L835 HydrophobicContact CD1-CD2 4.31Å
772D70.6Confident71.5Confident55 Ų5539.1 Ų39.129%0.29422%0.217SC..  trans-73.9110.9173.4-171.1-5.2000110.1R696 S763 D770 S774R696-D772 IonicContact CZ-OD2 3.73Å; R696-D772 IonicContact NH1-OD2 3.66Å; R696-D772 PolarHBondContact NH1-OD2 3.47Å; R696-D772 IonicContact NH2-OD2 3.9Å; S763-D772 WeakPolarHBondContact CB-O 3.48Å; D770-D772 PolarHBondContact O-N 3.22Å; D772-S774 VanDerWaalsContact CG-OG 3.3Å; D772-S774 WeakPolarHBondContact OD1-CB 3.46Å; D772-S774 PolarHBondContact OD1-N 3.35Å; D772-S774 PolarHBondContact OD1-OG 2.94Å; D772-S774 PolarHBondContact OD2-OG 2.89Å
773L78.2Confident72.1Confident31 Ų3138.8 Ų38.816%0.16221%0.214CC..  trans-104.52.4178.2-61.7178.8000112.8V762 I771 T775 V776 E777 F828V762-L773 HydrophobicContact CB-CD2 4.29Å; V762-L773 HydrophobicContact CG2-CD2 3.95Å; I771-L773 HydrophobicContact CG2-CD1 4.46Å; I771-L773 HydrophobicContact CG2-CD2 3.57Å; I771-L773 HydrophobicContact CG2-CG 3.86Å; I771-L773 PolarHBondContact O-N 3.11Å; L773-T775 VanDerWaalsContact C-N 3.27Å; L773-T775 PolarHBondContact O-N 3.39Å; L773-V776 PolarHBondContact O-N 2.94Å; L773-E777 PolarHBondContact O-N 3.31Å; L773-F828 HydrophobicContact CD1-CE2 4.38Å; L773-F828 HydrophobicContact CD1-CZ 4.17Å; L773-F828 HydrophobicContact CD2-CE2 4.03Å
774S80.3Confident72.7Confident0 Ų037.8 Ų37.80%021%0.208CC..Hα-helixtrans-53.2-40-17456.80000113.4R696 D772 V776 E777 S778R696-S774 PolarHBondContact NH1-OG 2.86Å; R696-S774 PolarHBondContact NH2-OG 3.44Å; D772-S774 VanDerWaalsContact CG-OG 3.3Å; D772-S774 WeakPolarHBondContact OD1-CB 3.46Å; D772-S774 PolarHBondContact OD1-N 3.35Å; D772-S774 PolarHBondContact OD1-OG 2.94Å; D772-S774 PolarHBondContact OD2-OG 2.89Å; S774-V776 PolarHBondContact O-N 2.93Å; S774-E777 PolarHBondContact O-N 3.34Å; S774-S778 VanDerWaalsContact O-CB 3.26Å; S774-S778 WeakPolarHBondContact O-CB 3.29Å; S774-S778 PolarHBondContact O-N 3.44Å; S774-S778 PolarHBondContact O-OG 3.41Å
775T82.5Confident73.4Confident8 Ų836.3 Ų36.35%0.04920%0.2CC..Hα-helixtrans-57.4-46.8176.5-53.90000111.9L692 I695 R696 L773 A779L692-T775 HydrophobicContact CB-CG2 4.29Å; L692-T775 WeakPolarHBondContact O-CG2 3.44Å; I695-T775 HydrophobicContact CB-CG2 4.14Å; I695-T775 HydrophobicContact CG2-CG2 3.74Å; R696-T775 HydrophobicContact CB-CG2 4.1Å; L773-T775 VanDerWaalsContact C-N 3.27Å; L773-T775 PolarHBondContact O-N 3.39Å; T775-A779 VanDerWaalsContact O-CB 3.22Å; T775-A779 WeakPolarHBondContact O-CB 3.27Å; T775-A779 PolarHBondContact O-N 3.13Å
776V85Confident74.3Confident0 Ų033.1 Ų33.10%018%0.183CC..Hα-helixtrans-76.8-36.9-177.4-172.10000111L773 S774 A779 L780 F828L773-V776 PolarHBondContact O-N 2.94Å; S774-V776 PolarHBondContact O-N 2.93Å; V776-A779 PolarHBondContact O-N 3.25Å; V776-L780 HydrophobicContact CG1-CD1 4.18Å; V776-L780 WeakPolarHBondContact O-CB 3.12Å; V776-L780 VanDerWaalsContact O-CG 3.31Å; V776-L780 WeakPolarHBondContact O-CG 3.12Å; V776-L780 PolarHBondContact O-N 3.27Å; V776-F828 HydrophobicContact CB-CD2 4.37Å; V776-F828 HydrophobicContact CB-CE2 4.28Å; V776-F828 HydrophobicContact CG1-CB 4.13Å; V776-F828 HydrophobicContact CG1-CD1 3.95Å; V776-F828 HydrophobicContact CG1-CD2 3.69Å; V776-F828 HydrophobicContact CG1-CE1 4.22Å; V776-F828 HydrophobicContact CG1-CE2 4.01Å; V776-F828 HydrophobicContact CG1-CG 3.66Å; V776-F828 HydrophobicContact CG1-CZ 4.25Å
777E84Confident75.3Confident14 Ų1425.9 Ų25.97%0.06515%0.149CC..Hα-helixtrans-61.1-48.7171.6-69.8-168.3128.300112I710 L773 S774 A779 L780 L781 K850I710-E777 HydrophobicContact CG2-CB 4.11Å; L773-E777 PolarHBondContact O-N 3.31Å; S774-E777 PolarHBondContact O-N 3.34Å; E777-A779 VanDerWaalsContact C-N 3.35Å; E777-A779 PolarHBondContact O-N 2.99Å; E777-L780 PolarHBondContact O-N 2.94Å; E777-L781 VanDerWaalsContact O-CB 3.25Å; E777-L781 WeakPolarHBondContact O-CB 3.24Å; E777-L781 VanDerWaalsContact O-CG 3.25Å; E777-L781 WeakPolarHBondContact O-CG 3.13Å; E777-L781 PolarHBondContact O-N 3.38Å; E777-K850 IonicContact OE1-NZ 2.78Å; E777-K850 PolarHBondContact OE1-NZ 3.49Å; E777-K850 IonicContact OE2-NZ 3.01Å; E777-K850 PolarHBondContact OE2-NZ 3.43Å
778S84.1Confident75.9Confident0 Ų023.4 Ų23.40%013%0.133CC..Hα-helixtrans-60.4-43.7175-75.80000111.4S774 L780 L781 M782S774-S778 VanDerWaalsContact O-CB 3.26Å; S774-S778 WeakPolarHBondContact O-CB 3.29Å; S774-S778 PolarHBondContact O-N 3.44Å; S774-S778 PolarHBondContact O-OG 3.41Å; S778-L780 PolarHBondContact O-N 3Å; S778-L781 PolarHBondContact O-N 2.9Å; S778-M782 VanDerWaalsContact O-CB 3.3Å; S778-M782 WeakPolarHBondContact O-CB 3.48Å; S778-M782 PolarHBondContact O-N 3.22Å
779A87.5Confident76.5Confident0 Ų019.4 Ų19.40%011%0.111CC..Hα-helixtrans-58.4-44.5176.400000112.8L699 W745 I749 L752 T775 V776 E777 L824L699-A779 HydrophobicContact CD1-CB 4.14Å; W745-A779 PolarHBondContact NE1-O 3.02Å; I749-A779 HydrophobicContact CD1-CB 3.71Å; L752-A779 HydrophobicContact CD2-CB 3.71Å; T775-A779 VanDerWaalsContact O-CB 3.22Å; T775-A779 WeakPolarHBondContact O-CB 3.27Å; T775-A779 PolarHBondContact O-N 3.13Å; V776-A779 PolarHBondContact O-N 3.25Å; E777-A779 VanDerWaalsContact C-N 3.35Å; E777-A779 PolarHBondContact O-N 2.99Å; A779-L824 HydrophobicContact CB-CD2 3.98Å
780L87.9Confident76.7Confident0 Ų015.7 Ų15.70%09%0.09CC..Hα-helixtrans-67.7-38.9177.4-74.9166.6000112.9V776 E777 S778 Q821 L824 F825 F828 L847 F874V776-L780 HydrophobicContact CG1-CD1 4.18Å; V776-L780 WeakPolarHBondContact O-CB 3.12Å; V776-L780 VanDerWaalsContact O-CG 3.31Å; V776-L780 WeakPolarHBondContact O-CG 3.12Å; V776-L780 PolarHBondContact O-N 3.27Å; E777-L780 PolarHBondContact O-N 2.94Å; S778-L780 PolarHBondContact O-N 3Å; L780-Q821 PolarHBondContact O-NE2 3.34Å; L780-L824 HydrophobicContact CD2-CB 4.17Å; L780-L824 HydrophobicContact CD2-CD2 3.76Å; L780-L824 HydrophobicContact CD2-CG 3.87Å; L780-L824 HydrophobicContact CG-CD2 3.93Å; L780-L824 HydrophobicContact CG-CG 4.31Å; L780-F825 HydrophobicContact CD1-CD2 4.2Å; L780-F825 HydrophobicContact CD2-CB 3.81Å; L780-F825 HydrophobicContact CD2-CD2 4.37Å; L780-F828 HydrophobicContact CD1-CD1 3.79Å; L780-F828 HydrophobicContact CD1-CE1 4.03Å; L780-L847 HydrophobicContact CD1-CD2 4.37Å; L780-F874 HydrophobicContact CB-CZ 4.34Å; L780-F874 HydrophobicContact CD2-CE2 4.09Å; L780-F874 HydrophobicContact CD2-CZ 4.09Å
781L86.3Confident76.6Confident2 Ų213.6 Ų13.61%0.018%0.076CC..Hα-helixtrans-87.5-29.1-171.3-72174.3000114F706 I710 E777 S778 P783 F784 W785 L847 L851F706-L781 HydrophobicContact CE2-CB 4.18Å; F706-L781 HydrophobicContact CZ-CB 3.75Å; I710-L781 HydrophobicContact CD1-CD1 3.57Å; I710-L781 HydrophobicContact CG1-CD1 4.49Å; E777-L781 VanDerWaalsContact O-CB 3.25Å; E777-L781 WeakPolarHBondContact O-CB 3.24Å; E777-L781 VanDerWaalsContact O-CG 3.25Å; E777-L781 WeakPolarHBondContact O-CG 3.13Å; E777-L781 PolarHBondContact O-N 3.38Å; S778-L781 PolarHBondContact O-N 2.9Å; L781-P783 VanDerWaalsContact C-N 3.34Å; L781-P783 VanDerWaalsContact O-N 3.13Å; L781-F784 HydrophobicContact CD2-CD2 4.12Å; L781-F784 HydrophobicContact CD2-CE2 4.03Å; L781-F784 WeakPolarHBondContact O-CD2 3.39Å; L781-F784 PolarHBondContact O-N 3.46Å; L781-F784 VanDerWaalsContact O-N 3.13Å; L781-W785 HydrophobicContact CB-CZ3 4.05Å; L781-W785 VanDerWaalsContact O-CE3 3.28Å; L781-W785 WeakPolarHBondContact O-CZ3 3.41Å; L781-L847 HydrophobicContact CD1-CD1 3.89Å; L781-L847 HydrophobicContact CD2-CD1 3.74Å; L781-L847 HydrophobicContact CG-CD1 3.79Å; L781-L851 HydrophobicContact CD2-CD1 4.13Å; L781-L851 HydrophobicContact CD2-CD2 3.57Å; L781-L851 HydrophobicContact CD2-CG 3.66Å
782M84.9Confident75.4Confident0 Ų013.8 Ų13.80%08%0.08CC..THydrogen-bonded Turntrans-49.9-38.9-174.4-169.7-175.7-114.200115.5L699 I702 L703 F706 S778 F784 W785 L786L699-M782 HydrophobicContact CB-CE 4.23Å; L699-M782 HydrophobicContact CD2-CE 3.73Å; L699-M782 HydrophobicContact CD2-SD 3.58Å; L699-M782 VanDerWaalsContact CD2-SD 3.58Å; L699-M782 WeakPolarHBondContact O-CE 3.34Å; I702-M782 HydrophobicContact CB-CE 3.89Å; I702-M782 HydrophobicContact CG2-CE 3.92Å; I702-M782 HydrophobicContact CG2-SD 4.35Å; L703-M782 HydrophobicContact CB-CE 3.96Å; L703-M782 HydrophobicContact CD1-CE 4.3Å; L703-M782 HydrophobicContact CD1-CG 4.12Å; L703-M782 HydrophobicContact CG-CE 4.24Å; F706-M782 HydrophobicContact CD1-CB 4.48Å; F706-M782 HydrophobicContact CD1-CE 4.48Å; F706-M782 HydrophobicContact CD1-CG 4.41Å; F706-M782 HydrophobicContact CE1-CB 3.78Å; F706-M782 HydrophobicContact CE1-CG 4.18Å; F706-M782 HydrophobicContact CZ-CB 4.31Å; S778-M782 VanDerWaalsContact O-CB 3.3Å; S778-M782 WeakPolarHBondContact O-CB 3.48Å; S778-M782 PolarHBondContact O-N 3.22Å; M782-F784 PolarHBondContact O-N 3.04Å; M782-F784 VanDerWaalsContact O-N 3.12Å; M782-W785 PolarHBondContact O-N 3.19Å; M782-L786 HydrophobicContact CG-CD1 3.73Å; M782-L786 HydrophobicContact CG-CG 4.14Å; M782-L786 PolarHBondContact O-N 3.31Å; M782-L786 HydrophobicContact SD-CD1 3.8Å
783P85.7Confident73.7Confident0 Ų014.6 Ų14.60%09%0.09CC..Hα-helixtrans-58-28-179.3-29.639000114.7L742 W745 L781 W785 L786 A787 I817 Q821 L870L742-P783 HydrophobicContact CD2-CB 4.17Å; W745-P783 HydrophobicContact CD2-CG 3.81Å; W745-P783 HydrophobicContact CE3-CG 4.25Å; W745-P783 HydrophobicContact CG-CG 4.49Å; W745-P783 HydrophobicContact CH2-CG 3.85Å; W745-P783 HydrophobicContact CZ2-CG 3.29Å; W745-P783 HydrophobicContact CZ3-CG 4.28Å; L781-P783 VanDerWaalsContact C-N 3.34Å; L781-P783 VanDerWaalsContact O-N 3.13Å; P783-W785 PolarHBondContact O-N 2.94Å; P783-L786 PolarHBondContact O-N 3.44Å; P783-A787 WeakPolarHBondContact O-CB 3.32Å; P783-A787 PolarHBondContact O-N 2.87Å; P783-I817 HydrophobicContact CB-CG2 3.86Å; P783-I817 HydrophobicContact CG-CG2 4.18Å; P783-Q821 HydrophobicContact CG-CG 4.11Å; P783-L870 HydrophobicContact CB-CD2 3.82Å
784F81.4Confident71.6Confident1 Ų117.5 Ų17.50%0.00411%0.109CC..Hα-helixtrans-68-19.1178.8-51.7-56.3000112.9L781 M782 L851 L870 I871 F874L781-F784 HydrophobicContact CD2-CD2 4.12Å; L781-F784 HydrophobicContact CD2-CE2 4.03Å; L781-F784 WeakPolarHBondContact O-CD2 3.39Å; L781-F784 PolarHBondContact O-N 3.46Å; L781-F784 VanDerWaalsContact O-N 3.13Å; M782-F784 PolarHBondContact O-N 3.04Å; M782-F784 VanDerWaalsContact O-N 3.12Å; F784-L851 HydrophobicContact CD2-CD2 3.76Å; F784-L851 HydrophobicContact CE2-CD2 3.8Å; F784-L870 HydrophobicContact CD1-CB 4.33Å; F784-L870 HydrophobicContact CD1-CD2 3.93Å; F784-L870 HydrophobicContact CD1-CG 4.13Å; F784-L870 HydrophobicContact CE1-CB 4.19Å; F784-L870 HydrophobicContact CE1-CD2 4.01Å; F784-L870 HydrophobicContact CE1-CG 3.8Å; F784-I871 HydrophobicContact CD1-CB 4.47Å; F784-I871 HydrophobicContact CD1-CD1 4.24Å; F784-I871 HydrophobicContact CD1-CG1 3.35Å; F784-I871 HydrophobicContact CE1-CB 4.22Å; F784-I871 HydrophobicContact CE1-CG1 3.53Å; F784-I871 HydrophobicContact CG-CD1 4.42Å; F784-I871 HydrophobicContact CG-CG1 3.95Å; F784-I871 HydrophobicContact CZ-CG1 4.27Å; F784-F874 HydrophobicContact CE1-CB 4.35Å; F784-F874 HydrophobicContact CE2-CD1 4.08Å; F784-F874 HydrophobicContact CE2-CE1 4.41Å; F784-F874 HydrophobicContact CZ-CB 3.83Å; F784-F874 AromaticContact CZ-CD1 3.67Å; F784-F874 HydrophobicContact CZ-CD1 3.67Å; F784-F874 HydrophobicContact CZ-CE1 4.39Å; F784-F874 AromaticContact CZ-CG 3.81Å; F784-F874 HydrophobicContact CZ-CG 3.81Å
785W77.2Confident69.3Low7 Ų725.2 Ų25.23%0.02715%0.147CC..Hα-helixtrans-99.2-16.9173.5-74.5-98.4000114.2L703 F706 V735 R736 L781 M782 P783 L854 Y858L703-W785 HydrophobicContact CD1-CB 4.04Å; F706-W785 AromaticContact CD2-CD2 3.84Å; F706-W785 HydrophobicContact CD2-CD2 3.84Å; F706-W785 AromaticContact CD2-CE2 3.82Å; F706-W785 AromaticContact CD2-CE3 3.92Å; F706-W785 HydrophobicContact CD2-CE3 3.92Å; F706-W785 HydrophobicContact CD2-CG 4.45Å; F706-W785 AromaticContact CD2-CH2 3.91Å; F706-W785 HydrophobicContact CD2-CH2 3.91Å; F706-W785 AromaticContact CD2-CZ2 3.8Å; F706-W785 HydrophobicContact CD2-CZ2 3.8Å; F706-W785 HydrophobicContact CD2-CZ3 4.01Å; F706-W785 HydrophobicContact CE2-CD2 4.01Å; F706-W785 AromaticContact CE2-CE3 3.6Å; F706-W785 HydrophobicContact CE2-CE3 3.6Å; F706-W785 AromaticContact CE2-CH2 3.46Å; F706-W785 HydrophobicContact CE2-CH2 3.46Å; F706-W785 VanDerWaalsContact CE2-CH2 3.46Å; F706-W785 AromaticContact CE2-CZ2 3.86Å; F706-W785 HydrophobicContact CE2-CZ2 3.86Å; F706-W785 AromaticContact CE2-CZ3 3.36Å; F706-W785 HydrophobicContact CE2-CZ3 3.36Å; F706-W785 HydrophobicContact CZ-CE3 4.29Å; F706-W785 HydrophobicContact CZ-CZ3 4.15Å; V735-W785 WeakPolarHBondContact CG1-O 3.49Å; R736-W785 PolarHBondContact N-O 2.85Å; L781-W785 HydrophobicContact CB-CZ3 4.05Å; L781-W785 VanDerWaalsContact O-CE3 3.28Å; L781-W785 WeakPolarHBondContact O-CZ3 3.41Å; M782-W785 PolarHBondContact O-N 3.19Å; P783-W785 PolarHBondContact O-N 2.94Å; W785-L854 HydrophobicContact CE3-CD2 4.4Å; W785-L854 HydrophobicContact CH2-CD1 3.68Å; W785-L854 HydrophobicContact CH2-CD2 3.34Å; W785-L854 HydrophobicContact CH2-CG 4.07Å; W785-L854 HydrophobicContact CZ2-CD1 3.18Å; W785-L854 HydrophobicContact CZ2-CD2 3.73Å; W785-L854 HydrophobicContact CZ2-CG 4.05Å; W785-L854 HydrophobicContact CZ3-CD2 3.68Å; W785-Y858 PolarHBondContact NE1-OH 3.29Å
786L77.9Confident67Low0 Ų031.3 Ų31.30%018%0.179CC..Hα-helixtrans-99.4-24.3179.1-67.7179000113.7I702 L703 R736 F737 S738 A741 L742 M782 P783 G788I702-L786 HydrophobicContact CG2-CD1 4.49Å; L703-L786 HydrophobicContact CD1-CD2 3.75Å; L703-L786 HydrophobicContact CD1-CG 4Å; L703-L786 HydrophobicContact CD2-CD2 4.49Å; L703-L786 HydrophobicContact CG-CD2 4.19Å; R736-L786 CarbonylContact O-C 3.55Å; R736-L786 VanDerWaalsContact O-CA 3.28Å; R736-L786 WeakPolarHBondContact O-CA 3.5Å; R736-L786 VanDerWaalsContact O-O 3.11Å; F737-L786 WeakPolarHBondContact CA-O 3.1Å; S738-L786 PolarHBondContact N-O 2.83Å; A741-L786 HydrophobicContact CB-CD1 3.95Å; A741-L786 HydrophobicContact CB-CD2 3.87Å; A741-L786 HydrophobicContact CB-CG 4.48Å; L742-L786 HydrophobicContact CD1-CB 4.38Å; L742-L786 HydrophobicContact CD2-CB 3.52Å; L742-L786 HydrophobicContact CD2-CD1 4.19Å; L742-L786 HydrophobicContact CG-CB 3.76Å; M782-L786 HydrophobicContact CG-CD1 3.73Å; M782-L786 HydrophobicContact CG-CG 4.14Å; M782-L786 PolarHBondContact O-N 3.31Å; M782-L786 HydrophobicContact SD-CD1 3.8Å; P783-L786 PolarHBondContact O-N 3.44Å; L786-G788 PolarHBondContact O-N 3.3Å
787A73.1Confident64.4Low1 Ų134.9 Ų34.91%0.00822%0.216CC..SBendtrans-80.41.1179.600000114.5L742 P783 N867 L870L742-A787 HydrophobicContact CD1-CB 4.2Å; P783-A787 WeakPolarHBondContact O-CB 3.32Å; P783-A787 PolarHBondContact O-N 2.87Å; A787-N867 HydrophobicContact CB-CB 4.17Å; A787-L870 HydrophobicContact CB-CD2 3.99Å
788G66.9Low62Low3 Ų341.3 Ų41.33%0.03125%0.251CS..  trans67.5-166.7172.800000115.5L786 N865 V866 N867L786-G788 PolarHBondContact O-N 3.3Å; G788-N865 CarbonylContact C-O 3.1Å; G788-V866 CarbonylContact O-C 3.56Å; G788-N867 WeakPolarHBondContact O-CB 3.42Å; G788-N867 PolarHBondContact O-N 2.97Å; G788-N867 VanDerWaalsContact O-N 3.15Å
789A61.1Low59.6Low27 Ų2749.7 Ų49.722%0.22329%0.29CS..  trans-68.8150.8-179.100000113.3H791 F863 E864 N865A789-H791 PolarHBondContact O-N 3.44Å; A789-H791 VanDerWaalsContact O-N 3.11Å; A789-F863 WeakPolarHBondContact CB-O 3.24Å; A789-E864 VanDerWaalsContact CB-O 3.29Å; A789-E864 WeakPolarHBondContact CB-O 3.16Å; A789-N865 WeakPolarHBondContact CA-O 3.27Å; A789-N865 PolarHBondContact N-O 3.46Å
790S55.7Low56.9Low28 Ų2857.2 Ų57.220%0.19633%0.33CS..  trans-72.998.8162.4-620000109.2P792 F863 V866 N867 L868S790-P792 VanDerWaalsContact O-N 3.11Å; S790-F863 PolarHBondContact N-O 2.71Å; S790-V866 PolarHBondContact N-O 2.94Å; S790-V866 PolarHBondContact OG-O 3.36Å; S790-N867 WeakPolarHBondContact OG-CA 3.31Å; S790-L868 PolarHBondContact OG-N 3.5Å
791H52.8Low54.3Low67 Ų6760.9 Ų60.931%0.3136%0.355SS..  trans-591.7-179.7-157.8-34.1000115.9A789 Y808 N986A789-H791 PolarHBondContact O-N 3.44Å; A789-H791 VanDerWaalsContact O-N 3.11Å; H791-Y808 HydrophobicContact CB-CD1 4.04Å; H791-Y808 HydrophobicContact CB-CE1 4.08Å; H791-Y808 HydrophobicContact CB-CG 4.31Å; H791-Y808 AromaticContact CD2-CD2 3.31Å; H791-Y808 WeakPolarHBondContact CD2-CD2 3.12Å; H791-Y808 AromaticContact CD2-CE2 3.51Å; H791-Y808 AromaticContact CD2-CG 3.67Å; H791-Y808 AromaticContact CE1-CD2 3.81Å; H791-Y808 AromaticContact CE1-CE2 3.19Å; H791-Y808 WeakPolarHBondContact CE1-CE2 3.37Å; H791-Y808 AromaticContact CE1-CZ 3.61Å; H791-Y808 AromaticContact CG-CD2 3.83Å; H791-Y808 AromaticContact CG-CE1 3.95Å; H791-Y808 AromaticContact CG-CE2 3.69Å; H791-Y808 AromaticContact CG-CG 3.99Å; H791-Y808 AromaticContact CG-CZ 3.73Å; H791-Y808 AromaticContact ND1-CE2 3.51Å; H791-Y808 AromaticContact ND1-CZ 3.46Å; H791-Y808 AromaticContact NE2-CD2 3.33Å; H791-Y808 VanDerWaalsContact NE2-CD2 3.33Å; H791-Y808 WeakPolarHBondContact NE2-CD2 3.11Å; H791-Y808 AromaticContact NE2-CE2 3.22Å; H791-Y808 WeakPolarHBondContact NE2-CE2 3.39Å; H791-N986 PolarHBondContact CD2-ND2 3.01Å; H791-N986 VanDerWaalsContact CD2-ND2 3.33Å; H791-N986 PolarHBondContact CE1-ND2 2.98Å; H791-N986 VanDerWaalsContact CE1-ND2 3.35Å; H791-N986 PolarHBondContact NE2-ND2 2.73Å
792P40.9Very low51.5Low45 Ų4566.2 Ų66.229%0.29239%0.393SS..  trans-61.1139.4-179.323.4-34.2000111.7S790 T794S790-P792 VanDerWaalsContact O-N 3.11Å; P792-T794 PolarHBondContact O-N 2.82Å
793S34.7Very low48.8Very low73 Ų7370.3 Ų70.351%0.5142%0.422SS..  trans-96.634.4-174.853.60000113.1W953S793-W953 VanDerWaalsContact O-CZ2 3.27Å; S793-W953 WeakPolarHBondContact O-CZ2 3.33Å; S793-W953 PolarHBondContact O-NE1 3.15Å
794T33.4Very low46.2Very low91 Ų9175.8 Ų75.856%0.55845%0.451SS*.  trans-150106.4-178.128.60000112.1P792P792-T794 PolarHBondContact O-N 2.82Å
795M31.7Very low43.9Very low162 Ų16282 Ų8280%0.79849%0.489SS*.  trans-148.1119.3153.8-95.2-64.3169.900107.2
796D35.3Very low42.3Very low136 Ų13686.1 Ų86.173%0.72751%0.507SS*.  trans-75.4130.4-175.6-77.2-52.2000111.6N798D796-N798 PolarHBondContact O-N 3.34Å
797G30.6Very low41.1Very low75 Ų7590.5 Ų90.577%0.77353%0.528SS*.SBendtrans-8177.5-177.700000113
798N32.5Very low40.5Very low149 Ų14993.4 Ų93.480%0.79754%0.539SS*.  trans-164.495.1160.6-96.4-33.4000111.6D796D796-N798 PolarHBondContact O-N 3.34Å
799H35.1Very low40.6Very low176 Ų17694 Ų9482%0.81554%0.541SS*.  trans176.5135.3132-95.9-61.4000111.1S801H799-S801 PolarHBondContact O-N 3.48Å
800D30.6Very low41Very low158 Ų15894.9 Ų94.985%0.84555%0.546SS*.  trans-7983.5-172.5-59.9-76.8000114
801S31.8Very low41.6Very low77 Ų7797.4 Ų97.454%0.53855%0.554SS.*  trans-143.1126.816953.40000112H799 S803H799-S801 PolarHBondContact O-N 3.48Å; S801-S803 PolarHBondContact O-N 3.01Å
802S27.9Very low42.7Very low115 Ų11597.7 Ų97.780%0.80455%0.554SS**  trans-75.4107.2-175.850.50000113.4
803S27.5Very low44.5Very low85 Ų8597.1 Ų97.159%0.59455%0.548SS*.  trans-164.5155.8163.650.40000112.2S801S801-S803 PolarHBondContact O-N 3.01Å
804D31.9Very low46.5Very low116 Ų11693.8 Ų93.862%0.6253%0.525SS*.  trans53.875.3159.2-62.96.1000117.8F806D804-F806 PolarHBondContact O-N 3.33Å
805T34.2Very low48.7Very low131 Ų13193.2 Ų93.280%0.80452%0.518SS*.  trans-66.8100.2153.6-57.90000108.4Q807T805-Q807 PolarHBondContact O-N 2.97Å; T805-Q807 VanDerWaalsContact O-N 3.07Å
806F42.2Very low51.2Low93 Ų9386.7 Ų86.741%0.40849%0.49SS..  trans-54.9117.2173.7-78.3-97.9000110D804 Y808D804-F806 PolarHBondContact O-N 3.33Å; F806-Y808 HydrophobicContact CB-CE1 4.46Å; F806-Y808 HydrophobicContact CB-CE2 3.64Å; F806-Y808 VanDerWaalsContact CB-OH 3.24Å; F806-Y808 WeakPolarHBondContact CB-OH 3.16Å; F806-Y808 WeakPolarHBondContact O-CD2 3.36Å; F806-Y808 VanDerWaalsContact O-CE2 3.23Å; F806-Y808 WeakPolarHBondContact O-CE2 3.1Å
807Q53.7Low53.7Low92 Ų9280.7 Ų80.743%0.4346%0.458SS..  trans-86.5145.7174.5-64.9-1781.500109.8F737 T805F737-Q807 HydrophobicContact CD1-CB 4.12Å; F737-Q807 HydrophobicContact CE1-CB 3.52Å; F737-Q807 HydrophobicContact CZ-CB 4.26Å; T805-Q807 PolarHBondContact O-N 2.97Å; T805-Q807 VanDerWaalsContact O-N 3.07Å
808Y60.2Low56.3Low62 Ų6277.5 Ų77.524%0.24342%0.424CS..  trans-136.2150.6178.5-57.8-76.6000109.1H791 F806 S810H791-Y808 HydrophobicContact CB-CD1 4.04Å; H791-Y808 HydrophobicContact CB-CE1 4.08Å; H791-Y808 HydrophobicContact CB-CG 4.31Å; H791-Y808 AromaticContact CD2-CD2 3.31Å; H791-Y808 WeakPolarHBondContact CD2-CD2 3.12Å; H791-Y808 AromaticContact CD2-CE2 3.51Å; H791-Y808 AromaticContact CD2-CG 3.67Å; H791-Y808 AromaticContact CE1-CD2 3.81Å; H791-Y808 AromaticContact CE1-CE2 3.19Å; H791-Y808 WeakPolarHBondContact CE1-CE2 3.37Å; H791-Y808 AromaticContact CE1-CZ 3.61Å; H791-Y808 AromaticContact CG-CD2 3.83Å; H791-Y808 AromaticContact CG-CE1 3.95Å; H791-Y808 AromaticContact CG-CE2 3.69Å; H791-Y808 AromaticContact CG-CG 3.99Å; H791-Y808 AromaticContact CG-CZ 3.73Å; H791-Y808 AromaticContact ND1-CE2 3.51Å; H791-Y808 AromaticContact ND1-CZ 3.46Å; H791-Y808 AromaticContact NE2-CD2 3.33Å; H791-Y808 VanDerWaalsContact NE2-CD2 3.33Å; H791-Y808 WeakPolarHBondContact NE2-CD2 3.11Å; H791-Y808 AromaticContact NE2-CE2 3.22Å; H791-Y808 WeakPolarHBondContact NE2-CE2 3.39Å; F806-Y808 HydrophobicContact CB-CE1 4.46Å; F806-Y808 HydrophobicContact CB-CE2 3.64Å; F806-Y808 VanDerWaalsContact CB-OH 3.24Å; F806-Y808 WeakPolarHBondContact CB-OH 3.16Å; F806-Y808 WeakPolarHBondContact O-CD2 3.36Å; F806-Y808 VanDerWaalsContact O-CE2 3.23Å; F806-Y808 WeakPolarHBondContact O-CE2 3.1Å; Y808-S810 PolarHBondContact O-N 2.83Å
809L68.8Low58.9Low15 Ų1573.8 Ų73.88%0.07941%0.406CS..  trans-64.2135.7-180-146.486.9000110.5F737 L742 D813 I817 Q989F737-L809 HydrophobicContact CE2-CB 4.05Å; F737-L809 HydrophobicContact CE2-CD1 3.8Å; F737-L809 HydrophobicContact CZ-CD1 4.3Å; L742-L809 HydrophobicContact CD1-CD1 3.5Å; L809-D813 HydrophobicContact CD1-CB 4.43Å; L809-D813 HydrophobicContact CD2-CB 3.86Å; L809-D813 HydrophobicContact CG-CB 3.8Å; L809-I817 HydrophobicContact CD1-CD1 4.44Å; L809-I817 HydrophobicContact CD2-CD1 3.62Å; L809-Q989 PolarHBondContact O-NE2 3.22Å
810S69.3Low61.5Low47 Ų4767.8 Ų67.833%0.32938%0.376SS..  trans-70.1159.9177.388.80000110.6Y808 K812 D813 S814Y808-S810 PolarHBondContact O-N 2.83Å; S810-K812 PolarHBondContact O-N 3.41Å; S810-K812 PolarHBondContact OG-N 2.91Å; S810-D813 WeakPolarHBondContact CB-OD2 3.48Å; S810-D813 PolarHBondContact N-OD2 2.8Å; S810-D813 VanDerWaalsContact N-OD2 3.1Å; S810-D813 PolarHBondContact O-N 2.94Å; S810-D813 PolarHBondContact OG-N 3.26Å; S810-D813 VanDerWaalsContact OG-N 3.17Å; S810-D813 PolarHBondContact OG-OD2 3.16Å; S810-S814 WeakPolarHBondContact O-CB 3.23Å; S810-S814 PolarHBondContact O-N 3.46Å
811F68.3Low64.3Low81 Ų8160.2 Ų60.236%0.35534%0.336SS..Hα-helixtrans-61-29.9174.8179.6-91.1000112.2L815 H869 H992F811-L815 WeakPolarHBondContact O-CB 3.23Å; F811-L815 PolarHBondContact O-N 3.16Å; F811-L815 VanDerWaalsContact O-N 3.12Å; F811-H869 AromaticContact CD2-NE2 3.79Å; F811-H869 AromaticContact CE2-NE2 3.59Å; F811-H992 HydrophobicContact CE2-CB 4.33Å; F811-H992 AromaticContact CE2-CD2 3.59Å
812K75.7Confident66.9Low73 Ų7357.6 Ų57.632%0.31732%0.318SS..Hα-helixtrans-71.1-49.1178.4-165.1-166.5178.9-160.50110.6S810 S814 L815 A816 D1923 D1925S810-K812 PolarHBondContact O-N 3.41Å; S810-K812 PolarHBondContact OG-N 2.91Å; K812-S814 VanDerWaalsContact C-N 3.34Å; K812-S814 PolarHBondContact O-N 3.12Å; K812-L815 WeakPolarHBondContact O-CA 2.99Å; K812-L815 WeakPolarHBondContact O-CB 3.47Å; K812-L815 PolarHBondContact O-N 2.83Å; K812-A816 PolarHBondContact O-N 3.45Å; K812-D1923 WeakPolarHBondContact CD-OD1 3.25Å; K812-D1923 WeakPolarHBondContact CE-OD1 3.47Å; K812-D1923 IonicContact NZ-OD1 2.73Å; K812-D1923 PolarHBondContact NZ-OD1 3.03Å; K812-D1923 IonicContact NZ-OD2 3.69Å; K812-D1923 PolarHBondContact NZ-OD2 3.04Å; K812-D1925 WeakPolarHBondContact CE-OD2 3.43Å; K812-D1925 IonicContact NZ-OD2 2.72Å; K812-D1925 PolarHBondContact NZ-OD2 3.34Å
813D78.4Confident69.9Low32 Ų3256.1 Ų56.117%0.17130%0.301CS..Hα-helixtrans-62.2-42.3177-47.8-45.3000111.1L809 S810 L815 A816 I817L809-D813 HydrophobicContact CD1-CB 4.43Å; L809-D813 HydrophobicContact CD2-CB 3.86Å; L809-D813 HydrophobicContact CG-CB 3.8Å; S810-D813 WeakPolarHBondContact CB-OD2 3.48Å; S810-D813 PolarHBondContact N-OD2 2.8Å; S810-D813 VanDerWaalsContact N-OD2 3.1Å; S810-D813 PolarHBondContact O-N 2.94Å; S810-D813 PolarHBondContact OG-N 3.26Å; S810-D813 VanDerWaalsContact OG-N 3.17Å; S810-D813 PolarHBondContact OG-OD2 3.16Å; D813-L815 PolarHBondContact O-N 3.38Å; D813-A816 PolarHBondContact O-N 3.33Å; D813-I817 WeakPolarHBondContact O-CB 3.27Å; D813-I817 VanDerWaalsContact O-CG1 3.3Å; D813-I817 WeakPolarHBondContact O-CG1 3.42Å; D813-I817 PolarHBondContact O-N 3.19Å
814S77.2Confident72.9Confident4 Ų452 Ų523%0.02827%0.272CS..Hα-helixtrans-59.9-33.7174.8175.90000112.3S810 K812 S818 L870 R873S810-S814 WeakPolarHBondContact O-CB 3.23Å; S810-S814 PolarHBondContact O-N 3.46Å; K812-S814 VanDerWaalsContact C-N 3.34Å; K812-S814 PolarHBondContact O-N 3.12Å; S814-S818 VanDerWaalsContact O-CB 3.26Å; S814-S818 WeakPolarHBondContact O-CB 3.48Å; S814-S818 PolarHBondContact O-N 3.44Å; S814-L870 WeakPolarHBondContact O-CD1 3.3Å; S814-R873 PolarHBondContact OG-NH1 2.86Å; S814-R873 VanDerWaalsContact OG-NH1 3.09Å
815L80.5Confident75.6Confident78 Ų7846.5 Ų46.541%0.40824%0.243SC..Hα-helixtrans-74.9-44.6174.9-175.563.3000111F811 K812 D813 S818 V819F811-L815 WeakPolarHBondContact O-CB 3.23Å; F811-L815 PolarHBondContact O-N 3.16Å; F811-L815 VanDerWaalsContact O-N 3.12Å; K812-L815 WeakPolarHBondContact O-CA 2.99Å; K812-L815 WeakPolarHBondContact O-CB 3.47Å; K812-L815 PolarHBondContact O-N 2.83Å; D813-L815 PolarHBondContact O-N 3.38Å; L815-S818 PolarHBondContact O-N 2.76Å; L815-V819 WeakPolarHBondContact O-CG2 3.39Å; L815-V819 PolarHBondContact O-N 3.48Å
816A84.4Confident78.1Confident25 Ų2542.1 Ų42.121%0.20722%0.217CC..Hα-helixtrans-62.7-42.5179.200000112.7K812 D813 V819 R820K812-A816 PolarHBondContact O-N 3.45Å; D813-A816 PolarHBondContact O-N 3.33Å; A816-V819 PolarHBondContact O-N 2.75Å; A816-R820 PolarHBondContact O-N 3.21Å
817I86.3Confident80.2Confident11 Ų1137.8 Ų37.86%0.05620%0.199CC..Hα-helixtrans-63.8-46.4173-66.3170.2000110.2L742 W745 P783 L809 D813 V819 R820 Q821 L870L742-I817 HydrophobicContact CB-CD1 4.14Å; L742-I817 HydrophobicContact CD1-CD1 3.75Å; L742-I817 HydrophobicContact CD2-CD1 3.98Å; L742-I817 HydrophobicContact CG-CD1 4.16Å; W745-I817 HydrophobicContact CH2-CG2 4.07Å; W745-I817 HydrophobicContact CZ3-CB 4.39Å; W745-I817 HydrophobicContact CZ3-CG1 4.42Å; W745-I817 HydrophobicContact CZ3-CG2 3.83Å; P783-I817 HydrophobicContact CB-CG2 3.86Å; P783-I817 HydrophobicContact CG-CG2 4.18Å; L809-I817 HydrophobicContact CD1-CD1 4.44Å; L809-I817 HydrophobicContact CD2-CD1 3.62Å; D813-I817 WeakPolarHBondContact O-CB 3.27Å; D813-I817 VanDerWaalsContact O-CG1 3.3Å; D813-I817 WeakPolarHBondContact O-CG1 3.42Å; D813-I817 PolarHBondContact O-N 3.19Å; I817-V819 VanDerWaalsContact C-N 3.29Å; I817-V819 PolarHBondContact O-N 3.41Å; I817-R820 PolarHBondContact O-N 3.3Å; I817-Q821 HydrophobicContact CG2-CG 4.35Å; I817-Q821 WeakPolarHBondContact O-CG 3.31Å; I817-Q821 PolarHBondContact O-N 2.9Å; I817-L870 HydrophobicContact CB-CD1 4.3Å; I817-L870 HydrophobicContact CG2-CD1 3.99Å; I817-L870 HydrophobicContact CG2-CD2 4.09Å
818S85.5Confident81.8Confident8 Ų833.7 Ų33.76%0.05618%0.18CC..Hα-helixtrans-59.9-39.2177.9-174.50000112.2S814 L815 Q821 S822 R873S814-S818 VanDerWaalsContact O-CB 3.26Å; S814-S818 WeakPolarHBondContact O-CB 3.48Å; S814-S818 PolarHBondContact O-N 3.44Å; L815-S818 PolarHBondContact O-N 2.76Å; S818-Q821 PolarHBondContact O-N 2.88Å; S818-S822 WeakPolarHBondContact O-CB 3.5Å; S818-S822 PolarHBondContact O-N 2.68Å; S818-S822 PolarHBondContact O-OG 3.25Å; S818-S822 VanDerWaalsContact O-OG 3.06Å; S818-R873 VanDerWaalsContact OG-CB 3.23Å; S818-R873 WeakPolarHBondContact OG-CB 3.43Å
819V88Confident82.9Confident70 Ų7031.4 Ų31.442%0.42417%0.171SC..Hα-helixtrans-65.7-42.8176.1168.90000110.9L815 A816 I817 S822 N823L815-V819 WeakPolarHBondContact O-CG2 3.39Å; L815-V819 PolarHBondContact O-N 3.48Å; A816-V819 PolarHBondContact O-N 2.75Å; I817-V819 VanDerWaalsContact C-N 3.29Å; I817-V819 PolarHBondContact O-N 3.41Å; V819-S822 PolarHBondContact O-N 3.46Å; V819-N823 WeakPolarHBondContact O-CB 3.36Å; V819-N823 PolarHBondContact O-N 3.11Å; V819-N823 PolarHBondContact O-OD1 3.08Å
820R88.4Confident83.5Confident50 Ų5036 Ų3619%0.18919%0.192CC..Hα-helixtrans-63.3-43.7174.1-75.1-177.8168.7105.3-7.7112.8W745 I749 D750 A816 I817 S822 N823 L824W745-R820 HydrophobicContact CH2-CB 3.92Å; W745-R820 HydrophobicContact CZ3-CB 4.05Å; I749-R820 HydrophobicContact CG2-CB 4.35Å; D750-R820 VanDerWaalsContact CG-NE 3.31Å; D750-R820 WeakPolarHBondContact OD1-CD 3.47Å; D750-R820 IonicContact OD1-NE 2.66Å; D750-R820 PolarHBondContact OD1-NE 2.99Å; D750-R820 IonicContact OD2-CZ 2.77Å; D750-R820 VanDerWaalsContact OD2-CZ 3.3Å; D750-R820 IonicContact OD2-NE 2.73Å; D750-R820 PolarHBondContact OD2-NE 2.77Å; D750-R820 IonicContact OD2-NH2 2.63Å; D750-R820 PolarHBondContact OD2-NH2 2.64Å; A816-R820 PolarHBondContact O-N 3.21Å; I817-R820 PolarHBondContact O-N 3.3Å; R820-S822 VanDerWaalsContact C-N 3.32Å; R820-S822 PolarHBondContact O-N 3.15Å; R820-N823 PolarHBondContact O-N 3.44Å; R820-L824 WeakPolarHBondContact O-CB 3.35Å; R820-L824 PolarHBondContact O-N 3.28Å
821Q89.4Confident84Confident0 Ų034.6 Ų34.60%018%0.18CC..Hα-helixtrans-58.3-44.5172.8-72.6-177.6-70.700111W745 L780 P783 I817 S818 F825 F874W745-Q821 HydrophobicContact CH2-CG 3.63Å; W745-Q821 HydrophobicContact CZ2-CG 3.76Å; L780-Q821 PolarHBondContact O-NE2 3.34Å; P783-Q821 HydrophobicContact CG-CG 4.11Å; I817-Q821 HydrophobicContact CG2-CG 4.35Å; I817-Q821 WeakPolarHBondContact O-CG 3.31Å; I817-Q821 PolarHBondContact O-N 2.9Å; S818-Q821 PolarHBondContact O-N 2.88Å; Q821-F825 WeakPolarHBondContact O-CB 3.3Å; Q821-F825 PolarHBondContact O-N 3.44Å; Q821-F874 HydrophobicContact CB-CD2 3.86Å; Q821-F874 HydrophobicContact CB-CE2 4.04Å
822S88.2Confident84.3Confident22 Ų2231.1 Ų31.115%0.15417%0.166CC..Hα-helixtrans-65-38.5176.8-70.30000113.6S818 V819 R820 S826 C877S818-S822 WeakPolarHBondContact O-CB 3.5Å; S818-S822 PolarHBondContact O-N 2.68Å; S818-S822 PolarHBondContact O-OG 3.25Å; S818-S822 VanDerWaalsContact O-OG 3.06Å; V819-S822 PolarHBondContact O-N 3.46Å; R820-S822 VanDerWaalsContact C-N 3.32Å; R820-S822 PolarHBondContact O-N 3.15Å; S822-S826 VanDerWaalsContact O-CB 3.28Å; S822-S826 WeakPolarHBondContact O-CB 3.49Å; S822-S826 PolarHBondContact O-N 3.36Å; S822-S826 PolarHBondContact O-OG 3.33Å; S822-C877 WeakPolarHBondContact CB-SG 3.43Å; S822-C877 VanDerWaalsContact OG-CB 3.27Å; S822-C877 WeakPolarHBondContact OG-CB 3.41Å; S822-C877 PolarHBondContact OG-SG 3.19Å
823N89.6Confident84.2Confident83 Ų8330 Ų3044%0.44417%0.167SC..Hα-helixtrans-67-49177.2-70.1-11.3000111.2T753 V819 R820 F825 S826 A827T753-N823 HydrophobicContact CG2-CB 4.45Å; V819-N823 WeakPolarHBondContact O-CB 3.36Å; V819-N823 PolarHBondContact O-N 3.11Å; V819-N823 PolarHBondContact O-OD1 3.08Å; R820-N823 PolarHBondContact O-N 3.44Å; N823-F825 VanDerWaalsContact C-N 3.33Å; N823-F825 PolarHBondContact O-N 2.94Å; N823-S826 PolarHBondContact O-N 3.26Å; N823-A827 PolarHBondContact O-N 3.22Å
824L90.5Very high83.9Confident0 Ų032.9 Ų32.90%018%0.182CC..Hα-helixtrans-57.5-47.6174.9177.462.7000111.1I749 L752 I756 A779 L780 R820 S826 A827 F828I749-L824 HydrophobicContact CD1-CD2 4.06Å; I749-L824 HydrophobicContact CG1-CD2 4.26Å; I749-L824 HydrophobicContact CG2-CB 3.85Å; I749-L824 HydrophobicContact CG2-CD2 3.94Å; I749-L824 HydrophobicContact CG2-CG 4.35Å; L752-L824 HydrophobicContact CB-CD1 4.37Å; L752-L824 HydrophobicContact CD2-CD1 3.76Å; L752-L824 HydrophobicContact CD2-CD2 4.17Å; L752-L824 HydrophobicContact CG-CD1 3.77Å; I756-L824 HydrophobicContact CD1-CD1 3.81Å; A779-L824 HydrophobicContact CB-CD2 3.98Å; L780-L824 HydrophobicContact CD2-CB 4.17Å; L780-L824 HydrophobicContact CD2-CD2 3.76Å; L780-L824 HydrophobicContact CD2-CG 3.87Å; L780-L824 HydrophobicContact CG-CD2 3.93Å; L780-L824 HydrophobicContact CG-CG 4.31Å; R820-L824 WeakPolarHBondContact O-CB 3.35Å; R820-L824 PolarHBondContact O-N 3.28Å; L824-S826 VanDerWaalsContact C-N 3.31Å; L824-S826 PolarHBondContact O-N 3.26Å; L824-A827 PolarHBondContact O-N 3.31Å; L824-F828 WeakPolarHBondContact O-CB 3.15Å; L824-F828 PolarHBondContact O-N 3.02Å
825F89.3Confident83.4Confident0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-61.2-38177.8-177.6-100.9000112.4L780 Q821 N823 H829 W843 I844 L847 F874 L878 S881L780-F825 HydrophobicContact CD1-CD2 4.2Å; L780-F825 HydrophobicContact CD2-CB 3.81Å; L780-F825 HydrophobicContact CD2-CD2 4.37Å; Q821-F825 WeakPolarHBondContact O-CB 3.3Å; Q821-F825 PolarHBondContact O-N 3.44Å; N823-F825 VanDerWaalsContact C-N 3.33Å; N823-F825 PolarHBondContact O-N 2.94Å; F825-H829 VanDerWaalsContact O-CB 3.23Å; F825-H829 WeakPolarHBondContact O-CB 3.29Å; F825-H829 PolarHBondContact O-N 2.84Å; F825-W843 AromaticContact CD2-CH2 3.87Å; F825-W843 HydrophobicContact CD2-CH2 3.87Å; F825-W843 AromaticContact CD2-CZ3 3.69Å; F825-W843 HydrophobicContact CD2-CZ3 3.69Å; F825-W843 AromaticContact CE1-CH2 3.95Å; F825-W843 HydrophobicContact CE1-CH2 3.95Å; F825-W843 HydrophobicContact CE2-CE3 4.25Å; F825-W843 AromaticContact CE2-CH2 3.21Å; F825-W843 HydrophobicContact CE2-CH2 3.21Å; F825-W843 HydrophobicContact CE2-CZ2 4.41Å; F825-W843 AromaticContact CE2-CZ3 3.11Å; F825-W843 HydrophobicContact CE2-CZ3 3.11Å; F825-W843 HydrophobicContact CG-CH2 4.47Å; F825-W843 AromaticContact CZ-CH2 3.23Å; F825-W843 HydrophobicContact CZ-CH2 3.23Å; F825-W843 HydrophobicContact CZ-CZ2 4.16Å; F825-W843 AromaticContact CZ-CZ3 3.68Å; F825-W843 HydrophobicContact CZ-CZ3 3.68Å; F825-I844 HydrophobicContact CZ-CD1 4.49Å; F825-I844 HydrophobicContact CZ-CG1 4.27Å; F825-L847 HydrophobicContact CD2-CD2 4.19Å; F825-L847 HydrophobicContact CE2-CD2 3.8Å; F825-F874 HydrophobicContact CB-CE2 4.15Å; F825-F874 HydrophobicContact CD2-CE2 4.2Å; F825-F874 AromaticContact CD2-CZ 3.95Å; F825-F874 HydrophobicContact CD2-CZ 3.95Å; F825-F874 HydrophobicContact CE2-CZ 4.47Å; F825-F874 HydrophobicContact CG-CE2 4.24Å; F825-F874 HydrophobicContact CG-CZ 4.45Å; F825-L878 HydrophobicContact CD1-CD2 4.49Å; F825-L878 HydrophobicContact CD2-CD2 3.89Å; F825-L878 HydrophobicContact CE1-CD2 3.85Å; F825-L878 HydrophobicContact CE2-CD2 3.15Å; F825-L878 HydrophobicContact CZ-CB 4.34Å; F825-L878 HydrophobicContact CZ-CD2 3.15Å; F825-L878 HydrophobicContact CZ-CG 4.31Å; F825-S881 WeakPolarHBondContact CE1-OG 3.2Å
826S86.9Confident82.4Confident38 Ų3836.8 Ų36.827%0.26621%0.207SC..Hα-helixtrans-70.2-40.9178.3-61.30000112.6S822 N823 L824 Q830S822-S826 VanDerWaalsContact O-CB 3.28Å; S822-S826 WeakPolarHBondContact O-CB 3.49Å; S822-S826 PolarHBondContact O-N 3.36Å; S822-S826 PolarHBondContact O-OG 3.33Å; N823-S826 PolarHBondContact O-N 3.26Å; L824-S826 VanDerWaalsContact C-N 3.31Å; L824-S826 PolarHBondContact O-N 3.26Å; S826-Q830 VanDerWaalsContact O-CG 3.24Å; S826-Q830 WeakPolarHBondContact O-CG 3.34Å; S826-Q830 PolarHBondContact O-N 2.87Å; S826-Q830 VanDerWaalsContact O-N 3.1Å; S826-Q830 PolarHBondContact O-NE2 2.88Å
827A85.6Confident81.2Confident3 Ų338.9 Ų38.93%0.02522%0.217CC..Hα-helixtrans-66.3-50.2174.800000110.9T753 I756 L757 N823 L824 H829 Q830 E831T753-A827 HydrophobicContact CG2-CB 4.02Å; I756-A827 HydrophobicContact CB-CB 4.37Å; I756-A827 HydrophobicContact CG2-CB 3.93Å; L757-A827 HydrophobicContact CD1-CB 4.41Å; L757-A827 HydrophobicContact CD2-CB 3.77Å; L757-A827 HydrophobicContact CG-CB 3.82Å; N823-A827 PolarHBondContact O-N 3.22Å; L824-A827 PolarHBondContact O-N 3.31Å; A827-H829 VanDerWaalsContact C-N 3.3Å; A827-H829 PolarHBondContact O-N 3.29Å; A827-Q830 PolarHBondContact O-N 2.93Å; A827-Q830 VanDerWaalsContact O-N 3.16Å; A827-E831 PolarHBondContact O-N 3.03Å; A827-E831 VanDerWaalsContact O-N 3.16Å
828F86.8Confident80Confident5 Ų541.2 Ų41.22%0.02223%0.232CC..Hα-helixtrans-55-43.9174.6173.4-130.7000112.2I756 V762 L773 V776 L780 L824 C832 W843I756-F828 HydrophobicContact CD1-CB 4.49Å; V762-F828 HydrophobicContact CB-CD2 4.1Å; V762-F828 HydrophobicContact CB-CE2 4.22Å; V762-F828 HydrophobicContact CG1-CD2 3.8Å; V762-F828 HydrophobicContact CG1-CE2 4.38Å; L773-F828 HydrophobicContact CD1-CE2 4.38Å; L773-F828 HydrophobicContact CD1-CZ 4.17Å; L773-F828 HydrophobicContact CD2-CE2 4.03Å; V776-F828 HydrophobicContact CB-CD2 4.37Å; V776-F828 HydrophobicContact CB-CE2 4.28Å; V776-F828 HydrophobicContact CG1-CB 4.13Å; V776-F828 HydrophobicContact CG1-CD1 3.95Å; V776-F828 HydrophobicContact CG1-CD2 3.69Å; V776-F828 HydrophobicContact CG1-CE1 4.22Å; V776-F828 HydrophobicContact CG1-CE2 4.01Å; V776-F828 HydrophobicContact CG1-CG 3.66Å; V776-F828 HydrophobicContact CG1-CZ 4.25Å; L780-F828 HydrophobicContact CD1-CD1 3.79Å; L780-F828 HydrophobicContact CD1-CE1 4.03Å; L824-F828 WeakPolarHBondContact O-CB 3.15Å; L824-F828 PolarHBondContact O-N 3.02Å; F828-C832 WeakPolarHBondContact CE2-SG 3.47Å; F828-C832 WeakPolarHBondContact O-CB 3.25Å; F828-C832 PolarHBondContact O-N 3.07Å; F828-C832 PolarHBondContact O-SG 3.15Å; F828-W843 AromaticContact CD1-CE3 3.92Å; F828-W843 HydrophobicContact CD1-CE3 3.92Å; F828-W843 HydrophobicContact CD1-CH2 4.4Å; F828-W843 AromaticContact CD1-CZ3 3.53Å; F828-W843 HydrophobicContact CD1-CZ3 3.53Å; F828-W843 HydrophobicContact CE1-CD2 4.41Å; F828-W843 AromaticContact CE1-CE3 3.38Å; F828-W843 HydrophobicContact CE1-CE3 3.38Å; F828-W843 AromaticContact CE1-CZ3 3.5Å; F828-W843 HydrophobicContact CE1-CZ3 3.5Å; F828-W843 VanDerWaalsContact CE1-CZ3 3.5Å; F828-W843 HydrophobicContact CZ-CE3 4.12Å
829H83.8Confident78.9Confident15 Ų1542.5 Ų42.57%0.06924%0.24CC..Hα-helixtrans-60.6-49175.8-175.518.4000112.2F825 A827 E831 C832 C833 W843 S881F825-H829 VanDerWaalsContact O-CB 3.23Å; F825-H829 WeakPolarHBondContact O-CB 3.29Å; F825-H829 PolarHBondContact O-N 2.84Å; A827-H829 VanDerWaalsContact C-N 3.3Å; A827-H829 PolarHBondContact O-N 3.29Å; H829-E831 VanDerWaalsContact C-N 3.29Å; H829-E831 PolarHBondContact O-N 2.87Å; H829-C832 CarbonylContact O-C 3.5Å; H829-C832 PolarHBondContact O-N 2.82Å; H829-C832 VanDerWaalsContact O-N 3.13Å; H829-C833 PolarHBondContact CE1-SG 2.91Å; H829-C833 PolarHBondContact ND1-SG 2.84Å; H829-C833 VanDerWaalsContact ND1-SG 3.35Å; H829-C833 PolarHBondContact O-N 3.07Å; H829-C833 PolarHBondContact O-SG 2.82Å; H829-W843 HydrophobicContact CB-CH2 3.64Å; H829-W843 HydrophobicContact CB-CZ2 3.64Å; H829-W843 AromaticContact CE1-CZ2 3.77Å; H829-W843 AromaticContact CG-CH2 3.9Å; H829-W843 AromaticContact CG-CZ2 3.38Å; H829-W843 AromaticContact ND1-CE2 3.75Å; H829-W843 AromaticContact ND1-CZ2 3.18Å; H829-W843 WeakPolarHBondContact ND1-CZ2 3.34Å; H829-W843 AromaticContact ND1-NE1 3.86Å; H829-S881 PolarHBondContact CD2-O 3.47Å; H829-S881 PolarHBondContact NE2-O 2.89Å
830Q81.6Confident77.9Confident111 Ų11141 Ų4152%0.51923%0.231SC..Hα-helixtrans-58.7-41.9-176.2-76.3168.244.800111.5S826 A827 C833S826-Q830 VanDerWaalsContact O-CG 3.24Å; S826-Q830 WeakPolarHBondContact O-CG 3.34Å; S826-Q830 PolarHBondContact O-N 2.87Å; S826-Q830 VanDerWaalsContact O-N 3.1Å; S826-Q830 PolarHBondContact O-NE2 2.88Å; A827-Q830 PolarHBondContact O-N 2.93Å; A827-Q830 VanDerWaalsContact O-N 3.16Å; Q830-C833 WeakPolarHBondContact O-CB 3.31Å; Q830-C833 PolarHBondContact O-N 3.05Å
831E79.4Confident77.4Confident17 Ų1739.1 Ų39.18%0.07923%0.225CC..Hα-helixtrans-72.2-39175-60.5-49.1133.900112.4I756 H760 V762 A827 H829 C833 L834 L835I756-E831 HydrophobicContact CG2-CB 4.31Å; I756-E831 HydrophobicContact CG2-CG 3.6Å; H760-E831 WeakPolarHBondContact CA-OE2 3.36Å; H760-E831 VanDerWaalsContact CB-OE2 3.23Å; H760-E831 WeakPolarHBondContact CB-OE2 3.31Å; H760-E831 IonicContact CE1-OE1 3.48Å; H760-E831 IonicContact CG-OE1 3.9Å; H760-E831 IonicContact CG-OE2 2.69Å; H760-E831 IonicContact ND1-OE1 2.86Å; H760-E831 PolarHBondContact ND1-OE1 3.36Å; H760-E831 IonicContact ND1-OE2 2.69Å; H760-E831 PolarHBondContact ND1-OE2 3.24Å; H760-E831 VanDerWaalsContact ND1-OE2 3.16Å; V762-E831 HydrophobicContact CG1-CB 3.63Å; V762-E831 HydrophobicContact CG1-CG 4.39Å; A827-E831 PolarHBondContact O-N 3.03Å; A827-E831 VanDerWaalsContact O-N 3.16Å; H829-E831 VanDerWaalsContact C-N 3.29Å; H829-E831 PolarHBondContact O-N 2.87Å; E831-C833 PolarHBondContact O-N 2.97Å; E831-L834 WeakPolarHBondContact O-CB 3.27Å; E831-L834 PolarHBondContact O-N 3.28Å; E831-L834 WeakPolarHBondContact OE2-CD1 3.39Å; E831-L835 PolarHBondContact O-N 3.37Å
832C76Confident76.8Confident8 Ų840 Ų405%0.05423%0.232CC..Hα-helixtrans-63.3-25.2171.8-78.30000113.8F828 H829 L834 L835F828-C832 WeakPolarHBondContact CE2-SG 3.47Å; F828-C832 WeakPolarHBondContact O-CB 3.25Å; F828-C832 PolarHBondContact O-N 3.07Å; F828-C832 PolarHBondContact O-SG 3.15Å; H829-C832 CarbonylContact O-C 3.5Å; H829-C832 PolarHBondContact O-N 2.82Å; H829-C832 VanDerWaalsContact O-N 3.13Å; C832-L834 PolarHBondContact O-N 3.04Å; C832-L835 PolarHBondContact O-N 2.91Å
833C72.2Confident76.2Confident50 Ų5039.6 Ų39.634%0.33823%0.227SC..THydrogen-bonded Turntrans-66.9-24.2170-68.60000113.1H829 Q830 E831 T840H829-C833 PolarHBondContact CE1-SG 2.91Å; H829-C833 PolarHBondContact ND1-SG 2.84Å; H829-C833 VanDerWaalsContact ND1-SG 3.35Å; H829-C833 PolarHBondContact O-N 3.07Å; H829-C833 PolarHBondContact O-SG 2.82Å; Q830-C833 WeakPolarHBondContact O-CB 3.31Å; Q830-C833 PolarHBondContact O-N 3.05Å; E831-C833 PolarHBondContact O-N 2.97Å; C833-T840 HydrophobicContact CB-CG2 4.06Å; C833-T840 WeakPolarHBondContact SG-CG2 3.32Å
834L72.3Confident75.9Confident92 Ų9235.6 Ų35.648%0.48221%0.206SC..THydrogen-bonded Turntrans-83.8-21.4178.2-55.5-178.4000112.1E831 C832 T836 L1430E831-L834 WeakPolarHBondContact O-CB 3.27Å; E831-L834 PolarHBondContact O-N 3.28Å; E831-L834 WeakPolarHBondContact OE2-CD1 3.39Å; C832-L834 PolarHBondContact O-N 3.04Å; L834-T836 PolarHBondContact O-N 3.48Å; L834-L1430 HydrophobicContact CD2-CD2 4.16Å
835L67.3Low75.6Confident50 Ų5036.7 Ų36.726%0.26221%0.212SC..  trans-71.990.1175.7-65.3177.2000111.2V762 I771 E831 C832 T837 V838V762-L835 HydrophobicContact CG2-CD1 3.92Å; I771-L835 HydrophobicContact CD1-CD1 3.98Å; I771-L835 HydrophobicContact CD1-CD2 4.31Å; E831-L835 PolarHBondContact O-N 3.37Å; C832-L835 PolarHBondContact O-N 2.91Å; L835-T837 PolarHBondContact O-N 2.83Å; L835-V838 PolarHBondContact O-N 3.44Å
836T58.5Low75.1Confident114 Ų11439.2 Ų39.270%0.69922%0.224SC*.THydrogen-bonded Turntrans-65.313.3-175.869.30000115.9L834 F898L834-T836 PolarHBondContact O-N 3.48Å; T836-F898 VanDerWaalsContact O-CE2 3.31Å; T836-F898 WeakPolarHBondContact O-CE2 3.23Å; T836-F898 WeakPolarHBondContact O-CZ 3.3Å
837T60.5Low75Confident70 Ų7037.6 Ų37.643%0.42921%0.212SC..THydrogen-bonded Turntrans-105-26.1177.549.40000112.8L835L835-T837 PolarHBondContact O-N 2.83Å
838V59.9Low75Confident59 Ų5937.5 Ų37.536%0.35821%0.211SC..SBendtrans-109128-174.5-176.90000109.8L835 A842L835-V838 PolarHBondContact O-N 3.44Å; V838-A842 HydrophobicContact CG1-CB 4.21Å
839P63.6Low74.8Confident36 Ų3639.4 Ų39.423%0.23422%0.223CC..  trans-63.1139.3174.1-22.233.6000112N841 A842P839-N841 PolarHBondContact O-N 2.99Å; P839-A842 HydrophobicContact CB-CB 4.15Å; P839-A842 HydrophobicContact CG-CB 4.41Å; P839-A842 VanDerWaalsContact O-CB 3.28Å; P839-A842 WeakPolarHBondContact O-CB 3.38Å; P839-A842 PolarHBondContact O-N 3.45Å
840T67.1Low74.7Confident37 Ų3740.5 Ų40.523%0.22723%0.227CC..THydrogen-bonded Turntrans-63-17.8-162.94.30000116.4C833 W843 E883C833-T840 HydrophobicContact CB-CG2 4.06Å; C833-T840 WeakPolarHBondContact SG-CG2 3.32Å; T840-W843 PolarHBondContact O-NE1 3.34Å; T840-E883 WeakPolarHBondContact CB-OE2 3.23Å; T840-E883 HydrophobicContact CG2-CG 4.17Å; T840-E883 WeakPolarHBondContact CG2-OE2 3.49Å; T840-E883 PolarHBondContact OG1-OE2 3.24Å
841N77.5Confident74.8Confident12 Ų1235.2 Ų35.26%0.06420%0.203CC..THydrogen-bonded Turntrans-108.8-2.5174.8-70.7-19.1000113.2P839 W843 I844 N845 A882 E883 Q910P839-N841 PolarHBondContact O-N 2.99Å; N841-W843 PolarHBondContact O-N 2.94Å; N841-I844 WeakPolarHBondContact O-CB 3.27Å; N841-I844 PolarHBondContact O-N 3.16Å; N841-N845 PolarHBondContact O-N 3.28Å; N841-A882 WeakPolarHBondContact OD1-CA 3.5Å; N841-E883 PolarHBondContact ND2-O 3.19Å; N841-E883 PolarHBondContact OD1-N 2.92Å; N841-Q910 HydrophobicContact CB-CB 3.73Å
842A76.6Confident75Confident18 Ų1834.8 Ų34.815%0.14920%0.202CC..Hα-helixtrans-66.7-37.5-173.500000113.5V838 P839 N845 Q846 Q910V838-A842 HydrophobicContact CG1-CB 4.21Å; P839-A842 HydrophobicContact CB-CB 4.15Å; P839-A842 HydrophobicContact CG-CB 4.41Å; P839-A842 VanDerWaalsContact O-CB 3.28Å; P839-A842 WeakPolarHBondContact O-CB 3.38Å; P839-A842 PolarHBondContact O-N 3.45Å; A842-N845 VanDerWaalsContact O-CB 3.25Å; A842-N845 WeakPolarHBondContact O-CB 3.34Å; A842-N845 PolarHBondContact O-N 2.71Å; A842-Q846 WeakPolarHBondContact O-CG 3.35Å; A842-Q846 PolarHBondContact O-N 3.15Å; A842-Q910 HydrophobicContact CB-CG 4.26Å
843W75.3Confident75.2Confident13 Ų1336.8 Ų36.85%0.04921%0.214CC..Hα-helixtrans-73.6-33.9176.564.6-79.3000111.4F825 F828 H829 T840 N841 N845 Q846 L847F825-W843 AromaticContact CD2-CH2 3.87Å; F825-W843 HydrophobicContact CD2-CH2 3.87Å; F825-W843 AromaticContact CD2-CZ3 3.69Å; F825-W843 HydrophobicContact CD2-CZ3 3.69Å; F825-W843 AromaticContact CE1-CH2 3.95Å; F825-W843 HydrophobicContact CE1-CH2 3.95Å; F825-W843 HydrophobicContact CE2-CE3 4.25Å; F825-W843 AromaticContact CE2-CH2 3.21Å; F825-W843 HydrophobicContact CE2-CH2 3.21Å; F825-W843 HydrophobicContact CE2-CZ2 4.41Å; F825-W843 AromaticContact CE2-CZ3 3.11Å; F825-W843 HydrophobicContact CE2-CZ3 3.11Å; F825-W843 HydrophobicContact CG-CH2 4.47Å; F825-W843 AromaticContact CZ-CH2 3.23Å; F825-W843 HydrophobicContact CZ-CH2 3.23Å; F825-W843 HydrophobicContact CZ-CZ2 4.16Å; F825-W843 AromaticContact CZ-CZ3 3.68Å; F825-W843 HydrophobicContact CZ-CZ3 3.68Å; F828-W843 AromaticContact CD1-CE3 3.92Å; F828-W843 HydrophobicContact CD1-CE3 3.92Å; F828-W843 HydrophobicContact CD1-CH2 4.4Å; F828-W843 AromaticContact CD1-CZ3 3.53Å; F828-W843 HydrophobicContact CD1-CZ3 3.53Å; F828-W843 HydrophobicContact CE1-CD2 4.41Å; F828-W843 AromaticContact CE1-CE3 3.38Å; F828-W843 HydrophobicContact CE1-CE3 3.38Å; F828-W843 AromaticContact CE1-CZ3 3.5Å; F828-W843 HydrophobicContact CE1-CZ3 3.5Å; F828-W843 VanDerWaalsContact CE1-CZ3 3.5Å; F828-W843 HydrophobicContact CZ-CE3 4.12Å; H829-W843 HydrophobicContact CB-CH2 3.64Å; H829-W843 HydrophobicContact CB-CZ2 3.64Å; H829-W843 AromaticContact CE1-CZ2 3.77Å; H829-W843 AromaticContact CG-CH2 3.9Å; H829-W843 AromaticContact CG-CZ2 3.38Å; H829-W843 AromaticContact ND1-CE2 3.75Å; H829-W843 AromaticContact ND1-CZ2 3.18Å; H829-W843 WeakPolarHBondContact ND1-CZ2 3.34Å; H829-W843 AromaticContact ND1-NE1 3.86Å; T840-W843 PolarHBondContact O-NE1 3.34Å; N841-W843 PolarHBondContact O-N 2.94Å; W843-N845 VanDerWaalsContact C-N 3.3Å; W843-N845 PolarHBondContact O-N 3.48Å; W843-Q846 PolarHBondContact O-N 2.94Å; W843-L847 WeakPolarHBondContact O-CB 3.46Å; W843-L847 PolarHBondContact O-N 3.04Å
844I82.8Confident75.3Confident0 Ų034.6 Ų34.60%020%0.199CC..Hα-helixtrans-60.1-42.5168.2-50.9-177.6000110.2F825 N841 S848 L878 A882F825-I844 HydrophobicContact CZ-CD1 4.49Å; F825-I844 HydrophobicContact CZ-CG1 4.27Å; N841-I844 WeakPolarHBondContact O-CB 3.27Å; N841-I844 PolarHBondContact O-N 3.16Å; I844-S848 VanDerWaalsContact O-CB 3.23Å; I844-S848 WeakPolarHBondContact O-CB 3.45Å; I844-S848 PolarHBondContact O-N 3.16Å; I844-S848 PolarHBondContact O-OG 2.97Å; I844-L878 HydrophobicContact CG2-CB 4.14Å; I844-A882 HydrophobicContact CD1-CB 3.74Å
845N83.5Confident75.6Confident23 Ų2330.2 Ų30.212%0.12318%0.176CC..Hα-helixtrans-59-49.2175.3-163.766.7000111.3N841 A842 W843 S848 V849 Q910 T912 G913N841-N845 PolarHBondContact O-N 3.28Å; A842-N845 VanDerWaalsContact O-CB 3.25Å; A842-N845 WeakPolarHBondContact O-CB 3.34Å; A842-N845 PolarHBondContact O-N 2.71Å; W843-N845 VanDerWaalsContact C-N 3.3Å; W843-N845 PolarHBondContact O-N 3.48Å; N845-S848 PolarHBondContact O-N 3.49Å; N845-V849 WeakPolarHBondContact O-CG2 3.35Å; N845-V849 PolarHBondContact O-N 2.73Å; N845-Q910 HydrophobicContact CB-CB 4.3Å; N845-Q910 VanDerWaalsContact CB-O 3.25Å; N845-Q910 WeakPolarHBondContact CB-O 3.08Å; N845-Q910 PolarHBondContact OD1-O 3.37Å; N845-T912 PolarHBondContact OD1-N 3.44Å; N845-G913 PolarHBondContact OD1-N 3Å
846Q80.8Confident76.2Confident53 Ų5332.1 Ų32.125%0.24819%0.186CC..Hα-helixtrans-62.6-49.1179.4-71.9177-5.700112.4Q717 A842 W843 S848 V849 K850Q717-Q846 VanDerWaalsContact CD-NE2 3.31Å; A842-Q846 WeakPolarHBondContact O-CG 3.35Å; A842-Q846 PolarHBondContact O-N 3.15Å; W843-Q846 PolarHBondContact O-N 2.94Å; Q846-S848 VanDerWaalsContact C-N 3.29Å; Q846-S848 PolarHBondContact O-N 3.37Å; Q846-V849 PolarHBondContact O-N 3.19Å; Q846-K850 WeakPolarHBondContact O-CG 3.37Å; Q846-K850 PolarHBondContact O-N 3.27Å
847L83.9Confident76.8Confident4 Ų427.4 Ų27.42%0.02116%0.157CC..Hα-helixtrans-61-39.4177.8-173.164.7000111.6L780 L781 F825 W843 K850 L851 F874 L878L780-L847 HydrophobicContact CD1-CD2 4.37Å; L781-L847 HydrophobicContact CD1-CD1 3.89Å; L781-L847 HydrophobicContact CD2-CD1 3.74Å; L781-L847 HydrophobicContact CG-CD1 3.79Å; F825-L847 HydrophobicContact CD2-CD2 4.19Å; F825-L847 HydrophobicContact CE2-CD2 3.8Å; W843-L847 WeakPolarHBondContact O-CB 3.46Å; W843-L847 PolarHBondContact O-N 3.04Å; L847-K850 PolarHBondContact O-N 2.74Å; L847-L851 PolarHBondContact O-N 2.85Å; L847-F874 HydrophobicContact CD2-CE1 3.9Å; L847-F874 HydrophobicContact CD2-CZ 3.92Å; L847-F874 HydrophobicContact CG-CE1 4.48Å; L847-L878 HydrophobicContact CD2-CD2 3.94Å
848S86.4Confident77.3Confident0 Ų025.1 Ų25.10%014%0.141CC..Hα-helixtrans-68.8-38176.9-56.80000112.7I844 N845 Q846 L851 S852 G913I844-S848 VanDerWaalsContact O-CB 3.23Å; I844-S848 WeakPolarHBondContact O-CB 3.45Å; I844-S848 PolarHBondContact O-N 3.16Å; I844-S848 PolarHBondContact O-OG 2.97Å; N845-S848 PolarHBondContact O-N 3.49Å; Q846-S848 VanDerWaalsContact C-N 3.29Å; Q846-S848 PolarHBondContact O-N 3.37Å; S848-L851 PolarHBondContact O-N 2.8Å; S848-S852 WeakPolarHBondContact O-CB 3.38Å; S848-S852 PolarHBondContact O-N 3.47Å; S848-G913 WeakPolarHBondContact CB-O 3.32Å
849V82.8Confident77.5Confident46 Ų4624 Ų2428%0.27914%0.138SC..Hα-helixtrans-62.8-48.1172.4168.70000110.3N845 Q846 L851 S852 T853N845-V849 WeakPolarHBondContact O-CG2 3.35Å; N845-V849 PolarHBondContact O-N 2.73Å; Q846-V849 PolarHBondContact O-N 3.19Å; V849-L851 VanDerWaalsContact C-N 3.31Å; V849-L851 PolarHBondContact O-N 3.48Å; V849-S852 PolarHBondContact O-N 3.08Å; V849-T853 PolarHBondContact O-N 3.09Å; V849-T853 PolarHBondContact O-OG1 3.44Å; V849-T853 VanDerWaalsContact O-OG1 3.09Å
850K80.8Confident77.5Confident37 Ų3727.6 Ų27.616%0.16116%0.161CC..Hα-helixtrans-54.4-45.6176.7-74.4174.4174.9171.60111.9E777 Q846 L847 L854E777-K850 IonicContact OE1-NZ 2.78Å; E777-K850 PolarHBondContact OE1-NZ 3.49Å; E777-K850 IonicContact OE2-NZ 3.01Å; E777-K850 PolarHBondContact OE2-NZ 3.43Å; Q846-K850 WeakPolarHBondContact O-CG 3.37Å; Q846-K850 PolarHBondContact O-N 3.27Å; L847-K850 PolarHBondContact O-N 2.74Å; K850-L854 WeakPolarHBondContact O-CB 3.24Å; K850-L854 PolarHBondContact O-N 3.37Å
851L84.1Confident77.5Confident0 Ų031.2 Ų31.20%017%0.174CC..Hα-helixtrans-67.6-36.6174.9-78.9169.3000113.8L781 F784 L847 S848 V849 L854 I855 F874 L878 L917L781-L851 HydrophobicContact CD2-CD1 4.13Å; L781-L851 HydrophobicContact CD2-CD2 3.57Å; L781-L851 HydrophobicContact CD2-CG 3.66Å; F784-L851 HydrophobicContact CD2-CD2 3.76Å; F784-L851 HydrophobicContact CE2-CD2 3.8Å; L847-L851 PolarHBondContact O-N 2.85Å; S848-L851 PolarHBondContact O-N 2.8Å; V849-L851 VanDerWaalsContact C-N 3.31Å; V849-L851 PolarHBondContact O-N 3.48Å; L851-L854 HydrophobicContact CD2-CD2 4.33Å; L851-L854 WeakPolarHBondContact O-CB 3.33Å; L851-L854 PolarHBondContact O-N 2.95Å; L851-I855 WeakPolarHBondContact O-CG1 3.18Å; L851-I855 PolarHBondContact O-N 3.5Å; L851-I855 VanDerWaalsContact O-N 3.1Å; L851-F874 HydrophobicContact CD1-CD1 3.92Å; L851-F874 HydrophobicContact CD1-CE1 3.99Å; L851-L878 HydrophobicContact CD1-CD1 4.48Å; L851-L917 HydrophobicContact CB-CD1 3.81Å; L851-L917 HydrophobicContact CB-CD2 3.64Å; L851-L917 HydrophobicContact CB-CG 4.38Å; L851-L917 HydrophobicContact CD1-CD2 3.92Å; L851-L917 HydrophobicContact CG-CD2 4.44Å
852S83.4Confident77.1Confident9 Ų930.6 Ų30.66%0.06317%0.171CC..Hα-helixtrans-66.1-42.9177.4-162.80000110.8S848 V849 I855 L856 S920S848-S852 WeakPolarHBondContact O-CB 3.38Å; S848-S852 PolarHBondContact O-N 3.47Å; V849-S852 PolarHBondContact O-N 3.08Å; S852-I855 PolarHBondContact O-N 2.92Å; S852-L856 VanDerWaalsContact O-CG 3.29Å; S852-L856 WeakPolarHBondContact O-CG 3.24Å; S852-L856 PolarHBondContact O-N 3.17Å; S852-L856 VanDerWaalsContact O-N 3.12Å; S852-S920 PolarHBondContact OG-OG 2.84Å
853T79.1Confident76.5Confident50 Ų5032 Ų3231%0.30717%0.174SC..Hα-helixtrans-65.6-38176.3-54.40000111.7L727 V849 L856 S857L727-T853 HydrophobicContact CD1-CG2 3.58Å; V849-T853 PolarHBondContact O-N 3.09Å; V849-T853 PolarHBondContact O-OG1 3.44Å; V849-T853 VanDerWaalsContact O-OG1 3.09Å; T853-L856 PolarHBondContact O-N 3.34Å; T853-S857 PolarHBondContact O-N 3.33Å; T853-S857 PolarHBondContact O-OG 3.01Å
854L75.2Confident76Confident4 Ų436.2 Ų36.22%0.02119%0.194CC..Hα-helixtrans-59.4-45.8173.1-178.766.1000113W785 K850 L851 L856 S857 Y858W785-L854 HydrophobicContact CE3-CD2 4.4Å; W785-L854 HydrophobicContact CH2-CD1 3.68Å; W785-L854 HydrophobicContact CH2-CD2 3.34Å; W785-L854 HydrophobicContact CH2-CG 4.07Å; W785-L854 HydrophobicContact CZ2-CD1 3.18Å; W785-L854 HydrophobicContact CZ2-CD2 3.73Å; W785-L854 HydrophobicContact CZ2-CG 4.05Å; W785-L854 HydrophobicContact CZ3-CD2 3.68Å; K850-L854 WeakPolarHBondContact O-CB 3.24Å; K850-L854 PolarHBondContact O-N 3.37Å; L851-L854 HydrophobicContact CD2-CD2 4.33Å; L851-L854 WeakPolarHBondContact O-CB 3.33Å; L851-L854 PolarHBondContact O-N 2.95Å; L854-L856 VanDerWaalsContact C-N 3.26Å; L854-L856 PolarHBondContact O-N 3.07Å; L854-S857 PolarHBondContact O-N 3.03Å; L854-S857 PolarHBondContact O-OG 3.35Å; L854-Y858 HydrophobicContact CD1-CD2 4.27Å; L854-Y858 HydrophobicContact CD1-CE2 3.56Å; L854-Y858 HydrophobicContact CG-CE2 4.19Å; L854-Y858 WeakPolarHBondContact O-CD2 3.39Å
855I78.3Confident75.2Confident0 Ų038.4 Ų38.40%021%0.205CC..Hα-helixtrans-64.2-37.1178.4-72.5172.4000110.5L851 S852 V862 L868 I871 L917 L921 Y924L851-I855 WeakPolarHBondContact O-CG1 3.18Å; L851-I855 PolarHBondContact O-N 3.5Å; L851-I855 VanDerWaalsContact O-N 3.1Å; S852-I855 PolarHBondContact O-N 2.92Å; I855-V862 HydrophobicContact CG2-CG1 4.21Å; I855-V862 WeakPolarHBondContact O-CG2 3.33Å; I855-L868 HydrophobicContact CD1-CD2 4.39Å; I855-L868 HydrophobicContact CG1-CD2 4.37Å; I855-I871 HydrophobicContact CD1-CD1 4.17Å; I855-I871 HydrophobicContact CD1-CG2 4.4Å; I855-I871 HydrophobicContact CG1-CD1 4.21Å; I855-L917 HydrophobicContact CD1-CD1 3.64Å; I855-L921 HydrophobicContact CD1-CD2 3.62Å; I855-L921 HydrophobicContact CD1-CG 3.8Å; I855-Y924 HydrophobicContact CG2-CD2 3.36Å; I855-Y924 HydrophobicContact CG2-CE2 3.79Å; I855-Y924 HydrophobicContact CG2-CG 4.36Å
856L79.2Confident74.6Confident89 Ų8937.3 Ų37.347%0.46620%0.2SC..Hα-helixtrans-71.3-33.2176.1-67.2167.7000112.7S852 T853 L854 Y858 A859 Y924S852-L856 VanDerWaalsContact O-CG 3.29Å; S852-L856 WeakPolarHBondContact O-CG 3.24Å; S852-L856 PolarHBondContact O-N 3.17Å; S852-L856 VanDerWaalsContact O-N 3.12Å; T853-L856 PolarHBondContact O-N 3.34Å; L854-L856 VanDerWaalsContact C-N 3.26Å; L854-L856 PolarHBondContact O-N 3.07Å; L856-Y858 VanDerWaalsContact C-N 3.28Å; L856-Y858 PolarHBondContact O-N 3.13Å; L856-A859 VanDerWaalsContact O-CB 3.25Å; L856-A859 WeakPolarHBondContact O-CB 2.92Å; L856-A859 PolarHBondContact O-N 3.37Å; L856-A859 VanDerWaalsContact O-N 3.09Å; L856-Y924 HydrophobicContact CD2-CE2 4.18Å
857S72.2Confident74.4Confident15 Ų1535.7 Ų35.711%0.10519%0.192CC..Hα-helixtrans-72-14.9-179.464.60000114.7L729 C732 T853 L854L729-S857 WeakPolarHBondContact CD1-O 3.48Å; C732-S857 PolarHBondContact SG-OG 3.48Å; T853-S857 PolarHBondContact O-N 3.33Å; T853-S857 PolarHBondContact O-OG 3.01Å; L854-S857 PolarHBondContact O-N 3.03Å; L854-S857 PolarHBondContact O-OG 3.35Å
858Y70.5Confident74.1Confident23 Ų2335.7 Ų35.79%0.0919%0.192CC..THydrogen-bonded Turntrans-1035.5168.5-60.6-72.4000113.5C732 P733 V735 W785 L854 L856 P860 K861 V862 N865 V866C732-Y858 VanDerWaalsContact SG-CZ 3.51Å; C732-Y858 PolarHBondContact SG-OH 3.09Å; C732-Y858 VanDerWaalsContact SG-OH 3.34Å; P733-Y858 PolarHBondContact O-OH 3.09Å; V735-Y858 HydrophobicContact CG2-CE1 4.32Å; V735-Y858 HydrophobicContact CG2-CE2 4.12Å; V735-Y858 WeakPolarHBondContact CG2-OH 3.4Å; W785-Y858 PolarHBondContact NE1-OH 3.29Å; L854-Y858 HydrophobicContact CD1-CD2 4.27Å; L854-Y858 HydrophobicContact CD1-CE2 3.56Å; L854-Y858 HydrophobicContact CG-CE2 4.19Å; L854-Y858 WeakPolarHBondContact O-CD2 3.39Å; L856-Y858 VanDerWaalsContact C-N 3.28Å; L856-Y858 PolarHBondContact O-N 3.13Å; Y858-P860 CarbonylContact O-C 3.27Å; Y858-K861 CarbonylContact O-C 3.2Å; Y858-K861 VanDerWaalsContact O-CA 3.32Å; Y858-K861 WeakPolarHBondContact O-CA 3.48Å; Y858-K861 PolarHBondContact O-N 3.01Å; Y858-V862 PolarHBondContact O-N 3.3Å; Y858-V862 VanDerWaalsContact O-N 3.14Å; Y858-N865 HydrophobicContact CD1-CB 3.83Å; Y858-N865 HydrophobicContact CD2-CB 4.46Å; Y858-N865 HydrophobicContact CE1-CB 4.2Å; Y858-N865 HydrophobicContact CG-CB 3.98Å; Y858-V866 HydrophobicContact CD2-CG2 3.39Å; Y858-V866 HydrophobicContact CE2-CG2 3.68Å; Y858-V866 HydrophobicContact CG-CG2 4.17Å
859A65.3Low73.7Confident35 Ų3536.6 Ų36.629%0.28920%0.197SC..  trans-68.5139.2-178.700000112L856 V862 Y924L856-A859 VanDerWaalsContact O-CB 3.25Å; L856-A859 WeakPolarHBondContact O-CB 2.92Å; L856-A859 PolarHBondContact O-N 3.37Å; L856-A859 VanDerWaalsContact O-N 3.09Å; A859-V862 HydrophobicContact CB-CG2 4.29Å; A859-Y924 HydrophobicContact CB-CE1 3.91Å; A859-Y924 HydrophobicContact CB-CE2 4.43Å; A859-Y924 VanDerWaalsContact CB-OH 3.22Å; A859-Y924 WeakPolarHBondContact CB-OH 3.28Å
860P62.6Low73.7Confident112 Ų11234.4 Ų34.473%0.72718%0.183SC*.SBendcis-85-9.5-0.534.6-36.3000114.5Y858 V862Y858-P860 CarbonylContact O-C 3.27Å; P860-V862 PolarHBondContact O-N 3.49Å
861K67.8Low73.9Confident112 Ų11232.6 Ų32.649%0.48718%0.176SC..  trans-75.535.4-176.9-73.2177.8160.7-74.60114.2Y858 F863 E864 N865Y858-K861 CarbonylContact O-C 3.2Å; Y858-K861 VanDerWaalsContact O-CA 3.32Å; Y858-K861 WeakPolarHBondContact O-CA 3.48Å; Y858-K861 PolarHBondContact O-N 3.01Å; K861-F863 VanDerWaalsContact C-N 3.28Å; K861-F863 PolarHBondContact O-N 3.04Å; K861-E864 IonicContact NZ-OE1 2.71Å; K861-E864 PolarHBondContact NZ-OE1 3.46Å; K861-E864 IonicContact NZ-OE2 2.72Å; K861-E864 PolarHBondContact NZ-OE2 3.25Å; K861-E864 PolarHBondContact O-N 2.89Å; K861-N865 PolarHBondContact O-ND2 3.24Å
862V68.3Low73.9Confident0 Ų032.6 Ų32.60%018%0.176CC..Hα-helixtrans-60-39.2-175.4-1700000111.4I855 Y858 A859 P860 N865 V866 L868 Y924I855-V862 HydrophobicContact CG2-CG1 4.21Å; I855-V862 WeakPolarHBondContact O-CG2 3.33Å; Y858-V862 PolarHBondContact O-N 3.3Å; Y858-V862 VanDerWaalsContact O-N 3.14Å; A859-V862 HydrophobicContact CB-CG2 4.29Å; P860-V862 PolarHBondContact O-N 3.49Å; V862-N865 PolarHBondContact O-N 3.27Å; V862-V866 HydrophobicContact CG1-CB 4.33Å; V862-V866 HydrophobicContact CG1-CG2 4.46Å; V862-V866 PolarHBondContact O-N 2.57Å; V862-L868 HydrophobicContact CG1-CD1 4.17Å; V862-L868 HydrophobicContact CG1-CD2 3.81Å; V862-L868 HydrophobicContact CG1-CG 4.29Å; V862-Y924 HydrophobicContact CB-CG 4.36Å; V862-Y924 HydrophobicContact CG2-CD1 3.69Å; V862-Y924 HydrophobicContact CG2-CD2 4.05Å; V862-Y924 HydrophobicContact CG2-CE1 4.04Å; V862-Y924 HydrophobicContact CG2-CE2 4.38Å; V862-Y924 HydrophobicContact CG2-CG 3.73Å
863F65Low73.9Confident48 Ų4833.3 Ų33.321%0.21118%0.177CC..Hα-helixtrans-65.5-41.4-178.6-67.6-64.4000115.1A789 S790 K861 N865 L868 Y924 P926A789-F863 WeakPolarHBondContact CB-O 3.24Å; S790-F863 PolarHBondContact N-O 2.71Å; K861-F863 VanDerWaalsContact C-N 3.28Å; K861-F863 PolarHBondContact O-N 3.04Å; F863-N865 PolarHBondContact O-N 3.17Å; F863-N865 VanDerWaalsContact O-N 3.13Å; F863-L868 HydrophobicContact CD1-CD1 4.37Å; F863-L868 HydrophobicContact CE1-CD1 3.56Å; F863-L868 HydrophobicContact CE1-CG 4.22Å; F863-L868 HydrophobicContact CZ-CD1 3.9Å; F863-Y924 WeakPolarHBondContact CE2-O 3.47Å; F863-Y924 WeakPolarHBondContact CZ-O 3.38Å; F863-P926 HydrophobicContact CD1-CG 4.03Å; F863-P926 HydrophobicContact CE1-CB 4Å; F863-P926 HydrophobicContact CE1-CG 3.4Å; F863-P926 VanDerWaalsContact CE1-CG 3.4Å; F863-P926 HydrophobicContact CE2-CB 4.02Å; F863-P926 HydrophobicContact CE2-CG 4.35Å; F863-P926 HydrophobicContact CZ-CB 3.66Å; F863-P926 VanDerWaalsContact CZ-CD 3.44Å; F863-P926 HydrophobicContact CZ-CG 3.58Å
864E63.5Low74.4Confident101 Ų10130.9 Ų30.947%0.47216%0.162SC..Hα-helixtrans-66.4-13.1-179-62.5174.8-159.900112.3A789 K861A789-E864 VanDerWaalsContact CB-O 3.29Å; A789-E864 WeakPolarHBondContact CB-O 3.16Å; K861-E864 IonicContact NZ-OE1 2.71Å; K861-E864 PolarHBondContact NZ-OE1 3.46Å; K861-E864 IonicContact NZ-OE2 2.72Å; K861-E864 PolarHBondContact NZ-OE2 3.25Å; K861-E864 PolarHBondContact O-N 2.89Å
865N66Low74.9Confident45 Ų4530.7 Ų30.724%0.24116%0.161CC..Hα-helixtrans-116.6-55.1-176.4-65.1-76.7000112V735 G788 A789 Y858 K861 V862 F863V735-N865 HydrophobicContact CB-CB 4.49Å; V735-N865 WeakPolarHBondContact CB-O 3.41Å; V735-N865 WeakPolarHBondContact CG1-O 3.34Å; V735-N865 HydrophobicContact CG2-CB 4.13Å; G788-N865 CarbonylContact C-O 3.1Å; A789-N865 WeakPolarHBondContact CA-O 3.27Å; A789-N865 PolarHBondContact N-O 3.46Å; Y858-N865 HydrophobicContact CD1-CB 3.83Å; Y858-N865 HydrophobicContact CD2-CB 4.46Å; Y858-N865 HydrophobicContact CE1-CB 4.2Å; Y858-N865 HydrophobicContact CG-CB 3.98Å; K861-N865 PolarHBondContact O-ND2 3.24Å; V862-N865 PolarHBondContact O-N 3.27Å; F863-N865 PolarHBondContact O-N 3.17Å; F863-N865 VanDerWaalsContact O-N 3.13Å
866V71.4Confident75.4Confident1 Ų132.5 Ų32.51%0.00617%0.17CC..  trans-108.1141.7-162.4-171.40000113G788 S790 Y858 V862 L868 I871G788-V866 CarbonylContact O-C 3.56Å; S790-V866 PolarHBondContact N-O 2.94Å; S790-V866 PolarHBondContact OG-O 3.36Å; Y858-V866 HydrophobicContact CD2-CG2 3.39Å; Y858-V866 HydrophobicContact CE2-CG2 3.68Å; Y858-V866 HydrophobicContact CG-CG2 4.17Å; V862-V866 HydrophobicContact CG1-CB 4.33Å; V862-V866 HydrophobicContact CG1-CG2 4.46Å; V862-V866 PolarHBondContact O-N 2.57Å; V866-L868 HydrophobicContact CB-CD2 4.29Å; V866-L868 HydrophobicContact CG1-CD2 4.06Å; V866-L868 PolarHBondContact O-N 2.89Å; V866-I871 HydrophobicContact CG1-CD1 3.48Å; V866-I871 VanDerWaalsContact CG1-CD1 3.48Å; V866-I871 HydrophobicContact CG1-CG1 4.48Å
867N77.7Confident75.7Confident18 Ų1828.7 Ų28.710%0.09615%0.15CC..  trans-80.889.2172.6-165.7-43.3000111.6A787 G788 S790 H869 L870 I871A787-N867 HydrophobicContact CB-CB 4.17Å; G788-N867 WeakPolarHBondContact O-CB 3.42Å; G788-N867 PolarHBondContact O-N 2.97Å; G788-N867 VanDerWaalsContact O-N 3.15Å; S790-N867 WeakPolarHBondContact OG-CA 3.31Å; N867-H869 VanDerWaalsContact C-N 3.29Å; N867-H869 PolarHBondContact O-N 3.26Å; N867-H869 PolarHBondContact OD1-N 3.33Å; N867-L870 HydrophobicContact CB-CB 4.29Å; N867-L870 PolarHBondContact O-N 3.44Å; N867-L870 PolarHBondContact OD1-N 3.1Å; N867-L870 VanDerWaalsContact OD1-N 3.11Å; N867-I871 PolarHBondContact O-N 3.2Å
868L76.7Confident76.4Confident4 Ų428 Ų282%0.02115%0.145CC..Hα-helixtrans-69.3-23.4-176.6-64.1-164.9000113.6S790 I855 V862 F863 V866 I871 S872 L921 I925S790-L868 PolarHBondContact OG-N 3.5Å; I855-L868 HydrophobicContact CD1-CD2 4.39Å; I855-L868 HydrophobicContact CG1-CD2 4.37Å; V862-L868 HydrophobicContact CG1-CD1 4.17Å; V862-L868 HydrophobicContact CG1-CD2 3.81Å; V862-L868 HydrophobicContact CG1-CG 4.29Å; F863-L868 HydrophobicContact CD1-CD1 4.37Å; F863-L868 HydrophobicContact CE1-CD1 3.56Å; F863-L868 HydrophobicContact CE1-CG 4.22Å; F863-L868 HydrophobicContact CZ-CD1 3.9Å; V866-L868 HydrophobicContact CB-CD2 4.29Å; V866-L868 HydrophobicContact CG1-CD2 4.06Å; V866-L868 PolarHBondContact O-N 2.89Å; L868-I871 HydrophobicContact CD2-CD1 4.1Å; L868-I871 PolarHBondContact O-N 2.86Å; L868-S872 PolarHBondContact O-N 3.06Å; L868-S872 PolarHBondContact O-OG 2.88Å; L868-S872 VanDerWaalsContact O-OG 3.09Å; L868-L921 HydrophobicContact CD2-CD2 4.2Å; L868-I925 HydrophobicContact CB-CG1 4.22Å; L868-I925 HydrophobicContact CD1-CG1 3.84Å
869H77.8Confident77.1Confident19 Ų1926.9 Ų26.99%0.08814%0.141CC..Hα-helixtrans-66.9-41.6175.5-176.423.6000111.4F811 N867 S872 R873 H992 G993 D996F811-H869 AromaticContact CD2-NE2 3.79Å; F811-H869 AromaticContact CE2-NE2 3.59Å; N867-H869 VanDerWaalsContact C-N 3.29Å; N867-H869 PolarHBondContact O-N 3.26Å; N867-H869 PolarHBondContact OD1-N 3.33Å; H869-S872 PolarHBondContact O-N 3.37Å; H869-R873 PolarHBondContact CE1-NE 3.12Å; H869-R873 VanDerWaalsContact NE2-CZ 3.27Å; H869-R873 PolarHBondContact NE2-NH2 3.35Å; H869-R873 WeakPolarHBondContact O-CG 3.34Å; H869-R873 PolarHBondContact O-N 3.36Å; H869-H992 VanDerWaalsContact CE1-CB 3.5Å; H869-H992 WeakPolarHBondContact CE1-CB 3.47Å; H869-G993 WeakPolarHBondContact ND1-CA 3.41Å; H869-G993 PolarHBondContact ND1-N 3.15Å; H869-D996 IonicContact CE1-OD2 2.73Å; H869-D996 PolarHBondContact CE1-OD2 3.29Å; H869-D996 IonicContact ND1-OD2 2.89Å; H869-D996 PolarHBondContact ND1-OD2 3.06Å; H869-D996 VanDerWaalsContact ND1-OD2 3.12Å
870L82.9Confident78Confident0 Ų030.1 Ų30.10%015%0.15CC..Hα-helixtrans-63.6-41.6175.2-167.267.4000111.2P783 F784 A787 S814 I817 N867 R873 F874P783-L870 HydrophobicContact CB-CD2 3.82Å; F784-L870 HydrophobicContact CD1-CB 4.33Å; F784-L870 HydrophobicContact CD1-CD2 3.93Å; F784-L870 HydrophobicContact CD1-CG 4.13Å; F784-L870 HydrophobicContact CE1-CB 4.19Å; F784-L870 HydrophobicContact CE1-CD2 4.01Å; F784-L870 HydrophobicContact CE1-CG 3.8Å; A787-L870 HydrophobicContact CB-CD2 3.99Å; S814-L870 WeakPolarHBondContact O-CD1 3.3Å; I817-L870 HydrophobicContact CB-CD1 4.3Å; I817-L870 HydrophobicContact CG2-CD1 3.99Å; I817-L870 HydrophobicContact CG2-CD2 4.09Å; N867-L870 HydrophobicContact CB-CB 4.29Å; N867-L870 PolarHBondContact O-N 3.44Å; N867-L870 PolarHBondContact OD1-N 3.1Å; N867-L870 VanDerWaalsContact OD1-N 3.11Å; L870-R873 PolarHBondContact O-N 2.87Å; L870-F874 PolarHBondContact O-N 2.86Å
871I84.7Confident78.9Confident0 Ų026 Ų260%012%0.124CC..Hα-helixtrans-64.5-45.2175.9-57.9177.3000111F784 I855 V866 N867 L868 R873 F874 V875 L917 L921F784-I871 HydrophobicContact CD1-CB 4.47Å; F784-I871 HydrophobicContact CD1-CD1 4.24Å; F784-I871 HydrophobicContact CD1-CG1 3.35Å; F784-I871 HydrophobicContact CE1-CB 4.22Å; F784-I871 HydrophobicContact CE1-CG1 3.53Å; F784-I871 HydrophobicContact CG-CD1 4.42Å; F784-I871 HydrophobicContact CG-CG1 3.95Å; F784-I871 HydrophobicContact CZ-CG1 4.27Å; I855-I871 HydrophobicContact CD1-CD1 4.17Å; I855-I871 HydrophobicContact CD1-CG2 4.4Å; I855-I871 HydrophobicContact CG1-CD1 4.21Å; V866-I871 HydrophobicContact CG1-CD1 3.48Å; V866-I871 VanDerWaalsContact CG1-CD1 3.48Å; V866-I871 HydrophobicContact CG1-CG1 4.48Å; N867-I871 PolarHBondContact O-N 3.2Å; L868-I871 HydrophobicContact CD2-CD1 4.1Å; L868-I871 PolarHBondContact O-N 2.86Å; I871-R873 VanDerWaalsContact C-N 3.29Å; I871-R873 PolarHBondContact O-N 3.42Å; I871-F874 PolarHBondContact O-N 3.24Å; I871-F874 VanDerWaalsContact O-N 3.15Å; I871-V875 HydrophobicContact CG2-CG2 3.89Å; I871-V875 WeakPolarHBondContact O-CB 3.23Å; I871-V875 VanDerWaalsContact O-CG2 3.3Å; I871-V875 WeakPolarHBondContact O-CG2 3.32Å; I871-V875 PolarHBondContact O-N 2.84Å; I871-L917 HydrophobicContact CG2-CD1 4.48Å; I871-L921 HydrophobicContact CB-CD2 4.11Å; I871-L921 HydrophobicContact CG2-CD1 4.03Å; I871-L921 HydrophobicContact CG2-CD2 3.86Å; I871-L921 HydrophobicContact CG2-CG 4.42Å
872S83.7Confident79.4Confident0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-57.1-41.7179.5-64.30000112.7L868 H869 V875 H876 I925 G993L868-S872 PolarHBondContact O-N 3.06Å; L868-S872 PolarHBondContact O-OG 2.88Å; L868-S872 VanDerWaalsContact O-OG 3.09Å; H869-S872 PolarHBondContact O-N 3.37Å; S872-V875 PolarHBondContact O-N 3.18Å; S872-H876 PolarHBondContact O-N 3.22Å; S872-I925 WeakPolarHBondContact OG-CD1 3.44Å; S872-G993 WeakPolarHBondContact CB-O 3.34Å; S872-G993 PolarHBondContact OG-O 3.42Å
873R84.7Confident79.5Confident23 Ų2325.6 Ų25.69%0.08713%0.125CC..Hα-helixtrans-66.8-42.9175.8-67.8175.7159.3168.8-6.5112.7S814 S818 H869 L870 I871 V875 H876 C877 D996S814-R873 PolarHBondContact OG-NH1 2.86Å; S814-R873 VanDerWaalsContact OG-NH1 3.09Å; S818-R873 VanDerWaalsContact OG-CB 3.23Å; S818-R873 WeakPolarHBondContact OG-CB 3.43Å; H869-R873 PolarHBondContact CE1-NE 3.12Å; H869-R873 VanDerWaalsContact NE2-CZ 3.27Å; H869-R873 PolarHBondContact NE2-NH2 3.35Å; H869-R873 WeakPolarHBondContact O-CG 3.34Å; H869-R873 PolarHBondContact O-N 3.36Å; L870-R873 PolarHBondContact O-N 2.87Å; I871-R873 VanDerWaalsContact C-N 3.29Å; I871-R873 PolarHBondContact O-N 3.42Å; R873-V875 VanDerWaalsContact C-N 3.33Å; R873-V875 PolarHBondContact O-N 3.31Å; R873-H876 WeakPolarHBondContact O-CB 3.16Å; R873-H876 PolarHBondContact O-N 3Å; R873-C877 PolarHBondContact O-N 3.42Å; R873-C877 VanDerWaalsContact O-N 3.14Å; R873-D996 VanDerWaalsContact CG-OD2 3.25Å; R873-D996 WeakPolarHBondContact CG-OD2 3.12Å; R873-D996 IonicContact NE-OD2 3.69Å
874F88Confident79.5Confident0 Ų028.2 Ų28.20%014%0.14CC..Hα-helixtrans-62.6-42.3176-173.1-117.3000111.2L780 F784 Q821 F825 L847 L851 L870 I871 H876 C877 L878L780-F874 HydrophobicContact CB-CZ 4.34Å; L780-F874 HydrophobicContact CD2-CE2 4.09Å; L780-F874 HydrophobicContact CD2-CZ 4.09Å; F784-F874 HydrophobicContact CE1-CB 4.35Å; F784-F874 HydrophobicContact CE2-CD1 4.08Å; F784-F874 HydrophobicContact CE2-CE1 4.41Å; F784-F874 HydrophobicContact CZ-CB 3.83Å; F784-F874 AromaticContact CZ-CD1 3.67Å; F784-F874 HydrophobicContact CZ-CD1 3.67Å; F784-F874 HydrophobicContact CZ-CE1 4.39Å; F784-F874 AromaticContact CZ-CG 3.81Å; F784-F874 HydrophobicContact CZ-CG 3.81Å; Q821-F874 HydrophobicContact CB-CD2 3.86Å; Q821-F874 HydrophobicContact CB-CE2 4.04Å; F825-F874 HydrophobicContact CB-CE2 4.15Å; F825-F874 HydrophobicContact CD2-CE2 4.2Å; F825-F874 AromaticContact CD2-CZ 3.95Å; F825-F874 HydrophobicContact CD2-CZ 3.95Å; F825-F874 HydrophobicContact CE2-CZ 4.47Å; F825-F874 HydrophobicContact CG-CE2 4.24Å; F825-F874 HydrophobicContact CG-CZ 4.45Å; L847-F874 HydrophobicContact CD2-CE1 3.9Å; L847-F874 HydrophobicContact CD2-CZ 3.92Å; L847-F874 HydrophobicContact CG-CE1 4.48Å; L851-F874 HydrophobicContact CD1-CD1 3.92Å; L851-F874 HydrophobicContact CD1-CE1 3.99Å; L870-F874 PolarHBondContact O-N 2.86Å; I871-F874 PolarHBondContact O-N 3.24Å; I871-F874 VanDerWaalsContact O-N 3.15Å; F874-H876 VanDerWaalsContact C-N 3.33Å; F874-H876 PolarHBondContact O-N 3.12Å; F874-C877 CarbonylContact O-C 3.39Å; F874-C877 WeakPolarHBondContact O-CA 3.3Å; F874-C877 VanDerWaalsContact O-CB 3.29Å; F874-C877 WeakPolarHBondContact O-CB 3.4Å; F874-C877 PolarHBondContact O-N 3.19Å; F874-L878 HydrophobicContact CD1-CD1 4.46Å; F874-L878 HydrophobicContact CD1-CD2 4.13Å; F874-L878 HydrophobicContact CD1-CG 4.27Å; F874-L878 HydrophobicContact CE1-CD1 4.43Å; F874-L878 HydrophobicContact CE1-CD2 3.66Å; F874-L878 HydrophobicContact CE1-CG 4.26Å; F874-L878 HydrophobicContact CE2-CD2 4.39Å; F874-L878 HydrophobicContact CZ-CD2 3.8Å; F874-L878 WeakPolarHBondContact O-CG 3.22Å; F874-L878 PolarHBondContact O-N 3.04Å
875V87.6Confident79Confident0 Ų025.7 Ų25.70%013%0.127CC..Hα-helixtrans-65.2-33.3177168.70000112.8I871 S872 R873 C877 L878 A879 L914 L917 L918 L921 T1000I871-V875 HydrophobicContact CG2-CG2 3.89Å; I871-V875 WeakPolarHBondContact O-CB 3.23Å; I871-V875 VanDerWaalsContact O-CG2 3.3Å; I871-V875 WeakPolarHBondContact O-CG2 3.32Å; I871-V875 PolarHBondContact O-N 2.84Å; S872-V875 PolarHBondContact O-N 3.18Å; R873-V875 VanDerWaalsContact C-N 3.33Å; R873-V875 PolarHBondContact O-N 3.31Å; V875-C877 VanDerWaalsContact C-N 3.34Å; V875-L878 HydrophobicContact CG2-CD1 4.09Å; V875-L878 WeakPolarHBondContact O-CB 3.22Å; V875-L878 PolarHBondContact O-N 2.9Å; V875-A879 PolarHBondContact O-N 2.98Å; V875-L914 HydrophobicContact CG1-CD1 3.98Å; V875-L917 HydrophobicContact CG2-CD2 3.37Å; V875-L917 HydrophobicContact CG2-CG 3.83Å; V875-L918 HydrophobicContact CG1-CD2 3.62Å; V875-L918 HydrophobicContact CG1-CG 3.89Å; V875-L921 HydrophobicContact CB-CD1 4.17Å; V875-L921 HydrophobicContact CG1-CD1 4.16Å; V875-L921 HydrophobicContact CG2-CD1 3.88Å; V875-T1000 HydrophobicContact CG1-CG2 4.24Å
876H86.8Confident78.1Confident38 Ų3828.9 Ų28.918%0.17614%0.14CC..Hα-helixtrans-61.4-42.6167.7-175.4-144000111.6S872 R873 F874 A879 Q880 T1000S872-H876 PolarHBondContact O-N 3.22Å; R873-H876 WeakPolarHBondContact O-CB 3.16Å; R873-H876 PolarHBondContact O-N 3Å; F874-H876 VanDerWaalsContact C-N 3.33Å; F874-H876 PolarHBondContact O-N 3.12Å; H876-A879 PolarHBondContact O-N 2.72Å; H876-Q880 PolarHBondContact CE1-NE2 2.85Å; H876-Q880 PolarHBondContact NE2-NE2 3.38Å; H876-Q880 WeakPolarHBondContact O-CB 3.22Å; H876-Q880 WeakPolarHBondContact O-CG 3.44Å; H876-Q880 PolarHBondContact O-N 3.29Å; H876-T1000 WeakPolarHBondContact CA-OG1 3.35Å; H876-T1000 VanDerWaalsContact CB-OG1 3.27Å; H876-T1000 WeakPolarHBondContact CB-OG1 3.12Å
877C85.9Confident76.7Confident9 Ų934.3 Ų34.36%0.06117%0.166CC..Hα-helixtrans-66.5-38.4173.9-177.60000113.2S822 R873 F874 V875 A879 Q880 S881S822-C877 WeakPolarHBondContact CB-SG 3.43Å; S822-C877 VanDerWaalsContact OG-CB 3.27Å; S822-C877 WeakPolarHBondContact OG-CB 3.41Å; S822-C877 PolarHBondContact OG-SG 3.19Å; R873-C877 PolarHBondContact O-N 3.42Å; R873-C877 VanDerWaalsContact O-N 3.14Å; F874-C877 CarbonylContact O-C 3.39Å; F874-C877 WeakPolarHBondContact O-CA 3.3Å; F874-C877 VanDerWaalsContact O-CB 3.29Å; F874-C877 WeakPolarHBondContact O-CB 3.4Å; F874-C877 PolarHBondContact O-N 3.19Å; V875-C877 VanDerWaalsContact C-N 3.34Å; C877-A879 VanDerWaalsContact C-N 3.3Å; C877-A879 PolarHBondContact O-N 2.99Å; C877-Q880 PolarHBondContact O-N 2.67Å; C877-S881 WeakPolarHBondContact O-CB 3.29Å; C877-S881 PolarHBondContact O-N 3.45Å; C877-S881 VanDerWaalsContact O-N 3.08Å; C877-S881 PolarHBondContact O-OG 3.27Å
878L87.2Confident74.7Confident0 Ų040.5 Ų40.50%019%0.191CC..Hα-helixtrans-55-47.2172.1-59.4-171.5000110.9F825 I844 L847 L851 F874 V875 A882 L914 L917F825-L878 HydrophobicContact CD1-CD2 4.49Å; F825-L878 HydrophobicContact CD2-CD2 3.89Å; F825-L878 HydrophobicContact CE1-CD2 3.85Å; F825-L878 HydrophobicContact CE2-CD2 3.15Å; F825-L878 HydrophobicContact CZ-CB 4.34Å; F825-L878 HydrophobicContact CZ-CD2 3.15Å; F825-L878 HydrophobicContact CZ-CG 4.31Å; I844-L878 HydrophobicContact CG2-CB 4.14Å; L847-L878 HydrophobicContact CD2-CD2 3.94Å; L851-L878 HydrophobicContact CD1-CD1 4.48Å; F874-L878 HydrophobicContact CD1-CD1 4.46Å; F874-L878 HydrophobicContact CD1-CD2 4.13Å; F874-L878 HydrophobicContact CD1-CG 4.27Å; F874-L878 HydrophobicContact CE1-CD1 4.43Å; F874-L878 HydrophobicContact CE1-CD2 3.66Å; F874-L878 HydrophobicContact CE1-CG 4.26Å; F874-L878 HydrophobicContact CE2-CD2 4.39Å; F874-L878 HydrophobicContact CZ-CD2 3.8Å; F874-L878 WeakPolarHBondContact O-CG 3.22Å; F874-L878 PolarHBondContact O-N 3.04Å; V875-L878 HydrophobicContact CG2-CD1 4.09Å; V875-L878 WeakPolarHBondContact O-CB 3.22Å; V875-L878 PolarHBondContact O-N 2.9Å; L878-A882 PolarHBondContact O-N 2.88Å; L878-L914 HydrophobicContact CB-CD1 3.76Å; L878-L914 HydrophobicContact CD1-CD1 3.89Å; L878-L914 HydrophobicContact CG-CD1 4.46Å; L878-L917 HydrophobicContact CD1-CD2 4.27Å
879A85.2Confident72.5Confident0 Ų043.8 Ų43.80%023%0.227CC..Hα-helixtrans-69-41.4178.500000113.1V875 H876 C877 S881 L914 T1000 F1003 L1004V875-A879 PolarHBondContact O-N 2.98Å; H876-A879 PolarHBondContact O-N 2.72Å; C877-A879 VanDerWaalsContact C-N 3.3Å; C877-A879 PolarHBondContact O-N 2.99Å; A879-S881 PolarHBondContact O-N 3.06Å; A879-L914 HydrophobicContact CB-CD2 4.11Å; A879-T1000 HydrophobicContact CB-CG2 3.48Å; A879-T1000 VanDerWaalsContact CB-CG2 3.48Å; A879-F1003 HydrophobicContact CB-CD1 4.32Å; A879-F1003 WeakPolarHBondContact O-CE1 3.12Å; A879-L1004 HydrophobicContact CB-CD1 4.45Å; A879-L1004 HydrophobicContact CB-CD2 3.79Å; A879-L1004 HydrophobicContact CB-CG 3.94Å
880Q84.4Confident70.4Confident102 Ų10250.5 Ų50.548%0.47726%0.263SS..Hα-helixtrans-62.5-30.2179.1-78.8-171.3-2.300113.7H876 C877 F1003H876-Q880 PolarHBondContact CE1-NE2 2.85Å; H876-Q880 PolarHBondContact NE2-NE2 3.38Å; H876-Q880 WeakPolarHBondContact O-CB 3.22Å; H876-Q880 WeakPolarHBondContact O-CG 3.44Å; H876-Q880 PolarHBondContact O-N 3.29Å; C877-Q880 PolarHBondContact O-N 2.67Å; Q880-F1003 HydrophobicContact CB-CE1 4.48Å; Q880-F1003 HydrophobicContact CB-CZ 4.2Å; Q880-F1003 HydrophobicContact CG-CD2 4.28Å; Q880-F1003 HydrophobicContact CG-CE1 4.27Å; Q880-F1003 HydrophobicContact CG-CE2 3.85Å; Q880-F1003 HydrophobicContact CG-CZ 3.85Å
881S80.7Confident67.9Low26 Ų2659.7 Ų59.718%0.18231%0.306CS..Hα-helixtrans-90.6-27.4-174.3-47.70000113.1F825 H829 C877 A879F825-S881 WeakPolarHBondContact CE1-OG 3.2Å; H829-S881 PolarHBondContact CD2-O 3.47Å; H829-S881 PolarHBondContact NE2-O 2.89Å; C877-S881 WeakPolarHBondContact O-CB 3.29Å; C877-S881 PolarHBondContact O-N 3.45Å; C877-S881 VanDerWaalsContact O-N 3.08Å; C877-S881 PolarHBondContact O-OG 3.27Å; A879-S881 PolarHBondContact O-N 3.06Å
882A79.1Confident65.5Low7 Ų768.6 Ų68.66%0.05835%0.345CS..SBendtrans-53.6144.9-176.500000113.2N841 I844 L878 L911 H1008N841-A882 WeakPolarHBondContact OD1-CA 3.5Å; I844-A882 HydrophobicContact CD1-CB 3.74Å; L878-A882 PolarHBondContact O-N 2.88Å; A882-L911 HydrophobicContact CB-CD2 4.24Å; A882-H1008 PolarHBondContact O-CE1 3.2Å
883E70.5Confident63.1Low96 Ų9675.7 Ų75.745%0.44938%0.383SS..PPolyproline II helixtrans-71.5154.2176-72.9-155.3128.700112.5T840 N841 Y885 H1008T840-E883 WeakPolarHBondContact CB-OE2 3.23Å; T840-E883 HydrophobicContact CG2-CG 4.17Å; T840-E883 WeakPolarHBondContact CG2-OE2 3.49Å; T840-E883 PolarHBondContact OG1-OE2 3.24Å; N841-E883 PolarHBondContact ND2-O 3.19Å; N841-E883 PolarHBondContact OD1-N 2.92Å; E883-Y885 PolarHBondContact O-N 3.5Å; E883-H1008 PolarHBondContact O-ND1 3.35Å
884I65Low60.4Low104 Ų10480.6 Ų80.653%0.53342%0.415SS..PPolyproline II helixtrans-72.9123.7-179.1-59.6174.6000110E886I884-E886 VanDerWaalsContact C-N 3.33Å; I884-E886 HydrophobicContact CG2-CG 3.88Å; I884-E886 PolarHBondContact O-N 3.06Å
885Y53.8Low57.6Low48 Ų4888.4 Ų88.419%0.18845%0.451CS..  trans-77.275.1178.3-170.1-96.1000111.7E883 E887E883-Y885 PolarHBondContact O-N 3.5Å; Y885-E887 HydrophobicContact CD1-CB 4.5Å; Y885-E887 HydrophobicContact CE1-CB 4.07Å; Y885-E887 PolarHBondContact O-N 3.23Å; Y885-E887 VanDerWaalsContact O-N 3.09Å
886E46.3Very low54.8Low112 Ų11298 Ų9852%0.52349%0.489SS..  trans-79.281.4175.2-68.9-130.5140.500112.7I884 K888I884-E886 VanDerWaalsContact C-N 3.33Å; I884-E886 HydrophobicContact CG2-CG 3.88Å; I884-E886 PolarHBondContact O-N 3.06Å; E886-K888 PolarHBondContact O-N 3.15Å; E886-K888 WeakPolarHBondContact OE1-CE 3.46Å; E886-K888 IonicContact OE1-NZ 3.06Å; E886-K888 PolarHBondContact OE1-NZ 2.93Å; E886-K888 WeakPolarHBondContact OE2-CD 3.45Å; E886-K888 WeakPolarHBondContact OE2-CE 3.33Å; E886-K888 IonicContact OE2-NZ 3Å; E886-K888 PolarHBondContact OE2-NZ 2.98Å
887E41.3Very low52Low115 Ų115101.6 Ų101.654%0.53751%0.514SS..  trans-72.362.5165.3-160.5-166.5169.200111.7Y885 G889 K902Y885-E887 HydrophobicContact CD1-CB 4.5Å; Y885-E887 HydrophobicContact CE1-CB 4.07Å; Y885-E887 PolarHBondContact O-N 3.23Å; Y885-E887 VanDerWaalsContact O-N 3.09Å; E887-G889 PolarHBondContact O-N 3.32Å; E887-K902 WeakPolarHBondContact OE1-CE 3.47Å; E887-K902 IonicContact OE1-NZ 3.39Å; E887-K902 PolarHBondContact OE1-NZ 3.46Å; E887-K902 WeakPolarHBondContact OE2-CE 3.27Å; E887-K902 IonicContact OE2-NZ 2.82Å; E887-K902 PolarHBondContact OE2-NZ 2.69Å
888K35.9Very low49.4Very low147 Ų147106.6 Ų106.664%0.63954%0.535SS*.  trans-93.980.7177.5-75.5-173.1-170.5151.10111.8E886 N890E886-K888 PolarHBondContact O-N 3.15Å; E886-K888 WeakPolarHBondContact OE1-CE 3.46Å; E886-K888 IonicContact OE1-NZ 3.06Å; E886-K888 PolarHBondContact OE1-NZ 2.93Å; E886-K888 WeakPolarHBondContact OE2-CD 3.45Å; E886-K888 WeakPolarHBondContact OE2-CE 3.33Å; E886-K888 IonicContact OE2-NZ 3Å; E886-K888 PolarHBondContact OE2-NZ 2.98Å; K888-N890 PolarHBondContact O-N 2.89Å; K888-N890 VanDerWaalsContact O-N 3.15Å
889G29.8Very low47Very low74 Ų74110.5 Ų110.576%0.76357%0.567SS**  trans-57.9114.2172.700000113E887E887-G889 PolarHBondContact O-N 3.32Å
890N33.7Very low44.7Very low160 Ų160112.5 Ų112.586%0.85658%0.581SS**  trans-141.6103.2156.7-112-35.5000108.7K888 K892K888-N890 PolarHBondContact O-N 2.89Å; K888-N890 VanDerWaalsContact O-N 3.15Å; N890-K892 PolarHBondContact O-N 3.34Å
891Q32.3Very low42.4Very low193 Ų193111.6 Ų111.690%0.90259%0.591SS**THydrogen-bonded Turntrans-69.596.6-177.2-67.8175.2-17.200111.1
892K34.4Very low40.5Very low186 Ų186115.8 Ų115.881%0.80961%0.606SS**THydrogen-bonded Turntrans-163.6-35.9158-111.8144.7-169.4170.80116.7N890 T894N890-K892 PolarHBondContact O-N 3.34Å; K892-T894 PolarHBondContact O-N 2.95Å
893D33.2Very low39.1Very low149 Ų149119.6 Ų119.680%0.79762%0.624SS**  trans-98.793.3-172.3-61.9-42.4000112H895D893-H895 VanDerWaalsContact C-N 3.34Å; D893-H895 PolarHBondContact O-N 3.46Å
894T28.1Very low37.8Very low126 Ų126122.1 Ų122.177%0.77364%0.641SS**  trans-80.464.3-171.655.30000114K892K892-T894 PolarHBondContact O-N 2.95Å
895H27.8Very low37.3Very low164 Ų164123 Ų12376%0.75965%0.647SS**  trans-150.456.1168.9-83.8-58.1000113.7D893D893-H895 VanDerWaalsContact C-N 3.34Å; D893-H895 PolarHBondContact O-N 3.46Å
896Y29.5Very low37.6Very low201 Ų201123.9 Ų123.979%0.78865%0.653SS**  trans-131.285.3162.8-81.6-80.3000110.3
897T27.5Very low38.2Very low114 Ų114121 Ų12170%0.69964%0.644SS**THydrogen-bonded Turntrans-72163.9164.5-36.80000109.3A899T897-A899 PolarHBondContact O-N 3.48Å
898F31.5Very low39.5Very low115 Ų115115.6 Ų115.650%0.50462%0.619SS.*THydrogen-bonded Turntrans71.12.3-175.2-46.9-70.4000116.8T836 S900T836-F898 VanDerWaalsContact O-CE2 3.31Å; T836-F898 WeakPolarHBondContact O-CE2 3.23Å; T836-F898 WeakPolarHBondContact O-CZ 3.3Å; F898-S900 PolarHBondContact O-N 3.38Å; F898-S900 VanDerWaalsContact O-N 3.13Å
899A35.8Very low41.2Very low81 Ų81108.9 Ų108.967%0.66959%0.591SS**PPolyproline II helixtrans-55119.8151.900000108.2T897 A901T897-A899 PolarHBondContact O-N 3.48Å; A899-A901 PolarHBondContact O-N 3.25Å; A899-A901 VanDerWaalsContact O-N 3.11Å
900S37.7Very low43.4Very low42 Ų42107.5 Ų107.529%0.29457%0.565SS.*PPolyproline II helixtrans-56.7120.4176.857.30000108.6F898 K902F898-S900 PolarHBondContact O-N 3.38Å; F898-S900 VanDerWaalsContact O-N 3.13Å; S900-K902 PolarHBondContact O-N 3.49Å
901A36.1Very low45.6Very low84 Ų84100.1 Ų100.169%0.69453%0.525SS*.PPolyproline II helixtrans-53.3131.3167.700000107.8A899 I903A899-A901 PolarHBondContact O-N 3.25Å; A899-A901 VanDerWaalsContact O-N 3.11Å; A901-I903 PolarHBondContact O-N 2.81Å
902K41.9Very low48Very low114 Ų11491.8 Ų91.850%0.49649%0.488SS..  trans-67.489.3166.6-82.4-176166.9172.60107.1E887 S900E887-K902 WeakPolarHBondContact OE1-CE 3.47Å; E887-K902 IonicContact OE1-NZ 3.39Å; E887-K902 PolarHBondContact OE1-NZ 3.46Å; E887-K902 WeakPolarHBondContact OE2-CE 3.27Å; E887-K902 IonicContact OE2-NZ 2.82Å; E887-K902 PolarHBondContact OE2-NZ 2.69Å; S900-K902 PolarHBondContact O-N 3.49Å
903I48Very low50.3Low86 Ų8683 Ų8344%0.44145%0.449SS..  trans-73120.1153.5-46.2174.8000103.9Y721 A901 D905 Q906Y721-I903 WeakPolarHBondContact OH-CD1 3.18Å; Y721-I903 WeakPolarHBondContact OH-CG2 3.19Å; A901-I903 PolarHBondContact O-N 2.81Å; I903-D905 PolarHBondContact O-N 2.94Å; I903-Q906 PolarHBondContact O-N 2.77Å
904D44.8Very low52.8Low149 Ų14975.9 Ų75.980%0.79741%0.411SS*.THydrogen-bonded Turntrans-61.2-17.1-163.5-66.9-57.4000113.4
905D54.3Low55.6Low122 Ų12270 Ų7065%0.65238%0.375SS*.THydrogen-bonded Turntrans-78.3-9.9178.1-48.7-62.9000115.3I903I903-D905 PolarHBondContact O-N 2.94Å
906Q60Low58.3Low67 Ų6764.2 Ų64.231%0.31335%0.353SS..  trans-126.977.3-178.3-63.9-166.514.300114.4I903 L908 G909I903-Q906 PolarHBondContact O-N 2.77Å; Q906-L908 PolarHBondContact O-N 3.31Å; Q906-L908 VanDerWaalsContact O-N 3.11Å; Q906-G909 PolarHBondContact O-N 2.84Å
907P58.7Low61Low51 Ų5154.6 Ų54.633%0.33132%0.316SS..THydrogen-bonded Turntrans-68.2-10.8-179.2-18.231.4000115.7S1014P907-S1014 PolarHBondContact O-OG 3.01Å; P907-S1014 VanDerWaalsContact O-OG 3.1Å
908L68.7Low63.9Low3 Ų349.2 Ų49.22%0.01628%0.282CS..THydrogen-bonded Turntrans-100.4-4.6173.7-68.5164.5000112.4Q906 Q910 L911 V915 L1009 S1014 M1018 K1021Q906-L908 PolarHBondContact O-N 3.31Å; Q906-L908 VanDerWaalsContact O-N 3.11Å; L908-Q910 PolarHBondContact O-N 2.89Å; L908-L911 HydrophobicContact CB-CB 4.46Å; L908-L911 PolarHBondContact O-N 3.1Å; L908-V915 HydrophobicContact CD1-CB 4.08Å; L908-V915 HydrophobicContact CD1-CG1 4.15Å; L908-V915 HydrophobicContact CD1-CG2 4.02Å; L908-L1009 HydrophobicContact CD2-CD2 3.74Å; L908-S1014 WeakPolarHBondContact CD2-O 3.34Å; L908-M1018 HydrophobicContact CD2-CB 4.22Å; L908-K1021 HydrophobicContact CD1-CD 3.83Å
909G71.9Confident66.6Low6 Ų644.9 Ų44.96%0.06227%0.265CS..G310 helixtrans45.9-127.6-16900000111.8Q906 L911 T912Q906-G909 PolarHBondContact O-N 2.84Å; G909-L911 PolarHBondContact O-N 3.41Å; G909-L911 VanDerWaalsContact O-N 3.17Å; G909-T912 WeakPolarHBondContact O-CB 3.12Å; G909-T912 PolarHBondContact O-N 2.95Å; G909-T912 PolarHBondContact O-OG1 3.44Å
910Q74.9Confident68.9Low45 Ų4541.5 Ų41.521%0.2124%0.236CC..G310 helixtrans-73.53-178.1-66.5156.11900114.8N841 A842 N845 L908 T912N841-Q910 HydrophobicContact CB-CB 3.73Å; A842-Q910 HydrophobicContact CB-CG 4.26Å; N845-Q910 HydrophobicContact CB-CB 4.3Å; N845-Q910 VanDerWaalsContact CB-O 3.25Å; N845-Q910 WeakPolarHBondContact CB-O 3.08Å; N845-Q910 PolarHBondContact OD1-O 3.37Å; L908-Q910 PolarHBondContact O-N 2.89Å; Q910-T912 VanDerWaalsContact C-N 3.34Å
911L80.9Confident71.1Confident4 Ų439.5 Ų39.52%0.02122%0.222CC..G310 helixtrans-90.6-1.8166.3-58.7177.5000112.1A882 L908 G909 G913 L914 V915 H1008 L1009A882-L911 HydrophobicContact CB-CD2 4.24Å; L908-L911 HydrophobicContact CB-CB 4.46Å; L908-L911 PolarHBondContact O-N 3.1Å; G909-L911 PolarHBondContact O-N 3.41Å; G909-L911 VanDerWaalsContact O-N 3.17Å; L911-G913 PolarHBondContact O-N 3.17Å; L911-L914 HydrophobicContact CD2-CD2 4.47Å; L911-L914 PolarHBondContact O-N 3.31Å; L911-V915 WeakPolarHBondContact O-CG2 3.27Å; L911-V915 PolarHBondContact O-N 2.59Å; L911-V915 VanDerWaalsContact O-N 3.07Å; L911-H1008 HydrophobicContact CD1-CB 3.87Å; L911-L1009 HydrophobicContact CD1-CD2 4.39Å
912T82.1Confident73.4Confident19 Ų1935.5 Ų35.512%0.11719%0.189CC..Hα-helixtrans-53.9-51-179.4-79.60000113N845 G909 Q910 V915 S916 K1021N845-T912 PolarHBondContact OD1-N 3.44Å; G909-T912 WeakPolarHBondContact O-CB 3.12Å; G909-T912 PolarHBondContact O-N 2.95Å; G909-T912 PolarHBondContact O-OG1 3.44Å; Q910-T912 VanDerWaalsContact C-N 3.34Å; T912-V915 PolarHBondContact O-N 3.32Å; T912-S916 PolarHBondContact O-N 3.4Å; T912-S916 PolarHBondContact O-OG 3.23Å; T912-K1021 PolarHBondContact OG1-NZ 3.47Å
913G82.7Confident75.2Confident0 Ų032.6 Ų32.60%018%0.179CC..Hα-helixtrans-65.6-39.1-178.600000112.7N845 S848 L911 S916 L917N845-G913 PolarHBondContact OD1-N 3Å; S848-G913 WeakPolarHBondContact CB-O 3.32Å; L911-G913 PolarHBondContact O-N 3.17Å; G913-S916 PolarHBondContact O-N 2.88Å; G913-L917 WeakPolarHBondContact O-CB 3.13Å; G913-L917 PolarHBondContact O-N 2.98Å
914L86.6Confident76.6Confident0 Ų031 Ų310%017%0.168CC..Hα-helixtrans-65.5-39.5178.9-175.162.1000111.6V875 L878 A879 L911 L918 L1004V875-L914 HydrophobicContact CG1-CD1 3.98Å; L878-L914 HydrophobicContact CB-CD1 3.76Å; L878-L914 HydrophobicContact CD1-CD1 3.89Å; L878-L914 HydrophobicContact CG-CD1 4.46Å; A879-L914 HydrophobicContact CB-CD2 4.11Å; L911-L914 HydrophobicContact CD2-CD2 4.47Å; L911-L914 PolarHBondContact O-N 3.31Å; L914-L918 WeakPolarHBondContact O-CB 3.28Å; L914-L918 WeakPolarHBondContact O-CG 3.25Å; L914-L918 PolarHBondContact O-N 3.27Å; L914-L1004 HydrophobicContact CD2-CD1 4.06Å; L914-L1004 HydrophobicContact CD2-CD2 3.94Å; L914-L1004 HydrophobicContact CG-CD1 4.29Å
915V85.9Confident78Confident2 Ų224.2 Ų24.21%0.01213%0.131CC..Hα-helixtrans-70.8-37.3174.5176.40000111.8L908 L911 T912 L918 N919 M1018 K1021 L1022L908-V915 HydrophobicContact CD1-CB 4.08Å; L908-V915 HydrophobicContact CD1-CG1 4.15Å; L908-V915 HydrophobicContact CD1-CG2 4.02Å; L911-V915 WeakPolarHBondContact O-CG2 3.27Å; L911-V915 PolarHBondContact O-N 2.59Å; L911-V915 VanDerWaalsContact O-N 3.07Å; T912-V915 PolarHBondContact O-N 3.32Å; V915-L918 PolarHBondContact O-N 2.82Å; V915-N919 PolarHBondContact O-N 3.13Å; V915-M1018 HydrophobicContact CG1-CG 4Å; V915-M1018 HydrophobicContact CG2-CE 4.39Å; V915-M1018 HydrophobicContact CG2-CG 4.02Å; V915-K1021 HydrophobicContact CG1-CB 3.73Å; V915-K1021 HydrophobicContact CG1-CD 4.13Å; V915-L1022 HydrophobicContact CG1-CG 4.25Å
916S85.4Confident78.4Confident43 Ų4320.8 Ų20.830%0.30112%0.115SC..Hα-helixtrans-61.8-44.5172.2-65.40000112T912 G913 N919 S920T912-S916 PolarHBondContact O-N 3.4Å; T912-S916 PolarHBondContact O-OG 3.23Å; G913-S916 PolarHBondContact O-N 2.88Å; S916-N919 WeakPolarHBondContact O-CB 3.44Å; S916-N919 PolarHBondContact O-N 3.47Å; S916-S920 PolarHBondContact O-N 3.31Å; S916-S920 PolarHBondContact O-OG 2.86Å
917L86.2Confident78.5Confident0 Ų018.3 Ų18.30%010%0.103CC..Hα-helixtrans-61.9-44.7175.9173.953.9000112.3L851 I855 I871 V875 L878 G913 N919 S920 L921L851-L917 HydrophobicContact CB-CD1 3.81Å; L851-L917 HydrophobicContact CB-CD2 3.64Å; L851-L917 HydrophobicContact CB-CG 4.38Å; L851-L917 HydrophobicContact CD1-CD2 3.92Å; L851-L917 HydrophobicContact CG-CD2 4.44Å; I855-L917 HydrophobicContact CD1-CD1 3.64Å; I871-L917 HydrophobicContact CG2-CD1 4.48Å; V875-L917 HydrophobicContact CG2-CD2 3.37Å; V875-L917 HydrophobicContact CG2-CG 3.83Å; L878-L917 HydrophobicContact CD1-CD2 4.27Å; G913-L917 WeakPolarHBondContact O-CB 3.13Å; G913-L917 PolarHBondContact O-N 2.98Å; L917-N919 VanDerWaalsContact C-N 3.3Å; L917-N919 PolarHBondContact O-N 3.26Å; L917-S920 PolarHBondContact O-N 3.35Å; L917-L921 HydrophobicContact CD1-CD1 4.03Å; L917-L921 HydrophobicContact CD1-CG 4.18Å; L917-L921 HydrophobicContact CG-CD1 4.1Å; L917-L921 WeakPolarHBondContact O-CB 3.37Å; L917-L921 WeakPolarHBondContact O-CG 3.07Å; L917-L921 PolarHBondContact O-N 3.37Å
918L87.7Confident78.1Confident0 Ų019.8 Ų19.80%011%0.108CC..Hα-helixtrans-60-39.6173.2-78.8165.8000112V875 L914 V915 L921 L922 T1000 V1001 L1004 L1022V875-L918 HydrophobicContact CG1-CD2 3.62Å; V875-L918 HydrophobicContact CG1-CG 3.89Å; L914-L918 WeakPolarHBondContact O-CB 3.28Å; L914-L918 WeakPolarHBondContact O-CG 3.25Å; L914-L918 PolarHBondContact O-N 3.27Å; V915-L918 PolarHBondContact O-N 2.82Å; L918-L921 PolarHBondContact O-N 3.5Å; L918-L922 WeakPolarHBondContact O-CB 3.4Å; L918-L922 VanDerWaalsContact O-CG 3.27Å; L918-L922 WeakPolarHBondContact O-CG 3.45Å; L918-L922 PolarHBondContact O-N 3.43Å; L918-T1000 HydrophobicContact CD1-CG2 4Å; L918-T1000 HydrophobicContact CD2-CG2 3.95Å; L918-V1001 HydrophobicContact CD1-CG2 4.29Å; L918-V1001 HydrophobicContact CD2-CG2 4.43Å; L918-L1004 HydrophobicContact CD1-CD1 3.45Å; L918-L1004 VanDerWaalsContact CD1-CD1 3.45Å; L918-L1022 HydrophobicContact CB-CD2 4.31Å
919N87.8Confident76.5Confident25 Ų2525.5 Ų25.513%0.13413%0.134CC..Hα-helixtrans-62.8-48.4174.7-164.539.3000111.3V915 S916 L917 L921 L922 L923 K1021 L1022 S1024 S1025V915-N919 PolarHBondContact O-N 3.13Å; S916-N919 WeakPolarHBondContact O-CB 3.44Å; S916-N919 PolarHBondContact O-N 3.47Å; L917-N919 VanDerWaalsContact C-N 3.3Å; L917-N919 PolarHBondContact O-N 3.26Å; N919-L921 PolarHBondContact O-N 3.5Å; N919-L922 PolarHBondContact O-N 2.96Å; N919-L923 VanDerWaalsContact O-CB 3.23Å; N919-L923 WeakPolarHBondContact O-CB 3.49Å; N919-L923 VanDerWaalsContact O-CG 3.22Å; N919-L923 WeakPolarHBondContact O-CG 3.3Å; N919-L923 PolarHBondContact O-N 3.28Å; N919-K1021 PolarHBondContact ND2-O 2.93Å; N919-K1021 PolarHBondContact OD1-O 3.24Å; N919-L1022 HydrophobicContact CB-CD2 3.85Å; N919-S1024 PolarHBondContact ND2-OG 2.86Å; N919-S1025 WeakPolarHBondContact OD1-CB 3.47Å; N919-S1025 PolarHBondContact OD1-OG 3.45Å
920S84.4Confident74.7Confident9 Ų927 Ų276%0.06314%0.142CC..Hα-helixtrans-57.1-46.9175.8-67.80000111.8S852 S916 L917 L923 Y924S852-S920 PolarHBondContact OG-OG 2.84Å; S916-S920 PolarHBondContact O-N 3.31Å; S916-S920 PolarHBondContact O-OG 2.86Å; L917-S920 PolarHBondContact O-N 3.35Å; S920-L923 PolarHBondContact O-N 3.39Å; S920-Y924 WeakPolarHBondContact O-CD2 3.48Å; S920-Y924 PolarHBondContact O-N 3.32Å
921L83.8Confident72.5Confident0 Ų029.3 Ų29.30%016%0.162CC..Hα-helixtrans-58.3-53.4176.6-77.4164.3000111.8I855 L868 I871 V875 L917 L918 N919 L923 Y924 I925I855-L921 HydrophobicContact CD1-CD2 3.62Å; I855-L921 HydrophobicContact CD1-CG 3.8Å; L868-L921 HydrophobicContact CD2-CD2 4.2Å; I871-L921 HydrophobicContact CB-CD2 4.11Å; I871-L921 HydrophobicContact CG2-CD1 4.03Å; I871-L921 HydrophobicContact CG2-CD2 3.86Å; I871-L921 HydrophobicContact CG2-CG 4.42Å; V875-L921 HydrophobicContact CB-CD1 4.17Å; V875-L921 HydrophobicContact CG1-CD1 4.16Å; V875-L921 HydrophobicContact CG2-CD1 3.88Å; L917-L921 HydrophobicContact CD1-CD1 4.03Å; L917-L921 HydrophobicContact CD1-CG 4.18Å; L917-L921 HydrophobicContact CG-CD1 4.1Å; L917-L921 WeakPolarHBondContact O-CB 3.37Å; L917-L921 WeakPolarHBondContact O-CG 3.07Å; L917-L921 PolarHBondContact O-N 3.37Å; L918-L921 PolarHBondContact O-N 3.5Å; N919-L921 PolarHBondContact O-N 3.5Å; L921-L923 VanDerWaalsContact C-N 3.28Å; L921-L923 PolarHBondContact O-N 3.42Å; L921-Y924 PolarHBondContact O-N 2.98Å; L921-I925 HydrophobicContact CB-CD1 3.98Å; L921-I925 HydrophobicContact CD2-CD1 4.26Å; L921-I925 VanDerWaalsContact O-CB 3.28Å; L921-I925 WeakPolarHBondContact O-CB 3.43Å; L921-I925 WeakPolarHBondContact O-CD1 3.43Å; L921-I925 WeakPolarHBondContact O-CG1 3.43Å; L921-I925 PolarHBondContact O-N 2.75Å
922L84.1Confident70.1Confident0 Ų035.6 Ų35.60%020%0.2CC..Hα-helixtrans-68.9-24.4-178.4-63.8172.7000113L918 N919 L994 A997 L998 V1001 L1022 R1028 L1029L918-L922 WeakPolarHBondContact O-CB 3.4Å; L918-L922 VanDerWaalsContact O-CG 3.27Å; L918-L922 WeakPolarHBondContact O-CG 3.45Å; L918-L922 PolarHBondContact O-N 3.43Å; N919-L922 PolarHBondContact O-N 2.96Å; L922-L994 HydrophobicContact CD2-CD1 4.07Å; L922-A997 HydrophobicContact CD2-CB 3.75Å; L922-A997 HydrophobicContact CG-CB 4.47Å; L922-L998 HydrophobicContact CD2-CD2 4.19Å; L922-L998 HydrophobicContact CD2-CG 4.37Å; L922-V1001 HydrophobicContact CD1-CG2 4.16Å; L922-L1022 HydrophobicContact CD1-CD2 4.46Å; L922-R1028 PolarHBondContact O-NH1 3.45Å; L922-L1029 HydrophobicContact CB-CD1 4.16Å; L922-L1029 HydrophobicContact CD1-CD1 4.49Å; L922-L1029 HydrophobicContact CD2-CD1 4.13Å; L922-L1029 HydrophobicContact CG-CD1 4.49Å
923L81.4Confident67.7Low54 Ų5443.3 Ų43.328%0.28324%0.235SC..Hα-helixtrans-72.2-35.1171.2-80.7173.6000113.1N919 S920 L921 R1028N919-L923 VanDerWaalsContact O-CB 3.23Å; N919-L923 WeakPolarHBondContact O-CB 3.49Å; N919-L923 VanDerWaalsContact O-CG 3.22Å; N919-L923 WeakPolarHBondContact O-CG 3.3Å; N919-L923 PolarHBondContact O-N 3.28Å; S920-L923 PolarHBondContact O-N 3.39Å; L921-L923 VanDerWaalsContact C-N 3.28Å; L921-L923 PolarHBondContact O-N 3.42Å; L923-R1028 PolarHBondContact O-NE 3.43Å; L923-R1028 VanDerWaalsContact O-NE 3.15Å; L923-R1028 PolarHBondContact O-NH1 3Å; L923-R1028 VanDerWaalsContact O-NH1 3.09Å; L923-R1028 PolarHBondContact O-NH2 3.11Å
924Y75.8Confident65.2Low53 Ų5349.8 Ų49.821%0.20828%0.275CS..Hα-helixtrans-90.6-54.9178.5-67.7-66.6000112.5I855 L856 A859 V862 F863 S920 L921 R1028I855-Y924 HydrophobicContact CG2-CD2 3.36Å; I855-Y924 HydrophobicContact CG2-CE2 3.79Å; I855-Y924 HydrophobicContact CG2-CG 4.36Å; L856-Y924 HydrophobicContact CD2-CE2 4.18Å; A859-Y924 HydrophobicContact CB-CE1 3.91Å; A859-Y924 HydrophobicContact CB-CE2 4.43Å; A859-Y924 VanDerWaalsContact CB-OH 3.22Å; A859-Y924 WeakPolarHBondContact CB-OH 3.28Å; V862-Y924 HydrophobicContact CB-CG 4.36Å; V862-Y924 HydrophobicContact CG2-CD1 3.69Å; V862-Y924 HydrophobicContact CG2-CD2 4.05Å; V862-Y924 HydrophobicContact CG2-CE1 4.04Å; V862-Y924 HydrophobicContact CG2-CE2 4.38Å; V862-Y924 HydrophobicContact CG2-CG 3.73Å; F863-Y924 WeakPolarHBondContact CE2-O 3.47Å; F863-Y924 WeakPolarHBondContact CZ-O 3.38Å; S920-Y924 WeakPolarHBondContact O-CD2 3.48Å; S920-Y924 PolarHBondContact O-N 3.32Å; L921-Y924 PolarHBondContact O-N 2.98Å; Y924-R1028 PolarHBondContact O-NH2 3.3Å
925I74.3Confident62.4Low6 Ų658.1 Ų58.13%0.03131%0.314CS..SBendtrans-34.3130.2-171.4-76.4167.6000112.1L868 S872 L921 W927 L994 A997 R1028L868-I925 HydrophobicContact CB-CG1 4.22Å; L868-I925 HydrophobicContact CD1-CG1 3.84Å; S872-I925 WeakPolarHBondContact OG-CD1 3.44Å; L921-I925 HydrophobicContact CB-CD1 3.98Å; L921-I925 HydrophobicContact CD2-CD1 4.26Å; L921-I925 VanDerWaalsContact O-CB 3.28Å; L921-I925 WeakPolarHBondContact O-CB 3.43Å; L921-I925 WeakPolarHBondContact O-CD1 3.43Å; L921-I925 WeakPolarHBondContact O-CG1 3.43Å; L921-I925 PolarHBondContact O-N 2.75Å; I925-W927 VanDerWaalsContact C-N 3.3Å; I925-W927 PolarHBondContact O-N 2.99Å; I925-L994 HydrophobicContact CG2-CB 3.85Å; I925-L994 HydrophobicContact CG2-CD1 3.95Å; I925-L994 HydrophobicContact CG2-CG 4.44Å; I925-A997 HydrophobicContact CD1-CB 4.26Å; I925-R1028 PolarHBondContact O-NH1 3.44Å; I925-R1028 PolarHBondContact O-NH2 2.89Å
926P62.7Low59.8Low49 Ų4966 Ų6632%0.31836%0.355SS..  trans-88.478.3-158.131.5-18.9000108.7F863 L928 V990F863-P926 HydrophobicContact CD1-CG 4.03Å; F863-P926 HydrophobicContact CE1-CB 4Å; F863-P926 HydrophobicContact CE1-CG 3.4Å; F863-P926 VanDerWaalsContact CE1-CG 3.4Å; F863-P926 HydrophobicContact CE2-CB 4.02Å; F863-P926 HydrophobicContact CE2-CG 4.35Å; F863-P926 HydrophobicContact CZ-CB 3.66Å; F863-P926 VanDerWaalsContact CZ-CD 3.44Å; F863-P926 HydrophobicContact CZ-CG 3.58Å; P926-L928 PolarHBondContact O-N 2.97Å; P926-V990 HydrophobicContact CG-CG1 3.73Å
927W62Low57.2Low16 Ų1670.9 Ų70.96%0.06138%0.379CS..  trans-59.1119.7170-156104.8000108.3I925 H929 L994 L1029 C1032 C1033 A1036I925-W927 VanDerWaalsContact C-N 3.3Å; I925-W927 PolarHBondContact O-N 2.99Å; W927-H929 PolarHBondContact O-N 2.88Å; W927-H929 PolarHBondContact O-ND1 2.93Å; W927-L994 HydrophobicContact CG-CD2 4.32Å; W927-L1029 HydrophobicContact CB-CD2 4.37Å; W927-L1029 HydrophobicContact CG-CD2 4.04Å; W927-C1032 HydrophobicContact CD2-CB 3.64Å; W927-C1032 HydrophobicContact CE3-CB 3.43Å; W927-C1032 VanDerWaalsContact CE3-CB 3.43Å; W927-C1032 HydrophobicContact CG-CB 4.15Å; W927-C1032 HydrophobicContact CH2-CB 4.42Å; W927-C1032 VanDerWaalsContact CH2-O 3.29Å; W927-C1032 WeakPolarHBondContact CH2-O 3.34Å; W927-C1032 HydrophobicContact CZ3-CB 3.84Å; W927-C1032 WeakPolarHBondContact CZ3-O 3.46Å; W927-C1033 HydrophobicContact CZ2-CB 4.24Å; W927-C1033 WeakPolarHBondContact CZ2-SG 3.26Å; W927-A1036 HydrophobicContact CH2-CB 3.62Å; W927-A1036 HydrophobicContact CZ3-CB 3.56Å
928L51.1Low54.7Low82 Ų8279.8 Ų79.843%0.42942%0.42SS..  trans-37.395.5-170.5-70.9157.9000113.8P926 P930 I1053 R1057P926-L928 PolarHBondContact O-N 2.97Å; L928-P930 VanDerWaalsContact O-CD 3.24Å; L928-P930 WeakPolarHBondContact O-CD 3.45Å; L928-I1053 HydrophobicContact CD1-CG2 4.14Å; L928-R1057 HydrophobicContact CD1-CG 3.68Å
929H35.6Very low51.8Low123 Ų12385.7 Ų85.757%0.56946%0.461SS*.PPolyproline II helixtrans-71.4117.2-170.5-82.815.9000111.7W927W927-H929 PolarHBondContact O-N 2.88Å; W927-H929 PolarHBondContact O-ND1 2.93Å
930P32.7Very low49.2Very low36 Ų3690.3 Ų90.323%0.23449%0.493CS..PPolyproline II helixtrans-71.8146.2162.231.4-31.3000109.6L928 T932 E1035L928-P930 VanDerWaalsContact O-CD 3.24Å; L928-P930 WeakPolarHBondContact O-CD 3.45Å; P930-T932 PolarHBondContact O-N 3.24Å; P930-E1035 HydrophobicContact CG-CB 3.72Å
931P29.9Very low46.7Very low95 Ų9595.1 Ų95.162%0.61752%0.524SS*.PPolyproline II helixtrans-73.5124.5-172.828.6-34.6000112.3Q933P931-Q933 PolarHBondContact O-N 2.93Å
932T29.9Very low43.8Very low136 Ų136100.5 Ų100.583%0.83456%0.56SS**  trans-71.7111.7171.249.10000111P930P930-T932 PolarHBondContact O-N 3.24Å
933Q31.4Very low41Very low181 Ų181108.4 Ų108.485%0.84660%0.597SS**  trans-97117.5164.1-65.9-169.514.100109.8P931P931-Q933 PolarHBondContact O-N 2.93Å
934T30.1Very low38.3Very low135 Ų135113.2 Ų113.283%0.82862%0.622SS**  trans-81.4113.5172.346.40000110.4N936T934-N936 PolarHBondContact O-N 2.76Å
935E29Very low35.9Very low176 Ų176116.1 Ų116.182%0.82265%0.65SS**  trans-63.8125.9167-66.1-169.9131.100110.9
936N30.3Very low33.6Very low166 Ų166120.3 Ų120.389%0.88869%0.685SS**  trans-164.2149.4138.8-100.8-56.4000110.2T934T934-N936 PolarHBondContact O-N 2.76Å
937N31.9Very low31.9Very low147 Ų147127.5 Ų127.579%0.78672%0.715SS**  trans-106.3161.3-163.4-79.7-72.2000114.4
938E32.3Very low30.2Very low186 Ų186135.2 Ų135.287%0.86975%0.751SS**  trans68.381.7158.5-69.6178.5-171.200119.9
939S28.1Very low28.9Very low124 Ų124136.1 Ų136.187%0.86777%0.765SS**  trans-162.4143.5130.3-83.10000112.5
940P32.5Very low28.5Very low122 Ų122135.8 Ų135.879%0.79277%0.771SS**  trans-124.2-177.7-170.246.5-35.2000114.4
941P31.6Very low28.1Very low111 Ų111139.6 Ų139.672%0.72179%0.794SS**  -126.9-174.2-71.738.5-21.5000112.8
942C23.4Very low27.9Very low112 Ų112143.6 Ų143.676%0.75781%0.805SS**  trans78.4144.3179.1-51.40000115.4
943H25.3Very low27.7Very low166 Ų166145.4 Ų145.477%0.76980%0.797SS**  cis-163.4152.5-14.3-120.7-65.2000109.6
944L25.3Very low27.4Very low155 Ų155141.7 Ų141.781%0.81278%0.782SS**  trans81132.2162.5-62.8165.3000121.2
945S23.7Very low27.3Very low115 Ų115141.3 Ų141.380%0.80478%0.779SS**  trans55.680.3147.5610000122.1
946A27.6Very low27.1Very low93 Ų93138.3 Ų138.377%0.76978%0.778SS**  trans-175.578.6142.800000108.3
947Q25.7Very low27Very low201 Ų201133 Ų13394%0.93975%0.753SS**  61.957.388.7-157.1174.60.500115.5
948E26.3Very low26.8Very low177 Ų177130 Ų13083%0.82774%0.741SS**  trans-110114.5159.4-67.6-174.2130.500109.4T950E948-T950 PolarHBondContact O-N 3.14Å
949S25Very low26.6Very low101 Ų101126.6 Ų126.671%0.70673%0.733SS**  trans-81.874.3-171.460.20000112.8
950T25.6Very low26.6Very low116 Ų116126.5 Ų126.571%0.71273%0.727SS**  trans-116.1157.4167.845.50000111.5E948E948-T950 PolarHBondContact O-N 3.14Å
951T26.1Very low26.4Very low117 Ų117125.7 Ų125.772%0.71872%0.724SS**  trans72.679.2175.669.60000118.5
952Q25.6Very low26.3Very low179 Ų179128 Ų12884%0.83673%0.729SS**  trans-157.838.3147.4-125.9169.999.400117
953W25.6Very low26.5Very low174 Ų174125.2 Ų125.266%0.65972%0.718SS**SBendtrans-125.789.5172.4-72.493000112S793S793-W953 VanDerWaalsContact O-CZ2 3.27Å; S793-W953 WeakPolarHBondContact O-CZ2 3.33Å; S793-W953 PolarHBondContact O-NE1 3.15Å
954L25.4Very low26.6Very low102 Ų102124.2 Ų124.253%0.53472%0.724SS.*SBendtrans152.776.7158.6-88.2160.1000110
955T26Very low26.8Very low127 Ų127126.1 Ų126.178%0.77972%0.72SS**SBendtrans179.858.215819.90000113.5
956S25.3Very low27Very low114 Ų114125.8 Ų125.880%0.79771%0.714SS**  trans177.4128.415033.90000112.7
957P28.9Very low26.9Very low54 Ų54128.6 Ų128.635%0.35172%0.716SS.*PPolyproline II helixtrans-92.8143.6170.536.7-35.1000112.1V959 D1048P957-V959 PolarHBondContact O-N 3.39Å; P957-D1048 HydrophobicContact CG-CB 3.81Å; P957-D1048 WeakPolarHBondContact CG-O 3.31Å
958P28.1Very low27.1Very low84 Ų84128.1 Ų128.155%0.54571%0.714SS.*PPolyproline II helixtrans-76.2118.7161.330.4-30.2000109.7V960P958-V960 PolarHBondContact O-N 3.03Å
959V28.4Very low27.2Very low115 Ų115124 Ų12470%0.69771%0.705SS**PPolyproline II helixtrans-67.9117.2-171-175.60000112.2P957 S961P957-V959 PolarHBondContact O-N 3.39Å; V959-S961 VanDerWaalsContact C-N 3.26Å; V959-S961 WeakPolarHBondContact CG1-OG 3.36Å; V959-S961 PolarHBondContact O-N 3.01Å; V959-S961 PolarHBondContact O-OG 3.22Å
960V28.1Very low27.4Very low122 Ų122126.5 Ų126.574%0.73971%0.709SS**  trans-71.981.8169178.50000109.4P958 I962P958-V960 PolarHBondContact O-N 3.03Å; V960-I962 VanDerWaalsContact C-N 3.29Å; V960-I962 HydrophobicContact CG1-CD1 3.97Å; V960-I962 HydrophobicContact CG1-CG1 3.96Å; V960-I962 PolarHBondContact O-N 2.84Å
961S28.1Very low27.7Very low104 Ų104127.4 Ų127.473%0.72771%0.709SS**  trans-76.871.9-175.4-63.50000112.3V959 G963V959-S961 VanDerWaalsContact C-N 3.26Å; V959-S961 WeakPolarHBondContact CG1-OG 3.36Å; V959-S961 PolarHBondContact O-N 3.01Å; V959-S961 PolarHBondContact O-OG 3.22Å; S961-G963 PolarHBondContact O-N 3.29Å; S961-G963 VanDerWaalsContact O-N 3.1Å
962I28.6Very low27.8Very low161 Ų161129 Ų12983%0.82671%0.708SS**  trans-71.5102171-65.3164.4000109.3V960V960-I962 VanDerWaalsContact C-N 3.29Å; V960-I962 HydrophobicContact CG1-CD1 3.97Å; V960-I962 HydrophobicContact CG1-CG1 3.96Å; V960-I962 PolarHBondContact O-N 2.84Å
963G27.8Very low27.8Very low52 Ų52129.4 Ų129.454%0.53671%0.71SS.*  trans117.7117.214500000118.9S961S961-G963 PolarHBondContact O-N 3.29Å; S961-G963 VanDerWaalsContact O-N 3.1Å
964T28.5Very low27.9Very low145 Ų145127.1 Ų127.189%0.8972%0.721SS**  trans87.1130.4140.3720000121.7
965R28.4Very low28.1Very low195 Ų195126.2 Ų126.274%0.73673%0.728SS**  trans82.788.2150.8-86.2-171.5170.9159.32.2122.1
966T27Very low28.5Very low108 Ų108128 Ų12866%0.66373%0.732SS**  65.2106.611654.90000121.4
967N26.4Very low28.8Very low153 Ų153125.1 Ų125.182%0.81872%0.721SS**  56.692.4122.2-57.415.4000119.9
968Q30.4Very low29Very low190 Ų190128.1 Ų128.189%0.88874%0.738SS**  trans-172.9132133.9-103.7165.926.600108.7
969S28.5Very low29.4Very low92 Ų92131.9 Ų131.964%0.64375%0.748SS**  cis180136.4-29.740.20000108.5
970I29.6Very low29.7Very low153 Ų153129.3 Ų129.379%0.78574%0.735SS**  trans80144.4158.5-63.1158.6000117.6
971N30.5Very low30Very low134 Ų134129.3 Ų129.372%0.71773%0.73SS**  trans66.3100.4-175.3-60.8-0.8000114.5
972E28Very low30.3Very low150 Ų150129.6 Ų129.670%0.70172%0.723SS**  85.5137.963-73.1-172.2152.400112.8K1910E972-K1910 IonicContact OE1-NZ 2.61Å; E972-K1910 PolarHBondContact OE1-NZ 3.01Å
973E27.2Very low30.4Very low189 Ų189130.3 Ų130.388%0.88372%0.716SS**  trans76.5126.8177.2-54.2-169.1139.600121
974S27.1Very low30.6Very low126 Ų126131.2 Ų131.288%0.88171%0.714SS**  trans82.4160.816282.60000122.4
975A30.2Very low31Very low83 Ų83126.6 Ų126.669%0.68669%0.69SS**  trans95.275.7160.700000122.4G977A975-G977 PolarHBondContact O-N 3.06Å; A975-G977 VanDerWaalsContact O-N 3.08Å
976N32.7Very low31.6Very low163 Ų163119.5 Ų119.587%0.87267%0.667SS**  32.561118.6-57.11.4000120
977G32.9Very low32.3Very low54 Ų54116.4 Ų116.456%0.55765%0.65SS**  trans-84.3-18-173.800000119.1A975 S980A975-G977 PolarHBondContact O-N 3.06Å; A975-G977 VanDerWaalsContact O-N 3.08Å; G977-S980 PolarHBondContact O-OG 3.15Å
978V33.5Very low33.4Very low118 Ų118110.8 Ų110.872%0.71562%0.619SS**THydrogen-bonded Turntrans-76.3-30.7-158.2-177.80000115S980V978-S980 PolarHBondContact O-N 3.06Å
979H35.1Very low34.4Very low163 Ų163103.9 Ų103.976%0.75559%0.587SS**Hα-helixtrans-68.4-3.4-171.7-63.8-71.4000115.8
980S34.2Very low35.5Very low61 Ų61102.7 Ų102.743%0.42758%0.576SS.*Hα-helixtrans-77.6-35.7-176.356.20000114.1G977 V978G977-S980 PolarHBondContact O-OG 3.15Å; V978-S980 PolarHBondContact O-N 3.06Å
981I34.9Very low37Very low121 Ų12196.2 Ų96.262%0.62154%0.544SS*.Hα-helixtrans-74.6-47-169.9-62.4177.2000111.5R983 S984I981-R983 VanDerWaalsContact C-N 3.29Å; I981-R983 PolarHBondContact O-N 2.87Å; I981-S984 WeakPolarHBondContact O-CB 3.49Å; I981-S984 PolarHBondContact O-N 2.91Å; I981-S984 PolarHBondContact O-OG 2.7Å
982N33.9Very low38.7Very low111 Ų11192.7 Ų92.759%0.59452%0.523SS*.Hα-helixtrans-59.8-35.8-174.6-687.7000112.8S984 A985 N986N982-S984 PolarHBondContact O-N 3.1Å; N982-A985 PolarHBondContact O-N 2.75Å; N982-N986 PolarHBondContact O-N 3.46Å; N982-N986 PolarHBondContact O-OD1 3.08Å; N982-N986 VanDerWaalsContact O-OD1 3.06Å
983R31.7Very low40.9Very low176 Ų17685.8 Ų85.866%0.66449%0.492SS*.Hα-helixtrans-55.1-27176-75.1-170.2175.6-164.4-1.6113.5I981I981-R983 VanDerWaalsContact C-N 3.29Å; I981-R983 PolarHBondContact O-N 2.87Å
984S31.6Very low43.3Very low71 Ų7177.3 Ų77.350%0.49745%0.453SS..Hα-helixtrans-80.5-18.9179.473.40000114.8I981 N982 N988I981-S984 WeakPolarHBondContact O-CB 3.49Å; I981-S984 PolarHBondContact O-N 2.91Å; I981-S984 PolarHBondContact O-OG 2.7Å; N982-S984 PolarHBondContact O-N 3.1Å; S984-N988 PolarHBondContact O-ND2 3.09Å
985A36.3Very low45.9Very low47 Ų4772.2 Ų72.239%0.38842%0.416SS..Hα-helixtrans-80.5-39.3174.500000111.4N982 S987 N988 Q989N982-A985 PolarHBondContact O-N 2.75Å; A985-S987 VanDerWaalsContact C-N 3.33Å; A985-S987 PolarHBondContact O-N 2.69Å; A985-N988 WeakPolarHBondContact O-CB 3.49Å; A985-N988 PolarHBondContact O-N 3.01Å; A985-Q989 PolarHBondContact O-N 3.17Å
986N41.5Very low48.3Very low47 Ų4769.5 Ų69.525%0.25139%0.39SS..Hα-helixtrans-60.9-36-171.2-64.19.9000113.5H791 N982 N988H791-N986 PolarHBondContact CD2-ND2 3.01Å; H791-N986 VanDerWaalsContact CD2-ND2 3.33Å; H791-N986 PolarHBondContact CE1-ND2 2.98Å; H791-N986 VanDerWaalsContact CE1-ND2 3.35Å; H791-N986 PolarHBondContact NE2-ND2 2.73Å; N982-N986 PolarHBondContact O-N 3.46Å; N982-N986 PolarHBondContact O-OD1 3.08Å; N982-N986 VanDerWaalsContact O-OD1 3.06Å; N986-N988 PolarHBondContact O-N 3.23Å
987S41.7Very low50.8Low43 Ų4361.8 Ų61.830%0.30135%0.348SS..Hα-helixtrans-66.3-18.7176.458.50000114A985A985-S987 VanDerWaalsContact C-N 3.33Å; A985-S987 PolarHBondContact O-N 2.69Å
988N49.1Very low53.3Low34 Ų3459.3 Ų59.318%0.18232%0.322CS..Hα-helixtrans-95.5-34.8-173.1-50.6-35.7000112S984 A985 N986 V990 S991 H992 L1052 H1056S984-N988 PolarHBondContact O-ND2 3.09Å; A985-N988 WeakPolarHBondContact O-CB 3.49Å; A985-N988 PolarHBondContact O-N 3.01Å; N986-N988 PolarHBondContact O-N 3.23Å; N988-V990 VanDerWaalsContact C-N 3.31Å; N988-V990 PolarHBondContact O-N 3.28Å; N988-S991 PolarHBondContact O-OG 3.04Å; N988-H992 PolarHBondContact O-CD2 3.09Å; N988-H992 PolarHBondContact O-N 3.33Å; N988-L1052 WeakPolarHBondContact OD1-CD2 3.44Å; N988-H1056 PolarHBondContact OD1-NE2 3.47Å; N988-H1056 VanDerWaalsContact OD1-NE2 3.07Å
989Q51.2Low55.8Low45 Ų4558.5 Ų58.521%0.2131%0.311CS..Hα-helixtrans-64.4-37.8179.1-69.1-178.2-3400111.8L809 A985L809-Q989 PolarHBondContact O-NE2 3.22Å; A985-Q989 PolarHBondContact O-N 3.17Å
990V53.1Low58.2Low67 Ų6750.8 Ų50.841%0.40628%0.275SS..Hα-helixtrans-66.5-38.9-178.71760000112.6P926 N988P926-V990 HydrophobicContact CG-CG1 3.73Å; N988-V990 VanDerWaalsContact C-N 3.31Å; N988-V990 PolarHBondContact O-N 3.28Å
991S60.2Low60.7Low17 Ų1748 Ų4812%0.11926%0.255CS..Hα-helixtrans-72.4-34.3-178.9550000112.9N988 L994 L995 H1056N988-S991 PolarHBondContact O-OG 3.04Å; S991-L994 PolarHBondContact O-N 2.95Å; S991-L995 WeakPolarHBondContact O-CG 3.02Å; S991-L995 PolarHBondContact O-N 3.18Å; S991-L995 VanDerWaalsContact O-N 3.07Å; S991-H1056 PolarHBondContact OG-CD2 3.3Å; S991-H1056 PolarHBondContact OG-CE1 3.4Å; S991-H1056 PolarHBondContact OG-ND1 3.39Å; S991-H1056 PolarHBondContact OG-NE2 2.9Å
992H66.5Low63.1Low61 Ų6143.1 Ų43.128%0.28223%0.231SC..Hα-helixtrans-61.5-46.7178.1-72.6-57.2000112F811 H869 N988 L994 L995 D996F811-H992 HydrophobicContact CE2-CB 4.33Å; F811-H992 AromaticContact CE2-CD2 3.59Å; H869-H992 VanDerWaalsContact CE1-CB 3.5Å; H869-H992 WeakPolarHBondContact CE1-CB 3.47Å; N988-H992 PolarHBondContact O-CD2 3.09Å; N988-H992 PolarHBondContact O-N 3.33Å; H992-L994 PolarHBondContact O-N 3.48Å; H992-L995 PolarHBondContact O-N 3.49Å; H992-D996 PolarHBondContact O-N 3.35Å
993G73.2Confident65.6Low4 Ų440.3 Ų40.34%0.04121%0.214CC..Hα-helixtrans-62-26.9177.800000115H869 S872 A997H869-G993 WeakPolarHBondContact ND1-CA 3.41Å; H869-G993 PolarHBondContact ND1-N 3.15Å; S872-G993 WeakPolarHBondContact CB-O 3.34Å; S872-G993 PolarHBondContact OG-O 3.42Å; G993-A997 PolarHBondContact O-N 3.3Å
994L79.1Confident68.1Low11 Ų1132 Ų326%0.05818%0.183CC..Hα-helixtrans-74.5-41.4171.5177.964.4000111.9L922 I925 W927 S991 H992 A997 L998 L1029 A1060L922-L994 HydrophobicContact CD2-CD1 4.07Å; I925-L994 HydrophobicContact CG2-CB 3.85Å; I925-L994 HydrophobicContact CG2-CD1 3.95Å; I925-L994 HydrophobicContact CG2-CG 4.44Å; W927-L994 HydrophobicContact CG-CD2 4.32Å; S991-L994 PolarHBondContact O-N 2.95Å; H992-L994 PolarHBondContact O-N 3.48Å; L994-A997 PolarHBondContact O-N 2.7Å; L994-L998 HydrophobicContact CD1-CD1 4.22Å; L994-L998 HydrophobicContact CD1-CG 4.4Å; L994-L998 HydrophobicContact CG-CD1 4.11Å; L994-L998 WeakPolarHBondContact O-CG 3.3Å; L994-L998 PolarHBondContact O-N 3.4Å; L994-L1029 HydrophobicContact CD1-CD2 4.05Å; L994-A1060 HydrophobicContact CD2-CB 3.85Å
995L80.7Confident70.6Confident20 Ų2028.7 Ų28.711%0.10516%0.159CC..Hα-helixtrans-64.9-47.9177.3-69.7167.4000110.9S991 H992 A997 L998 E999 H1059 A1063S991-L995 WeakPolarHBondContact O-CG 3.02Å; S991-L995 PolarHBondContact O-N 3.18Å; S991-L995 VanDerWaalsContact O-N 3.07Å; H992-L995 PolarHBondContact O-N 3.49Å; L995-A997 PolarHBondContact O-N 3.48Å; L995-L998 PolarHBondContact O-N 3.05Å; L995-L998 VanDerWaalsContact O-N 3.08Å; L995-E999 WeakPolarHBondContact O-CB 3.11Å; L995-E999 WeakPolarHBondContact O-CG 3.46Å; L995-E999 PolarHBondContact O-N 3.13Å; L995-H1059 HydrophobicContact CD1-CB 4.27Å; L995-H1059 HydrophobicContact CD2-CB 4.1Å; L995-A1063 HydrophobicContact CD2-CB 4.09Å
996D81.3Confident72.8Confident26 Ų2628.4 Ų28.414%0.13915%0.151CC..Hα-helixtrans-51.1-43.9175.5-61.1-35000111H869 R873 H992 T1000H869-D996 IonicContact CE1-OD2 2.73Å; H869-D996 PolarHBondContact CE1-OD2 3.29Å; H869-D996 IonicContact ND1-OD2 2.89Å; H869-D996 PolarHBondContact ND1-OD2 3.06Å; H869-D996 VanDerWaalsContact ND1-OD2 3.12Å; R873-D996 VanDerWaalsContact CG-OD2 3.25Å; R873-D996 WeakPolarHBondContact CG-OD2 3.12Å; R873-D996 IonicContact NE-OD2 3.69Å; H992-D996 PolarHBondContact O-N 3.35Å; D996-T1000 WeakPolarHBondContact O-CB 3.28Å; D996-T1000 PolarHBondContact O-N 2.93Å; D996-T1000 VanDerWaalsContact O-N 3.08Å; D996-T1000 PolarHBondContact O-OG1 3.25Å
997A85.1Confident74.6Confident0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-72.3-36.5179.400000113.7L922 I925 G993 L994 L995 T1000 V1001L922-A997 HydrophobicContact CD2-CB 3.75Å; L922-A997 HydrophobicContact CG-CB 4.47Å; I925-A997 HydrophobicContact CD1-CB 4.26Å; G993-A997 PolarHBondContact O-N 3.3Å; L994-A997 PolarHBondContact O-N 2.7Å; L995-A997 PolarHBondContact O-N 3.48Å; A997-T1000 WeakPolarHBondContact O-CB 3.25Å; A997-T1000 PolarHBondContact O-N 3.45Å; A997-V1001 PolarHBondContact O-N 3.18Å
998L85.9Confident76.2Confident3 Ų327.4 Ų27.42%0.01614%0.143CC..Hα-helixtrans-72.7-41.5175.9-71.5172.2000112L922 L994 L995 T1000 V1001 V1002 L1029 A1063 L1064 V1067L922-L998 HydrophobicContact CD2-CD2 4.19Å; L922-L998 HydrophobicContact CD2-CG 4.37Å; L994-L998 HydrophobicContact CD1-CD1 4.22Å; L994-L998 HydrophobicContact CD1-CG 4.4Å; L994-L998 HydrophobicContact CG-CD1 4.11Å; L994-L998 WeakPolarHBondContact O-CG 3.3Å; L994-L998 PolarHBondContact O-N 3.4Å; L995-L998 PolarHBondContact O-N 3.05Å; L995-L998 VanDerWaalsContact O-N 3.08Å; L998-T1000 PolarHBondContact O-N 2.76Å; L998-V1001 WeakPolarHBondContact O-CB 3.26Å; L998-V1001 PolarHBondContact O-N 3.08Å; L998-V1001 VanDerWaalsContact O-N 3.09Å; L998-V1002 PolarHBondContact O-N 3.22Å; L998-L1029 HydrophobicContact CD2-CD1 4.3Å; L998-A1063 HydrophobicContact CB-CB 4.01Å; L998-A1063 HydrophobicContact CD1-CB 3.98Å; L998-L1064 HydrophobicContact CD2-CD1 4.47Å; L998-V1067 HydrophobicContact CD2-CG2 4.37Å
999E84.9Confident77.4Confident101 Ų10126 Ų2647%0.47214%0.135SC..Hα-helixtrans-59.4-36.8172.2-73.2-176.6-164.500111L995 V1001 V1002 F1003L995-E999 WeakPolarHBondContact O-CB 3.11Å; L995-E999 WeakPolarHBondContact O-CG 3.46Å; L995-E999 PolarHBondContact O-N 3.13Å; E999-V1001 PolarHBondContact O-N 2.75Å; E999-V1002 PolarHBondContact O-N 3.29Å; E999-F1003 WeakPolarHBondContact O-CB 3.31Å; E999-F1003 PolarHBondContact O-N 3.08Å
1000T85.7Confident78.4Confident0 Ų027.7 Ų27.70%014%0.143CC..Hα-helixtrans-61.4-40.8173-55.30000112.8V875 H876 A879 L918 D996 A997 L998 F1003 L1004V875-T1000 HydrophobicContact CG1-CG2 4.24Å; H876-T1000 WeakPolarHBondContact CA-OG1 3.35Å; H876-T1000 VanDerWaalsContact CB-OG1 3.27Å; H876-T1000 WeakPolarHBondContact CB-OG1 3.12Å; A879-T1000 HydrophobicContact CB-CG2 3.48Å; A879-T1000 VanDerWaalsContact CB-CG2 3.48Å; L918-T1000 HydrophobicContact CD1-CG2 4Å; L918-T1000 HydrophobicContact CD2-CG2 3.95Å; D996-T1000 WeakPolarHBondContact O-CB 3.28Å; D996-T1000 PolarHBondContact O-N 2.93Å; D996-T1000 VanDerWaalsContact O-N 3.08Å; D996-T1000 PolarHBondContact O-OG1 3.25Å; A997-T1000 WeakPolarHBondContact O-CB 3.25Å; A997-T1000 PolarHBondContact O-N 3.45Å; L998-T1000 PolarHBondContact O-N 2.76Å; T1000-F1003 PolarHBondContact O-N 2.95Å; T1000-L1004 HydrophobicContact CG2-CD1 4.48Å; T1000-L1004 WeakPolarHBondContact O-CG 3.25Å; T1000-L1004 PolarHBondContact O-N 2.63Å
1001V86.3Confident79.2Confident2 Ų225.9 Ų25.91%0.01214%0.137CC..Hα-helixtrans-64.7-43.3174.81730000110.8L918 L922 A997 L998 E999 F1003 L1004 L1005 M1018 L1022 V1067L918-V1001 HydrophobicContact CD1-CG2 4.29Å; L918-V1001 HydrophobicContact CD2-CG2 4.43Å; L922-V1001 HydrophobicContact CD1-CG2 4.16Å; A997-V1001 PolarHBondContact O-N 3.18Å; L998-V1001 WeakPolarHBondContact O-CB 3.26Å; L998-V1001 PolarHBondContact O-N 3.08Å; L998-V1001 VanDerWaalsContact O-N 3.09Å; E999-V1001 PolarHBondContact O-N 2.75Å; V1001-F1003 VanDerWaalsContact C-N 3.32Å; V1001-F1003 PolarHBondContact O-N 2.88Å; V1001-L1004 PolarHBondContact O-N 2.69Å; V1001-L1005 HydrophobicContact CG1-CD1 3.91Å; V1001-L1005 WeakPolarHBondContact O-CB 3.28Å; V1001-L1005 WeakPolarHBondContact O-CD1 3.33Å; V1001-L1005 VanDerWaalsContact O-CG 3.28Å; V1001-L1005 WeakPolarHBondContact O-CG 3.23Å; V1001-L1005 PolarHBondContact O-N 3.27Å; V1001-L1005 VanDerWaalsContact O-N 3.07Å; V1001-M1018 HydrophobicContact CB-CE 4.38Å; V1001-M1018 HydrophobicContact CG1-CE 3.95Å; V1001-M1018 HydrophobicContact CG2-CE 4.39Å; V1001-L1022 HydrophobicContact CG1-CD1 4.12Å; V1001-L1022 HydrophobicContact CG2-CD1 4.06Å; V1001-V1067 HydrophobicContact CB-CG2 4.23Å; V1001-V1067 HydrophobicContact CG1-CG1 3.84Å; V1001-V1067 HydrophobicContact CG1-CG2 3.97Å
1002V85.7Confident79.8Confident20 Ų2027.1 Ų27.112%0.12114%0.144CC..Hα-helixtrans-60.7-40174.4174.70000111.5L998 E999 N1006 E1066 V1067L998-V1002 PolarHBondContact O-N 3.22Å; E999-V1002 PolarHBondContact O-N 3.29Å; V1002-N1006 WeakPolarHBondContact CG1-ND2 3.24Å; V1002-N1006 PolarHBondContact O-N 3.26Å; V1002-N1006 PolarHBondContact O-ND2 3.39Å; V1002-E1066 HydrophobicContact CG1-CG 4.32Å; V1002-E1066 HydrophobicContact CG2-CG 4.25Å; V1002-V1067 HydrophobicContact CG2-CB 4.47Å; V1002-V1067 HydrophobicContact CG2-CG2 3.58Å
1003F85.9Confident80.1Confident51 Ų5129 Ų2922%0.22416%0.156CC..Hα-helixtrans-64.4-51.5177.9-170.6-82.9000111.8A879 Q880 E999 T1000 V1001 L1005 N1006 N1007 H1008A879-F1003 HydrophobicContact CB-CD1 4.32Å; A879-F1003 WeakPolarHBondContact O-CE1 3.12Å; Q880-F1003 HydrophobicContact CB-CE1 4.48Å; Q880-F1003 HydrophobicContact CB-CZ 4.2Å; Q880-F1003 HydrophobicContact CG-CD2 4.28Å; Q880-F1003 HydrophobicContact CG-CE1 4.27Å; Q880-F1003 HydrophobicContact CG-CE2 3.85Å; Q880-F1003 HydrophobicContact CG-CZ 3.85Å; E999-F1003 WeakPolarHBondContact O-CB 3.31Å; E999-F1003 PolarHBondContact O-N 3.08Å; T1000-F1003 PolarHBondContact O-N 2.95Å; V1001-F1003 VanDerWaalsContact C-N 3.32Å; V1001-F1003 PolarHBondContact O-N 2.88Å; F1003-L1005 VanDerWaalsContact C-N 3.32Å; F1003-L1005 PolarHBondContact O-N 3.25Å; F1003-N1006 PolarHBondContact O-N 3Å; F1003-N1007 HydrophobicContact CD1-CB 4.47Å; F1003-N1007 WeakPolarHBondContact CD2-ND2 3.18Å; F1003-N1007 HydrophobicContact CE1-CB 4.21Å; F1003-N1007 WeakPolarHBondContact CE1-ND2 3.44Å; F1003-N1007 WeakPolarHBondContact CE2-ND2 3.37Å; F1003-N1007 WeakPolarHBondContact CZ-ND2 3.34Å; F1003-N1007 WeakPolarHBondContact O-CB 3.23Å; F1003-N1007 PolarHBondContact O-N 3.4Å; F1003-H1008 AromaticContact CD1-NE2 3.79Å; F1003-H1008 AromaticContact CE1-NE2 3.29Å; F1003-H1008 VanDerWaalsContact CE1-NE2 3.29Å; F1003-H1008 WeakPolarHBondContact CE1-NE2 3.36Å
1004L84.6Confident80.2Confident2 Ų229.1 Ų29.11%0.0116%0.156CC..Hα-helixtrans-58.3-43.6178.9-74.4176.1000112.3A879 L914 L918 T1000 V1001 H1008 L1009 M1018A879-L1004 HydrophobicContact CB-CD1 4.45Å; A879-L1004 HydrophobicContact CB-CD2 3.79Å; A879-L1004 HydrophobicContact CB-CG 3.94Å; L914-L1004 HydrophobicContact CD2-CD1 4.06Å; L914-L1004 HydrophobicContact CD2-CD2 3.94Å; L914-L1004 HydrophobicContact CG-CD1 4.29Å; L918-L1004 HydrophobicContact CD1-CD1 3.45Å; L918-L1004 VanDerWaalsContact CD1-CD1 3.45Å; T1000-L1004 HydrophobicContact CG2-CD1 4.48Å; T1000-L1004 WeakPolarHBondContact O-CG 3.25Å; T1000-L1004 PolarHBondContact O-N 2.63Å; V1001-L1004 PolarHBondContact O-N 2.69Å; L1004-H1008 PolarHBondContact O-N 3.22Å; L1004-H1008 VanDerWaalsContact O-N 3.1Å; L1004-L1009 PolarHBondContact O-N 2.77Å; L1004-L1009 VanDerWaalsContact O-N 3.15Å; L1004-M1018 HydrophobicContact CB-CE 3.75Å; L1004-M1018 HydrophobicContact CD1-CE 3.86Å; L1004-M1018 HydrophobicContact CG-CE 4.48Å
1005L83.8Confident80.2Confident1 Ų128.6 Ų28.61%0.00515%0.154CC..Hα-helixtrans-60.6-48.4175.4-74.2166.5000112.1V1001 F1003 L1009 V1015 M1018 V1067 C1070 I1071 Q1074V1001-L1005 HydrophobicContact CG1-CD1 3.91Å; V1001-L1005 WeakPolarHBondContact O-CB 3.28Å; V1001-L1005 WeakPolarHBondContact O-CD1 3.33Å; V1001-L1005 VanDerWaalsContact O-CG 3.28Å; V1001-L1005 WeakPolarHBondContact O-CG 3.23Å; V1001-L1005 PolarHBondContact O-N 3.27Å; V1001-L1005 VanDerWaalsContact O-N 3.07Å; F1003-L1005 VanDerWaalsContact C-N 3.32Å; F1003-L1005 PolarHBondContact O-N 3.25Å; L1005-L1009 HydrophobicContact CD2-CD1 4.27Å; L1005-V1015 HydrophobicContact CD2-CG1 4.03Å; L1005-V1015 HydrophobicContact CD2-CG2 4.48Å; L1005-M1018 HydrophobicContact CD2-SD 3.67Å; L1005-M1018 HydrophobicContact CG-SD 3.81Å; L1005-V1067 HydrophobicContact CD1-CG1 4.45Å; L1005-C1070 HydrophobicContact CB-CB 4.19Å; L1005-C1070 HydrophobicContact CD1-CB 3.97Å; L1005-I1071 HydrophobicContact CD1-CG1 3.66Å; L1005-I1071 HydrophobicContact CD2-CG1 4.06Å; L1005-Q1074 WeakPolarHBondContact O-CG 3.35Å; L1005-Q1074 PolarHBondContact O-NE2 3.14Å
1006N82.6Confident80.1Confident42 Ų4228.9 Ų28.923%0.22516%0.155CC..Hα-helixtrans-71.2-37.7-176.9-77.1-69.6000113.2V1002 F1003 H1010 C1070 K1073 Q1074V1002-N1006 WeakPolarHBondContact CG1-ND2 3.24Å; V1002-N1006 PolarHBondContact O-N 3.26Å; V1002-N1006 PolarHBondContact O-ND2 3.39Å; F1003-N1006 PolarHBondContact O-N 3Å; N1006-H1010 PolarHBondContact O-CE1 3.39Å; N1006-C1070 PolarHBondContact ND2-SG 3.36Å; N1006-K1073 PolarHBondContact OD1-NZ 3.07Å; N1006-Q1074 PolarHBondContact O-NE2 2.87Å
1007N79.6Confident80Confident65 Ų6528.3 Ų28.335%0.34815%0.153SC..Hα-helixtrans-105.8-28.4-164.4-65.4-25.6000115.7F1003F1003-N1007 HydrophobicContact CD1-CB 4.47Å; F1003-N1007 WeakPolarHBondContact CD2-ND2 3.18Å; F1003-N1007 HydrophobicContact CE1-CB 4.21Å; F1003-N1007 WeakPolarHBondContact CE1-ND2 3.44Å; F1003-N1007 WeakPolarHBondContact CE2-ND2 3.37Å; F1003-N1007 WeakPolarHBondContact CZ-ND2 3.34Å; F1003-N1007 WeakPolarHBondContact O-CB 3.23Å; F1003-N1007 PolarHBondContact O-N 3.4Å
1008H75.6Confident79.9Confident4 Ų428.4 Ų28.42%0.01915%0.154CC..THydrogen-bonded Turntrans-118-29.1-173.1-49.9-96.1000112.5A882 E883 L911 F1003 L1004A882-H1008 PolarHBondContact O-CE1 3.2Å; E883-H1008 PolarHBondContact O-ND1 3.35Å; L911-H1008 HydrophobicContact CD1-CB 3.87Å; F1003-H1008 AromaticContact CD1-NE2 3.79Å; F1003-H1008 AromaticContact CE1-NE2 3.29Å; F1003-H1008 VanDerWaalsContact CE1-NE2 3.29Å; F1003-H1008 WeakPolarHBondContact CE1-NE2 3.36Å; L1004-H1008 PolarHBondContact O-N 3.22Å; L1004-H1008 VanDerWaalsContact O-N 3.1Å
1009L74.8Confident79.9Confident3 Ų328.8 Ų28.82%0.01616%0.155CC..  trans-98.7102-175.9-59.1175.7000111.2L908 L911 L1004 L1005 V1015 M1018 Q1074L908-L1009 HydrophobicContact CD2-CD2 3.74Å; L911-L1009 HydrophobicContact CD1-CD2 4.39Å; L1004-L1009 PolarHBondContact O-N 2.77Å; L1004-L1009 VanDerWaalsContact O-N 3.15Å; L1005-L1009 HydrophobicContact CD2-CD1 4.27Å; L1009-V1015 HydrophobicContact CB-CG2 3.83Å; L1009-M1018 HydrophobicContact CD1-CB 3.82Å; L1009-M1018 HydrophobicContact CD1-CE 4.32Å; L1009-M1018 HydrophobicContact CD1-CG 3.92Å; L1009-M1018 HydrophobicContact CD1-SD 3.33Å; L1009-M1018 WeakPolarHBondContact CD1-SD 3.38Å; L1009-Q1074 PolarHBondContact O-NE2 2.82Å
1010H71Confident79.8Confident82 Ų8227.3 Ų27.338%0.3816%0.156SC..  trans-116.1-13.9179.3-62.6-15.9000114N1006N1006-H1010 PolarHBondContact O-CE1 3.39Å
1011G70.4Confident79.7Confident28 Ų2830 Ų3029%0.28917%0.168SC..SBendtrans-85.7136.7171.800000111.3D1013 S1014 V1015G1011-D1013 PolarHBondContact O-N 3.37Å; G1011-S1014 PolarHBondContact O-N 3.21Å; G1011-V1015 WeakPolarHBondContact O-CG2 3.28Å; G1011-V1015 PolarHBondContact O-N 2.85Å
1012T72.8Confident79.6Confident43 Ų4330 Ų3026%0.26417%0.168SC..Hα-helixtrans-55.1-40.6174.638.80000111.7V1015 L1016T1012-V1015 PolarHBondContact O-N 2.9Å; T1012-L1016 WeakPolarHBondContact O-CB 3.4Å; T1012-L1016 WeakPolarHBondContact O-CG 3.46Å; T1012-L1016 PolarHBondContact O-N 3.32Å
1013D72.8Confident79.5Confident101 Ų10133 Ų3354%0.5418%0.18SC..Hα-helixtrans-74.8-35.7-171.9-46.1-7.8000110.2G1011 S1017G1011-D1013 PolarHBondContact O-N 3.37Å; D1013-S1017 VanDerWaalsContact O-CB 3.31Å; D1013-S1017 WeakPolarHBondContact O-CB 3.28Å; D1013-S1017 PolarHBondContact O-N 2.96Å
1014S74.9Confident79.4Confident6 Ų633.6 Ų33.64%0.04219%0.191CC..Hα-helixtrans-70.2-37.3172.4-480000112P907 L908 G1011 S1017 M1018P907-S1014 PolarHBondContact O-OG 3.01Å; P907-S1014 VanDerWaalsContact O-OG 3.1Å; L908-S1014 WeakPolarHBondContact CD2-O 3.34Å; G1011-S1014 PolarHBondContact O-N 3.21Å; S1014-S1017 PolarHBondContact O-N 2.78Å; S1014-M1018 PolarHBondContact O-N 3.32Å
1015V79.9Confident79.4Confident1 Ų133.5 Ų33.51%0.00619%0.19CC..Hα-helixtrans-67.3-42.5172.8176.80000111.1L1005 L1009 G1011 T1012 S1017 M1018 F1019 I1071 Q1074 M1075L1005-V1015 HydrophobicContact CD2-CG1 4.03Å; L1005-V1015 HydrophobicContact CD2-CG2 4.48Å; L1009-V1015 HydrophobicContact CB-CG2 3.83Å; G1011-V1015 WeakPolarHBondContact O-CG2 3.28Å; G1011-V1015 PolarHBondContact O-N 2.85Å; T1012-V1015 PolarHBondContact O-N 2.9Å; V1015-S1017 VanDerWaalsContact C-N 3.35Å; V1015-S1017 PolarHBondContact O-N 3.07Å; V1015-M1018 PolarHBondContact O-N 2.67Å; V1015-F1019 PolarHBondContact O-N 3.42Å; V1015-I1071 HydrophobicContact CG1-CG2 4.2Å; V1015-Q1074 HydrophobicContact CG2-CB 3.96Å; V1015-M1075 HydrophobicContact CG1-CE 3.79Å; V1015-M1075 HydrophobicContact CG1-CG 4.06Å
1016L79.4Confident79.5Confident26 Ų2633.5 Ų33.514%0.13619%0.19CC..Hα-helixtrans-60.5-42.1172.4-80.3165.4000111.8T1012 M1018 F1019 S1020 M1075 Q1122 Y1123 I1126T1012-L1016 WeakPolarHBondContact O-CB 3.4Å; T1012-L1016 WeakPolarHBondContact O-CG 3.46Å; T1012-L1016 PolarHBondContact O-N 3.32Å; L1016-M1018 VanDerWaalsContact C-N 3.35Å; L1016-F1019 PolarHBondContact O-N 2.86Å; L1016-S1020 PolarHBondContact O-N 3.27Å; L1016-S1020 PolarHBondContact O-OG 2.85Å; L1016-M1075 HydrophobicContact CD2-CE 3.62Å; L1016-M1075 HydrophobicContact CG-CE 3.76Å; L1016-Q1122 HydrophobicContact CD1-CB 4.13Å; L1016-Q1122 HydrophobicContact CD2-CB 4.09Å; L1016-Q1122 WeakPolarHBondContact CD2-O 3.2Å; L1016-Y1123 HydrophobicContact CD1-CE1 4.29Å; L1016-Y1123 HydrophobicContact CD2-CD1 4.08Å; L1016-Y1123 HydrophobicContact CD2-CE1 4.01Å; L1016-Y1123 HydrophobicContact CG-CE1 4.4Å; L1016-I1126 HydrophobicContact CD2-CD1 4.33Å
1017S79.4Confident79.5Confident13 Ų1334.6 Ų34.69%0.09120%0.199CC..Hα-helixtrans-71.8-24176.6-176.90000114D1013 S1014 V1015 S1020 K1021D1013-S1017 VanDerWaalsContact O-CB 3.31Å; D1013-S1017 WeakPolarHBondContact O-CB 3.28Å; D1013-S1017 PolarHBondContact O-N 2.96Å; S1014-S1017 PolarHBondContact O-N 2.78Å; V1015-S1017 VanDerWaalsContact C-N 3.35Å; V1015-S1017 PolarHBondContact O-N 3.07Å; S1017-S1020 PolarHBondContact O-OG 2.9Å; S1017-K1021 WeakPolarHBondContact O-CG 3.28Å
1018M83.1Confident79.6Confident3 Ų334.2 Ų34.22%0.01519%0.192CC..Hα-helixtrans-72.8-45.5168.5-167-160.7-164.700109.9L908 V915 V1001 L1004 L1005 L1009 S1014 V1015 L1016 K1021 L1022L908-M1018 HydrophobicContact CD2-CB 4.22Å; V915-M1018 HydrophobicContact CG1-CG 4Å; V915-M1018 HydrophobicContact CG2-CE 4.39Å; V915-M1018 HydrophobicContact CG2-CG 4.02Å; V1001-M1018 HydrophobicContact CB-CE 4.38Å; V1001-M1018 HydrophobicContact CG1-CE 3.95Å; V1001-M1018 HydrophobicContact CG2-CE 4.39Å; L1004-M1018 HydrophobicContact CB-CE 3.75Å; L1004-M1018 HydrophobicContact CD1-CE 3.86Å; L1004-M1018 HydrophobicContact CG-CE 4.48Å; L1005-M1018 HydrophobicContact CD2-SD 3.67Å; L1005-M1018 HydrophobicContact CG-SD 3.81Å; L1009-M1018 HydrophobicContact CD1-CB 3.82Å; L1009-M1018 HydrophobicContact CD1-CE 4.32Å; L1009-M1018 HydrophobicContact CD1-CG 3.92Å; L1009-M1018 HydrophobicContact CD1-SD 3.33Å; L1009-M1018 WeakPolarHBondContact CD1-SD 3.38Å; S1014-M1018 PolarHBondContact O-N 3.32Å; V1015-M1018 PolarHBondContact O-N 2.67Å; L1016-M1018 VanDerWaalsContact C-N 3.35Å; M1018-K1021 PolarHBondContact O-N 3.07Å; M1018-L1022 HydrophobicContact CE-CD1 3.97Å; M1018-L1022 HydrophobicContact CG-CD1 3.98Å; M1018-L1022 WeakPolarHBondContact O-CG 3.47Å; M1018-L1022 PolarHBondContact O-N 2.9Å; M1018-L1022 HydrophobicContact SD-CD1 4.31Å
1019F84.4Confident79.9Confident11 Ų1134.1 Ų34.15%0.04819%0.192CC..Hα-helixtrans-60.5-48178.4-179.6-92.6000112V1015 L1016 K1021 L1022 E1023 L1026 I1071 A1125 I1126 L1129V1015-F1019 PolarHBondContact O-N 3.42Å; L1016-F1019 PolarHBondContact O-N 2.86Å; F1019-K1021 VanDerWaalsContact C-N 3.26Å; F1019-K1021 PolarHBondContact O-N 3.04Å; F1019-L1022 CarbonylContact O-C 3.38Å; F1019-L1022 PolarHBondContact O-N 3.01Å; F1019-E1023 HydrophobicContact CE1-CB 4.19Å; F1019-E1023 HydrophobicContact CE1-CG 3.95Å; F1019-E1023 HydrophobicContact CZ-CG 4.17Å; F1019-E1023 WeakPolarHBondContact O-CA 3.33Å; F1019-E1023 PolarHBondContact O-N 3.07Å; F1019-L1026 HydrophobicContact CD2-CD1 4.04Å; F1019-L1026 HydrophobicContact CE2-CD1 4.01Å; F1019-I1071 HydrophobicContact CD2-CD1 4.1Å; F1019-A1125 HydrophobicContact CE1-CB 3.88Å; F1019-A1125 HydrophobicContact CZ-CB 4.42Å; F1019-I1126 HydrophobicContact CB-CD1 4.42Å; F1019-I1126 HydrophobicContact CD1-CD1 4.08Å; F1019-I1126 HydrophobicContact CD1-CG1 3.65Å; F1019-I1126 HydrophobicContact CD2-CD1 4.32Å; F1019-I1126 HydrophobicContact CD2-CG1 4Å; F1019-I1126 HydrophobicContact CE1-CG1 3.61Å; F1019-I1126 HydrophobicContact CE2-CG1 3.94Å; F1019-I1126 HydrophobicContact CE2-CG2 4.48Å; F1019-I1126 HydrophobicContact CG-CD1 3.97Å; F1019-I1126 HydrophobicContact CG-CG1 3.85Å; F1019-I1126 HydrophobicContact CZ-CB 4.38Å; F1019-I1126 HydrophobicContact CZ-CG1 3.76Å; F1019-L1129 HydrophobicContact CE2-CD2 4.07Å; F1019-L1129 HydrophobicContact CZ-CD2 4.03Å
1020S83.2Confident80.1Confident70 Ų7034 Ų3449%0.4919%0.191SC..Hα-helixtrans-63.2-30.5-179.263.10000113.3L1016 S1017L1016-S1020 PolarHBondContact O-N 3.27Å; L1016-S1020 PolarHBondContact O-OG 2.85Å; S1017-S1020 PolarHBondContact O-OG 2.9Å
1021K83.5Confident80.5Confident56 Ų5635.2 Ų35.224%0.24320%0.197CC..Hα-helixtrans-75.9-26.2172.1-70.9-172.2-175.9-171.80113.4L908 T912 V915 N919 S1017 M1018 F1019L908-K1021 HydrophobicContact CD1-CD 3.83Å; T912-K1021 PolarHBondContact OG1-NZ 3.47Å; V915-K1021 HydrophobicContact CG1-CB 3.73Å; V915-K1021 HydrophobicContact CG1-CD 4.13Å; N919-K1021 PolarHBondContact ND2-O 2.93Å; N919-K1021 PolarHBondContact OD1-O 3.24Å; S1017-K1021 WeakPolarHBondContact O-CG 3.28Å; M1018-K1021 PolarHBondContact O-N 3.07Å; F1019-K1021 VanDerWaalsContact C-N 3.26Å; F1019-K1021 PolarHBondContact O-N 3.04Å
1022L85.4Confident80.8Confident2 Ų234.5 Ų34.51%0.0119%0.188CC..Hα-helixtrans-98-0.7177.5-65.8177.4000113.8V915 L918 N919 L922 V1001 M1018 F1019 S1024 S1025 L1026V915-L1022 HydrophobicContact CG1-CG 4.25Å; L918-L1022 HydrophobicContact CB-CD2 4.31Å; N919-L1022 HydrophobicContact CB-CD2 3.85Å; L922-L1022 HydrophobicContact CD1-CD2 4.46Å; V1001-L1022 HydrophobicContact CG1-CD1 4.12Å; V1001-L1022 HydrophobicContact CG2-CD1 4.06Å; M1018-L1022 HydrophobicContact CE-CD1 3.97Å; M1018-L1022 HydrophobicContact CG-CD1 3.98Å; M1018-L1022 WeakPolarHBondContact O-CG 3.47Å; M1018-L1022 PolarHBondContact O-N 2.9Å; M1018-L1022 HydrophobicContact SD-CD1 4.31Å; F1019-L1022 CarbonylContact O-C 3.38Å; F1019-L1022 PolarHBondContact O-N 3.01Å; L1022-S1024 VanDerWaalsContact C-N 3.28Å; L1022-S1024 PolarHBondContact O-N 3.06Å; L1022-S1025 PolarHBondContact O-N 3.24Å; L1022-S1025 PolarHBondContact O-OG 2.88Å; L1022-L1026 HydrophobicContact CB-CD1 3.84Å; L1022-L1026 HydrophobicContact CB-CG 4.12Å; L1022-L1026 WeakPolarHBondContact O-CB 3.07Å; L1022-L1026 WeakPolarHBondContact O-CG 3.34Å; L1022-L1026 PolarHBondContact O-N 3.33Å
1023E83.7Confident80.9Confident82 Ų8232.7 Ų32.738%0.38318%0.176SC..Hα-helixtrans-59.9-38-171.6-172.7174.7161.100112.1F1019 T1027F1019-E1023 HydrophobicContact CE1-CB 4.19Å; F1019-E1023 HydrophobicContact CE1-CG 3.95Å; F1019-E1023 HydrophobicContact CZ-CG 4.17Å; F1019-E1023 WeakPolarHBondContact O-CA 3.33Å; F1019-E1023 PolarHBondContact O-N 3.07Å; E1023-T1027 WeakPolarHBondContact O-CB 3.41Å; E1023-T1027 PolarHBondContact O-N 3.35Å; E1023-T1027 PolarHBondContact O-OG1 3.47Å
1024S83.8Confident80.9Confident64 Ų6428.5 Ų28.545%0.44815%0.154SC..Hα-helixtrans-71.4-43.1178.8570000113.2N919 L1022 R1028N919-S1024 PolarHBondContact ND2-OG 2.86Å; L1022-S1024 VanDerWaalsContact C-N 3.28Å; L1022-S1024 PolarHBondContact O-N 3.06Å; S1024-R1028 WeakPolarHBondContact O-CB 3.29Å; S1024-R1028 PolarHBondContact O-N 2.98Å
1025S84.2Confident80.7Confident0 Ų030.6 Ų30.60%016%0.164CC..Hα-helixtrans-67.9-45.3174.848.80000112.1N919 L1022 T1027 R1028 L1029N919-S1025 WeakPolarHBondContact OD1-CB 3.47Å; N919-S1025 PolarHBondContact OD1-OG 3.45Å; L1022-S1025 PolarHBondContact O-N 3.24Å; L1022-S1025 PolarHBondContact O-OG 2.88Å; S1025-T1027 VanDerWaalsContact C-N 3.31Å; S1025-T1027 PolarHBondContact O-N 2.98Å; S1025-R1028 WeakPolarHBondContact O-CB 3.18Å; S1025-R1028 PolarHBondContact O-N 3.28Å; S1025-L1029 WeakPolarHBondContact O-CB 3.49Å; S1025-L1029 WeakPolarHBondContact O-CG 3.45Å; S1025-L1029 PolarHBondContact O-N 3.39Å
1026L84.7Confident80Confident1 Ų130.9 Ų30.91%0.00517%0.166CC..Hα-helixtrans-63.9-36.5176.9-65.9172.4000111.6F1019 L1022 L1029 V1030 L1064 V1067 L1129F1019-L1026 HydrophobicContact CD2-CD1 4.04Å; F1019-L1026 HydrophobicContact CE2-CD1 4.01Å; L1022-L1026 HydrophobicContact CB-CD1 3.84Å; L1022-L1026 HydrophobicContact CB-CG 4.12Å; L1022-L1026 WeakPolarHBondContact O-CB 3.07Å; L1022-L1026 WeakPolarHBondContact O-CG 3.34Å; L1022-L1026 PolarHBondContact O-N 3.33Å; L1026-L1029 PolarHBondContact O-N 3.11Å; L1026-V1030 WeakPolarHBondContact O-CB 3.23Å; L1026-V1030 WeakPolarHBondContact O-CG2 3.22Å; L1026-V1030 PolarHBondContact O-N 3.12Å; L1026-L1064 HydrophobicContact CD2-CD1 3.9Å; L1026-V1067 HydrophobicContact CD2-CG1 4.3Å; L1026-L1129 HydrophobicContact CB-CD2 3.83Å
1027T83.7Confident79.4Confident65 Ų6531.8 Ų31.840%0.39917%0.17SC..Hα-helixtrans-66-44.1173.5-61.40000112.2E1023 S1025 L1029 H1031E1023-T1027 WeakPolarHBondContact O-CB 3.41Å; E1023-T1027 PolarHBondContact O-N 3.35Å; E1023-T1027 PolarHBondContact O-OG1 3.47Å; S1025-T1027 VanDerWaalsContact C-N 3.31Å; S1025-T1027 PolarHBondContact O-N 2.98Å; T1027-L1029 PolarHBondContact O-N 3.19Å; T1027-H1031 VanDerWaalsContact O-CB 3.28Å; T1027-H1031 WeakPolarHBondContact O-CB 3.4Å; T1027-H1031 PolarHBondContact O-N 3.4Å
1028R81.3Confident78.9Confident57 Ų5733.1 Ų33.122%0.21517%0.174CC..Hα-helixtrans-55.7-49.9171178.1-172.5-178.6-118.410.5110.7L922 L923 Y924 I925 S1024 S1025 H1031 C1032L922-R1028 PolarHBondContact O-NH1 3.45Å; L923-R1028 PolarHBondContact O-NE 3.43Å; L923-R1028 VanDerWaalsContact O-NE 3.15Å; L923-R1028 PolarHBondContact O-NH1 3Å; L923-R1028 VanDerWaalsContact O-NH1 3.09Å; L923-R1028 PolarHBondContact O-NH2 3.11Å; Y924-R1028 PolarHBondContact O-NH2 3.3Å; I925-R1028 PolarHBondContact O-NH1 3.44Å; I925-R1028 PolarHBondContact O-NH2 2.89Å; S1024-R1028 WeakPolarHBondContact O-CB 3.29Å; S1024-R1028 PolarHBondContact O-N 2.98Å; S1025-R1028 WeakPolarHBondContact O-CB 3.18Å; S1025-R1028 PolarHBondContact O-N 3.28Å; R1028-H1031 PolarHBondContact O-N 3.35Å; R1028-C1032 WeakPolarHBondContact O-CB 3.33Å; R1028-C1032 PolarHBondContact O-N 3.11Å; R1028-C1032 PolarHBondContact O-SG 2.66Å
1029L81.9Confident78Confident2 Ų234.9 Ų34.91%0.0119%0.189CC..Hα-helixtrans-65.4-45-176.3-70.3168.7000112.8L922 W927 L994 L998 S1025 L1026 T1027 C1032 C1033 L1064L922-L1029 HydrophobicContact CB-CD1 4.16Å; L922-L1029 HydrophobicContact CD1-CD1 4.49Å; L922-L1029 HydrophobicContact CD2-CD1 4.13Å; L922-L1029 HydrophobicContact CG-CD1 4.49Å; W927-L1029 HydrophobicContact CB-CD2 4.37Å; W927-L1029 HydrophobicContact CG-CD2 4.04Å; L994-L1029 HydrophobicContact CD1-CD2 4.05Å; L998-L1029 HydrophobicContact CD2-CD1 4.3Å; S1025-L1029 WeakPolarHBondContact O-CB 3.49Å; S1025-L1029 WeakPolarHBondContact O-CG 3.45Å; S1025-L1029 PolarHBondContact O-N 3.39Å; L1026-L1029 PolarHBondContact O-N 3.11Å; T1027-L1029 PolarHBondContact O-N 3.19Å; L1029-C1032 PolarHBondContact O-N 3.22Å; L1029-C1033 PolarHBondContact O-N 3.32Å; L1029-C1033 PolarHBondContact O-SG 3.13Å; L1029-L1064 HydrophobicContact CB-CD2 4.32Å
1030V79.9Confident77Confident0 Ų038.1 Ų38.10%021%0.209CC..Hα-helixtrans-65.8-42.3176.7170.80000111.1L1026 C1032 C1033 V1034 L1064 F1068 L1129 T1132 L1133L1026-V1030 WeakPolarHBondContact O-CB 3.23Å; L1026-V1030 WeakPolarHBondContact O-CG2 3.22Å; L1026-V1030 PolarHBondContact O-N 3.12Å; V1030-C1032 VanDerWaalsContact C-N 3.34Å; V1030-C1032 PolarHBondContact O-N 3.07Å; V1030-C1033 WeakPolarHBondContact O-CB 3.31Å; V1030-C1033 PolarHBondContact O-N 2.96Å; V1030-V1034 WeakPolarHBondContact O-CG2 3.19Å; V1030-V1034 PolarHBondContact O-N 3.32Å; V1030-L1064 HydrophobicContact CG2-CD2 3.87Å; V1030-L1064 HydrophobicContact CG2-CG 4.49Å; V1030-F1068 HydrophobicContact CG2-CE2 3.8Å; V1030-F1068 HydrophobicContact CG2-CZ 3.91Å; V1030-L1129 HydrophobicContact CB-CD1 3.69Å; V1030-L1129 HydrophobicContact CB-CG 4.46Å; V1030-L1129 HydrophobicContact CG1-CD1 3.91Å; V1030-L1129 HydrophobicContact CG2-CD1 3.8Å; V1030-L1129 HydrophobicContact CG2-CG 4.04Å; V1030-T1132 HydrophobicContact CG1-CG2 3.95Å; V1030-L1133 HydrophobicContact CG1-CB 3.93Å; V1030-L1133 HydrophobicContact CG1-CD1 4.35Å; V1030-L1133 HydrophobicContact CG2-CB 4.49Å; V1030-L1133 HydrophobicContact CG2-CD1 4.47Å
1031H78.9Confident76.1Confident109 Ų10938.2 Ų38.251%0.50520%0.204SC..Hα-helixtrans-59.2-46.3173.6-174.7-79.7000111T1027 R1028 C1033 V1034 E1035T1027-H1031 VanDerWaalsContact O-CB 3.28Å; T1027-H1031 WeakPolarHBondContact O-CB 3.4Å; T1027-H1031 PolarHBondContact O-N 3.4Å; R1028-H1031 PolarHBondContact O-N 3.35Å; H1031-C1033 PolarHBondContact O-N 2.82Å; H1031-V1034 PolarHBondContact O-N 3.3Å; H1031-E1035 VanDerWaalsContact CE1-CG 3.4Å; H1031-E1035 WeakPolarHBondContact CE1-CG 3.45Å; H1031-E1035 WeakPolarHBondContact O-CG 3.24Å; H1031-E1035 PolarHBondContact O-N 3.39Å
1032C75.2Confident75.1Confident13 Ų1342.5 Ų42.59%0.08823%0.225CC..Hα-helixtrans-62.6-39.8177-65.60000112.6W927 R1028 L1029 V1030 V1034 E1035 A1036W927-C1032 HydrophobicContact CD2-CB 3.64Å; W927-C1032 HydrophobicContact CE3-CB 3.43Å; W927-C1032 VanDerWaalsContact CE3-CB 3.43Å; W927-C1032 HydrophobicContact CG-CB 4.15Å; W927-C1032 HydrophobicContact CH2-CB 4.42Å; W927-C1032 VanDerWaalsContact CH2-O 3.29Å; W927-C1032 WeakPolarHBondContact CH2-O 3.34Å; W927-C1032 HydrophobicContact CZ3-CB 3.84Å; W927-C1032 WeakPolarHBondContact CZ3-O 3.46Å; R1028-C1032 WeakPolarHBondContact O-CB 3.33Å; R1028-C1032 PolarHBondContact O-N 3.11Å; R1028-C1032 PolarHBondContact O-SG 2.66Å; L1029-C1032 PolarHBondContact O-N 3.22Å; V1030-C1032 VanDerWaalsContact C-N 3.34Å; V1030-C1032 PolarHBondContact O-N 3.07Å; C1032-V1034 VanDerWaalsContact C-N 3.33Å; C1032-V1034 PolarHBondContact O-N 3.2Å; C1032-E1035 PolarHBondContact O-N 2.92Å; C1032-A1036 PolarHBondContact O-N 3.41Å
1033C75.1Confident73.8Confident4 Ų444.7 Ų44.73%0.02724%0.243CC..Hα-helixtrans-58.4-44.2172.8-68.30000111.9W927 L1029 V1030 H1031 E1037 L1064 L1133W927-C1033 HydrophobicContact CZ2-CB 4.24Å; W927-C1033 WeakPolarHBondContact CZ2-SG 3.26Å; L1029-C1033 PolarHBondContact O-N 3.32Å; L1029-C1033 PolarHBondContact O-SG 3.13Å; V1030-C1033 WeakPolarHBondContact O-CB 3.31Å; V1030-C1033 PolarHBondContact O-N 2.96Å; H1031-C1033 PolarHBondContact O-N 2.82Å; C1033-E1037 PolarHBondContact O-N 3.34Å; C1033-E1037 VanDerWaalsContact O-N 3.1Å; C1033-L1064 VanDerWaalsContact SG-CD2 3.54Å; C1033-L1133 HydrophobicContact CB-CD1 4.41Å
1034V72.6Confident71.9Confident13 Ų1343 Ų438%0.07925%0.247CC..Hα-helixtrans-65.7-46.4177170.90000111.6V1030 H1031 C1032 E1037 K1038 T1132 L1146V1030-V1034 WeakPolarHBondContact O-CG2 3.19Å; V1030-V1034 PolarHBondContact O-N 3.32Å; H1031-V1034 PolarHBondContact O-N 3.3Å; C1032-V1034 VanDerWaalsContact C-N 3.33Å; C1032-V1034 PolarHBondContact O-N 3.2Å; V1034-E1037 PolarHBondContact O-N 3.09Å; V1034-K1038 HydrophobicContact CG1-CD 4.27Å; V1034-K1038 WeakPolarHBondContact O-CB 3.37Å; V1034-K1038 WeakPolarHBondContact O-CG 3.49Å; V1034-K1038 PolarHBondContact O-N 3.03Å; V1034-T1132 WeakPolarHBondContact CG2-O 3.37Å; V1034-L1146 HydrophobicContact CG1-CD1 4.36Å; V1034-L1146 HydrophobicContact CG2-CD1 4.37Å; V1034-L1146 HydrophobicContact CG2-CD2 3.93Å
1035E71.1Confident69.8Low51 Ų5145.9 Ų45.924%0.23826%0.262CS..Hα-helixtrans-70.3-31.3-178.5-61.3-41.9117.200113.6P930 H1031 C1032 K1038 A1039P930-E1035 HydrophobicContact CG-CB 3.72Å; H1031-E1035 VanDerWaalsContact CE1-CG 3.4Å; H1031-E1035 WeakPolarHBondContact CE1-CG 3.45Å; H1031-E1035 WeakPolarHBondContact O-CG 3.24Å; H1031-E1035 PolarHBondContact O-N 3.39Å; C1032-E1035 PolarHBondContact O-N 2.92Å; E1035-K1038 WeakPolarHBondContact OE1-CE 3.49Å; E1035-K1038 IonicContact OE1-NZ 3.95Å; E1035-K1038 PolarHBondContact OE1-NZ 3.43Å; E1035-K1038 VanDerWaalsContact OE2-CD 3.24Å; E1035-K1038 WeakPolarHBondContact OE2-CD 3.45Å; E1035-K1038 IonicContact OE2-NZ 3.74Å; E1035-K1038 PolarHBondContact OE2-NZ 3.31Å; E1035-A1039 VanDerWaalsContact O-CB 3.32Å; E1035-A1039 WeakPolarHBondContact O-CB 3.41Å; E1035-A1039 PolarHBondContact O-N 2.99Å
1036A66.7Low67.8Low7 Ų753.7 Ų53.76%0.05830%0.304CS..Hα-helixtrans-76.9-34.117300000113.3W927 C1032 A1039 V1040W927-A1036 HydrophobicContact CH2-CB 3.62Å; W927-A1036 HydrophobicContact CZ3-CB 3.56Å; C1032-A1036 PolarHBondContact O-N 3.41Å; A1036-A1039 PolarHBondContact O-N 3.35Å; A1036-V1040 WeakPolarHBondContact O-CB 3.44Å; A1036-V1040 VanDerWaalsContact O-CG2 3.28Å; A1036-V1040 WeakPolarHBondContact O-CG2 3.43Å; A1036-V1040 PolarHBondContact O-N 3.48Å
1037E66.6Low65.7Low45 Ų4558.5 Ų58.521%0.2133%0.329CS..Hα-helixtrans-67.7-37.6170.6-77.2-168.3-168.100111.2C1033 V1034 V1040 I1041 K1061 L1146 Q1147C1033-E1037 PolarHBondContact O-N 3.34Å; C1033-E1037 VanDerWaalsContact O-N 3.1Å; V1034-E1037 PolarHBondContact O-N 3.09Å; E1037-V1040 PolarHBondContact O-N 3.46Å; E1037-I1041 WeakPolarHBondContact O-CB 3.48Å; E1037-I1041 VanDerWaalsContact O-CD1 3.27Å; E1037-I1041 WeakPolarHBondContact O-CD1 2.99Å; E1037-I1041 WeakPolarHBondContact O-CG1 3.15Å; E1037-I1041 PolarHBondContact O-N 2.84Å; E1037-K1061 WeakPolarHBondContact OE1-CD 3.45Å; E1037-K1061 WeakPolarHBondContact OE1-CE 3.36Å; E1037-K1061 IonicContact OE1-NZ 3.58Å; E1037-K1061 PolarHBondContact OE1-NZ 3.34Å; E1037-K1061 IonicContact OE2-NZ 2.81Å; E1037-K1061 PolarHBondContact OE2-NZ 3.05Å; E1037-L1146 HydrophobicContact CB-CD2 4.31Å; E1037-L1146 HydrophobicContact CB-CG 3.97Å; E1037-L1146 WeakPolarHBondContact OE2-CA 3.23Å; E1037-L1146 VanDerWaalsContact OE2-CB 3.3Å; E1037-L1146 WeakPolarHBondContact OE2-CB 3.41Å; E1037-L1146 WeakPolarHBondContact OE2-CD2 3.12Å; E1037-L1146 VanDerWaalsContact OE2-CG 3.22Å; E1037-L1146 WeakPolarHBondContact OE2-CG 3.27Å; E1037-Q1147 PolarHBondContact OE2-N 3.41Å
1038K68.7Low64Low40 Ų4061.8 Ų61.817%0.17434%0.344CS..Hα-helixtrans-57-52166.6-75.8171.5177.5175.20111.9V1034 E1035 V1040 I1041 E1042V1034-K1038 HydrophobicContact CG1-CD 4.27Å; V1034-K1038 WeakPolarHBondContact O-CB 3.37Å; V1034-K1038 WeakPolarHBondContact O-CG 3.49Å; V1034-K1038 PolarHBondContact O-N 3.03Å; E1035-K1038 WeakPolarHBondContact OE1-CE 3.49Å; E1035-K1038 IonicContact OE1-NZ 3.95Å; E1035-K1038 PolarHBondContact OE1-NZ 3.43Å; E1035-K1038 VanDerWaalsContact OE2-CD 3.24Å; E1035-K1038 WeakPolarHBondContact OE2-CD 3.45Å; E1035-K1038 IonicContact OE2-NZ 3.74Å; E1035-K1038 PolarHBondContact OE2-NZ 3.31Å; K1038-V1040 VanDerWaalsContact C-N 3.3Å; K1038-V1040 PolarHBondContact O-N 2.82Å; K1038-I1041 CarbonylContact O-C 3.54Å; K1038-I1041 WeakPolarHBondContact O-CA 3.18Å; K1038-I1041 PolarHBondContact O-N 3Å; K1038-E1042 WeakPolarHBondContact O-CB 3.48Å; K1038-E1042 WeakPolarHBondContact O-CG 3.42Å; K1038-E1042 PolarHBondContact O-N 3.15Å
1039A64.4Low62.4Low40 Ų4061.3 Ų61.333%0.33135%0.345SS..Hα-helixtrans-59.7-38.7-178.900000112.5E1035 A1036 I1041 A1043E1035-A1039 VanDerWaalsContact O-CB 3.32Å; E1035-A1039 WeakPolarHBondContact O-CB 3.41Å; E1035-A1039 PolarHBondContact O-N 2.99Å; A1036-A1039 PolarHBondContact O-N 3.35Å; A1039-I1041 VanDerWaalsContact C-N 3.33Å; A1039-A1043 WeakPolarHBondContact O-CB 3Å; A1039-A1043 PolarHBondContact O-N 3.14Å
1040V62.5Low60.7Low80 Ų8064.2 Ų64.249%0.48536%0.364SS..Hα-helixtrans-66.4-33.3174168.20000112.1A1036 E1037 K1038A1036-V1040 WeakPolarHBondContact O-CB 3.44Å; A1036-V1040 VanDerWaalsContact O-CG2 3.28Å; A1036-V1040 WeakPolarHBondContact O-CG2 3.43Å; A1036-V1040 PolarHBondContact O-N 3.48Å; E1037-V1040 PolarHBondContact O-N 3.46Å; K1038-V1040 VanDerWaalsContact C-N 3.3Å; K1038-V1040 PolarHBondContact O-N 2.82Å
1041I64.5Low59.4Low72 Ų7271 Ų7137%0.36940%0.399SS..Hα-helixtrans-77.1-43.3176.1-68161000111.5E1037 K1038 A1039 G1044E1037-I1041 WeakPolarHBondContact O-CB 3.48Å; E1037-I1041 VanDerWaalsContact O-CD1 3.27Å; E1037-I1041 WeakPolarHBondContact O-CD1 2.99Å; E1037-I1041 WeakPolarHBondContact O-CG1 3.15Å; E1037-I1041 PolarHBondContact O-N 2.84Å; K1038-I1041 CarbonylContact O-C 3.54Å; K1038-I1041 WeakPolarHBondContact O-CA 3.18Å; K1038-I1041 PolarHBondContact O-N 3Å; A1039-I1041 VanDerWaalsContact C-N 3.33Å; I1041-G1044 PolarHBondContact O-N 3.45Å
1042E62.6Low58.2Low146 Ų14669.7 Ų69.768%0.68240%0.395SS*.Hα-helixtrans-71.1-31.2-179.2-72.4178.8-17500112.6K1038 G1044K1038-E1042 WeakPolarHBondContact O-CB 3.48Å; K1038-E1042 WeakPolarHBondContact O-CG 3.42Å; K1038-E1042 PolarHBondContact O-N 3.15Å; E1042-G1044 PolarHBondContact O-N 3.02Å; E1042-G1044 VanDerWaalsContact O-N 3.14Å
1043A57.6Low57.3Low48 Ų4870.7 Ų70.740%0.39740%0.399SS..THydrogen-bonded Turntrans-64.4-11.5173.800000114A1039 L1047A1039-A1043 WeakPolarHBondContact O-CB 3Å; A1039-A1043 PolarHBondContact O-N 3.14Å; A1043-L1047 HydrophobicContact CB-CD1 4.44Å; A1043-L1047 HydrophobicContact CB-CD2 4.38Å
1044G43.7Very low56.7Low45 Ų4572.6 Ų72.646%0.46441%0.411SS..  trans43.483.1152.500000117.7I1041 E1042I1041-G1044 PolarHBondContact O-N 3.45Å; E1042-G1044 PolarHBondContact O-N 3.02Å; E1042-G1044 VanDerWaalsContact O-N 3.14Å
1045T39.1Very low56.4Low125 Ų12576.2 Ų76.277%0.76743%0.427SS*.SBendtrans86.6131.9175.672.10000117.2L1047T1045-L1047 PolarHBondContact O-N 2.91Å
1046D42.9Very low56Low164 Ų16474.9 Ų74.988%0.87742%0.421SS*.  trans45.836.7159.1-59.21.3000118.6
1047L41.5Very low56.1Low103 Ų10376.4 Ų76.454%0.53943%0.425SS..  trans-77.7119159.9-90.776.4000110.4A1043 T1045 E1049A1043-L1047 HydrophobicContact CB-CD1 4.44Å; A1043-L1047 HydrophobicContact CB-CD2 4.38Å; T1045-L1047 PolarHBondContact O-N 2.91Å; L1047-E1049 PolarHBondContact O-N 3.35Å
1048D47.6Very low56.3Low133 Ų13379.9 Ų79.971%0.71144%0.441SS*.  trans-69.259169.3-78.5-49000111.8P957P957-D1048 HydrophobicContact CG-CB 3.81Å; P957-D1048 WeakPolarHBondContact CG-O 3.31Å
1049E47.4Very low56.6Low48 Ų4881.9 Ų81.922%0.22445%0.451CS..  trans-69.2123.6170.6-160.2175.7-138.400108.9L1047 L1051 I1053 T1054 R1057L1047-E1049 PolarHBondContact O-N 3.35Å; E1049-L1051 PolarHBondContact O-N 3.33Å; E1049-I1053 HydrophobicContact CG-CB 4.33Å; E1049-I1053 HydrophobicContact CG-CG2 4.24Å; E1049-T1054 WeakPolarHBondContact OE2-CG2 3.18Å; E1049-R1057 IonicContact OE1-CZ 2.97Å; E1049-R1057 VanDerWaalsContact OE1-CZ 3.27Å; E1049-R1057 IonicContact OE1-NH1 2.68Å; E1049-R1057 PolarHBondContact OE1-NH1 3.06Å; E1049-R1057 IonicContact OE1-NH2 3.25Å; E1049-R1057 PolarHBondContact OE1-NH2 3.36Å; E1049-R1057 IonicContact OE2-CZ 2.67Å; E1049-R1057 IonicContact OE2-NH1 2.98Å; E1049-R1057 PolarHBondContact OE2-NH1 2.69Å; E1049-R1057 IonicContact OE2-NH2 2.69Å
1050P46.5Very low57.1Low63 Ų6380.3 Ų80.341%0.40944%0.438SS..  trans-65.2132.8-169.624.4-33.9000110.9L1052 I1053P1050-L1052 PolarHBondContact O-N 3.03Å; P1050-I1053 HydrophobicContact CG-CD1 3.74Å; P1050-I1053 HydrophobicContact CG-CG1 4.07Å; P1050-I1053 PolarHBondContact O-N 3.47Å
1051L52.3Low57.8Low142 Ų14277 Ų7774%0.74342%0.417SS*.Hα-helixtrans-43-33.1-171.9-89.3161.2000115.7E1049 T1054 Q1055E1049-L1051 PolarHBondContact O-N 3.33Å; L1051-T1054 WeakPolarHBondContact CA-OG1 3.42Å; L1051-T1054 PolarHBondContact O-OG1 3.42Å; L1051-Q1055 WeakPolarHBondContact O-CB 3.28Å; L1051-Q1055 PolarHBondContact O-N 2.95Å
1052L54.7Low58.5Low82 Ų8277.6 Ų77.643%0.42942%0.421SS..Hα-helixtrans-67.2-38.1177.6-77.877.7000112.7N988 P1050 Q1055 H1056N988-L1052 WeakPolarHBondContact OD1-CD2 3.44Å; P1050-L1052 PolarHBondContact O-N 3.03Å; L1052-Q1055 PolarHBondContact O-N 3.38Å; L1052-H1056 WeakPolarHBondContact O-CB 3.47Å; L1052-H1056 PolarHBondContact O-CD2 3.32Å; L1052-H1056 VanDerWaalsContact O-CG 3.25Å; L1052-H1056 PolarHBondContact O-N 3.12Å
1053I54.9Low59.4Low34 Ų3471.1 Ų71.117%0.17439%0.392CS..Hα-helixtrans-66-45.9179.1-65.6-179.6000110L928 E1049 P1050 Q1055 H1056 R1057L928-I1053 HydrophobicContact CD1-CG2 4.14Å; E1049-I1053 HydrophobicContact CG-CB 4.33Å; E1049-I1053 HydrophobicContact CG-CG2 4.24Å; P1050-I1053 HydrophobicContact CG-CD1 3.74Å; P1050-I1053 HydrophobicContact CG-CG1 4.07Å; P1050-I1053 PolarHBondContact O-N 3.47Å; I1053-Q1055 PolarHBondContact O-N 3.45Å; I1053-H1056 PolarHBondContact O-N 3.33Å; I1053-R1057 WeakPolarHBondContact O-CG 3.43Å; I1053-R1057 PolarHBondContact O-N 2.97Å
1054T62.2Low60.6Low44 Ų4469 Ų6927%0.2737%0.374SS..Hα-helixtrans-63-40.2174.445.50000112.1E1049 L1051 Q1058E1049-T1054 WeakPolarHBondContact OE2-CG2 3.18Å; L1051-T1054 WeakPolarHBondContact CA-OG1 3.42Å; L1051-T1054 PolarHBondContact O-OG1 3.42Å; T1054-Q1058 WeakPolarHBondContact O-CB 3.22Å; T1054-Q1058 VanDerWaalsContact O-CG 3.28Å; T1054-Q1058 WeakPolarHBondContact O-CG 3.41Å; T1054-Q1058 PolarHBondContact O-N 3.32Å
1055Q66.6Low62.4Low89 Ų8967 Ų6742%0.41635%0.353SS..Hα-helixtrans-66.3-42.5176.9-176177.97.600112.2L1051 L1052 I1053 Q1058 H1059L1051-Q1055 WeakPolarHBondContact O-CB 3.28Å; L1051-Q1055 PolarHBondContact O-N 2.95Å; L1052-Q1055 PolarHBondContact O-N 3.38Å; I1053-Q1055 PolarHBondContact O-N 3.45Å; Q1055-Q1058 PolarHBondContact O-N 3.02Å; Q1055-H1059 PolarHBondContact O-N 2.99Å
1056H63.9Low64.4Low22 Ų2266.2 Ų66.210%0.10234%0.34CS..Hα-helixtrans-67.1-40177.9-74.2-53.8000112.2N988 S991 L1052 I1053 Q1058 H1059 A1060N988-H1056 PolarHBondContact OD1-NE2 3.47Å; N988-H1056 VanDerWaalsContact OD1-NE2 3.07Å; S991-H1056 PolarHBondContact OG-CD2 3.3Å; S991-H1056 PolarHBondContact OG-CE1 3.4Å; S991-H1056 PolarHBondContact OG-ND1 3.39Å; S991-H1056 PolarHBondContact OG-NE2 2.9Å; L1052-H1056 WeakPolarHBondContact O-CB 3.47Å; L1052-H1056 PolarHBondContact O-CD2 3.32Å; L1052-H1056 VanDerWaalsContact O-CG 3.25Å; L1052-H1056 PolarHBondContact O-N 3.12Å; I1053-H1056 PolarHBondContact O-N 3.33Å; H1056-Q1058 VanDerWaalsContact C-N 3.34Å; H1056-H1059 PolarHBondContact O-N 3.45Å; H1056-A1060 WeakPolarHBondContact O-CB 3.21Å; H1056-A1060 PolarHBondContact O-N 2.93Å
1057R67.8Low66.4Low39 Ų3958.4 Ų58.415%0.14730%0.298CS..Hα-helixtrans-60-43.7170.7-74-170.3-166.312710.7111.4L928 E1049 I1053 A1060 K1061L928-R1057 HydrophobicContact CD1-CG 3.68Å; E1049-R1057 IonicContact OE1-CZ 2.97Å; E1049-R1057 VanDerWaalsContact OE1-CZ 3.27Å; E1049-R1057 IonicContact OE1-NH1 2.68Å; E1049-R1057 PolarHBondContact OE1-NH1 3.06Å; E1049-R1057 IonicContact OE1-NH2 3.25Å; E1049-R1057 PolarHBondContact OE1-NH2 3.36Å; E1049-R1057 IonicContact OE2-CZ 2.67Å; E1049-R1057 IonicContact OE2-NH1 2.98Å; E1049-R1057 PolarHBondContact OE2-NH1 2.69Å; E1049-R1057 IonicContact OE2-NH2 2.69Å; I1053-R1057 WeakPolarHBondContact O-CG 3.43Å; I1053-R1057 PolarHBondContact O-N 2.97Å; R1057-A1060 PolarHBondContact O-N 3.22Å; R1057-K1061 WeakPolarHBondContact O-CB 3.5Å; R1057-K1061 PolarHBondContact O-N 3.28Å
1058Q71.9Confident68.3Low119 Ų11953.5 Ų53.556%0.55627%0.273SS*.Hα-helixtrans-64.2-42.4177.6-75.5172.9-2.400112.4T1054 Q1055 H1056 K1061 L1062T1054-Q1058 WeakPolarHBondContact O-CB 3.22Å; T1054-Q1058 VanDerWaalsContact O-CG 3.28Å; T1054-Q1058 WeakPolarHBondContact O-CG 3.41Å; T1054-Q1058 PolarHBondContact O-N 3.32Å; Q1055-Q1058 PolarHBondContact O-N 3.02Å; H1056-Q1058 VanDerWaalsContact C-N 3.34Å; Q1058-K1061 PolarHBondContact O-N 2.85Å; Q1058-L1062 VanDerWaalsContact O-CG 3.3Å; Q1058-L1062 WeakPolarHBondContact O-CG 3.35Å; Q1058-L1062 PolarHBondContact O-N 3.18Å
1059H74.6Confident69.9Low82 Ų8248.8 Ų48.838%0.3825%0.247SC..Hα-helixtrans-63.4-45.2174.6-75.6-39.9000112.2L995 Q1055 H1056 K1061 L1062 A1063L995-H1059 HydrophobicContact CD1-CB 4.27Å; L995-H1059 HydrophobicContact CD2-CB 4.1Å; Q1055-H1059 PolarHBondContact O-N 2.99Å; H1056-H1059 PolarHBondContact O-N 3.45Å; H1059-K1061 VanDerWaalsContact C-N 3.29Å; H1059-K1061 PolarHBondContact O-N 2.89Å; H1059-L1062 PolarHBondContact O-N 3.49Å; H1059-A1063 PolarHBondContact O-N 3.4Å
1060A73.9Confident71.5Confident6 Ų646.7 Ų46.75%0.0524%0.238CC..Hα-helixtrans-62-36.5176.600000112.3L994 H1056 R1057 L1064L994-A1060 HydrophobicContact CD2-CB 3.85Å; H1056-A1060 WeakPolarHBondContact O-CB 3.21Å; H1056-A1060 PolarHBondContact O-N 2.93Å; R1057-A1060 PolarHBondContact O-N 3.22Å; A1060-L1064 WeakPolarHBondContact O-CB 3.34Å; A1060-L1064 PolarHBondContact O-N 3.14Å; A1060-L1064 VanDerWaalsContact O-N 3.09Å
1061K77.3Confident73Confident11 Ų1144 Ų445%0.04822%0.22CC..Hα-helixtrans-65.6-45.5171.9-178.8177.4-175.2179.30112.3E1037 R1057 Q1058 H1059 A1063 L1064 E1065 Q1147E1037-K1061 WeakPolarHBondContact OE1-CD 3.45Å; E1037-K1061 WeakPolarHBondContact OE1-CE 3.36Å; E1037-K1061 IonicContact OE1-NZ 3.58Å; E1037-K1061 PolarHBondContact OE1-NZ 3.34Å; E1037-K1061 IonicContact OE2-NZ 2.81Å; E1037-K1061 PolarHBondContact OE2-NZ 3.05Å; R1057-K1061 WeakPolarHBondContact O-CB 3.5Å; R1057-K1061 PolarHBondContact O-N 3.28Å; Q1058-K1061 PolarHBondContact O-N 2.85Å; H1059-K1061 VanDerWaalsContact C-N 3.29Å; H1059-K1061 PolarHBondContact O-N 2.89Å; K1061-A1063 PolarHBondContact O-N 2.59Å; K1061-L1064 PolarHBondContact O-N 3.34Å; K1061-E1065 WeakPolarHBondContact CE-OE1 3.49Å; K1061-E1065 HydrophobicContact CG-CG 4.48Å; K1061-E1065 PolarHBondContact O-N 2.97Å; K1061-Q1147 VanDerWaalsContact NZ-C 3.26Å; K1061-Q1147 PolarHBondContact NZ-O 3.28Å
1062L79.9Confident74.1Confident85 Ų8537.4 Ų37.445%0.44519%0.185SC..Hα-helixtrans-62.4-42.1179.2-73.2168.6000111.6Q1058 H1059 L1064 E1065 E1066Q1058-L1062 VanDerWaalsContact O-CG 3.3Å; Q1058-L1062 WeakPolarHBondContact O-CG 3.35Å; Q1058-L1062 PolarHBondContact O-N 3.18Å; H1059-L1062 PolarHBondContact O-N 3.49Å; L1062-L1064 VanDerWaalsContact C-N 3.34Å; L1062-L1064 PolarHBondContact O-N 3.43Å; L1062-E1065 PolarHBondContact O-N 3.27Å; L1062-E1066 WeakPolarHBondContact O-CB 3.46Å; L1062-E1066 PolarHBondContact O-N 3.48Å
1063A80.4Confident75.2Confident10 Ų1037.9 Ų37.98%0.08318%0.184CC..Hα-helixtrans-62.1-40.1173.500000112L995 L998 H1059 K1061 E1066 V1067L995-A1063 HydrophobicContact CD2-CB 4.09Å; L998-A1063 HydrophobicContact CB-CB 4.01Å; L998-A1063 HydrophobicContact CD1-CB 3.98Å; H1059-A1063 PolarHBondContact O-N 3.4Å; K1061-A1063 PolarHBondContact O-N 2.59Å; A1063-E1066 PolarHBondContact O-N 2.83Å; A1063-V1067 WeakPolarHBondContact O-CG2 3.43Å; A1063-V1067 PolarHBondContact O-N 3.21Å
1064L83Confident76.1Confident3 Ų337.8 Ų37.82%0.01618%0.183CC..Hα-helixtrans-67.2-41.3175.5-174.163000112.5L998 L1026 L1029 V1030 C1033 A1060 K1061 L1062 E1066 V1067 F1068 L1133L998-L1064 HydrophobicContact CD2-CD1 4.47Å; L1026-L1064 HydrophobicContact CD2-CD1 3.9Å; L1029-L1064 HydrophobicContact CB-CD2 4.32Å; V1030-L1064 HydrophobicContact CG2-CD2 3.87Å; V1030-L1064 HydrophobicContact CG2-CG 4.49Å; C1033-L1064 VanDerWaalsContact SG-CD2 3.54Å; A1060-L1064 WeakPolarHBondContact O-CB 3.34Å; A1060-L1064 PolarHBondContact O-N 3.14Å; A1060-L1064 VanDerWaalsContact O-N 3.09Å; K1061-L1064 PolarHBondContact O-N 3.34Å; L1062-L1064 VanDerWaalsContact C-N 3.34Å; L1062-L1064 PolarHBondContact O-N 3.43Å; L1064-E1066 VanDerWaalsContact C-N 3.3Å; L1064-E1066 PolarHBondContact O-N 3.02Å; L1064-V1067 PolarHBondContact O-N 2.96Å; L1064-F1068 HydrophobicContact CD1-CE2 4Å; L1064-F1068 HydrophobicContact CG-CD2 4.49Å; L1064-F1068 HydrophobicContact CG-CE2 4.05Å; L1064-F1068 WeakPolarHBondContact O-CD2 3.29Å; L1064-F1068 PolarHBondContact O-N 2.85Å; L1064-L1133 HydrophobicContact CD2-CD1 4.44Å
1065E81.6Confident76.5Confident4 Ų436.1 Ų36.12%0.01917%0.172CC..Hα-helixtrans-60.5-38.7171.6-74.3-176.3-170.500111.5K1061 L1062 F1068 I1069 L1133 S1149 F1152K1061-E1065 WeakPolarHBondContact CE-OE1 3.49Å; K1061-E1065 HydrophobicContact CG-CG 4.48Å; K1061-E1065 PolarHBondContact O-N 2.97Å; L1062-E1065 PolarHBondContact O-N 3.27Å; E1065-F1068 PolarHBondContact O-N 2.69Å; E1065-I1069 WeakPolarHBondContact O-CG1 3.45Å; E1065-I1069 PolarHBondContact O-N 3.34Å; E1065-I1069 VanDerWaalsContact O-N 3.09Å; E1065-L1133 HydrophobicContact CG-CD2 4.09Å; E1065-S1149 PolarHBondContact OE1-N 2.96Å; E1065-S1149 VanDerWaalsContact OE1-N 3.14Å; E1065-S1149 WeakPolarHBondContact OE2-CB 3.49Å; E1065-S1149 PolarHBondContact OE2-N 3.43Å; E1065-S1149 PolarHBondContact OE2-OG 2.93Å; E1065-F1152 HydrophobicContact CB-CB 4.25Å; E1065-F1152 HydrophobicContact CB-CD2 3.95Å; E1065-F1152 HydrophobicContact CB-CG 4.28Å; E1065-F1152 HydrophobicContact CG-CB 4.23Å; E1065-F1152 HydrophobicContact CG-CD2 4.12Å; E1065-F1152 HydrophobicContact CG-CG 4.11Å; E1065-F1152 VanDerWaalsContact OE2-CB 3.29Å; E1065-F1152 WeakPolarHBondContact OE2-CB 3.5Å
1066E82Confident76.5Confident108 Ų10839.4 Ų39.451%0.50518%0.184SC..Hα-helixtrans-69.1-37.6176.9-173.7159.2-147.900112.9V1002 L1062 A1063 L1064 F1068 I1069 C1070V1002-E1066 HydrophobicContact CG1-CG 4.32Å; V1002-E1066 HydrophobicContact CG2-CG 4.25Å; L1062-E1066 WeakPolarHBondContact O-CB 3.46Å; L1062-E1066 PolarHBondContact O-N 3.48Å; A1063-E1066 PolarHBondContact O-N 2.83Å; L1064-E1066 VanDerWaalsContact C-N 3.3Å; L1064-E1066 PolarHBondContact O-N 3.02Å; E1066-F1068 VanDerWaalsContact C-N 3.33Å; E1066-F1068 PolarHBondContact O-N 2.93Å; E1066-I1069 PolarHBondContact O-N 3.43Å; E1066-C1070 WeakPolarHBondContact O-CB 3.42Å; E1066-C1070 PolarHBondContact O-N 3.35Å
1067V83.5Confident76.3Confident0 Ų039.4 Ų39.40%019%0.186CC..Hα-helixtrans-54.2-48.8170.2167.20000110.8L998 V1001 V1002 L1005 L1026 A1063 L1064 C1070 I1071L998-V1067 HydrophobicContact CD2-CG2 4.37Å; V1001-V1067 HydrophobicContact CB-CG2 4.23Å; V1001-V1067 HydrophobicContact CG1-CG1 3.84Å; V1001-V1067 HydrophobicContact CG1-CG2 3.97Å; V1002-V1067 HydrophobicContact CG2-CB 4.47Å; V1002-V1067 HydrophobicContact CG2-CG2 3.58Å; L1005-V1067 HydrophobicContact CD1-CG1 4.45Å; L1026-V1067 HydrophobicContact CD2-CG1 4.3Å; A1063-V1067 WeakPolarHBondContact O-CG2 3.43Å; A1063-V1067 PolarHBondContact O-N 3.21Å; L1064-V1067 PolarHBondContact O-N 2.96Å; V1067-C1070 PolarHBondContact O-N 2.82Å; V1067-I1071 HydrophobicContact CG1-CD1 3.8Å; V1067-I1071 HydrophobicContact CG1-CG1 4.46Å; V1067-I1071 VanDerWaalsContact O-CG1 3.31Å; V1067-I1071 WeakPolarHBondContact O-CG1 3.45Å; V1067-I1071 PolarHBondContact O-N 2.84Å
1068F83Confident75.7Confident0 Ų041.6 Ų41.60%020%0.204CC..Hα-helixtrans-63.1-43.2177.5-75.4-70000112.6V1030 L1064 E1065 E1066 C1070 I1071 W1072 L1129 L1133 F1152V1030-F1068 HydrophobicContact CG2-CE2 3.8Å; V1030-F1068 HydrophobicContact CG2-CZ 3.91Å; L1064-F1068 HydrophobicContact CD1-CE2 4Å; L1064-F1068 HydrophobicContact CG-CD2 4.49Å; L1064-F1068 HydrophobicContact CG-CE2 4.05Å; L1064-F1068 WeakPolarHBondContact O-CD2 3.29Å; L1064-F1068 PolarHBondContact O-N 2.85Å; E1065-F1068 PolarHBondContact O-N 2.69Å; E1066-F1068 VanDerWaalsContact C-N 3.33Å; E1066-F1068 PolarHBondContact O-N 2.93Å; F1068-C1070 VanDerWaalsContact C-N 3.28Å; F1068-C1070 PolarHBondContact O-N 2.88Å; F1068-I1071 HydrophobicContact CD1-CD1 4.49Å; F1068-I1071 PolarHBondContact O-N 2.81Å; F1068-W1072 PolarHBondContact O-N 3Å; F1068-W1072 VanDerWaalsContact O-N 3.11Å; F1068-L1129 HydrophobicContact CE1-CB 4.44Å; F1068-L1129 HydrophobicContact CE1-CD2 3.95Å; F1068-L1129 HydrophobicContact CE1-CG 4.07Å; F1068-L1129 HydrophobicContact CZ-CD2 3.68Å; F1068-L1129 HydrophobicContact CZ-CG 3.71Å; F1068-L1133 HydrophobicContact CD2-CD2 3.79Å; F1068-L1133 HydrophobicContact CE2-CD2 3.95Å; F1068-F1152 HydrophobicContact CB-CE2 3.97Å
1069I80.4Confident74.8Confident33 Ų3336.8 Ų36.817%0.16918%0.183CC..Hα-helixtrans-59.4-41.1176.2-67.9164.4000110.7E1065 E1066 K1073 T1151 F1152E1065-I1069 WeakPolarHBondContact O-CG1 3.45Å; E1065-I1069 PolarHBondContact O-N 3.34Å; E1065-I1069 VanDerWaalsContact O-N 3.09Å; E1066-I1069 PolarHBondContact O-N 3.43Å; I1069-K1073 WeakPolarHBondContact O-CB 3.34Å; I1069-K1073 PolarHBondContact O-N 3.14Å; I1069-T1151 HydrophobicContact CD1-CG2 4.46Å; I1069-F1152 HydrophobicContact CD1-CB 4.38Å; I1069-F1152 HydrophobicContact CD1-CD2 4.23Å; I1069-F1152 HydrophobicContact CG1-CD2 4.07Å
1070C80.7Confident73.5Confident5 Ų536.6 Ų36.63%0.03419%0.189CC..Hα-helixtrans-68.1-42.9177.6-81.40000113.3L1005 N1006 E1066 V1067 F1068 W1072 K1073 Q1074L1005-C1070 HydrophobicContact CB-CB 4.19Å; L1005-C1070 HydrophobicContact CD1-CB 3.97Å; N1006-C1070 PolarHBondContact ND2-SG 3.36Å; E1066-C1070 WeakPolarHBondContact O-CB 3.42Å; E1066-C1070 PolarHBondContact O-N 3.35Å; V1067-C1070 PolarHBondContact O-N 2.82Å; F1068-C1070 VanDerWaalsContact C-N 3.28Å; F1068-C1070 PolarHBondContact O-N 2.88Å; C1070-W1072 PolarHBondContact O-N 2.93Å; C1070-K1073 PolarHBondContact O-N 3.41Å; C1070-Q1074 WeakPolarHBondContact O-CG 3.25Å; C1070-Q1074 PolarHBondContact O-N 2.76Å
1071I78.7Confident71.9Confident6 Ų644.5 Ų44.53%0.03123%0.23CC..Hα-helixtrans-55-55.1174.3-68.9163.6000109.9L1005 V1015 F1019 V1067 F1068 K1073 Q1074 M1075 I1126L1005-I1071 HydrophobicContact CD1-CG1 3.66Å; L1005-I1071 HydrophobicContact CD2-CG1 4.06Å; V1015-I1071 HydrophobicContact CG1-CG2 4.2Å; F1019-I1071 HydrophobicContact CD2-CD1 4.1Å; V1067-I1071 HydrophobicContact CG1-CD1 3.8Å; V1067-I1071 HydrophobicContact CG1-CG1 4.46Å; V1067-I1071 VanDerWaalsContact O-CG1 3.31Å; V1067-I1071 WeakPolarHBondContact O-CG1 3.45Å; V1067-I1071 PolarHBondContact O-N 2.84Å; F1068-I1071 HydrophobicContact CD1-CD1 4.49Å; F1068-I1071 PolarHBondContact O-N 2.81Å; I1071-K1073 PolarHBondContact O-N 2.86Å; I1071-Q1074 PolarHBondContact O-N 2.63Å; I1071-M1075 HydrophobicContact CG2-CE 3.89Å; I1071-M1075 HydrophobicContact CG2-SD 4.1Å; I1071-M1075 WeakPolarHBondContact O-CG 3.46Å; I1071-M1075 PolarHBondContact O-N 3.2Å; I1071-I1126 HydrophobicContact CG2-CD1 4.13Å; I1071-I1126 HydrophobicContact CG2-CG2 4.26Å
1072W76.3Confident70.1Confident4 Ų447.4 Ų47.42%0.01525%0.246CC..Hα-helixtrans-64-40.8-177.8-72.3118.7000113.1F1068 C1070 Q1074 M1075 V1077 Y1123 I1126 L1127 S1130 W1155 F1159F1068-W1072 PolarHBondContact O-N 3Å; F1068-W1072 VanDerWaalsContact O-N 3.11Å; C1070-W1072 PolarHBondContact O-N 2.93Å; W1072-Q1074 PolarHBondContact O-N 3.27Å; W1072-M1075 HydrophobicContact CE3-SD 4.34Å; W1072-M1075 PolarHBondContact O-N 3.08Å; W1072-V1077 HydrophobicContact CE3-CB 4.12Å; W1072-V1077 HydrophobicContact CE3-CG1 4.12Å; W1072-V1077 HydrophobicContact CE3-CG2 4.13Å; W1072-V1077 WeakPolarHBondContact O-CB 3.16Å; W1072-V1077 PolarHBondContact O-N 3.21Å; W1072-V1077 VanDerWaalsContact O-N 3.08Å; W1072-Y1123 HydrophobicContact CZ3-CG 4.46Å; W1072-I1126 HydrophobicContact CD2-CG2 4.41Å; W1072-I1126 HydrophobicContact CH2-CB 4.17Å; W1072-I1126 HydrophobicContact CH2-CG2 4.09Å; W1072-I1126 HydrophobicContact CZ2-CB 3.91Å; W1072-I1126 HydrophobicContact CZ2-CG2 3.46Å; W1072-I1126 VanDerWaalsContact CZ2-CG2 3.46Å; W1072-L1127 HydrophobicContact CH2-CD2 3.7Å; W1072-L1127 HydrophobicContact CH2-CG 3.86Å; W1072-L1127 HydrophobicContact CZ2-CD2 3.78Å; W1072-L1127 HydrophobicContact CZ2-CG 4.13Å; W1072-S1130 PolarHBondContact NE1-OG 3.29Å; W1072-W1155 HydrophobicContact CB-CH2 3.31Å; W1072-W1155 HydrophobicContact CB-CZ2 3.33Å; W1072-W1155 HydrophobicContact CB-CZ3 4.27Å; W1072-W1155 AromaticContact CD1-CH2 3.44Å; W1072-W1155 VanDerWaalsContact CD1-CH2 3.44Å; W1072-W1155 AromaticContact CD1-CZ3 3.64Å; W1072-W1155 AromaticContact CD2-CH2 3.95Å; W1072-W1155 HydrophobicContact CD2-CH2 3.95Å; W1072-W1155 AromaticContact CG-CH2 3.28Å; W1072-W1155 HydrophobicContact CG-CH2 3.28Å; W1072-W1155 AromaticContact CG-CZ2 3.89Å; W1072-W1155 HydrophobicContact CG-CZ2 3.89Å; W1072-W1155 AromaticContact CG-CZ3 3.98Å; W1072-W1155 HydrophobicContact CG-CZ3 3.98Å; W1072-F1159 HydrophobicContact CE3-CZ 4.32Å; W1072-F1159 HydrophobicContact CH2-CE1 4.29Å; W1072-F1159 HydrophobicContact CH2-CZ 4.01Å; W1072-F1159 HydrophobicContact CZ2-CE1 4.24Å; W1072-F1159 HydrophobicContact CZ2-CZ 4.4Å; W1072-F1159 AromaticContact CZ3-CZ 3.96Å; W1072-F1159 HydrophobicContact CZ3-CZ 3.96Å
1073K77.3Confident68.2Low91 Ų9148 Ų4840%0.39626%0.256SS..Hα-helixtrans-57.7-45.7175.5174.9-171.2168.1-159.30111.9N1006 I1069 C1070 I1071 K1076N1006-K1073 PolarHBondContact OD1-NZ 3.07Å; I1069-K1073 WeakPolarHBondContact O-CB 3.34Å; I1069-K1073 PolarHBondContact O-N 3.14Å; C1070-K1073 PolarHBondContact O-N 3.41Å; I1071-K1073 PolarHBondContact O-N 2.86Å; K1073-K1076 WeakPolarHBondContact O-CA 3.42Å; K1073-K1076 PolarHBondContact O-N 3.03Å
1074Q74Confident66.1Low33 Ų3352.2 Ų52.215%0.15428%0.277CS..Hα-helixtrans-76.4-24.4-178.9-61.4-667600113.1L1005 N1006 L1009 V1015 C1070 I1071 W1072 K1076L1005-Q1074 WeakPolarHBondContact O-CG 3.35Å; L1005-Q1074 PolarHBondContact O-NE2 3.14Å; N1006-Q1074 PolarHBondContact O-NE2 2.87Å; L1009-Q1074 PolarHBondContact O-NE2 2.82Å; V1015-Q1074 HydrophobicContact CG2-CB 3.96Å; C1070-Q1074 WeakPolarHBondContact O-CG 3.25Å; C1070-Q1074 PolarHBondContact O-N 2.76Å; I1071-Q1074 PolarHBondContact O-N 2.63Å; W1072-Q1074 PolarHBondContact O-N 3.27Å; Q1074-K1076 PolarHBondContact O-N 2.92Å
1075M69.2Low64Low8 Ų859.4 Ų59.44%0.03932%0.315CS..THydrogen-bonded Turntrans-67.14.6163.6-67.9-179.3171.500113.6V1015 L1016 I1071 W1072 V1077 Y1123 I1126V1015-M1075 HydrophobicContact CG1-CE 3.79Å; V1015-M1075 HydrophobicContact CG1-CG 4.06Å; L1016-M1075 HydrophobicContact CD2-CE 3.62Å; L1016-M1075 HydrophobicContact CG-CE 3.76Å; I1071-M1075 HydrophobicContact CG2-CE 3.89Å; I1071-M1075 HydrophobicContact CG2-SD 4.1Å; I1071-M1075 WeakPolarHBondContact O-CG 3.46Å; I1071-M1075 PolarHBondContact O-N 3.2Å; W1072-M1075 HydrophobicContact CE3-SD 4.34Å; W1072-M1075 PolarHBondContact O-N 3.08Å; M1075-V1077 HydrophobicContact CB-CG2 4.02Å; M1075-V1077 PolarHBondContact O-N 3.04Å; M1075-Y1123 HydrophobicContact CE-CD1 4.21Å; M1075-Y1123 HydrophobicContact CE-CE1 4.06Å; M1075-Y1123 HydrophobicContact CG-CE1 4.38Å; M1075-Y1123 HydrophobicContact SD-CD1 3.68Å; M1075-Y1123 HydrophobicContact SD-CE1 3.5Å; M1075-Y1123 VanDerWaalsContact SD-CE1 3.5Å; M1075-I1126 HydrophobicContact CE-CD1 3.27Å; M1075-I1126 HydrophobicContact SD-CD1 3.86Å
1076K66.5Low62.1Low158 Ų15863.2 Ų63.269%0.68734%0.336SS*.THydrogen-bonded Turntrans62.316.5-176.5-58.3165.5-172.6162.10113K1073 Q1074 V1078K1073-K1076 WeakPolarHBondContact O-CA 3.42Å; K1073-K1076 PolarHBondContact O-N 3.03Å; Q1074-K1076 PolarHBondContact O-N 2.92Å; K1076-V1078 PolarHBondContact O-N 3.43Å
1077V60.6Low60Low23 Ų2360.9 Ų60.914%0.13933%0.33CS..  trans-84.670.5174-175.20000108W1072 M1075 W1155 F1159W1072-V1077 HydrophobicContact CE3-CB 4.12Å; W1072-V1077 HydrophobicContact CE3-CG1 4.12Å; W1072-V1077 HydrophobicContact CE3-CG2 4.13Å; W1072-V1077 WeakPolarHBondContact O-CB 3.16Å; W1072-V1077 PolarHBondContact O-N 3.21Å; W1072-V1077 VanDerWaalsContact O-N 3.08Å; M1075-V1077 HydrophobicContact CB-CG2 4.02Å; M1075-V1077 PolarHBondContact O-N 3.04Å; V1077-W1155 WeakPolarHBondContact O-CZ2 3.47Å; V1077-F1159 HydrophobicContact CG1-CD2 3.29Å; V1077-F1159 HydrophobicContact CG1-CE2 3.23Å; V1077-F1159 HydrophobicContact CG1-CG 4.3Å; V1077-F1159 HydrophobicContact CG1-CZ 4.18Å
1078V53.9Low57.8Low85 Ų8565.9 Ų65.952%0.51536%0.356SS..PPolyproline II helixtrans-102.3118.8176.5-178.50000108.6K1076K1076-V1078 PolarHBondContact O-N 3.43Å
1079P53.1Low56.1Low18 Ų1868.6 Ų68.612%0.11738%0.375CS..PPolyproline II helixtrans-66.3139.8176.228.1-34.2000110.7G1158P1079-G1158 WeakPolarHBondContact CB-O 3.32Å
1080P47.2Very low54.1Low77 Ų7770.3 Ų70.350%0.538%0.383SS..PPolyproline II helixtrans-62.5145.3-179.726.3-33.9000111I1082P1080-I1082 PolarHBondContact O-N 3.46Å
1081N41.5Very low52.2Low172 Ų17272.4 Ų72.492%0.9239%0.394SS*.  trans-58.787.8-173.9-75.7-31.2000113.7S1083N1081-S1083 PolarHBondContact O-N 2.78Å
1082I38.7Very low50.4Low73 Ų7378.4 Ų78.437%0.37442%0.421SS..  trans-78.6114.9170.6-66.7164.4000108.4P1080 I1084 M1090P1080-I1082 PolarHBondContact O-N 3.46Å; I1082-I1084 WeakPolarHBondContact O-CG1 3.27Å; I1082-I1084 PolarHBondContact O-N 3.32Å; I1082-I1084 VanDerWaalsContact O-N 3.08Å; I1082-M1090 HydrophobicContact CD1-CE 4.21Å; I1082-M1090 HydrophobicContact CD1-SD 4.18Å; I1082-M1090 HydrophobicContact CG2-SD 3.89Å
1083S40.7Very low48.7Very low96 Ų9682.3 Ų82.367%0.67145%0.445SS*.  trans-71103171.661.10000110.1N1081 N1085N1081-S1083 PolarHBondContact O-N 2.78Å; S1083-N1085 VanDerWaalsContact C-N 3.32Å; S1083-N1085 PolarHBondContact O-N 3.08Å
1084I36.6Very low46.9Very low100 Ų10082 Ų8251%0.51345%0.447SS..  trans-71.980.3-173.3-47.6179000111.2I1082 N1154I1082-I1084 WeakPolarHBondContact O-CG1 3.27Å; I1082-I1084 PolarHBondContact O-N 3.32Å; I1082-I1084 VanDerWaalsContact O-N 3.08Å; I1084-N1154 HydrophobicContact CD1-CB 4.13Å
1085N38.8Very low45.1Very low153 Ų15385 Ų8582%0.81847%0.472SS*.SBendtrans-100.8-19.4174.4-88.6-35.2000113.9S1083S1083-N1085 VanDerWaalsContact C-N 3.32Å; S1083-N1085 PolarHBondContact O-N 3.08Å
1086N41.3Very low43.4Very low84 Ų8490.1 Ų90.145%0.44950%0.5SS..  trans-164.896.6169.7-169-6.3000112.1L1088 S1089N1086-L1088 VanDerWaalsContact C-N 3.26Å; N1086-L1088 PolarHBondContact O-N 3.49Å; N1086-L1088 WeakPolarHBondContact OD1-CB 3.22Å; N1086-L1088 PolarHBondContact OD1-N 3.37Å; N1086-S1089 WeakPolarHBondContact O-CB 3.29Å; N1086-S1089 PolarHBondContact O-N 3.24Å; N1086-S1089 PolarHBondContact O-OG 2.68Å
1087P37.9Very low41.8Very low60 Ų6089.2 Ų89.239%0.3950%0.502SS..Hα-helixtrans-62-32.3-179.424.1-33.3000113.1S1089 M1090P1087-S1089 PolarHBondContact O-N 3.46Å; P1087-S1089 VanDerWaalsContact O-N 3.17Å; P1087-M1090 PolarHBondContact O-N 3.28Å; P1087-M1090 VanDerWaalsContact O-N 3.16Å
1088L37.8Very low40.4Very low104 Ų10497.4 Ų97.455%0.54554%0.539SS..Hα-helixtrans-62.9-21.8175.8-59.8170.9000112.6N1086 L1201N1086-L1088 VanDerWaalsContact C-N 3.26Å; N1086-L1088 PolarHBondContact O-N 3.49Å; N1086-L1088 WeakPolarHBondContact OD1-CB 3.22Å; N1086-L1088 PolarHBondContact OD1-N 3.37Å; L1088-L1201 HydrophobicContact CD2-CD1 4.37Å
1089S46.1Very low39.2Very low57 Ų5796.7 Ų96.740%0.39955%0.549SS..Hα-helixtrans-76.3-25.6177.771.60000113.6N1086 P1087 H1092N1086-S1089 WeakPolarHBondContact O-CB 3.29Å; N1086-S1089 PolarHBondContact O-N 3.24Å; N1086-S1089 PolarHBondContact O-OG 2.68Å; P1087-S1089 PolarHBondContact O-N 3.46Å; P1087-S1089 VanDerWaalsContact O-N 3.17Å; S1089-H1092 PolarHBondContact O-N 2.82Å
1090M39.5Very low38.2Very low69 Ų69104.1 Ų104.134%0.3459%0.587SS.*Hα-helixtrans-77.6-34.9179.1-69.4-16069.800112.8I1082 P1087 H1092 V1093 I1094I1082-M1090 HydrophobicContact CD1-CE 4.21Å; I1082-M1090 HydrophobicContact CD1-SD 4.18Å; I1082-M1090 HydrophobicContact CG2-SD 3.89Å; P1087-M1090 PolarHBondContact O-N 3.28Å; P1087-M1090 VanDerWaalsContact O-N 3.16Å; M1090-H1092 PolarHBondContact O-N 3.26Å; M1090-V1093 WeakPolarHBondContact O-CB 3.38Å; M1090-V1093 PolarHBondContact O-N 3.1Å; M1090-I1094 PolarHBondContact O-N 3.42Å
1091L40.6Very low37.7Very low49 Ų49108 Ų10826%0.25760%0.604SS.*Hα-helixtrans-56.3-34.7170.5-74166.2000112V1093 S1095 I1197 L1201L1091-V1093 VanDerWaalsContact C-N 3.31Å; L1091-V1093 PolarHBondContact O-N 2.86Å; L1091-S1095 PolarHBondContact O-N 3.43Å; L1091-I1197 HydrophobicContact CD1-CG2 4.1Å; L1091-I1197 HydrophobicContact CD2-CG2 4.42Å; L1091-L1201 HydrophobicContact CD1-CD1 4.47Å
1092H40.5Very low37.2Very low132 Ų132106 Ų10661%0.61160%0.597SS**Hα-helixtrans-70.7-19.3175.1-92-60.8000114.9S1089 M1090S1089-H1092 PolarHBondContact O-N 2.82Å; M1090-H1092 PolarHBondContact O-N 3.26Å
1093V40.6Very low37Very low86 Ų86108.3 Ų108.352%0.52162%0.617SS.*Hα-helixtrans-78.2-43.2176.4179.70000110.5M1090 L1091 S1095 N1096M1090-V1093 WeakPolarHBondContact O-CB 3.38Å; M1090-V1093 PolarHBondContact O-N 3.1Å; L1091-V1093 VanDerWaalsContact C-N 3.31Å; L1091-V1093 PolarHBondContact O-N 2.86Å; V1093-S1095 PolarHBondContact O-N 3.42Å; V1093-N1096 PolarHBondContact O-N 3.25Å
1094I39Very low36.6Very low85 Ų85108 Ų10844%0.43662%0.62SS.*Hα-helixtrans-58.4-36.4177.2-61.8169.2000110.7M1090 N1096M1090-I1094 PolarHBondContact O-N 3.42Å; I1094-N1096 PolarHBondContact O-N 3.12Å
1095S37.1Very low36.4Very low95 Ų95109.8 Ų109.866%0.66464%0.636SS**THydrogen-bonded Turntrans-80.3-6.8-173.7-171.80000116.8L1091 V1093L1091-S1095 PolarHBondContact O-N 3.43Å; V1093-S1095 PolarHBondContact O-N 3.42Å
1096N33.4Very low36.1Very low117 Ų117108.6 Ų108.663%0.62663%0.634SS**THydrogen-bonded Turntrans-125.5-8-160.5-106-21.8000118V1093 I1094 Q1098V1093-N1096 PolarHBondContact O-N 3.25Å; I1094-N1096 PolarHBondContact O-N 3.12Å; N1096-Q1098 PolarHBondContact O-N 3.37Å; N1096-Q1098 VanDerWaalsContact O-N 3.08Å
1097N32Very low35.7Very low139 Ų139110.3 Ų110.374%0.74365%0.65SS**  trans-8970.2-171.1-76.9-23.9000114.2
1098Q33.1Very low35.4Very low194 Ų194113.6 Ų113.691%0.90767%0.669SS**  trans-101.384.1169.2-69.3-167800113.1N1096N1096-Q1098 PolarHBondContact O-N 3.37Å; N1096-Q1098 VanDerWaalsContact O-N 3.08Å
1099G28.3Very low35.2Very low71 Ų71113.8 Ų113.873%0.73268%0.679SS**  trans91.2123.3149.900000119.4
1100L32Very low34.5Very low173 Ų173117.7 Ų117.791%0.90670%0.695SS**  trans-161.9162.5132.7-135.968.1000111.1
1101D35.3Very low34.3Very low160 Ų160119 Ų11986%0.85671%0.711SS**  trans-97.2163.9-159.2-62.4-78.5000117.5
1102T32.2Very low34.1Very low128 Ų128124.6 Ų124.679%0.78574%0.736SS**  trans-84.8170.3-176.667.80000114.6
1103P34.1Very low33.8Very low123 Ų123123.1 Ų123.180%0.79973%0.732SS**  -153.1134.794.136.9-17.3000119.6
1104A32.3Very low33.7Very low88 Ų88123.1 Ų123.173%0.72774%0.736SS**  trans36.5116.9136.100000124.7
1105T31.5Very low33.4Very low139 Ų139124.9 Ų124.985%0.85375%0.746SS**  171.8150.6118.328.20000108.7
1106T32.4Very low33.6Very low127 Ų127123 Ų12378%0.77973%0.733SS**  cis-141.4161.34.6-1.90000108.6
1107P33Very low33.9Very low121 Ų121119.7 Ų119.779%0.78672%0.715SS**  trans-91.7153.8-166.435.9-34.6000115.6
1108V33.1Very low34.4Very low128 Ų128119.6 Ų119.678%0.77671%0.709SS**  trans-112.6156.5165.7176.30000109
1109S33.1Very low35.2Very low109 Ų109112.1 Ų112.176%0.76268%0.679SS**  trans-66.2132.7-173.144.60000114.3
1110N31.7Very low36.3Very low138 Ų138110 Ų11074%0.73865%0.65SS**  trans-92.9121.5176.8-66.2-48.3000112
1111S35.7Very low37.4Very low96 Ų96105.3 Ų105.367%0.67164%0.636SS**  trans-146.5-34.1160.652.30000113.3I1113S1111-I1113 VanDerWaalsContact C-N 3.33Å; S1111-I1113 PolarHBondContact O-N 2.95Å
1112E34.8Very low38.6Very low168 Ų168103 Ų10379%0.78562%0.62SS**THydrogen-bonded Turntrans-77.6-5.3-166.6-58.1173.214600115.8
1113I35.9Very low40.3Very low100 Ų10098.8 Ų98.851%0.51359%0.591SS.*Hα-helixtrans-80.2-27.4-169.5-60.6177.4000112.5S1111 D1115 S1116S1111-I1113 VanDerWaalsContact C-N 3.33Å; S1111-I1113 PolarHBondContact O-N 2.95Å; I1113-D1115 PolarHBondContact O-N 3.28Å; I1113-S1116 PolarHBondContact O-OG 3.47Å
1114S36.8Very low42Very low87 Ų8798.6 Ų98.661%0.60858%0.579SS**Hα-helixtrans-66.4-37.9-173.5-167.50000113.2S1116 I1117S1114-S1116 PolarHBondContact O-N 3.04Å; S1114-I1117 PolarHBondContact O-N 2.86Å
1115D34.4Very low43.9Very low122 Ų12295.7 Ų95.765%0.65256%0.555SS**Hα-helixtrans-75.1-30.3-171-52.2-36.8000111.6I1113 I1117 H1118I1113-D1115 PolarHBondContact O-N 3.28Å; D1115-I1117 PolarHBondContact O-N 2.91Å; D1115-I1117 VanDerWaalsContact O-N 3.11Å; D1115-H1118 PolarHBondContact O-N 2.96Å; D1115-H1118 VanDerWaalsContact O-N 3.08Å
1116S40.9Very low46Very low56 Ų5689.1 Ų89.139%0.39252%0.515SS..Hα-helixtrans-55.4-31.1177.172.20000113.8I1113 S1114 S1119I1113-S1116 PolarHBondContact O-OG 3.47Å; S1114-S1116 PolarHBondContact O-N 3.04Å; S1116-S1119 PolarHBondContact O-OG 3.47Å
1117I39.3Very low47.9Very low47 Ų4783.7 Ų83.724%0.24148%0.481CS..THydrogen-bonded Turntrans-77.3-23-176.4-61167.4000111.6S1114 D1115 S1119 K1178 L1179S1114-I1117 PolarHBondContact O-N 2.86Å; D1115-I1117 PolarHBondContact O-N 2.91Å; D1115-I1117 VanDerWaalsContact O-N 3.11Å; I1117-S1119 VanDerWaalsContact C-N 3.35Å; I1117-K1178 HydrophobicContact CG2-CB 4.27Å; I1117-L1179 HydrophobicContact CD1-CD1 3.79Å; I1117-L1179 HydrophobicContact CD1-CG 3.92Å; I1117-L1179 HydrophobicContact CG1-CD2 4.44Å; I1117-L1179 HydrophobicContact CG1-CG 4.34Å
1118H41.7Very low49.9Very low136 Ų13681 Ų8163%0.6347%0.465SS*.THydrogen-bonded Turntrans-74.4-25178.9-113.2-78.8000113.2D1115 I1120D1115-H1118 PolarHBondContact O-N 2.96Å; D1115-H1118 VanDerWaalsContact O-N 3.08Å; H1118-I1120 PolarHBondContact O-N 3.38Å
1119S50.4Low51.9Low38 Ų3875.3 Ų75.327%0.26643%0.43SS..SBendtrans-65-33.4179.668.30000114.1S1116 I1117 A1121 Q1122 Y1123S1116-S1119 PolarHBondContact O-OG 3.47Å; I1117-S1119 VanDerWaalsContact C-N 3.35Å; S1119-A1121 VanDerWaalsContact C-N 3.33Å; S1119-A1121 PolarHBondContact O-N 2.95Å; S1119-Q1122 WeakPolarHBondContact O-CB 3.4Å; S1119-Q1122 PolarHBondContact O-N 2.98Å; S1119-Y1123 WeakPolarHBondContact O-CD2 3.37Å; S1119-Y1123 VanDerWaalsContact O-CE2 3.3Å; S1119-Y1123 WeakPolarHBondContact O-CE2 3.49Å
1120I52.1Low53.9Low25 Ų2570.1 Ų70.113%0.12839%0.394CS..G310 helixtrans-68.3-32.8-164.4-53.9178.3000112.4H1118 Q1122 Y1123 Y1167 F1182H1118-I1120 PolarHBondContact O-N 3.38Å; I1120-Q1122 PolarHBondContact O-N 3.21Å; I1120-Y1123 PolarHBondContact O-N 3.32Å; I1120-Y1123 VanDerWaalsContact O-N 3.17Å; I1120-Y1167 HydrophobicContact CD1-CE1 3.68Å; I1120-F1182 HydrophobicContact CD1-CD1 4.09Å; I1120-F1182 HydrophobicContact CD1-CE1 4.03Å; I1120-F1182 HydrophobicContact CD1-CZ 4.44Å; I1120-F1182 HydrophobicContact CG2-CD2 3.81Å; I1120-F1182 HydrophobicContact CG2-CE1 4.38Å; I1120-F1182 HydrophobicContact CG2-CE2 3.49Å; I1120-F1182 VanDerWaalsContact CG2-CE2 3.49Å; I1120-F1182 HydrophobicContact CG2-CG 4.39Å; I1120-F1182 HydrophobicContact CG2-CZ 3.81Å
1121A54.7Low55.8Low75 Ų7563.8 Ų63.862%0.6236%0.36SS*.G310 helixtrans-64.4-23.1179.600000113.2S1119 Y1123S1119-A1121 VanDerWaalsContact C-N 3.33Å; S1119-A1121 PolarHBondContact O-N 2.95Å; A1121-Y1123 PolarHBondContact O-N 3.45Å
1122Q61.5Low57.6Low111 Ų11161.6 Ų61.652%0.51934%0.342SS..G310 helixtrans-73.5-14.1178.7-62.1171.9-49.900112.7L1016 S1119 I1120L1016-Q1122 HydrophobicContact CD1-CB 4.13Å; L1016-Q1122 HydrophobicContact CD2-CB 4.09Å; L1016-Q1122 WeakPolarHBondContact CD2-O 3.2Å; S1119-Q1122 WeakPolarHBondContact O-CB 3.4Å; S1119-Q1122 PolarHBondContact O-N 2.98Å; I1120-Q1122 PolarHBondContact O-N 3.21Å
1123Y68Low59.5Low40 Ų4053.6 Ų53.616%0.15731%0.305CS..G310 helixtrans-103.70.7-177.2-50.4-58.1000114L1016 W1072 M1075 S1119 I1120 A1121 A1125 I1126 L1127L1016-Y1123 HydrophobicContact CD1-CE1 4.29Å; L1016-Y1123 HydrophobicContact CD2-CD1 4.08Å; L1016-Y1123 HydrophobicContact CD2-CE1 4.01Å; L1016-Y1123 HydrophobicContact CG-CE1 4.4Å; W1072-Y1123 HydrophobicContact CZ3-CG 4.46Å; M1075-Y1123 HydrophobicContact CE-CD1 4.21Å; M1075-Y1123 HydrophobicContact CE-CE1 4.06Å; M1075-Y1123 HydrophobicContact CG-CE1 4.38Å; M1075-Y1123 HydrophobicContact SD-CD1 3.68Å; M1075-Y1123 HydrophobicContact SD-CE1 3.5Å; M1075-Y1123 VanDerWaalsContact SD-CE1 3.5Å; S1119-Y1123 WeakPolarHBondContact O-CD2 3.37Å; S1119-Y1123 VanDerWaalsContact O-CE2 3.3Å; S1119-Y1123 WeakPolarHBondContact O-CE2 3.49Å; I1120-Y1123 PolarHBondContact O-N 3.32Å; I1120-Y1123 VanDerWaalsContact O-N 3.17Å; A1121-Y1123 PolarHBondContact O-N 3.45Å; Y1123-A1125 PolarHBondContact O-N 3.3Å; Y1123-I1126 HydrophobicContact CD1-CD1 4.36Å; Y1123-I1126 PolarHBondContact O-N 3.06Å; Y1123-L1127 WeakPolarHBondContact O-CG 3.3Å; Y1123-L1127 PolarHBondContact O-N 3.09Å
1124E68.4Low60.9Low120 Ų12049.3 Ų49.356%0.56128%0.284SS*.Hα-helixtrans-61.9-40-173.8-170.8169.5168.900112.8L1127 S1128E1124-L1127 PolarHBondContact O-N 2.9Å; E1124-S1128 WeakPolarHBondContact O-CB 3.38Å; E1124-S1128 PolarHBondContact O-N 2.96Å; E1124-S1128 PolarHBondContact O-OG 3.21Å
1125A71.8Confident62.1Low27 Ų2746.5 Ų46.522%0.22327%0.268CS..Hα-helixtrans-67.4-39.4175.200000112.9F1019 Y1123 S1128 L1129F1019-A1125 HydrophobicContact CE1-CB 3.88Å; F1019-A1125 HydrophobicContact CZ-CB 4.42Å; Y1123-A1125 PolarHBondContact O-N 3.3Å; A1125-S1128 PolarHBondContact O-N 2.89Å; A1125-S1128 PolarHBondContact O-OG 2.87Å; A1125-S1128 VanDerWaalsContact O-OG 3.07Å; A1125-L1129 WeakPolarHBondContact O-CB 3.13Å; A1125-L1129 PolarHBondContact O-N 3.1Å
1126I75.5Confident63.2Low0 Ų044.3 Ų44.30%025%0.252CS..Hα-helixtrans-68.1-39.3178.2-47.5-179000110.2L1016 F1019 I1071 W1072 M1075 Y1123 S1130L1016-I1126 HydrophobicContact CD2-CD1 4.33Å; F1019-I1126 HydrophobicContact CB-CD1 4.42Å; F1019-I1126 HydrophobicContact CD1-CD1 4.08Å; F1019-I1126 HydrophobicContact CD1-CG1 3.65Å; F1019-I1126 HydrophobicContact CD2-CD1 4.32Å; F1019-I1126 HydrophobicContact CD2-CG1 4Å; F1019-I1126 HydrophobicContact CE1-CG1 3.61Å; F1019-I1126 HydrophobicContact CE2-CG1 3.94Å; F1019-I1126 HydrophobicContact CE2-CG2 4.48Å; F1019-I1126 HydrophobicContact CG-CD1 3.97Å; F1019-I1126 HydrophobicContact CG-CG1 3.85Å; F1019-I1126 HydrophobicContact CZ-CB 4.38Å; F1019-I1126 HydrophobicContact CZ-CG1 3.76Å; I1071-I1126 HydrophobicContact CG2-CD1 4.13Å; I1071-I1126 HydrophobicContact CG2-CG2 4.26Å; W1072-I1126 HydrophobicContact CD2-CG2 4.41Å; W1072-I1126 HydrophobicContact CH2-CB 4.17Å; W1072-I1126 HydrophobicContact CH2-CG2 4.09Å; W1072-I1126 HydrophobicContact CZ2-CB 3.91Å; W1072-I1126 HydrophobicContact CZ2-CG2 3.46Å; W1072-I1126 VanDerWaalsContact CZ2-CG2 3.46Å; M1075-I1126 HydrophobicContact CE-CD1 3.27Å; M1075-I1126 HydrophobicContact SD-CD1 3.86Å; Y1123-I1126 HydrophobicContact CD1-CD1 4.36Å; Y1123-I1126 PolarHBondContact O-N 3.06Å; I1126-S1130 VanDerWaalsContact O-CB 3.27Å; I1126-S1130 WeakPolarHBondContact O-CB 3.14Å; I1126-S1130 PolarHBondContact O-N 3.43Å; I1126-S1130 PolarHBondContact O-OG 3.46Å
1127L73Confident63.8Low14 Ų1444.4 Ų44.47%0.07325%0.252CS..Hα-helixtrans-63.4-52173.4-72.7171.2000111.5W1072 Y1123 E1124 L1129 S1130 F1131 F1159 F1185W1072-L1127 HydrophobicContact CH2-CD2 3.7Å; W1072-L1127 HydrophobicContact CH2-CG 3.86Å; W1072-L1127 HydrophobicContact CZ2-CD2 3.78Å; W1072-L1127 HydrophobicContact CZ2-CG 4.13Å; Y1123-L1127 WeakPolarHBondContact O-CG 3.3Å; Y1123-L1127 PolarHBondContact O-N 3.09Å; E1124-L1127 PolarHBondContact O-N 2.9Å; L1127-L1129 VanDerWaalsContact C-N 3.29Å; L1127-L1129 PolarHBondContact O-N 3.32Å; L1127-S1130 PolarHBondContact O-N 2.8Å; L1127-F1131 WeakPolarHBondContact O-CB 3.41Å; L1127-F1131 WeakPolarHBondContact O-CD2 3.46Å; L1127-F1131 PolarHBondContact O-N 3.17Å; L1127-F1159 HydrophobicContact CD2-CE1 3.77Å; L1127-F1159 HydrophobicContact CD2-CZ 3.98Å; L1127-F1185 HydrophobicContact CD1-CE1 4.38Å
1128S74.8Confident64.3Low64 Ų6447.8 Ų47.845%0.44828%0.275SS..Hα-helixtrans-62.6-37.4-177.469.30000112.1E1124 A1125 F1131 T1132E1124-S1128 WeakPolarHBondContact O-CB 3.38Å; E1124-S1128 PolarHBondContact O-N 2.96Å; E1124-S1128 PolarHBondContact O-OG 3.21Å; A1125-S1128 PolarHBondContact O-N 2.89Å; A1125-S1128 PolarHBondContact O-OG 2.87Å; A1125-S1128 VanDerWaalsContact O-OG 3.07Å; S1128-F1131 PolarHBondContact O-N 3.02Å; S1128-T1132 WeakPolarHBondContact O-CB 3.29Å; S1128-T1132 PolarHBondContact O-N 3.28Å; S1128-T1132 PolarHBondContact O-OG1 3.37Å
1129L76Confident64.5Low9 Ų951 Ų515%0.04729%0.287CS..Hα-helixtrans-71-41176.2-168.460.3000112.1F1019 L1026 V1030 F1068 A1125 L1127 F1131 T1132 L1133F1019-L1129 HydrophobicContact CE2-CD2 4.07Å; F1019-L1129 HydrophobicContact CZ-CD2 4.03Å; L1026-L1129 HydrophobicContact CB-CD2 3.83Å; V1030-L1129 HydrophobicContact CB-CD1 3.69Å; V1030-L1129 HydrophobicContact CB-CG 4.46Å; V1030-L1129 HydrophobicContact CG1-CD1 3.91Å; V1030-L1129 HydrophobicContact CG2-CD1 3.8Å; V1030-L1129 HydrophobicContact CG2-CG 4.04Å; F1068-L1129 HydrophobicContact CE1-CB 4.44Å; F1068-L1129 HydrophobicContact CE1-CD2 3.95Å; F1068-L1129 HydrophobicContact CE1-CG 4.07Å; F1068-L1129 HydrophobicContact CZ-CD2 3.68Å; F1068-L1129 HydrophobicContact CZ-CG 3.71Å; A1125-L1129 WeakPolarHBondContact O-CB 3.13Å; A1125-L1129 PolarHBondContact O-N 3.1Å; L1127-L1129 VanDerWaalsContact C-N 3.29Å; L1127-L1129 PolarHBondContact O-N 3.32Å; L1129-F1131 VanDerWaalsContact C-N 3.33Å; L1129-F1131 PolarHBondContact O-N 3.14Å; L1129-T1132 PolarHBondContact O-N 2.84Å; L1129-L1133 PolarHBondContact O-N 3.18Å
1130S74.8Confident63.9Low0 Ų051.4 Ų51.40%029%0.29CS..Hα-helixtrans-60.3-40.8171.5-58.70000111.8W1072 I1126 L1127 L1133 C1134W1072-S1130 PolarHBondContact NE1-OG 3.29Å; I1126-S1130 VanDerWaalsContact O-CB 3.27Å; I1126-S1130 WeakPolarHBondContact O-CB 3.14Å; I1126-S1130 PolarHBondContact O-N 3.43Å; I1126-S1130 PolarHBondContact O-OG 3.46Å; L1127-S1130 PolarHBondContact O-N 2.8Å; S1130-L1133 PolarHBondContact O-N 2.94Å; S1130-C1134 PolarHBondContact O-N 2.57Å; S1130-C1134 VanDerWaalsContact O-N 3.11Å; S1130-C1134 PolarHBondContact O-SG 3.13Å
1131F71.8Confident63.3Low5 Ų558.7 Ų58.72%0.02233%0.329CS..Hα-helixtrans-67.9-36.6174.4-84.6-62.5000112.6L1127 S1128 L1129 L1133 C1134 G1135 Y1136 F1156 W1160 L1189L1127-F1131 WeakPolarHBondContact O-CB 3.41Å; L1127-F1131 WeakPolarHBondContact O-CD2 3.46Å; L1127-F1131 PolarHBondContact O-N 3.17Å; S1128-F1131 PolarHBondContact O-N 3.02Å; L1129-F1131 VanDerWaalsContact C-N 3.33Å; L1129-F1131 PolarHBondContact O-N 3.14Å; F1131-L1133 VanDerWaalsContact C-N 3.35Å; F1131-C1134 CarbonylContact O-C 3.46Å; F1131-C1134 WeakPolarHBondContact O-CA 3.4Å; F1131-C1134 VanDerWaalsContact O-CB 3.31Å; F1131-C1134 WeakPolarHBondContact O-CB 3.34Å; F1131-C1134 PolarHBondContact O-N 2.81Å; F1131-C1134 VanDerWaalsContact O-N 3.08Å; F1131-G1135 PolarHBondContact O-N 3.11Å; F1131-Y1136 HydrophobicContact CB-CD1 4.21Å; F1131-Y1136 VanDerWaalsContact O-CB 3.31Å; F1131-Y1136 WeakPolarHBondContact O-CB 3.47Å; F1131-Y1136 PolarHBondContact O-N 2.77Å; F1131-F1156 HydrophobicContact CD1-CE1 4.41Å; F1131-F1156 HydrophobicContact CD1-CZ 4.06Å; F1131-F1156 HydrophobicContact CE1-CE1 4.01Å; F1131-F1156 AromaticContact CE1-CZ 3.7Å; F1131-F1156 HydrophobicContact CE1-CZ 3.7Å; F1131-F1156 HydrophobicContact CE2-CZ 4.45Å; F1131-F1156 AromaticContact CZ-CZ 3.91Å; F1131-F1156 HydrophobicContact CZ-CZ 3.91Å; F1131-W1160 HydrophobicContact CE2-CZ3 4.45Å; F1131-W1160 HydrophobicContact CZ-CE3 4.38Å; F1131-W1160 HydrophobicContact CZ-CH2 4.37Å; F1131-W1160 AromaticContact CZ-CZ3 3.73Å; F1131-W1160 HydrophobicContact CZ-CZ3 3.73Å; F1131-L1189 HydrophobicContact CE1-CD2 4.32Å; F1131-L1189 HydrophobicContact CE2-CD1 3.7Å; F1131-L1189 HydrophobicContact CE2-CD2 4.19Å; F1131-L1189 HydrophobicContact CZ-CD1 3.91Å; F1131-L1189 HydrophobicContact CZ-CD2 4.06Å; F1131-L1189 HydrophobicContact CZ-CG 4.4Å
1132T73.9Confident62.9Low49 Ų4962.5 Ų62.530%0.30133%0.334SS..Hα-helixtrans-64.9-41.6176.4-55.40000110.5V1030 V1034 S1128 L1129 C1134 G1135V1030-T1132 HydrophobicContact CG1-CG2 3.95Å; V1034-T1132 WeakPolarHBondContact CG2-O 3.37Å; S1128-T1132 WeakPolarHBondContact O-CB 3.29Å; S1128-T1132 PolarHBondContact O-N 3.28Å; S1128-T1132 PolarHBondContact O-OG1 3.37Å; L1129-T1132 PolarHBondContact O-N 2.84Å; T1132-C1134 PolarHBondContact O-N 2.93Å; T1132-G1135 WeakPolarHBondContact O-CA 3.48Å; T1132-G1135 PolarHBondContact O-N 3.36Å
1133L74.1Confident61.7Low0 Ų064.3 Ų64.30%034%0.342CS..Hα-helixtrans-61.5-33.2171.3-171.662.2000111.9V1030 C1033 L1064 E1065 F1068 L1129 S1130 F1131 G1135 L1148 F1152V1030-L1133 HydrophobicContact CG1-CB 3.93Å; V1030-L1133 HydrophobicContact CG1-CD1 4.35Å; V1030-L1133 HydrophobicContact CG2-CB 4.49Å; V1030-L1133 HydrophobicContact CG2-CD1 4.47Å; C1033-L1133 HydrophobicContact CB-CD1 4.41Å; L1064-L1133 HydrophobicContact CD2-CD1 4.44Å; E1065-L1133 HydrophobicContact CG-CD2 4.09Å; F1068-L1133 HydrophobicContact CD2-CD2 3.79Å; F1068-L1133 HydrophobicContact CE2-CD2 3.95Å; L1129-L1133 PolarHBondContact O-N 3.18Å; S1130-L1133 PolarHBondContact O-N 2.94Å; F1131-L1133 VanDerWaalsContact C-N 3.35Å; L1133-G1135 PolarHBondContact O-N 2.8Å; L1133-L1148 HydrophobicContact CG-CD2 4.36Å; L1133-F1152 HydrophobicContact CD2-CZ 4.3Å
1134C65.8Low60.6Low10 Ų1064.2 Ų64.27%0.06835%0.347CS..THydrogen-bonded Turntrans-71.33.4170.7-630000115S1130 F1131 T1132 L1148 I1196S1130-C1134 PolarHBondContact O-N 2.57Å; S1130-C1134 VanDerWaalsContact O-N 3.11Å; S1130-C1134 PolarHBondContact O-SG 3.13Å; F1131-C1134 CarbonylContact O-C 3.46Å; F1131-C1134 WeakPolarHBondContact O-CA 3.4Å; F1131-C1134 VanDerWaalsContact O-CB 3.31Å; F1131-C1134 WeakPolarHBondContact O-CB 3.34Å; F1131-C1134 PolarHBondContact O-N 2.81Å; F1131-C1134 VanDerWaalsContact O-N 3.08Å; T1132-C1134 PolarHBondContact O-N 2.93Å; C1134-L1148 HydrophobicContact CB-CD1 4.35Å; C1134-I1196 HydrophobicContact CB-CD1 4.27Å
1135G61.2Low59.7Low28 Ų2862.7 Ų62.729%0.28935%0.35SS..THydrogen-bonded Turntrans83.114.4-178.400000115.4F1131 T1132 L1133 S1137F1131-G1135 PolarHBondContact O-N 3.11Å; T1132-G1135 WeakPolarHBondContact O-CA 3.48Å; T1132-G1135 PolarHBondContact O-N 3.36Å; L1133-G1135 PolarHBondContact O-N 2.8Å; G1135-S1137 PolarHBondContact O-N 3.09Å
1136Y57.5Low58.9Low77 Ų7762.2 Ų62.230%0.30234%0.344SS..  trans-86.7102.5176.3-178.9-107.8000111.8F1131 V1138 L1189 E1192F1131-Y1136 HydrophobicContact CB-CD1 4.21Å; F1131-Y1136 VanDerWaalsContact O-CB 3.31Å; F1131-Y1136 WeakPolarHBondContact O-CB 3.47Å; F1131-Y1136 PolarHBondContact O-N 2.77Å; Y1136-V1138 HydrophobicContact CD1-CG2 4.28Å; Y1136-V1138 HydrophobicContact CE1-CG2 3.68Å; Y1136-L1189 HydrophobicContact CE1-CD2 4.43Å; Y1136-E1192 HydrophobicContact CD2-CB 4.5Å; Y1136-E1192 HydrophobicContact CE2-CB 4.4Å; Y1136-E1192 HydrophobicContact CE2-CG 4.01Å
1137S53.2Low58Low58 Ų5870 Ų7041%0.40638%0.38SS..  trans-93.7122.6169.2178.20000111G1135 K1139 S1140G1135-S1137 PolarHBondContact O-N 3.09Å; S1137-K1139 PolarHBondContact O-N 2.82Å; S1137-K1139 VanDerWaalsContact O-N 3.12Å; S1137-K1139 PolarHBondContact OG-N 3.46Å; S1137-S1140 WeakPolarHBondContact CB-OG 3.44Å; S1137-S1140 PolarHBondContact OG-N 3.49Å; S1137-S1140 PolarHBondContact OG-OG 3.03Å
1138V49.2Very low57.4Low117 Ų11770.3 Ų70.371%0.70938%0.382SS*.THydrogen-bonded Turntrans-66-11.2175.7178.80000112.8Y1136Y1136-V1138 HydrophobicContact CD1-CG2 4.28Å; Y1136-V1138 HydrophobicContact CE1-CG2 3.68Å
1139K46.2Very low56.9Low204 Ų20468.4 Ų68.489%0.88737%0.368SS*.THydrogen-bonded Turntrans-130.22.2-166.3-67.4-175.7180174.80116.4S1137S1137-K1139 PolarHBondContact O-N 2.82Å; S1137-K1139 VanDerWaalsContact O-N 3.12Å; S1137-K1139 PolarHBondContact OG-N 3.46Å
1140S39.3Very low56.4Low46 Ų4673.1 Ų73.132%0.32240%0.397SS..  trans-136.7125.8-177.758.20000113.5S1137 Q1142S1137-S1140 WeakPolarHBondContact CB-OG 3.44Å; S1137-S1140 PolarHBondContact OG-N 3.49Å; S1137-S1140 PolarHBondContact OG-OG 3.03Å; S1140-Q1142 PolarHBondContact O-N 2.99Å
1141N38.2Very low56Low178 Ų17877.9 Ų77.995%0.95243%0.426SS*.  trans-83.218.2176.6-76.6-21.3000113.1
1142Q45.7Very low56Low155 Ų15577.7 Ų77.772%0.72443%0.425SS*.  trans-96.3116.3176.7-83.5165.1-75.100110S1140 S1144S1140-Q1142 PolarHBondContact O-N 2.99Å; Q1142-S1144 PolarHBondContact O-N 3.41Å
1143E37.3Very low55.7Low149 Ų14975.9 Ų75.970%0.69641%0.414SS*.  trans-73.4109.3179.4-59.8-170.2111.600110.7R1199E1143-R1199 IonicContact OE1-CZ 2.69Å; E1143-R1199 IonicContact OE1-NE 2.68Å; E1143-R1199 IonicContact OE1-NH2 3.68Å; E1143-R1199 PolarHBondContact OE1-NH2 3.15Å
1144S44.9Very low55.4Low38 Ų3878.9 Ų78.927%0.26643%0.43SS..  trans-105.2141.6168.140.50000109.8Q1142Q1142-S1144 PolarHBondContact O-N 3.41Å
1145S49.1Very low55.6Low88 Ų8880.1 Ų80.162%0.61543%0.433SS*.  trans-109.769-167.845.40000112.5
1146L54.7Low56Low17 Ų1778.8 Ų78.89%0.08942%0.419CS..  trans-60136176.4-83.395.7000112.4V1034 E1037 L1148V1034-L1146 HydrophobicContact CG1-CD1 4.36Å; V1034-L1146 HydrophobicContact CG2-CD1 4.37Å; V1034-L1146 HydrophobicContact CG2-CD2 3.93Å; E1037-L1146 HydrophobicContact CB-CD2 4.31Å; E1037-L1146 HydrophobicContact CB-CG 3.97Å; E1037-L1146 WeakPolarHBondContact OE2-CA 3.23Å; E1037-L1146 VanDerWaalsContact OE2-CB 3.3Å; E1037-L1146 WeakPolarHBondContact OE2-CB 3.41Å; E1037-L1146 WeakPolarHBondContact OE2-CD2 3.12Å; E1037-L1146 VanDerWaalsContact OE2-CG 3.22Å; E1037-L1146 WeakPolarHBondContact OE2-CG 3.27Å; L1146-L1148 PolarHBondContact O-N 2.88Å
1147Q57.5Low56.5Low164 Ų16476.8 Ų76.877%0.76641%0.414SS*.  trans-100.785.1-177.8-171178.1-5.300110.8E1037 K1061E1037-Q1147 PolarHBondContact OE2-N 3.41Å; K1061-Q1147 VanDerWaalsContact NZ-C 3.26Å; K1061-Q1147 PolarHBondContact NZ-O 3.28Å
1148L61Low57Low21 Ų2174.4 Ų74.411%0.1140%0.398CS..  trans-72.8154.9-179.6-65.8136000112.6L1133 C1134 L1146 F1152 M1153L1133-L1148 HydrophobicContact CG-CD2 4.36Å; C1134-L1148 HydrophobicContact CB-CD1 4.35Å; L1146-L1148 PolarHBondContact O-N 2.88Å; L1148-F1152 HydrophobicContact CD2-CD1 3.9Å; L1148-F1152 HydrophobicContact CD2-CE1 4Å; L1148-M1153 HydrophobicContact CB-CG 3.82Å; L1148-M1153 HydrophobicContact CB-SD 4.03Å; L1148-M1153 HydrophobicContact CD1-SD 3.78Å; L1148-M1153 HydrophobicContact CG-SD 4.42Å
1149S64.6Low57.9Low24 Ų2469.1 Ų69.117%0.16837%0.365CS..  trans-69.2148.3174.382.90000112.7E1065 T1151 F1152 M1153E1065-S1149 PolarHBondContact OE1-N 2.96Å; E1065-S1149 VanDerWaalsContact OE1-N 3.14Å; E1065-S1149 WeakPolarHBondContact OE2-CB 3.49Å; E1065-S1149 PolarHBondContact OE2-N 3.43Å; E1065-S1149 PolarHBondContact OE2-OG 2.93Å; S1149-T1151 PolarHBondContact O-N 2.96Å; S1149-T1151 PolarHBondContact OG-N 3.37Å; S1149-F1152 PolarHBondContact O-N 3.25Å; S1149-F1152 WeakPolarHBondContact OG-CB 3.4Å; S1149-F1152 PolarHBondContact OG-N 2.91Å; S1149-F1152 VanDerWaalsContact OG-N 3.09Å; S1149-M1153 WeakPolarHBondContact O-CB 3.36Å; S1149-M1153 WeakPolarHBondContact O-CG 3.5Å; S1149-M1153 PolarHBondContact O-N 3.18Å
1150V63.7Low58.9Low107 Ų10759.9 Ų59.965%0.64833%0.325SS*.Hα-helixtrans-61.4-28.7173.7175.80000111.4N1154V1150-N1154 WeakPolarHBondContact CG1-ND2 3.25Å; V1150-N1154 VanDerWaalsContact O-CB 3.23Å; V1150-N1154 WeakPolarHBondContact O-CB 3.28Å; V1150-N1154 PolarHBondContact O-N 2.95Å; V1150-N1154 PolarHBondContact O-ND2 3.3Å; V1150-N1154 VanDerWaalsContact O-ND2 3.08Å
1151T67.9Low60.1Low100 Ų10058.7 Ų58.761%0.61332%0.315SS*.Hα-helixtrans-68.4-53177.7-510000111.1I1069 S1149 N1154 W1155I1069-T1151 HydrophobicContact CD1-CG2 4.46Å; S1149-T1151 PolarHBondContact O-N 2.96Å; S1149-T1151 PolarHBondContact OG-N 3.37Å; T1151-N1154 PolarHBondContact O-N 2.87Å; T1151-W1155 WeakPolarHBondContact O-CB 3.43Å; T1151-W1155 PolarHBondContact O-N 3.35Å
1152F71.2Confident61.4Low1 Ų154.1 Ų54.10%0.00429%0.285CS..Hα-helixtrans-60.8-45.9177.1-177.8-93.6000111.2E1065 F1068 I1069 L1133 L1148 S1149 W1155 F1156E1065-F1152 HydrophobicContact CB-CB 4.25Å; E1065-F1152 HydrophobicContact CB-CD2 3.95Å; E1065-F1152 HydrophobicContact CB-CG 4.28Å; E1065-F1152 HydrophobicContact CG-CB 4.23Å; E1065-F1152 HydrophobicContact CG-CD2 4.12Å; E1065-F1152 HydrophobicContact CG-CG 4.11Å; E1065-F1152 VanDerWaalsContact OE2-CB 3.29Å; E1065-F1152 WeakPolarHBondContact OE2-CB 3.5Å; F1068-F1152 HydrophobicContact CB-CE2 3.97Å; I1069-F1152 HydrophobicContact CD1-CB 4.38Å; I1069-F1152 HydrophobicContact CD1-CD2 4.23Å; I1069-F1152 HydrophobicContact CG1-CD2 4.07Å; L1133-F1152 HydrophobicContact CD2-CZ 4.3Å; L1148-F1152 HydrophobicContact CD2-CD1 3.9Å; L1148-F1152 HydrophobicContact CD2-CE1 4Å; S1149-F1152 PolarHBondContact O-N 3.25Å; S1149-F1152 WeakPolarHBondContact OG-CB 3.4Å; S1149-F1152 PolarHBondContact OG-N 2.91Å; S1149-F1152 VanDerWaalsContact OG-N 3.09Å; F1152-W1155 PolarHBondContact O-N 3.09Å; F1152-F1156 WeakPolarHBondContact O-CB 3.12Å; F1152-F1156 PolarHBondContact O-N 2.86Å
1153M67.8Low62.3Low11 Ų1147.5 Ų47.55%0.05425%0.254CS..Hα-helixtrans-61.9-45.4177.6-72.6-59.7-54.900113L1148 S1149 W1155 F1156 I1157 I1196 T1200L1148-M1153 HydrophobicContact CB-CG 3.82Å; L1148-M1153 HydrophobicContact CB-SD 4.03Å; L1148-M1153 HydrophobicContact CD1-SD 3.78Å; L1148-M1153 HydrophobicContact CG-SD 4.42Å; S1149-M1153 WeakPolarHBondContact O-CB 3.36Å; S1149-M1153 WeakPolarHBondContact O-CG 3.5Å; S1149-M1153 PolarHBondContact O-N 3.18Å; M1153-W1155 VanDerWaalsContact C-N 3.34Å; M1153-W1155 PolarHBondContact O-N 2.87Å; M1153-F1156 PolarHBondContact O-N 3.38Å; M1153-I1157 WeakPolarHBondContact O-CB 3.21Å; M1153-I1157 WeakPolarHBondContact O-CD1 3.16Å; M1153-I1157 WeakPolarHBondContact O-CG1 3.41Å; M1153-I1157 PolarHBondContact O-N 2.83Å; M1153-I1196 HydrophobicContact CE-CG2 3.95Å; M1153-T1200 HydrophobicContact CE-CG2 3.96Å; M1153-T1200 HydrophobicContact SD-CG2 4.3Å
1154N67.7Low63.5Low63 Ų6342.4 Ų42.434%0.33723%0.234SC..Hα-helixtrans-63.5-40.1176.7-79-31.7000112.1I1084 V1150 T1151 G1158I1084-N1154 HydrophobicContact CD1-CB 4.13Å; V1150-N1154 WeakPolarHBondContact CG1-ND2 3.25Å; V1150-N1154 VanDerWaalsContact O-CB 3.23Å; V1150-N1154 WeakPolarHBondContact O-CB 3.28Å; V1150-N1154 PolarHBondContact O-N 2.95Å; V1150-N1154 PolarHBondContact O-ND2 3.3Å; V1150-N1154 VanDerWaalsContact O-ND2 3.08Å; T1151-N1154 PolarHBondContact O-N 2.87Å; N1154-G1158 PolarHBondContact O-N 2.96Å
1155W70.1Confident64.3Low36 Ų3645.6 Ų45.614%0.13625%0.248CC..Hα-helixtrans-63.4-47.8176-178.791.8000111.1W1072 V1077 T1151 F1152 M1153 I1157 G1158 F1159W1072-W1155 HydrophobicContact CB-CH2 3.31Å; W1072-W1155 HydrophobicContact CB-CZ2 3.33Å; W1072-W1155 HydrophobicContact CB-CZ3 4.27Å; W1072-W1155 AromaticContact CD1-CH2 3.44Å; W1072-W1155 VanDerWaalsContact CD1-CH2 3.44Å; W1072-W1155 AromaticContact CD1-CZ3 3.64Å; W1072-W1155 AromaticContact CD2-CH2 3.95Å; W1072-W1155 HydrophobicContact CD2-CH2 3.95Å; W1072-W1155 AromaticContact CG-CH2 3.28Å; W1072-W1155 HydrophobicContact CG-CH2 3.28Å; W1072-W1155 AromaticContact CG-CZ2 3.89Å; W1072-W1155 HydrophobicContact CG-CZ2 3.89Å; W1072-W1155 AromaticContact CG-CZ3 3.98Å; W1072-W1155 HydrophobicContact CG-CZ3 3.98Å; V1077-W1155 WeakPolarHBondContact O-CZ2 3.47Å; T1151-W1155 WeakPolarHBondContact O-CB 3.43Å; T1151-W1155 PolarHBondContact O-N 3.35Å; F1152-W1155 PolarHBondContact O-N 3.09Å; M1153-W1155 VanDerWaalsContact C-N 3.34Å; M1153-W1155 PolarHBondContact O-N 2.87Å; W1155-I1157 VanDerWaalsContact C-N 3.35Å; W1155-I1157 PolarHBondContact O-N 3.34Å; W1155-G1158 PolarHBondContact O-N 3.19Å; W1155-G1158 VanDerWaalsContact O-N 3.14Å; W1155-F1159 HydrophobicContact CE3-CB 4.46Å; W1155-F1159 HydrophobicContact CH2-CB 3.72Å; W1155-F1159 AromaticContact CH2-CD1 3.79Å; W1155-F1159 HydrophobicContact CH2-CD1 3.79Å; W1155-F1159 HydrophobicContact CH2-CD2 4.41Å; W1155-F1159 HydrophobicContact CH2-CE1 4.49Å; W1155-F1159 AromaticContact CH2-CG 3.72Å; W1155-F1159 HydrophobicContact CH2-CG 3.72Å; W1155-F1159 HydrophobicContact CZ2-CB 4.11Å; W1155-F1159 HydrophobicContact CZ2-CG 4.4Å; W1155-F1159 HydrophobicContact CZ3-CB 3.96Å; W1155-F1159 AromaticContact CZ3-CD1 3.92Å; W1155-F1159 HydrophobicContact CZ3-CD1 3.92Å; W1155-F1159 HydrophobicContact CZ3-CG 4.15Å; W1155-F1159 PolarHBondContact O-N 2.95Å
1156F69.3Low64.8Low0 Ų044.7 Ų44.70%023%0.234CC..Hα-helixtrans-65.1-36179.9-166.5-119.5000112.2F1131 F1152 M1153 F1159 W1160 F1193F1131-F1156 HydrophobicContact CD1-CE1 4.41Å; F1131-F1156 HydrophobicContact CD1-CZ 4.06Å; F1131-F1156 HydrophobicContact CE1-CE1 4.01Å; F1131-F1156 AromaticContact CE1-CZ 3.7Å; F1131-F1156 HydrophobicContact CE1-CZ 3.7Å; F1131-F1156 HydrophobicContact CE2-CZ 4.45Å; F1131-F1156 AromaticContact CZ-CZ 3.91Å; F1131-F1156 HydrophobicContact CZ-CZ 3.91Å; F1152-F1156 WeakPolarHBondContact O-CB 3.12Å; F1152-F1156 PolarHBondContact O-N 2.86Å; M1153-F1156 PolarHBondContact O-N 3.38Å; F1156-F1159 HydrophobicContact CD2-CD1 4.02Å; F1156-F1159 HydrophobicContact CE2-CD1 4.16Å; F1156-F1159 HydrophobicContact CE2-CE1 4.42Å; F1156-F1159 PolarHBondContact O-N 3.35Å; F1156-W1160 WeakPolarHBondContact O-CB 3.27Å; F1156-W1160 PolarHBondContact O-N 2.83Å; F1156-F1193 HydrophobicContact CD1-CD2 4.38Å; F1156-F1193 AromaticContact CD1-CE2 3.75Å; F1156-F1193 HydrophobicContact CD1-CE2 3.75Å; F1156-F1193 AromaticContact CE1-CD2 3.9Å; F1156-F1193 HydrophobicContact CE1-CD2 3.9Å; F1156-F1193 AromaticContact CE1-CE2 3.71Å; F1156-F1193 HydrophobicContact CE1-CE2 3.71Å
1157I67.4Low64.9Low36 Ų3647.9 Ų47.919%0.18525%0.245CC..Hα-helixtrans-64.3-43.6171.6-69.5165.3000111.4M1153 W1155 N1161 F1193 I1197M1153-I1157 WeakPolarHBondContact O-CB 3.21Å; M1153-I1157 WeakPolarHBondContact O-CD1 3.16Å; M1153-I1157 WeakPolarHBondContact O-CG1 3.41Å; M1153-I1157 PolarHBondContact O-N 2.83Å; W1155-I1157 VanDerWaalsContact C-N 3.35Å; W1155-I1157 PolarHBondContact O-N 3.34Å; I1157-N1161 WeakPolarHBondContact O-CB 3.32Å; I1157-N1161 VanDerWaalsContact O-CG 3.24Å; I1157-N1161 PolarHBondContact O-N 3.37Å; I1157-N1161 PolarHBondContact O-ND2 2.96Å; I1157-N1161 VanDerWaalsContact O-ND2 3.15Å; I1157-F1193 HydrophobicContact CG1-CZ 4.28Å; I1157-I1197 HydrophobicContact CD1-CD1 4.31Å; I1157-I1197 HydrophobicContact CD1-CG1 4.2Å; I1157-I1197 HydrophobicContact CG1-CD1 3.96Å; I1157-I1197 HydrophobicContact CG1-CG1 4.14Å
1158G65.3Low64.9Low7 Ų742.7 Ų42.77%0.07223%0.226CC..Hα-helixtrans-59.9-45.3173.300000112.2P1079 N1154 W1155 N1161 Y1162P1079-G1158 WeakPolarHBondContact CB-O 3.32Å; N1154-G1158 PolarHBondContact O-N 2.96Å; W1155-G1158 PolarHBondContact O-N 3.19Å; W1155-G1158 VanDerWaalsContact O-N 3.14Å; G1158-N1161 PolarHBondContact O-N 3.05Å; G1158-Y1162 PolarHBondContact O-N 3.09Å
1159F67.7Low64.4Low6 Ų646.5 Ų46.53%0.02625%0.25CS..Hα-helixtrans-64.4-43.9179.5167.5-129.5000112.2W1072 V1077 L1127 W1155 F1156 N1161 Y1162 L1163W1072-F1159 HydrophobicContact CE3-CZ 4.32Å; W1072-F1159 HydrophobicContact CH2-CE1 4.29Å; W1072-F1159 HydrophobicContact CH2-CZ 4.01Å; W1072-F1159 HydrophobicContact CZ2-CE1 4.24Å; W1072-F1159 HydrophobicContact CZ2-CZ 4.4Å; W1072-F1159 AromaticContact CZ3-CZ 3.96Å; W1072-F1159 HydrophobicContact CZ3-CZ 3.96Å; V1077-F1159 HydrophobicContact CG1-CD2 3.29Å; V1077-F1159 HydrophobicContact CG1-CE2 3.23Å; V1077-F1159 HydrophobicContact CG1-CG 4.3Å; V1077-F1159 HydrophobicContact CG1-CZ 4.18Å; L1127-F1159 HydrophobicContact CD2-CE1 3.77Å; L1127-F1159 HydrophobicContact CD2-CZ 3.98Å; W1155-F1159 HydrophobicContact CE3-CB 4.46Å; W1155-F1159 HydrophobicContact CH2-CB 3.72Å; W1155-F1159 AromaticContact CH2-CD1 3.79Å; W1155-F1159 HydrophobicContact CH2-CD1 3.79Å; W1155-F1159 HydrophobicContact CH2-CD2 4.41Å; W1155-F1159 HydrophobicContact CH2-CE1 4.49Å; W1155-F1159 AromaticContact CH2-CG 3.72Å; W1155-F1159 HydrophobicContact CH2-CG 3.72Å; W1155-F1159 HydrophobicContact CZ2-CB 4.11Å; W1155-F1159 HydrophobicContact CZ2-CG 4.4Å; W1155-F1159 HydrophobicContact CZ3-CB 3.96Å; W1155-F1159 AromaticContact CZ3-CD1 3.92Å; W1155-F1159 HydrophobicContact CZ3-CD1 3.92Å; W1155-F1159 HydrophobicContact CZ3-CG 4.15Å; W1155-F1159 PolarHBondContact O-N 2.95Å; F1156-F1159 HydrophobicContact CD2-CD1 4.02Å; F1156-F1159 HydrophobicContact CE2-CD1 4.16Å; F1156-F1159 HydrophobicContact CE2-CE1 4.42Å; F1156-F1159 PolarHBondContact O-N 3.35Å; F1159-N1161 PolarHBondContact O-N 3.09Å; F1159-Y1162 WeakPolarHBondContact O-CB 3.4Å; F1159-Y1162 PolarHBondContact O-N 3.18Å; F1159-Y1162 VanDerWaalsContact O-N 3.15Å; F1159-L1163 HydrophobicContact CD2-CD1 4.4Å; F1159-L1163 HydrophobicContact CD2-CG 4.12Å; F1159-L1163 HydrophobicContact CE1-CD1 4.04Å; F1159-L1163 HydrophobicContact CE2-CD1 3.71Å; F1159-L1163 HydrophobicContact CE2-CD2 3.93Å; F1159-L1163 HydrophobicContact CE2-CG 3.6Å; F1159-L1163 HydrophobicContact CZ-CD1 3.53Å; F1159-L1163 HydrophobicContact CZ-CD2 4.37Å; F1159-L1163 HydrophobicContact CZ-CG 3.99Å; F1159-L1163 PolarHBondContact O-N 3.14Å
1160W67Low63.5Low11 Ų1153 Ų534%0.04228%0.275CS..Hα-helixtrans-61.8-45.3175.9-168.7-95.4000112F1131 F1156 Y1162 L1163 V1164 L1186 L1189 F1193F1131-W1160 HydrophobicContact CE2-CZ3 4.45Å; F1131-W1160 HydrophobicContact CZ-CE3 4.38Å; F1131-W1160 HydrophobicContact CZ-CH2 4.37Å; F1131-W1160 AromaticContact CZ-CZ3 3.73Å; F1131-W1160 HydrophobicContact CZ-CZ3 3.73Å; F1156-W1160 WeakPolarHBondContact O-CB 3.27Å; F1156-W1160 PolarHBondContact O-N 2.83Å; W1160-Y1162 VanDerWaalsContact C-N 3.26Å; W1160-Y1162 PolarHBondContact O-N 3.45Å; W1160-L1163 PolarHBondContact O-N 2.94Å; W1160-V1164 WeakPolarHBondContact O-CG2 3.47Å; W1160-V1164 PolarHBondContact O-N 3.03Å; W1160-L1186 HydrophobicContact CH2-CB 4.49Å; W1160-L1186 HydrophobicContact CH2-CD2 3.53Å; W1160-L1186 HydrophobicContact CZ2-CD2 4.23Å; W1160-L1186 HydrophobicContact CZ3-CD2 3.77Å; W1160-L1189 HydrophobicContact CH2-CB 3.66Å; W1160-L1189 HydrophobicContact CH2-CD1 4.33Å; W1160-L1189 HydrophobicContact CZ2-CB 4.32Å; W1160-F1193 HydrophobicContact CB-CD2 4.43Å; W1160-F1193 HydrophobicContact CB-CE1 3.76Å; W1160-F1193 HydrophobicContact CB-CE2 3.63Å; W1160-F1193 HydrophobicContact CB-CZ 3.24Å; W1160-F1193 AromaticContact CD1-CD1 3.42Å; W1160-F1193 VanDerWaalsContact CD1-CD1 3.42Å; W1160-F1193 AromaticContact CD1-CE1 3.12Å; W1160-F1193 AromaticContact CD1-CZ 3.62Å; W1160-F1193 HydrophobicContact CD2-CD1 4.01Å; W1160-F1193 AromaticContact CD2-CD2 3.89Å; W1160-F1193 HydrophobicContact CD2-CD2 3.89Å; W1160-F1193 HydrophobicContact CD2-CE1 4.09Å; W1160-F1193 AromaticContact CD2-CE2 3.99Å; W1160-F1193 HydrophobicContact CD2-CE2 3.99Å; W1160-F1193 AromaticContact CD2-CG 3.91Å; W1160-F1193 HydrophobicContact CD2-CG 3.91Å; W1160-F1193 HydrophobicContact CD2-CZ 4.09Å; W1160-F1193 AromaticContact CE2-CD1 3.84Å; W1160-F1193 AromaticContact CE2-CG 3.87Å; W1160-F1193 HydrophobicContact CE3-CD2 4.17Å; W1160-F1193 HydrophobicContact CE3-CE2 4.37Å; W1160-F1193 AromaticContact CG-CD1 3.75Å; W1160-F1193 HydrophobicContact CG-CD1 3.75Å; W1160-F1193 HydrophobicContact CG-CD2 4.02Å; W1160-F1193 AromaticContact CG-CE1 3.35Å; W1160-F1193 HydrophobicContact CG-CE1 3.35Å; W1160-F1193 AromaticContact CG-CE2 3.67Å; W1160-F1193 HydrophobicContact CG-CE2 3.67Å; W1160-F1193 HydrophobicContact CG-CG 4.06Å; W1160-F1193 AromaticContact CG-CZ 3.32Å; W1160-F1193 HydrophobicContact CG-CZ 3.32Å; W1160-F1193 HydrophobicContact CZ2-CB 4.33Å; W1160-F1193 HydrophobicContact CZ2-CG 4.42Å; W1160-F1193 AromaticContact NE1-CD1 3.44Å; W1160-F1193 AromaticContact NE1-CE1 3.69Å; W1160-F1193 AromaticContact NE1-CG 3.96Å
1161N64.1Low62.3Low21 Ų2156 Ų5611%0.11228%0.283CS..Hα-helixtrans-59.1-38.3174.5-70.6-28.2000111.5I1157 G1158 F1159 V1164 D1165I1157-N1161 WeakPolarHBondContact O-CB 3.32Å; I1157-N1161 VanDerWaalsContact O-CG 3.24Å; I1157-N1161 PolarHBondContact O-N 3.37Å; I1157-N1161 PolarHBondContact O-ND2 2.96Å; I1157-N1161 VanDerWaalsContact O-ND2 3.15Å; G1158-N1161 PolarHBondContact O-N 3.05Å; F1159-N1161 PolarHBondContact O-N 3.09Å; N1161-V1164 PolarHBondContact O-N 3.45Å; N1161-D1165 WeakPolarHBondContact O-CB 3.45Å; N1161-D1165 PolarHBondContact O-N 3.45Å
1162Y66Low61Low81 Ų8157.1 Ų57.132%0.31829%0.289SS..Hα-helixtrans-66.5-41.3175.2176.2-102.9000113.3G1158 F1159 W1160 Q1166G1158-Y1162 PolarHBondContact O-N 3.09Å; F1159-Y1162 WeakPolarHBondContact O-CB 3.4Å; F1159-Y1162 PolarHBondContact O-N 3.18Å; F1159-Y1162 VanDerWaalsContact O-N 3.15Å; W1160-Y1162 VanDerWaalsContact C-N 3.26Å; W1160-Y1162 PolarHBondContact O-N 3.45Å; Y1162-Q1166 HydrophobicContact CD2-CG 4.14Å; Y1162-Q1166 HydrophobicContact CE1-CG 4.19Å; Y1162-Q1166 HydrophobicContact CE2-CG 3.67Å; Y1162-Q1166 WeakPolarHBondContact O-CB 3.45Å; Y1162-Q1166 WeakPolarHBondContact O-CG 3.14Å; Y1162-Q1166 PolarHBondContact O-N 2.97Å; Y1162-Q1166 PolarHBondContact OH-NE2 3.38Å
1163L64.7Low59.4Low16 Ų1666.9 Ų66.98%0.08433%0.332CS..Hα-helixtrans-62.3-45.1172.6-75179.8000111.5F1159 W1160 Y1167 L1186F1159-L1163 HydrophobicContact CD2-CD1 4.4Å; F1159-L1163 HydrophobicContact CD2-CG 4.12Å; F1159-L1163 HydrophobicContact CE1-CD1 4.04Å; F1159-L1163 HydrophobicContact CE2-CD1 3.71Å; F1159-L1163 HydrophobicContact CE2-CD2 3.93Å; F1159-L1163 HydrophobicContact CE2-CG 3.6Å; F1159-L1163 HydrophobicContact CZ-CD1 3.53Å; F1159-L1163 HydrophobicContact CZ-CD2 4.37Å; F1159-L1163 HydrophobicContact CZ-CG 3.99Å; F1159-L1163 PolarHBondContact O-N 3.14Å; W1160-L1163 PolarHBondContact O-N 2.94Å; L1163-Y1167 HydrophobicContact CD2-CD2 4.19Å; L1163-Y1167 HydrophobicContact CD2-CE2 4Å; L1163-Y1167 WeakPolarHBondContact O-CB 3.39Å; L1163-Y1167 WeakPolarHBondContact O-CD2 3.16Å; L1163-Y1167 PolarHBondContact O-N 2.81Å; L1163-L1186 HydrophobicContact CD1-CD2 4.3Å
1164V63Low58Low43 Ų4371.3 Ų71.326%0.26136%0.364SS..Hα-helixtrans-61.9-48.5177.3172.40000110.6W1160 N1161 Q1166 C1168W1160-V1164 WeakPolarHBondContact O-CG2 3.47Å; W1160-V1164 PolarHBondContact O-N 3.03Å; N1161-V1164 PolarHBondContact O-N 3.45Å; V1164-Q1166 PolarHBondContact O-N 3.22Å; V1164-C1168 HydrophobicContact CG1-CB 4.43Å; V1164-C1168 WeakPolarHBondContact O-CA 3.46Å; V1164-C1168 WeakPolarHBondContact O-CB 3.41Å; V1164-C1168 PolarHBondContact O-N 2.89Å
1165D60.9Low56.7Low104 Ų10475.6 Ų75.656%0.55639%0.387SS*.Hα-helixtrans-61.9-45.1179.2-89.5-11.7000112.6N1161 V1169N1161-D1165 WeakPolarHBondContact O-CB 3.45Å; N1161-D1165 PolarHBondContact O-N 3.45Å; D1165-V1169 VanDerWaalsContact O-CB 3.28Å; D1165-V1169 WeakPolarHBondContact O-CB 3.49Å; D1165-V1169 VanDerWaalsContact O-CG2 3.28Å; D1165-V1169 WeakPolarHBondContact O-CG2 3.46Å
1166Q59.6Low55.5Low70 Ų7078.5 Ų78.533%0.32741%0.412SS..Hα-helixtrans-68.8-42.7-179.1-72.4-7732.900112.7Y1162 V1164Y1162-Q1166 HydrophobicContact CD2-CG 4.14Å; Y1162-Q1166 HydrophobicContact CE1-CG 4.19Å; Y1162-Q1166 HydrophobicContact CE2-CG 3.67Å; Y1162-Q1166 WeakPolarHBondContact O-CB 3.45Å; Y1162-Q1166 WeakPolarHBondContact O-CG 3.14Å; Y1162-Q1166 PolarHBondContact O-N 2.97Å; Y1162-Q1166 PolarHBondContact OH-NE2 3.38Å; V1164-Q1166 PolarHBondContact O-N 3.22Å
1167Y56.1Low54.6Low84 Ų8482.3 Ų82.333%0.32944%0.439SS..Hα-helixtrans-99.9-14-169.6-66.5-78.9000115.1I1120 L1163 L1179 F1182I1120-Y1167 HydrophobicContact CD1-CE1 3.68Å; L1163-Y1167 HydrophobicContact CD2-CD2 4.19Å; L1163-Y1167 HydrophobicContact CD2-CE2 4Å; L1163-Y1167 WeakPolarHBondContact O-CB 3.39Å; L1163-Y1167 WeakPolarHBondContact O-CD2 3.16Å; L1163-Y1167 PolarHBondContact O-N 2.81Å; Y1167-L1179 HydrophobicContact CD1-CD2 4.21Å; Y1167-F1182 HydrophobicContact CD1-CD1 4.34Å; Y1167-F1182 HydrophobicContact CD1-CE1 4.18Å; Y1167-F1182 AromaticContact CD2-CE1 3.86Å; Y1167-F1182 HydrophobicContact CD2-CE1 3.86Å; Y1167-F1182 HydrophobicContact CE1-CE1 4.47Å; Y1167-F1182 HydrophobicContact CE2-CE1 4.18Å; Y1167-F1182 HydrophobicContact CG-CD1 4.34Å; Y1167-F1182 AromaticContact CG-CE1 3.86Å; Y1167-F1182 HydrophobicContact CG-CE1 3.86Å
1168C56.9Low53.5Low55 Ų5586.7 Ų86.737%0.37246%0.457SS..Hα-helixtrans-103.9-21.5176.6-65.30000114.9V1164V1164-C1168 HydrophobicContact CG1-CB 4.43Å; V1164-C1168 WeakPolarHBondContact O-CA 3.46Å; V1164-C1168 WeakPolarHBondContact O-CB 3.41Å; V1164-C1168 PolarHBondContact O-N 2.89Å
1169V52.2Low52.8Low101 Ų10189.6 Ų89.661%0.61247%0.47SS*.SBendtrans-89.8-25.7-169.7-177.50000114.1D1165D1165-V1169 VanDerWaalsContact O-CB 3.28Å; D1165-V1169 WeakPolarHBondContact O-CB 3.49Å; D1165-V1169 VanDerWaalsContact O-CG2 3.28Å; D1165-V1169 WeakPolarHBondContact O-CG2 3.46Å
1170K44.5Very low52.1Low160 Ų16093.3 Ų93.370%0.69649%0.49SS*.  trans-100.998.3-173.4-70.6170.8-175.1157.50113.3
1171Q38.7Very low51.6Low171 Ų17198.1 Ų98.180%0.79952%0.516SS*.  trans-91.9115.8169.9-70.6-170.130.600113.1
1172T39.9Very low50.9Low123 Ų12398.5 Ų98.576%0.75552%0.517SS*.  trans-135145151.341.30000109.8S1174T1172-S1174 PolarHBondContact O-N 3.06Å
1173K39.4Very low50.2Low206 Ų206100.7 Ų100.790%0.89653%0.525SS*.  trans-93.994.3-158.8-63.7173.5-179.81730114.2
1174S38.3Very low50Low103 Ų103103.2 Ų103.272%0.7254%0.538SS*.SBendtrans-162.4148.1158.244.80000113T1172T1172-S1174 PolarHBondContact O-N 3.06Å
1175N39Very low50Low154 Ų154104.6 Ų104.682%0.82454%0.541SS*.  trans4786.3171.2-66.5-4.8000117.8
1176S45.8Very low50Low96 Ų96100 Ų10067%0.67152%0.517SS*.  trans-111.656.3-167.161.50000115L1180S1176-L1180 WeakPolarHBondContact O-CB 3.49Å
1177S49.3Very low50.2Low80 Ų80100.1 Ų100.156%0.55952%0.518SS*.SBendtrans-116.5-63.7173.559.40000112.8L1179 L1180 N1181S1177-L1179 PolarHBondContact O-N 3.07Å; S1177-L1180 CarbonylContact O-C 3.56Å; S1177-L1180 WeakPolarHBondContact O-CA 3.42Å; S1177-L1180 WeakPolarHBondContact O-CB 3.45Å; S1177-L1180 PolarHBondContact O-N 3.01Å; S1177-N1181 PolarHBondContact O-N 2.89Å
1178K44.5Very low50.6Low129 Ų129101.7 Ų101.756%0.56153%0.533SS*.Hα-helixtrans-60.3-45.9178.9-68.8-171177.3-173.90112.5I1117 L1180 N1181 F1182I1117-K1178 HydrophobicContact CG2-CB 4.27Å; K1178-L1180 VanDerWaalsContact C-N 3.26Å; K1178-L1180 PolarHBondContact O-N 3.42Å; K1178-N1181 PolarHBondContact O-N 3Å; K1178-F1182 PolarHBondContact O-N 3.21Å
1179L51.3Low50.9Low68 Ų6899.6 Ų99.636%0.35652%0.518SS..Hα-helixtrans-64.9-27.4172.3-83.5170.7000113.1I1117 Y1167 S1177 R1183I1117-L1179 HydrophobicContact CD1-CD1 3.79Å; I1117-L1179 HydrophobicContact CD1-CG 3.92Å; I1117-L1179 HydrophobicContact CG1-CD2 4.44Å; I1117-L1179 HydrophobicContact CG1-CG 4.34Å; Y1167-L1179 HydrophobicContact CD1-CD2 4.21Å; S1177-L1179 PolarHBondContact O-N 3.07Å; L1179-R1183 WeakPolarHBondContact O-CB 3.44Å; L1179-R1183 PolarHBondContact O-N 3.44Å
1180L52.4Low51.4Low84 Ų8497.9 Ų97.944%0.4450%0.503SS..Hα-helixtrans-73.8-38.3174.3-166.572.4000110.8S1176 S1177 K1178 R1183 N1184S1176-L1180 WeakPolarHBondContact O-CB 3.49Å; S1177-L1180 CarbonylContact O-C 3.56Å; S1177-L1180 WeakPolarHBondContact O-CA 3.42Å; S1177-L1180 WeakPolarHBondContact O-CB 3.45Å; S1177-L1180 PolarHBondContact O-N 3.01Å; K1178-L1180 VanDerWaalsContact C-N 3.26Å; K1178-L1180 PolarHBondContact O-N 3.42Å; L1180-R1183 PolarHBondContact O-N 2.8Å; L1180-N1184 VanDerWaalsContact O-CB 3.26Å; L1180-N1184 WeakPolarHBondContact O-CB 3.29Å; L1180-N1184 PolarHBondContact O-N 3.47Å; L1180-N1184 PolarHBondContact O-ND2 3.07Å; L1180-N1184 PolarHBondContact O-OD1 3.2Å
1181N56.2Low52.4Low112 Ų11293 Ų9360%0.59949%0.488SS*.Hα-helixtrans-63-46.2172.7-72.15.5000111.5S1177 K1178 N1184 F1185S1177-N1181 PolarHBondContact O-N 2.89Å; K1178-N1181 PolarHBondContact O-N 3Å; N1181-N1184 PolarHBondContact O-N 3.15Å; N1181-F1185 WeakPolarHBondContact O-CB 3.47Å; N1181-F1185 PolarHBondContact O-N 2.88Å
1182F50.4Low53.6Low29 Ų2987.2 Ų87.213%0.12746%0.461CS..Hα-helixtrans-66-39.3176.5-174.9-117.9000112.2I1120 Y1167 K1178 N1184 F1185 L1186I1120-F1182 HydrophobicContact CD1-CD1 4.09Å; I1120-F1182 HydrophobicContact CD1-CE1 4.03Å; I1120-F1182 HydrophobicContact CD1-CZ 4.44Å; I1120-F1182 HydrophobicContact CG2-CD2 3.81Å; I1120-F1182 HydrophobicContact CG2-CE1 4.38Å; I1120-F1182 HydrophobicContact CG2-CE2 3.49Å; I1120-F1182 VanDerWaalsContact CG2-CE2 3.49Å; I1120-F1182 HydrophobicContact CG2-CG 4.39Å; I1120-F1182 HydrophobicContact CG2-CZ 3.81Å; Y1167-F1182 HydrophobicContact CD1-CD1 4.34Å; Y1167-F1182 HydrophobicContact CD1-CE1 4.18Å; Y1167-F1182 AromaticContact CD2-CE1 3.86Å; Y1167-F1182 HydrophobicContact CD2-CE1 3.86Å; Y1167-F1182 HydrophobicContact CE1-CE1 4.47Å; Y1167-F1182 HydrophobicContact CE2-CE1 4.18Å; Y1167-F1182 HydrophobicContact CG-CD1 4.34Å; Y1167-F1182 AromaticContact CG-CE1 3.86Å; Y1167-F1182 HydrophobicContact CG-CE1 3.86Å; K1178-F1182 PolarHBondContact O-N 3.21Å; F1182-N1184 PolarHBondContact O-N 3.06Å; F1182-F1185 HydrophobicContact CD2-CD1 4.3Å; F1182-F1185 HydrophobicContact CE2-CD1 4.29Å; F1182-F1185 WeakPolarHBondContact O-CB 3.4Å; F1182-F1185 PolarHBondContact O-N 2.94Å; F1182-L1186 HydrophobicContact CD1-CD1 4.11Å; F1182-L1186 HydrophobicContact CE1-CD1 3.59Å; F1182-L1186 HydrophobicContact CE1-CG 4.17Å; F1182-L1186 HydrophobicContact CE2-CD2 4.35Å; F1182-L1186 HydrophobicContact CE2-CG 4.26Å; F1182-L1186 HydrophobicContact CZ-CD1 3.82Å; F1182-L1186 HydrophobicContact CZ-CD2 4.12Å; F1182-L1186 HydrophobicContact CZ-CG 4.01Å; F1182-L1186 WeakPolarHBondContact O-CG 3.43Å; F1182-L1186 PolarHBondContact O-N 3.15Å
1183R51.5Low54.8Low126 Ų12681.7 Ų81.748%0.47543%0.426SS..Hα-helixtrans-65-37.9172.8-172.6176.5-179.3-162.8-2.2112.2L1179 L1180 L1186 I1187L1179-R1183 WeakPolarHBondContact O-CB 3.44Å; L1179-R1183 PolarHBondContact O-N 3.44Å; L1180-R1183 PolarHBondContact O-N 2.8Å; R1183-L1186 PolarHBondContact O-N 3.25Å; R1183-I1187 HydrophobicContact CG-CD1 3.77Å; R1183-I1187 HydrophobicContact CG-CG1 4.34Å; R1183-I1187 VanDerWaalsContact O-CB 3.29Å; R1183-I1187 WeakPolarHBondContact O-CB 3.23Å; R1183-I1187 VanDerWaalsContact O-CG1 3.23Å; R1183-I1187 WeakPolarHBondContact O-CG1 3.36Å; R1183-I1187 PolarHBondContact O-N 3.01Å
1184N60.8Low55.9Low69 Ų6975.6 Ų75.637%0.36940%0.401SS..Hα-helixtrans-67-37.7173.8-69.5-13.7000111.2L1180 N1181 F1182 I1187 N1188L1180-N1184 VanDerWaalsContact O-CB 3.26Å; L1180-N1184 WeakPolarHBondContact O-CB 3.29Å; L1180-N1184 PolarHBondContact O-N 3.47Å; L1180-N1184 PolarHBondContact O-ND2 3.07Å; L1180-N1184 PolarHBondContact O-OD1 3.2Å; N1181-N1184 PolarHBondContact O-N 3.15Å; F1182-N1184 PolarHBondContact O-N 3.06Å; N1184-I1187 PolarHBondContact O-N 3.3Å; N1184-N1188 WeakPolarHBondContact O-CB 3.35Å; N1184-N1188 PolarHBondContact O-N 3.02Å; N1184-N1188 PolarHBondContact O-ND2 3.44Å; N1184-N1188 PolarHBondContact O-OD1 3.1Å
1185F62.6Low57.1Low72 Ų7275.2 Ų75.232%0.31639%0.387SS..Hα-helixtrans-61.7-49.9173.5180-102.5000111L1127 N1181 F1182 I1187 N1188 L1189L1127-F1185 HydrophobicContact CD1-CE1 4.38Å; N1181-F1185 WeakPolarHBondContact O-CB 3.47Å; N1181-F1185 PolarHBondContact O-N 2.88Å; F1182-F1185 HydrophobicContact CD2-CD1 4.3Å; F1182-F1185 HydrophobicContact CE2-CD1 4.29Å; F1182-F1185 WeakPolarHBondContact O-CB 3.4Å; F1182-F1185 PolarHBondContact O-N 2.94Å; F1185-I1187 PolarHBondContact O-N 3.2Å; F1185-N1188 PolarHBondContact O-N 3.09Å; F1185-L1189 HydrophobicContact CD1-CD1 3.75Å; F1185-L1189 HydrophobicContact CD2-CD1 4.26Å; F1185-L1189 HydrophobicContact CE1-CD1 3.43Å; F1185-L1189 VanDerWaalsContact CE1-CD1 3.43Å; F1185-L1189 HydrophobicContact CE2-CD1 3.98Å; F1185-L1189 HydrophobicContact CG-CD1 4.16Å; F1185-L1189 HydrophobicContact CZ-CD1 3.57Å; F1185-L1189 WeakPolarHBondContact O-CB 3.25Å; F1185-L1189 WeakPolarHBondContact O-CG 3.36Å; F1185-L1189 PolarHBondContact O-N 3.33Å
1186L60.6Low58.3Low9 Ų968.4 Ų68.45%0.04735%0.35CS..Hα-helixtrans-62.3-41.2174.8-67.9-179.5000112.8W1160 L1163 F1182 R1183 L1189 E1190W1160-L1186 HydrophobicContact CH2-CB 4.49Å; W1160-L1186 HydrophobicContact CH2-CD2 3.53Å; W1160-L1186 HydrophobicContact CZ2-CD2 4.23Å; W1160-L1186 HydrophobicContact CZ3-CD2 3.77Å; L1163-L1186 HydrophobicContact CD1-CD2 4.3Å; F1182-L1186 HydrophobicContact CD1-CD1 4.11Å; F1182-L1186 HydrophobicContact CE1-CD1 3.59Å; F1182-L1186 HydrophobicContact CE1-CG 4.17Å; F1182-L1186 HydrophobicContact CE2-CD2 4.35Å; F1182-L1186 HydrophobicContact CE2-CG 4.26Å; F1182-L1186 HydrophobicContact CZ-CD1 3.82Å; F1182-L1186 HydrophobicContact CZ-CD2 4.12Å; F1182-L1186 HydrophobicContact CZ-CG 4.01Å; F1182-L1186 WeakPolarHBondContact O-CG 3.43Å; F1182-L1186 PolarHBondContact O-N 3.15Å; R1183-L1186 PolarHBondContact O-N 3.25Å; L1186-L1189 CarbonylContact O-C 3.59Å; L1186-L1189 PolarHBondContact O-N 2.82Å; L1186-E1190 WeakPolarHBondContact O-CB 3.38Å; L1186-E1190 PolarHBondContact O-N 2.7Å
1187I62.7Low58.9Low71 Ų7164.4 Ų64.436%0.36432%0.321SS..Hα-helixtrans-70.2-33.9177.5-73172.8000112.2R1183 N1184 F1185 P1191R1183-I1187 HydrophobicContact CG-CD1 3.77Å; R1183-I1187 HydrophobicContact CG-CG1 4.34Å; R1183-I1187 VanDerWaalsContact O-CB 3.29Å; R1183-I1187 WeakPolarHBondContact O-CB 3.23Å; R1183-I1187 VanDerWaalsContact O-CG1 3.23Å; R1183-I1187 WeakPolarHBondContact O-CG1 3.36Å; R1183-I1187 PolarHBondContact O-N 3.01Å; N1184-I1187 PolarHBondContact O-N 3.3Å; F1185-I1187 PolarHBondContact O-N 3.2Å; I1187-P1191 WeakPolarHBondContact O-CD 3.33Å
1188N65.3Low59.5Low118 Ų11865.8 Ų65.863%0.63132%0.32SS*.Hα-helixtrans-71.8-32.9175.1-71.5-11.6000111.5N1184 F1185 P1191N1184-N1188 WeakPolarHBondContact O-CB 3.35Å; N1184-N1188 PolarHBondContact O-N 3.02Å; N1184-N1188 PolarHBondContact O-ND2 3.44Å; N1184-N1188 PolarHBondContact O-OD1 3.1Å; F1185-N1188 PolarHBondContact O-N 3.09Å; N1188-P1191 WeakPolarHBondContact O-CD 2.89Å; N1188-P1191 WeakPolarHBondContact O-CG 3.35Å
1189L62.8Low60.2Low11 Ų1165.4 Ų65.46%0.05832%0.315CS..Hα-helixtrans-80.5-26.7173.8-75.1167.7000112.9F1131 Y1136 W1160 F1185 L1186 E1192 F1193F1131-L1189 HydrophobicContact CE1-CD2 4.32Å; F1131-L1189 HydrophobicContact CE2-CD1 3.7Å; F1131-L1189 HydrophobicContact CE2-CD2 4.19Å; F1131-L1189 HydrophobicContact CZ-CD1 3.91Å; F1131-L1189 HydrophobicContact CZ-CD2 4.06Å; F1131-L1189 HydrophobicContact CZ-CG 4.4Å; Y1136-L1189 HydrophobicContact CE1-CD2 4.43Å; W1160-L1189 HydrophobicContact CH2-CB 3.66Å; W1160-L1189 HydrophobicContact CH2-CD1 4.33Å; W1160-L1189 HydrophobicContact CZ2-CB 4.32Å; F1185-L1189 HydrophobicContact CD1-CD1 3.75Å; F1185-L1189 HydrophobicContact CD2-CD1 4.26Å; F1185-L1189 HydrophobicContact CE1-CD1 3.43Å; F1185-L1189 VanDerWaalsContact CE1-CD1 3.43Å; F1185-L1189 HydrophobicContact CE2-CD1 3.98Å; F1185-L1189 HydrophobicContact CG-CD1 4.16Å; F1185-L1189 HydrophobicContact CZ-CD1 3.57Å; F1185-L1189 WeakPolarHBondContact O-CB 3.25Å; F1185-L1189 WeakPolarHBondContact O-CG 3.36Å; F1185-L1189 PolarHBondContact O-N 3.33Å; L1186-L1189 CarbonylContact O-C 3.59Å; L1186-L1189 PolarHBondContact O-N 2.82Å; L1189-E1192 CarbonylContact O-C 3.58Å; L1189-E1192 PolarHBondContact O-N 2.99Å; L1189-F1193 VanDerWaalsContact O-CB 3.31Å; L1189-F1193 WeakPolarHBondContact O-CB 3.34Å; L1189-F1193 PolarHBondContact O-N 3.31Å
1190E63.7Low60.4Low64 Ų6465 Ų6530%0.29932%0.315SS..Hα-helixtrans-49.9-48179.2-171.4-179.9173.600114L1186 F1193 Q1194L1186-E1190 WeakPolarHBondContact O-CB 3.38Å; L1186-E1190 PolarHBondContact O-N 2.7Å; E1190-F1193 PolarHBondContact O-N 3.06Å; E1190-Q1194 WeakPolarHBondContact O-CB 3.28Å; E1190-Q1194 VanDerWaalsContact O-CG 3.26Å; E1190-Q1194 WeakPolarHBondContact O-CG 3.46Å; E1190-Q1194 PolarHBondContact O-N 2.69Å; E1190-Q1194 PolarHBondContact OE1-NE2 2.96Å
1191P64.7Low60.5Low59 Ų5964.5 Ų64.538%0.38331%0.312SS..Hα-helixtrans-68.2-32.1176.427-35.5000113.4I1187 N1188 K1195I1187-P1191 WeakPolarHBondContact O-CD 3.33Å; N1188-P1191 WeakPolarHBondContact O-CD 2.89Å; N1188-P1191 WeakPolarHBondContact O-CG 3.35Å; P1191-K1195 WeakPolarHBondContact O-CD 3.34Å; P1191-K1195 VanDerWaalsContact O-CG 3.29Å; P1191-K1195 WeakPolarHBondContact O-CG 3.47Å; P1191-K1195 PolarHBondContact O-N 2.71Å
1192E63.3Low60.1Low48 Ų4862.4 Ų62.422%0.22430%0.301CS..Hα-helixtrans-74.2-37.5175.6-58.5-4913100111.6Y1136 L1189 K1195 I1196Y1136-E1192 HydrophobicContact CD2-CB 4.5Å; Y1136-E1192 HydrophobicContact CE2-CB 4.4Å; Y1136-E1192 HydrophobicContact CE2-CG 4.01Å; L1189-E1192 CarbonylContact O-C 3.58Å; L1189-E1192 PolarHBondContact O-N 2.99Å; E1192-K1195 WeakPolarHBondContact O-CB 3.48Å; E1192-K1195 PolarHBondContact O-N 2.96Å; E1192-K1195 IonicContact OE1-NZ 3.88Å; E1192-K1195 PolarHBondContact OE1-NZ 2.71Å; E1192-K1195 WeakPolarHBondContact OE2-CD 3.43Å; E1192-K1195 IonicContact OE2-NZ 3.1Å; E1192-K1195 PolarHBondContact OE2-NZ 2.9Å; E1192-I1196 WeakPolarHBondContact O-CB 3.3Å; E1192-I1196 VanDerWaalsContact O-CG1 3.25Å; E1192-I1196 WeakPolarHBondContact O-CG1 3.42Å; E1192-I1196 PolarHBondContact O-N 2.84Å
1193F65.3Low59.8Low7 Ų766.2 Ų66.23%0.03133%0.329CS..Hα-helixtrans-64.9-42.1171.6-177.9-97.2000111.5F1156 I1157 W1160 L1189 E1190 I1196 I1197F1156-F1193 HydrophobicContact CD1-CD2 4.38Å; F1156-F1193 AromaticContact CD1-CE2 3.75Å; F1156-F1193 HydrophobicContact CD1-CE2 3.75Å; F1156-F1193 AromaticContact CE1-CD2 3.9Å; F1156-F1193 HydrophobicContact CE1-CD2 3.9Å; F1156-F1193 AromaticContact CE1-CE2 3.71Å; F1156-F1193 HydrophobicContact CE1-CE2 3.71Å; I1157-F1193 HydrophobicContact CG1-CZ 4.28Å; W1160-F1193 HydrophobicContact CB-CD2 4.43Å; W1160-F1193 HydrophobicContact CB-CE1 3.76Å; W1160-F1193 HydrophobicContact CB-CE2 3.63Å; W1160-F1193 HydrophobicContact CB-CZ 3.24Å; W1160-F1193 AromaticContact CD1-CD1 3.42Å; W1160-F1193 VanDerWaalsContact CD1-CD1 3.42Å; W1160-F1193 AromaticContact CD1-CE1 3.12Å; W1160-F1193 AromaticContact CD1-CZ 3.62Å; W1160-F1193 HydrophobicContact CD2-CD1 4.01Å; W1160-F1193 AromaticContact CD2-CD2 3.89Å; W1160-F1193 HydrophobicContact CD2-CD2 3.89Å; W1160-F1193 HydrophobicContact CD2-CE1 4.09Å; W1160-F1193 AromaticContact CD2-CE2 3.99Å; W1160-F1193 HydrophobicContact CD2-CE2 3.99Å; W1160-F1193 AromaticContact CD2-CG 3.91Å; W1160-F1193 HydrophobicContact CD2-CG 3.91Å; W1160-F1193 HydrophobicContact CD2-CZ 4.09Å; W1160-F1193 AromaticContact CE2-CD1 3.84Å; W1160-F1193 AromaticContact CE2-CG 3.87Å; W1160-F1193 HydrophobicContact CE3-CD2 4.17Å; W1160-F1193 HydrophobicContact CE3-CE2 4.37Å; W1160-F1193 AromaticContact CG-CD1 3.75Å; W1160-F1193 HydrophobicContact CG-CD1 3.75Å; W1160-F1193 HydrophobicContact CG-CD2 4.02Å; W1160-F1193 AromaticContact CG-CE1 3.35Å; W1160-F1193 HydrophobicContact CG-CE1 3.35Å; W1160-F1193 AromaticContact CG-CE2 3.67Å; W1160-F1193 HydrophobicContact CG-CE2 3.67Å; W1160-F1193 HydrophobicContact CG-CG 4.06Å; W1160-F1193 AromaticContact CG-CZ 3.32Å; W1160-F1193 HydrophobicContact CG-CZ 3.32Å; W1160-F1193 HydrophobicContact CZ2-CB 4.33Å; W1160-F1193 HydrophobicContact CZ2-CG 4.42Å; W1160-F1193 AromaticContact NE1-CD1 3.44Å; W1160-F1193 AromaticContact NE1-CE1 3.69Å; W1160-F1193 AromaticContact NE1-CG 3.96Å; L1189-F1193 VanDerWaalsContact O-CB 3.31Å; L1189-F1193 WeakPolarHBondContact O-CB 3.34Å; L1189-F1193 PolarHBondContact O-N 3.31Å; E1190-F1193 PolarHBondContact O-N 3.06Å; F1193-I1196 PolarHBondContact O-N 2.84Å; F1193-I1197 HydrophobicContact CD1-CD1 3.91Å; F1193-I1197 HydrophobicContact CE1-CD1 3.25Å; F1193-I1197 HydrophobicContact CE1-CG1 4.11Å; F1193-I1197 HydrophobicContact CZ-CD1 3.63Å; F1193-I1197 HydrophobicContact CZ-CG1 4.22Å; F1193-I1197 WeakPolarHBondContact O-CG1 3.28Å; F1193-I1197 PolarHBondContact O-N 3.49Å
1194Q62.3Low59.1Low79 Ų7967 Ų6737%0.36934%0.342SS..Hα-helixtrans-62.1-40.6170.6-74.7179.821.700111.7E1190 I1197 M1198E1190-Q1194 WeakPolarHBondContact O-CB 3.28Å; E1190-Q1194 VanDerWaalsContact O-CG 3.26Å; E1190-Q1194 WeakPolarHBondContact O-CG 3.46Å; E1190-Q1194 PolarHBondContact O-N 2.69Å; E1190-Q1194 PolarHBondContact OE1-NE2 2.96Å; Q1194-I1197 PolarHBondContact O-N 3.19Å; Q1194-M1198 VanDerWaalsContact O-CB 3.29Å; Q1194-M1198 WeakPolarHBondContact O-CB 3.37Å; Q1194-M1198 WeakPolarHBondContact O-CG 3.44Å; Q1194-M1198 PolarHBondContact O-N 3.13Å
1195K65.2Low58Low95 Ų9567.4 Ų67.441%0.41335%0.348SS..Hα-helixtrans-61.6-44.6171.8-76.8159.5166.7178.10112.1P1191 E1192 M1198 R1199P1191-K1195 WeakPolarHBondContact O-CD 3.34Å; P1191-K1195 VanDerWaalsContact O-CG 3.29Å; P1191-K1195 WeakPolarHBondContact O-CG 3.47Å; P1191-K1195 PolarHBondContact O-N 2.71Å; E1192-K1195 WeakPolarHBondContact O-CB 3.48Å; E1192-K1195 PolarHBondContact O-N 2.96Å; E1192-K1195 IonicContact OE1-NZ 3.88Å; E1192-K1195 PolarHBondContact OE1-NZ 2.71Å; E1192-K1195 WeakPolarHBondContact OE2-CD 3.43Å; E1192-K1195 IonicContact OE2-NZ 3.1Å; E1192-K1195 PolarHBondContact OE2-NZ 2.9Å; K1195-M1198 PolarHBondContact O-N 3.07Å; K1195-R1199 WeakPolarHBondContact O-CB 3.27Å; K1195-R1199 VanDerWaalsContact O-CG 3.26Å; K1195-R1199 WeakPolarHBondContact O-CG 3.4Å; K1195-R1199 PolarHBondContact O-N 2.91Å
1196I62.6Low56.8Low11 Ų1173 Ų736%0.05638%0.375CS..Hα-helixtrans-60.8-46.2177.8-72.8162.4000110.5C1134 M1153 E1192 F1193 T1200C1134-I1196 HydrophobicContact CB-CD1 4.27Å; M1153-I1196 HydrophobicContact CE-CG2 3.95Å; E1192-I1196 WeakPolarHBondContact O-CB 3.3Å; E1192-I1196 VanDerWaalsContact O-CG1 3.25Å; E1192-I1196 WeakPolarHBondContact O-CG1 3.42Å; E1192-I1196 PolarHBondContact O-N 2.84Å; F1193-I1196 PolarHBondContact O-N 2.84Å; I1196-T1200 PolarHBondContact O-N 3.3Å; I1196-T1200 PolarHBondContact O-OG1 3.09Å
1197I60.1Low55.4Low11 Ų1183.4 Ų83.46%0.05641%0.413CS..Hα-helixtrans-60.5-47.9172.8-74.9-177.1000111.6L1091 I1157 F1193 Q1194 R1199 T1200 L1201L1091-I1197 HydrophobicContact CD1-CG2 4.1Å; L1091-I1197 HydrophobicContact CD2-CG2 4.42Å; I1157-I1197 HydrophobicContact CD1-CD1 4.31Å; I1157-I1197 HydrophobicContact CD1-CG1 4.2Å; I1157-I1197 HydrophobicContact CG1-CD1 3.96Å; I1157-I1197 HydrophobicContact CG1-CG1 4.14Å; F1193-I1197 HydrophobicContact CD1-CD1 3.91Å; F1193-I1197 HydrophobicContact CE1-CD1 3.25Å; F1193-I1197 HydrophobicContact CE1-CG1 4.11Å; F1193-I1197 HydrophobicContact CZ-CD1 3.63Å; F1193-I1197 HydrophobicContact CZ-CG1 4.22Å; F1193-I1197 WeakPolarHBondContact O-CG1 3.28Å; F1193-I1197 PolarHBondContact O-N 3.49Å; Q1194-I1197 PolarHBondContact O-N 3.19Å; I1197-R1199 VanDerWaalsContact C-N 3.35Å; I1197-R1199 PolarHBondContact O-N 3.09Å; I1197-T1200 PolarHBondContact O-N 2.52Å; I1197-T1200 PolarHBondContact O-OG1 3.47Å; I1197-L1201 HydrophobicContact CG2-CD1 3.6Å; I1197-L1201 HydrophobicContact CG2-CG 4.22Å; I1197-L1201 WeakPolarHBondContact O-CB 3.12Å; I1197-L1201 WeakPolarHBondContact O-CG 3.22Å; I1197-L1201 PolarHBondContact O-N 2.92Å
1198M60.9Low54Low109 Ų10987.7 Ų87.754%0.53744%0.436SS..Hα-helixtrans-68.2-33-176.5-73.6-66-66.800112.7Q1194 K1195 N1202Q1194-M1198 VanDerWaalsContact O-CB 3.29Å; Q1194-M1198 WeakPolarHBondContact O-CB 3.37Å; Q1194-M1198 WeakPolarHBondContact O-CG 3.44Å; Q1194-M1198 PolarHBondContact O-N 3.13Å; K1195-M1198 PolarHBondContact O-N 3.07Å; M1198-N1202 PolarHBondContact O-N 3.46Å
1199R59.2Low52.2Low122 Ų12285.5 Ų85.546%0.4644%0.435SS..Hα-helixtrans-67.9-48.4171.9-72.7173-176.3140-4.5111.1E1143 K1195 I1197E1143-R1199 IonicContact OE1-CZ 2.69Å; E1143-R1199 IonicContact OE1-NE 2.68Å; E1143-R1199 IonicContact OE1-NH2 3.68Å; E1143-R1199 PolarHBondContact OE1-NH2 3.15Å; K1195-R1199 WeakPolarHBondContact O-CB 3.27Å; K1195-R1199 VanDerWaalsContact O-CG 3.26Å; K1195-R1199 WeakPolarHBondContact O-CG 3.4Å; K1195-R1199 PolarHBondContact O-N 2.91Å; I1197-R1199 VanDerWaalsContact C-N 3.35Å; I1197-R1199 PolarHBondContact O-N 3.09Å
1200T55.9Low50.7Low59 Ų5992.6 Ų92.636%0.36247%0.473SS..Hα-helixtrans-71.8-32-177.647.50000114M1153 I1196 I1197M1153-T1200 HydrophobicContact CE-CG2 3.96Å; M1153-T1200 HydrophobicContact SD-CG2 4.3Å; I1196-T1200 PolarHBondContact O-N 3.3Å; I1196-T1200 PolarHBondContact O-OG1 3.09Å; I1197-T1200 PolarHBondContact O-N 2.52Å; I1197-T1200 PolarHBondContact O-OG1 3.47Å
1201L54.6Low49.1Very low73 Ų7397.6 Ų97.638%0.38250%0.5SS..Hα-helixtrans-82-13.1177.2-69.9-179.4000114.5L1088 L1091 I1197L1088-L1201 HydrophobicContact CD2-CD1 4.37Å; L1091-L1201 HydrophobicContact CD1-CD1 4.47Å; I1197-L1201 HydrophobicContact CG2-CD1 3.6Å; I1197-L1201 HydrophobicContact CG2-CG 4.22Å; I1197-L1201 WeakPolarHBondContact O-CB 3.12Å; I1197-L1201 WeakPolarHBondContact O-CG 3.22Å; I1197-L1201 PolarHBondContact O-N 2.92Å
1202N47.9Very low47.4Very low68 Ų68101.5 Ų101.536%0.36452%0.518SS..  trans-146.570.1-172.6-160.82.7000114.9M1198 N1204 T1205M1198-N1202 PolarHBondContact O-N 3.46Å; N1202-N1204 PolarHBondContact O-N 3.29Å; N1202-T1205 WeakPolarHBondContact ND2-CG2 3.25Å; N1202-T1205 PolarHBondContact ND2-OG1 3.37Å; N1202-T1205 VanDerWaalsContact ND2-OG1 3.15Å; N1202-T1205 PolarHBondContact O-OG1 3.35Å; N1202-T1205 PolarHBondContact OD1-OG1 3.48Å
1203P44Very low45.8Very low109 Ų109105.2 Ų105.271%0.70855%0.546SS*.THydrogen-bonded Turntrans-69.50.3-177.428.3-36.5000115.5
1204N36.9Very low44.1Very low142 Ų142111.1 Ų111.176%0.75958%0.578SS**THydrogen-bonded Turntrans-109.60.4-170.5-76.1-65.8000115.2N1202N1202-N1204 PolarHBondContact O-N 3.29Å
1205T37.8Very low42.5Very low78 Ų78113.5 Ų113.548%0.47959%0.589SS.*  trans-87.8-4.9-168.515.70000117.6N1202 R1207 L1208N1202-T1205 WeakPolarHBondContact ND2-CG2 3.25Å; N1202-T1205 PolarHBondContact ND2-OG1 3.37Å; N1202-T1205 VanDerWaalsContact ND2-OG1 3.15Å; N1202-T1205 PolarHBondContact O-OG1 3.35Å; N1202-T1205 PolarHBondContact OD1-OG1 3.48Å; T1205-R1207 PolarHBondContact O-N 3.47Å; T1205-L1208 PolarHBondContact O-N 3.38Å
1206Q36Very low40.9Very low190 Ų190116.8 Ų116.889%0.88860%0.604SS**THydrogen-bonded Turntrans-70.729.5178.4-76.3-175.8-24.100115
1207R32.5Very low39.4Very low227 Ų227123.3 Ų123.386%0.85764%0.639SS**THydrogen-bonded Turntrans-133.513.8174-73.6-166173.7-165.2-0.7115.3T1205 A1209T1205-R1207 PolarHBondContact O-N 3.47Å; R1207-A1209 WeakPolarHBondContact O-CB 3.41Å
1208L31.8Very low38.2Very low162 Ų162129.5 Ų129.585%0.84868%0.677SS**  trans-115.983.8153.2-83.776.7000106T1205T1205-L1208 PolarHBondContact O-N 3.38Å
1209A29.3Very low37.1Very low72 Ų72129.8 Ų129.860%0.59569%0.69SS**  66.898.351.500000113R1207 L1211R1207-A1209 WeakPolarHBondContact O-CB 3.41Å; A1209-L1211 PolarHBondContact O-N 2.87Å
1210D29.9Very low36.1Very low160 Ų160135.1 Ų135.186%0.85671%0.71SS**  trans13.688.7149.5-49.4-32.2000117.2
1211L31.2Very low35.4Very low168 Ų168143.2 Ų143.288%0.8873%0.734SS**  trans-130.773.8158.1-78.5179.6000110.4A1209A1209-L1211 PolarHBondContact O-N 2.87Å
1212D28.9Very low34.8Very low141 Ų141148.8 Ų148.875%0.75476%0.755SS**  trans-59126168-167.916.3000110.9
1213P29Very low34.2Very low126 Ų126150 Ų15082%0.81877%0.769SS**  trans-103.638.5-166.740.5-37.5000114.8
1214D30Very low33.7Very low131 Ų131152.3 Ų152.370%0.70177%0.774SS**  trans-86.7144.7-167.9-141-0.6000116.2
1215E28.1Very low33.3Very low129 Ų129149.8 Ų149.860%0.60377%0.765SS**  trans60.884.2164.1-56.9-117.6117.600122.9
1216K32.2Very low32.8Very low165 Ų165158 Ų15872%0.71779%0.787SS**  69.5121.9118.1-67.2160-175.2166.60123.6
1217N31.3Very low32.1Very low147 Ų147157.3 Ų157.379%0.78678%0.782SS**  trans108142.8133.3-73.5-42.5000123.9
1218T35.5Very low31.9Very low141 Ų141151.2 Ų151.287%0.86577%0.769SS**  trans80.2151.1168.780.30000117.2
1219S37.8Very low31.8Very low116 Ų116149.3 Ų149.381%0.81177%0.767SS**  cis-145.7176.414-162.10000115.6
1220R37.7Very low31.8Very low233 Ų233154.7 Ų154.788%0.87978%0.777SS**  trans-75.8152.1-163.4-62.2162157.1173.3-6.3117.4
1221R40.7Very low32Very low229 Ų229151.9 Ų151.986%0.86477%0.77SS**  -166.9117110.9-110-178.3-174.1-158.94.1115.8
1222K41.7Very low32.2Very low190 Ų190151.2 Ų151.283%0.82676%0.762SS**  trans49136.9145.3-64.9-176.7179.7-174.70119.7
1223S36.4Very low32.9Very low94 Ų94150 Ų15066%0.65776%0.762SS**  cis-156.713214.952.20000115.6
1224I33.6Very low32.9Very low158 Ų158147.8 Ų147.881%0.8175%0.746SS**  63.9139.1126.2-59.7171.6000118.2
1225P27.4Very low33.1Very low88 Ų88150.7 Ų150.757%0.57175%0.753SS**  cis-130.8-173.7440.4-24000115.6K1227P1225-K1227 HydrophobicContact CG-CB 4.01Å; P1225-K1227 HydrophobicContact CG-CD 4.34Å; P1225-K1227 HydrophobicContact CG-CG 3.94Å; P1225-K1227 PolarHBondContact O-N 3.26Å
1226R28.3Very low33.2Very low250 Ų250154 Ų15494%0.94376%0.76SS**  trans-61.3103.5143.7-82.7174.7161.2170.1-6.8110.4
1227K21.7Very low33.2Very low177 Ų177153 Ų15377%0.7776%0.761SS**  trans-153.8132.8159.8-85.3-165.7-177.1-179.80106.5P1225P1225-K1227 HydrophobicContact CG-CB 4.01Å; P1225-K1227 HydrophobicContact CG-CD 4.34Å; P1225-K1227 HydrophobicContact CG-CG 3.94Å; P1225-K1227 PolarHBondContact O-N 3.26Å
1228T27.1Very low33.2Very low98 Ų98149.4 Ų149.460%0.60175%0.748SS**  cis54.7118.430.568.80000114.4K1230T1228-K1230 HydrophobicContact CG2-CG 4.31Å
1229P30.4Very low33.3Very low122 Ų122152.9 Ų152.979%0.79275%0.745SS**  -82.815258.326-35.7000115.1
1230K28.8Very low33.1Very low186 Ų186154.4 Ų154.481%0.80974%0.743SS**  cis63.552.723.3-65.5-165.8171.7-167.40115.9T1228T1228-K1230 HydrophobicContact CG2-CG 4.31Å
1231S33.4Very low32.7Very low101 Ų101147.6 Ų147.671%0.70673%0.731SS**  -138132121.856.80000105.7
1232E37Very low32.2Very low153 Ų153145.4 Ų145.472%0.71573%0.728SS**  58.2144.552.8-64.8-150.788.500113.4T1234E1232-T1234 PolarHBondContact OE1-OG1 3.42Å
1233P42Very low31.8Very low117 Ų117145.8 Ų145.876%0.7673%0.73SS**  cis-82.9158.6-1.4-9.830000112.2
1234T29.7Very low31.6Very low79 Ų79148.2 Ų148.249%0.48574%0.735SS.*  cis64.856.437.1-430000113E1232E1232-T1234 PolarHBondContact OE1-OG1 3.42Å
1235K33.8Very low31.2Very low192 Ų192144.6 Ų144.684%0.83573%0.728SS**  -142102.6123.5-90.9120.5-167.9-176.90109.3
1236R31Very low31.1Very low199 Ų199145.4 Ų145.475%0.75174%0.736SS**  78.299.375.4-80-166.8165.6-175.8-3.2110
1237L32.5Very low30.8Very low142 Ų142137.9 Ų137.974%0.74372%0.722SS**  90.916783.8-86.7178.6000109.6
1238S30.1Very low30.9Very low73 Ų73134.3 Ų134.351%0.5172%0.719SS.*  trans43.4106.9145.863.30000116.3
1239R37.4Very low30.5Very low213 Ų213134.8 Ų134.880%0.80473%0.726SS**  cis-148.2144.944-89.2108179.2-164.8-3.5110
1240L34.8Very low30.3Very low148 Ų148137 Ų13778%0.77573%0.726SS**  58.9138.662.1-72.4149.1000112.5
1241S29.9Very low30.7Very low90 Ų90132.2 Ų132.263%0.62972%0.716SS**  trans46.1111.7148.364.50000119.9
1242K29Very low30.8Very low183 Ų183133.3 Ų133.380%0.79672%0.721SS**  trans68.5129.9157-48.5165.4-179.2178.50114.3L1244K1242-L1244 HydrophobicContact CG-CD1 4.2Å
1243K33.1Very low30.9Very low199 Ų199131 Ų13187%0.86572%0.717SS**  cis-111.7135.58.9-69.5171.4171.7178.40109
1244L32Very low30.8Very low144 Ų144132.6 Ų132.675%0.75472%0.718SS**  cis65.4130.638.1-69.5165.1000114.4K1242K1242-L1244 HydrophobicContact CG-CD1 4.2Å
1245A26.2Very low31.1Very low82 Ų82132.8 Ų132.868%0.67872%0.722SS**  trans65.3141-160.500000111.1
1246S24.5Very low31.4Very low105 Ų105130 Ų13073%0.73472%0.717SS**  69.6163.896.988.30000113.3
1247S23.1Very low31.7Very low93 Ų93126.4 Ų126.465%0.6571%0.713SS**  cis-152.2160.18.9-6.90000111
1248S22.7Very low31.6Very low102 Ų102125.8 Ų125.871%0.71371%0.709SS**  trans-33.9132.5147.251.50000114.3
1249S20.2Very low31.4Very low107 Ų107130.6 Ų130.675%0.74872%0.721SS**  trans-152.4135.4148.782.50000107.3
1250Q24.8Very low30.9Very low168 Ų168126.8 Ų126.879%0.78572%0.716SS**  cis57.2135.541.9-53.1175.8-21.400110.5
1251S37Very low30.5Very low87 Ų87128.3 Ų128.361%0.60872%0.716SS**  cis-154.4-178.4-11.755.40000107
1252P36.6Very low30.5Very low124 Ų124128.9 Ų128.981%0.80572%0.716SS**SBend-122.8142.376.736.8-30.8000111.8
1253T38.7Very low30.4Very low104 Ų104127.1 Ų127.164%0.63871%0.711SS**SBendcis-160.9157.7-2-4.10000109.6
1254I40.6Very low30.1Very low151 Ų151125.1 Ų125.177%0.77470%0.704SS**  trans68.5127.4158.5-60.6156.4000115.1
1255S35.3Very low30.2Very low82 Ų82125 Ų12557%0.57370%0.704SS**  cis-169154.3-10.555.90000111.7
1256N39.7Very low30.2Very low134 Ų134126.1 Ų126.172%0.71771%0.708SS**  trans65.1158.1150.5-59.2-15.6000118.5
1257N37.1Very low30.6Very low124 Ų124125.9 Ų125.966%0.66370%0.703SS**  cis-159.9168.4-33.8-108-31.6000110
1258L31.2Very low30.9Very low129 Ų129128.4 Ų128.468%0.67571%0.708SS**  trans26.4110.9149.9-82.773000118.4
1259K26.6Very low31.1Very low173 Ų173128.7 Ų128.775%0.75270%0.702SS**  91.2137.588.3-89.1-177.1172.41780115
1260L26.9Very low31.6Very low134 Ų134129.1 Ų129.170%0.70270%0.704SS**  trans51.4112.8141.5-72.5167.2000119.8
1261K26Very low31.8Very low179 Ų179127.5 Ų127.578%0.77870%0.7SS**  trans68.8164147-58.6179.5166-166.70116.6
1262T29.2Very low31.6Very low102 Ų102128 Ų12863%0.62670%0.7SS**  trans55.9130.3148.345.50000117.5
1263E26.3Very low31.3Very low146 Ų146128.1 Ų128.168%0.68270%0.698SS**  cis-162.51518.3-121136.9-167.800108.7
1264E28.1Very low31Very low157 Ų157127.6 Ų127.673%0.73470%0.695SS**  trans58174.8145.3-62.3170.3161.100121.2
1265N32.6Very low30.5Very low141 Ų141126 Ų12675%0.75470%0.697SS**  trans68.782.7157.1-52.8-42000119.4
1266S26.4Very low30.4Very low107 Ų107130.6 Ų130.675%0.74870%0.702SS**  -44.6179128.656.90000114.4
1267P33Very low30Very low99 Ų99129.7 Ų129.764%0.64371%0.706SS**  cis-133-142.90.526.31000112
1268I30.1Very low29.7Very low147 Ų147127.7 Ų127.775%0.75470%0.696SS**  trans81.7145.3158.5-57.8160.1000116.2
1269D26.4Very low29.8Very low108 Ų108129 Ų12958%0.57870%0.696SS**  cis176136.1-49.3-103.9-54.2000107.8
1270S31.2Very low30Very low115 Ų115131 Ų13180%0.80470%0.699SS**  trans161.686.3167.927.30000106.6
1271L29.8Very low30.1Very low134 Ų134131.5 Ų131.570%0.70270%0.701SS**  cis55137.938.4-100.965.8000111
1272V31.7Very low30.1Very low99 Ų99128.1 Ų128.160%0.670%0.7SS**  cis170.7150.6-9.8112.50000104.3T1274V1272-T1274 HydrophobicContact CG1-CG2 3.97Å; V1272-T1274 HydrophobicContact CG2-CG2 4.11Å
1273T29.5Very low30.3Very low125 Ų125131.1 Ų131.177%0.76771%0.712SS**  -167.3129.99734.20000108
1274T33.9Very low30.5Very low93 Ų93131 Ų13157%0.57172%0.72SS**  75.5140.95167.10000113.1V1272 R1276V1272-T1274 HydrophobicContact CG1-CG2 3.97Å; V1272-T1274 HydrophobicContact CG2-CG2 4.11Å; T1274-R1276 HydrophobicContact CG2-CB 4.36Å
1275S28.7Very low30.6Very low118 Ų118132.3 Ų132.383%0.82572%0.724SS**  cis-130.2153.938.247.50000116
1276R33.9Very low30.4Very low178 Ų178131.3 Ų131.367%0.67272%0.718SS**  cis96.8123.48.7-172.8176.9174.3-158.3-7.9117.6T1274 D1278T1274-R1276 HydrophobicContact CG2-CB 4.36Å; R1276-D1278 IonicContact CZ-OD1 2.66Å; R1276-D1278 VanDerWaalsContact CZ-OD1 3.25Å; R1276-D1278 IonicContact NE-OD1 2.88Å; R1276-D1278 PolarHBondContact NE-OD1 3.22Å; R1276-D1278 IonicContact NH2-OD1 3.77Å; R1276-D1278 PolarHBondContact NH2-OD1 3.09Å; R1276-D1278 IonicContact NH2-OD2 2.62Å; R1276-D1278 PolarHBondContact NH2-OD2 3.41Å; R1276-D1278 VanDerWaalsContact NH2-OD2 3.1Å
1277S32.4Very low30.4Very low115 Ų115134 Ų13480%0.80472%0.717SS**  169.8157.5116.649.40000110.1
1278D30.3Very low30.1Very low82 Ų82138.9 Ų138.944%0.43972%0.724SS.*  cis-165.9169.3-24.9-117.534.8000104.6R1276R1276-D1278 IonicContact CZ-OD1 2.66Å; R1276-D1278 VanDerWaalsContact CZ-OD1 3.25Å; R1276-D1278 IonicContact NE-OD1 2.88Å; R1276-D1278 PolarHBondContact NE-OD1 3.22Å; R1276-D1278 IonicContact NH2-OD1 3.77Å; R1276-D1278 PolarHBondContact NH2-OD1 3.09Å; R1276-D1278 IonicContact NH2-OD2 2.62Å; R1276-D1278 PolarHBondContact NH2-OD2 3.41Å; R1276-D1278 VanDerWaalsContact NH2-OD2 3.1Å
1279K32.5Very low29.9Very low157 Ų157140.8 Ų140.868%0.68373%0.726SS**  cis-144.7164.610.1-98.3145.1-179.875.60106.1
1280R31.2Very low30.3Very low216 Ų216141 Ų14182%0.81573%0.733SS**  61.6137.159.1-65.8-168.3162.3-156.9-2.6114.1
1281L28.1Very low30Very low143 Ų143142.5 Ų142.575%0.74973%0.728SS**  cis-152-175.54.9-148.151.1000107.2
1282S27.4Very low29.9Very low108 Ų108146.4 Ų146.476%0.75573%0.733SS**  cis-156.7-152.125.7-67.30000112.9
1283L32.7Very low29.6Very low166 Ų166146.7 Ų146.787%0.86974%0.74SS**  trans-156.2154.6-169.6-169.887.2000110
1284V31.9Very low29.6Very low142 Ų142150.2 Ų150.286%0.86174%0.739SS**  trans173.2162.1139.7146.90000112.4
1285K28.8Very low29.3Very low186 Ų186155.9 Ų155.981%0.80975%0.75SS**  trans-101.2168-174.6-68.9179.4175.5176.20114.8
1286D28Very low29.3Very low120 Ų120154.2 Ų154.264%0.64274%0.739SS**  trans88.8117.2142.8-100.338.7000121.5
1287K26.5Very low28.9Very low163 Ų163152.6 Ų152.671%0.70974%0.743SS**  trans74.6122.4142.7-65.7-167.6-177.779.40122.4
1288Y27.1Very low28.7Very low202 Ų202152.6 Ų152.679%0.79274%0.739SS**  trans85.3101.4133.3-94.6-109.7000121.9
1289K27Very low28.6Very low186 Ų186155.2 Ų155.281%0.80976%0.757SS**  trans80.1155.1139.1-78.9-168.6173-171.60120
1290P33.1Very low28.4Very low112 Ų112152 Ų15273%0.72776%0.76SS**  trans-115.3161.6-16541.9-31.2000114.6
1291E26Very low28.3Very low148 Ų148145 Ų14569%0.69276%0.755SS**  -166.1137.2120.4-105.7-169.8128.600109.6
1292R26.7Very low28.5Very low215 Ų215146.7 Ų146.781%0.81176%0.759SS**  39.6126.3109.7-63.6178.3174.6155.8-10.1113.4
1293S27Very low28.6Very low106 Ų106148 Ų14874%0.74176%0.756SS**  cis-179.7-179.445.3760000108.7
1294R28.6Very low28.3Very low198 Ų198148.7 Ų148.775%0.74775%0.753SS**  cis-174139.1-6.8-131.2173.9-178.3-179.62.3106.4
1295R28.1Very low28.2Very low212 Ų212147.2 Ų147.280%0.875%0.749SS**  trans61.3165.6146.7-78.5178.9-179.3-175.3-2.6116.7
1296S27.4Very low28Very low84 Ų84145.2 Ų145.259%0.58775%0.747SS**  cis-160.1136.5-0.419.70000111.8
1297N27Very low28.1Very low144 Ų144145.7 Ų145.777%0.7776%0.755SS**  trans64.4177.5138.4-45.2-0.1000115.9
1298T26.8Very low28.1Very low115 Ų115149.3 Ų149.371%0.70676%0.764SS**  cis-157.1146.49.1-24.80000111.4
1299V29.5Very low28.2Very low137 Ų137145.1 Ų145.183%0.8376%0.759SS**  trans65.8154140.8143.40000119.6
1300A26.9Very low28.2Very low89 Ų89140.1 Ų140.174%0.73675%0.748SS**  cis-179.9160.9-39.100000108.6
1301G29Very low27.9Very low69 Ų69141.1 Ų141.171%0.71174%0.742SS**  trans88.7160.8163.600000115.5
1302E32.2Very low28.1Very low179 Ų179140 Ų14084%0.83674%0.742SS**  cis-137139.6-3.2-70.4-164122.100112.8
1303L30.3Very low28.3Very low134 Ų134136.3 Ų136.370%0.70273%0.731SS**  trans31.5124.8138-74.368.7000119.7
1304F26.2Very low28.6Very low181 Ų181137.1 Ų137.179%0.79473%0.727SS**  56.3120.473.5-79.3-74.9000115
1305S29.4Very low28.5Very low111 Ų111135 Ų13578%0.77673%0.731SS**  trans-168.593.5130.9-82.60000111.6T1307S1305-T1307 PolarHBondContact O-N 3.39Å
1306D26.2Very low28.7Very low144 Ų144130.3 Ų130.377%0.7773%0.728SS**  trans-56.9123.6157.4-72-63.6000108.7R1308D1306-R1308 VanDerWaalsContact C-N 3.33Å; D1306-R1308 PolarHBondContact O-N 2.95Å
1307T29.8Very low28.9Very low131 Ų131135.2 Ų135.280%0.80474%0.741SS**  trans-76.487.1-175-62.90000110.5S1305 V1309S1305-T1307 PolarHBondContact O-N 3.39Å; T1307-V1309 HydrophobicContact CG2-CG2 4.21Å; T1307-V1309 PolarHBondContact O-N 3.26Å
1308R24.8Very low28.8Very low239 Ų239136.8 Ų136.890%0.90274%0.741SS**  trans-63.3102.1165.8-75.9-178.4171.6-177.4-1.1110.6D1306D1306-R1308 VanDerWaalsContact C-N 3.33Å; D1306-R1308 PolarHBondContact O-N 2.95Å
1309V30.9Very low29Very low113 Ų113139.1 Ų139.169%0.68575%0.749SS**  trans-122.1116.9146.1-164.30000104.2T1307T1307-V1309 HydrophobicContact CG2-CG2 4.21Å; T1307-V1309 PolarHBondContact O-N 3.26Å
1310S25.4Very low29Very low82 Ų82137.3 Ų137.357%0.57374%0.742SS**  58.3134.174.4152.80000110.8
1311E26.9Very low29.2Very low132 Ų132140.5 Ų140.562%0.61775%0.746SS**  cis-159175.9-1.6-123.8171.310500110.9K1313E1311-K1313 IonicContact OE1-NZ 2.7Å; E1311-K1313 PolarHBondContact OE1-NZ 2.88Å
1312N30.4Very low29Very low126 Ų126144.3 Ų144.367%0.67475%0.75SS**  trans88.2138.4159.5-53.3-46.5000118.3
1313K31.9Very low29.1Very low136 Ų136141.3 Ų141.359%0.59175%0.746SS**  cis-172.7150.2-36-117.7170.9-158.8113.80106.8E1311E1311-K1313 IonicContact OE1-NZ 2.7Å; E1311-K1313 PolarHBondContact OE1-NZ 2.88Å
1314N33Very low29Very low123 Ų123139.8 Ų139.866%0.65875%0.747SS**  trans65.488.6146-59.4-12.3000120.6
1315N26.4Very low29.2Very low154 Ų154139.5 Ų139.582%0.82475%0.752SS**  84.6155.9107.6-77.8-17.4000121.5
1316P33Very low29.1Very low114 Ų114145.5 Ų145.574%0.7476%0.757SS**  trans-121.2153.4-150.940.6-27.2000114.9
1317Q30.7Very low29.1Very low186 Ų186143.2 Ų143.287%0.86975%0.752SS**  trans-150.8148.1166.9-72.7-169.542.100108.9
1318K25.8Very low29.1Very low178 Ų178147.8 Ų147.877%0.77476%0.755SS**  cis-169.4176.2-22.1-151.2170.7-175.6175.90106.9
1319L30.2Very low29.3Very low163 Ų163147.6 Ų147.685%0.85375%0.754SS**  trans75.2143.8175.1-46.6166.4000114.9
1320S30.6Very low29.3Very low100 Ų100153.4 Ų153.470%0.69976%0.764SS**  cis-160.2109.5-21.849.50000113.3
1321L29.7Very low29.4Very low155 Ų155160 Ų16081%0.81278%0.776SS**  trans33.8108.3130.8-74.7157.1000121.1
1322N26.2Very low29.5Very low149 Ų149160 Ų16080%0.79778%0.78SS**  64.1168.2126.6-84.9-25.8000120.1
1323P34.3Very low29.3Very low116 Ų116158.7 Ų158.775%0.75378%0.78SS**  cis-125.1-173.86.643.7-29.2000116.3
1324S27Very low29.1Very low102 Ų102159.6 Ų159.671%0.71379%0.791SS**  trans-51.1159.3176.452.30000118.2
1325I31.5Very low29Very low175 Ų175158.9 Ų158.990%0.89779%0.791SS**  -161156.9122.1-100.1153.3000110.7
1326R27.4Very low29.1Very low237 Ų237158.9 Ų158.989%0.89479%0.791SS**  trans-123.7137.4-169.7178-168-165.4-172.48.1109.6
1327S26.3Very low29Very low96 Ų96156.8 Ų156.867%0.67179%0.789SS**  trans151129.3141.1-173.90000117.4
1328R28.7Very low29Very low228 Ų228155.1 Ų155.186%0.8679%0.787SS**  trans59.9100.4144.4-68.2172-176.2-174.5-0.4123.6
1329R30.2Very low29.1Very low234 Ų234152.1 Ų152.188%0.88379%0.788SS**  37.396.7106.7-167.3-166.6-160.8-164.68.6119.7
1330R29Very low29.3Very low235 Ų235149.3 Ų149.389%0.88778%0.78SS**  176.3124.4126.3-103.3178.4177.2-175.7-0.3116.5
1331R28.9Very low29.3Very low221 Ų221151.3 Ų151.383%0.83479%0.788SS**  trans36131138-90.9-169.7164.4-166.3-2.7124
1332L27.9Very low29.5Very low133 Ų133150.9 Ų150.970%0.69678%0.781SS**  trans87.8109.9131.9-71.6171.7000122.7
1333S27.6Very low29.6Very low97 Ų97152 Ų15268%0.67878%0.779SS**  113.8147.4103.370.10000122.6
1334L27Very low29.3Very low156 Ų156154.6 Ų154.682%0.81779%0.785SS**  trans91153.2144.2-89.7160.7000123.4
1335V30.9Very low29.3Very low108 Ų108156.1 Ų156.166%0.65579%0.79SS**  trans89.2125.3166.3-164.80000119.7
1336N28.6Very low29.2Very low154 Ų154153.3 Ų153.382%0.82478%0.781SS**  trans-98.7165.1175.6-77.7-3.2000112.8
1337G29.9Very low29.3Very low69 Ų69147.8 Ų147.871%0.71178%0.776SS**  trans-166151.1167.400000110.3
1338N30.5Very low29.3Very low152 Ų152148.2 Ų148.281%0.81377%0.774SS**  trans-123.1175.6-159-62.2-9.9000114.7
1339S29.1Very low29.3Very low114 Ų114149 Ų14980%0.79778%0.777SS**  trans98.1160.5145.887.80000117.3
1340P33.5Very low29.2Very low105 Ų105148.3 Ų148.368%0.68278%0.775SS**  -142.5145-95.734.8-13.4000118.1
1341T32.3Very low29.1Very low141 Ų141142.4 Ų142.487%0.86577%0.769SS**  trans-161.5150.6159.746.60000110.1
1342E32.6Very low29Very low146 Ų146142.2 Ų142.268%0.68278%0.775SS**  cis-154.1-150.9-37.9-161.934.1-123.400108.8
1343K27.8Very low29Very low172 Ų172139.1 Ų139.175%0.74878%0.775SS**  trans-128.1133.1-162.7-67.1169.3-169.7168.20116.2
1344I29.8Very low29.1Very low172 Ų172140.4 Ų140.488%0.88277%0.77SS**  trans-127150152.5-66.6179.8000107.1
1345V26Very low29.3Very low133 Ų133138.4 Ų138.481%0.80677%0.765SS**  trans-91.9140.3-154.9179.80000113.9
1346T29.8Very low29.2Very low117 Ų117142.3 Ų142.372%0.71878%0.776SS**  trans-145.2131165.739.90000110
1347P28.3Very low29.2Very low120 Ų120141.1 Ų141.178%0.77977%0.769SS**  trans-77.6120.217030.1-31000109.4
1348V26.9Very low29.1Very low106 Ų106144.5 Ų144.564%0.64277%0.77SS**  55.9103.763.5-174.80000110.6
1349R28.2Very low28.9Very low243 Ų243142.3 Ų142.392%0.91776%0.762SS**  cis67.685.313.3-155.4-174.2-163.2-166.87.8116.9
1350R28.1Very low28.7Very low221 Ų221145 Ų14583%0.83476%0.762SS**  trans-156154.1155.1-100.1164-152.9-173.47108.6
1351S27.2Very low28.4Very low111 Ų111144.9 Ų144.978%0.77676%0.764SS**  cis-144.7129.65.751.90000113.4
1352F27.1Very low28.1Very low217 Ų217142.9 Ų142.995%0.95276%0.762SS**  trans-88.2151.7151.2-108.5-92.8000109.5
1353G28.5Very low28.4Very low67 Ų67141.7 Ų141.769%0.69177%0.767SS**  trans-178.8141.4168.500000110.6
1354Q29.8Very low28.4Very low124 Ų124138.8 Ų138.858%0.57977%0.768SS**  cis-149.3158.22.3-166.7-177.38.700109.9I1393Q1354-I1393 HydrophobicContact CB-CD1 4.12Å; Q1354-I1393 HydrophobicContact CG-CD1 4.28Å; Q1354-I1393 VanDerWaalsContact OE1-CD1 3.23Å; Q1354-I1393 VanDerWaalsContact OE1-CG1 3.28Å
1355T30.4Very low28.2Very low115 Ų115136.9 Ų136.971%0.70676%0.759SS**  trans-118.5139.1-174.843.90000113.8
1356E29.6Very low28.3Very low189 Ų189139.9 Ų139.988%0.88376%0.762SS**  trans-140130155.4-62.9-172.6157.200107.6
1357N27.4Very low28.2Very low130 Ų130138.9 Ų138.970%0.69576%0.76SS**  cis112.2129.414.5-88.7-35.1000115.3
1358I27.5Very low28.3Very low139 Ų139137.9 Ų137.971%0.71376%0.756SS**  trans80.895145.8-64.4164.7000119.5
1359T26.4Very low28.3Very low107 Ų107142.4 Ų142.466%0.65676%0.761SS**  trans50.7148.7130.475.60000124.9
1360Q26.5Very low28.3Very low169 Ų169141.3 Ų141.379%0.7976%0.757SS**  trans79.2105.4139.7-82.9169.763.500121
1361S25.8Very low28.4Very low104 Ų104134.2 Ų134.273%0.72775%0.752SS**  trans56.9115.113461.40000122.4
1362A26.3Very low28.5Very low99 Ų99140.8 Ų140.882%0.81876%0.76SS**  trans77158.1137.800000118.7
1363P39.6Very low28.5Very low121 Ų121134.9 Ų134.979%0.78675%0.746SS**  trans-119.5159.4-148.941.1-31.4000116.3
1364S27.5Very low28.8Very low110 Ų110142.5 Ų142.577%0.76975%0.754SS**  trans-163.6108.4146.952.30000115.1
1365N26.4Very low28.8Very low133 Ų133146.4 Ų146.471%0.71177%0.769SS**  trans28.9146.6134.8-52.9-30.4000123.7
1366F27.3Very low28.7Very low196 Ų196144.4 Ų144.486%0.8677%0.771SS**  trans76.7151.7157.4-56-66.6000118.5
1367S27.8Very low28.7Very low96 Ų96141.6 Ų141.667%0.67177%0.767SS**  cis-175152.4-28.7-1700000111.1
1368S29.3Very low28.9Very low99 Ų99142.7 Ų142.769%0.69277%0.772SS**  trans75.3152154.2115.10000116.1
1369R28.5Very low28.9Very low201 Ų201143.6 Ų143.676%0.75878%0.778SS**  cis-157.9139.17.9-132.9165.4-173-147.87.8113.2
1370R28.6Very low29Very low220 Ų220148.4 Ų148.483%0.8379%0.79SS**  trans30.5121.4139.3-63.5177.2176.1-173-2.8120.9
1371G28.6Very low29.1Very low71 Ų71144.7 Ų144.773%0.73278%0.78SS**  trans-175.9102.6143.900000110.5
1372R30.9Very low29.1Very low249 Ų249144.9 Ų144.994%0.9479%0.789SS**  52.5130.481.2-80.6-169.8170-171.2-1.9113.7
1373S27Very low29.1Very low94 Ų94144.9 Ų144.966%0.65778%0.783SS**  cis-173.4163.7-5.8-165.20000111.1
1374R33.8Very low28.4Very low226 Ų226145 Ų14585%0.85378%0.783SS**  trans76.5116.1165.9-63.2159.5-172.7-154.5-3113.4
1375K29.1Very low28.3Very low207 Ų207149.1 Ų149.190%0.979%0.787SS**  72.782.471.2-76.5-162.9173.1-166.60112.8
1376G30.1Very low28.4Very low73 Ų73145.8 Ų145.875%0.75377%0.773SS**  trans-135.7107.2150.900000106.9
1377V28.6Very low28.4Very low130 Ų130142 Ų14279%0.78877%0.771SS**  trans-93.2111.2-174.7175.70000108.9
1378N30.8Very low28.5Very low152 Ų152142.9 Ų142.981%0.81377%0.774SS**  trans-179.676.3148.7-91.2-13.6000107.9F1380N1378-F1380 VanDerWaalsContact C-N 3.27Å; N1378-F1380 PolarHBondContact O-N 2.86Å
1379L28.2Very low28.5Very low158 Ų158143.5 Ų143.583%0.82777%0.774SS**  trans-82.769.3-177.5-74.9171.3000112.1
1380F28.4Very low28.5Very low208 Ų208141.4 Ų141.491%0.91278%0.778SS**  trans-113.574.1149.6-80.3-71.4000108.7N1378 A1382N1378-F1380 VanDerWaalsContact C-N 3.27Å; N1378-F1380 PolarHBondContact O-N 2.86Å; F1380-A1382 PolarHBondContact O-N 3.02Å
1381P28Very low28.4Very low91 Ų91134.1 Ų134.159%0.59177%0.771SS**  trans-73.3118.4171.830.9-31.9000109.4S1383P1381-S1383 PolarHBondContact O-N 2.66Å
1382A26.6Very low28.5Very low109 Ų109137.8 Ų137.890%0.90177%0.772SS**  trans-62.7127.6161.400000108.5F1380F1380-A1382 PolarHBondContact O-N 3.02Å
1383S25.2Very low28.6Very low99 Ų99129.1 Ų129.169%0.69274%0.744SS**  trans-142.8143-167.955.70000111.3P1381P1381-S1383 PolarHBondContact O-N 2.66Å
1384P26.6Very low28.8Very low123 Ų123128.7 Ų128.780%0.79975%0.746SS**  -117.6161.4-59.41.818.7000112.7
1385K24.4Very low28.6Very low196 Ų196127.5 Ų127.585%0.85275%0.747SS**  trans-81.4169.8166-90.2-176.2176.6-179.80110.9
1386P29.7Very low28.8Very low63 Ų63120.9 Ų120.941%0.40973%0.731SS.*  trans-72.6156.8-151.8-2437.4000117.3T1418P1386-T1418 HydrophobicContact CB-CG2 4.46Å; P1386-T1418 WeakPolarHBondContact CB-O 3.49Å; P1386-T1418 HydrophobicContact CG-CG2 3.62Å; P1386-T1418 WeakPolarHBondContact CG-O 3.28Å
1387S27.1Very low28.9Very low116 Ų116125.2 Ų125.281%0.81173%0.73SS**  trans-161.5145.7161.7-57.60000111
1388P29.5Very low28.9Very low116 Ų116122.2 Ų122.275%0.75373%0.725SS**  trans-105.3-153.6-18042.3-36.9000112.9
1389T29.3Very low29.1Very low111 Ų111122.4 Ų122.468%0.68172%0.724SS**  trans78.8119.7161.533.80000121.2
1390N27.9Very low29.1Very low158 Ų158120.4 Ų120.485%0.84572%0.72SS**  trans70.4144.8143.8-54.9-22.6000119.4
1391G27.9Very low29.2Very low66 Ų66117 Ų11768%0.6872%0.719SS**  cis152.591.2-5.500000113.4
1392I29.3Very low29.2Very low148 Ų148115.9 Ų115.976%0.75972%0.724SS**SBendtrans-119-34.1177.2-66.4176.6000112A1394 K1395I1392-A1394 VanDerWaalsContact C-N 3.32Å; I1392-A1394 PolarHBondContact O-N 3.26Å; I1392-K1395 PolarHBondContact O-N 3.23Å
1393I33.6Very low29.4Very low68 Ų68117.2 Ų117.235%0.34972%0.721SS.*THydrogen-bonded Turntrans-73.7-18.5-173.2-34.4-171000113.5Q1354 K1395 A1396 F1397Q1354-I1393 HydrophobicContact CB-CD1 4.12Å; Q1354-I1393 HydrophobicContact CG-CD1 4.28Å; Q1354-I1393 VanDerWaalsContact OE1-CD1 3.23Å; Q1354-I1393 VanDerWaalsContact OE1-CG1 3.28Å; I1393-K1395 PolarHBondContact O-N 3.26Å; I1393-A1396 HydrophobicContact CG2-CB 4.29Å; I1393-A1396 WeakPolarHBondContact O-CB 3.49Å; I1393-A1396 PolarHBondContact O-N 3.49Å; I1393-F1397 HydrophobicContact CG2-CD2 4.03Å; I1393-F1397 HydrophobicContact CG2-CE2 3.97Å
1394A30.5Very low29.4Very low84 Ų84117.4 Ų117.469%0.69472%0.723SS**Hα-helixtrans-56.5-25.5176.600000113.1I1392 G1398I1392-A1394 VanDerWaalsContact C-N 3.32Å; I1392-A1394 PolarHBondContact O-N 3.26Å; A1394-G1398 PolarHBondContact O-N 3.02Å
1395K31.1Very low29.5Very low201 Ų201119 Ų11987%0.87472%0.724SS**Hα-helixtrans-82.7-8.8177-152171.7-175.21780114.3I1392 I1393I1392-K1395 PolarHBondContact O-N 3.23Å; I1393-K1395 PolarHBondContact O-N 3.26Å
1396A31.7Very low29.8Very low69 Ų69116.1 Ų116.157%0.5772%0.716SS**Hα-helixtrans-95-19.7178.700000113.8I1393I1393-A1396 HydrophobicContact CG2-CB 4.29Å; I1393-A1396 WeakPolarHBondContact O-CB 3.49Å; I1393-A1396 PolarHBondContact O-N 3.49Å
1397F33.2Very low29.6Very low164 Ų164119.7 Ų119.772%0.71973%0.732SS**Hα-helixtrans-118.6-3.4-179.3-68.2-74.1000115.3I1393I1393-F1397 HydrophobicContact CG2-CD2 4.03Å; I1393-F1397 HydrophobicContact CG2-CE2 3.97Å
1398G28Very low29.6Very low67 Ų67120.9 Ų120.969%0.69173%0.729SS**  trans74.736143.900000119.5A1394A1394-G1398 PolarHBondContact O-N 3.02Å
1399I34.5Very low29.5Very low156 Ų156122 Ų12280%0.872%0.724SS**  trans-125.7136.9172.5-60.4-177000109.7
1400P29.8Very low29.3Very low115 Ų115120.3 Ų120.375%0.74772%0.717SS**  trans-90.9169.5-166.636.8-37.9000114.9
1401P29.3Very low29.4Very low136 Ų136120 Ų12088%0.88372%0.716SS**  trans-97.4133.1-177.335.5-32000114.7
1402G28.1Very low29.5Very low68 Ų68122.4 Ų122.470%0.70171%0.712SS**  trans126.7151.5157.900000117.3
1403T30.6Very low29.3Very low137 Ų137122 Ų12284%0.8471%0.706SS**  trans60.487163.856.10000120.1
1404S25.6Very low28.8Very low103 Ų103125.3 Ų125.372%0.7273%0.725SS**  32.2130.7122.860.20000122.3
1405L27.9Very low28.6Very low156 Ų156132.7 Ų132.782%0.81774%0.735SS**  178.3140.6114.5-94.9161.3000114.1
1406I31.6Very low28.3Very low136 Ų136128.2 Ų128.270%0.69773%0.729SS**  trans74.9100.4152.6-59.1162000120.5
1407N25.8Very low28.2Very low138 Ų138130.6 Ų130.674%0.73874%0.738SS**  trans46.7111130.1-49.18.5000122.6
1408N25.9Very low27.7Very low142 Ų142127.6 Ų127.676%0.75973%0.734SS**  -168.6-176.398.8-95.26000109.9
1409E27.4Very low27.7Very low138 Ų138128.4 Ų128.465%0.64573%0.734SS**  trans-80.6171.6-155-61.6-167.5133.100117.9Q1932E1409-Q1932 PolarHBondContact OE2-NE2 3.38Å
1410S26.7Very low27.4Very low76 Ų76127.4 Ų127.453%0.53174%0.735SS.*  trans59.882.6163.964.50000119.9L1930S1410-L1930 VanDerWaalsContact OG-CD1 3.23Å; S1410-L1930 WeakPolarHBondContact OG-CD1 3.41Å
1411D29.2Very low27.2Very low152 Ų152127.3 Ų127.381%0.81374%0.737SS**  trans-162.5153.6155.9-140.1-5.9000118.3
1412I29.5Very low27.2Very low117 Ų117126.7 Ų126.760%0.673%0.733SS**  trans31.8132.2161.92.7164.3000124.7
1413H25.3Very low27Very low138 Ų138126.7 Ų126.764%0.63973%0.734SS**  154.1134104.2-98.7-57.5000117.9
1414N24.2Very low27.3Very low139 Ų139125.9 Ų125.974%0.74373%0.731SS**  trans59.4112.6145.8-55.8-15.1000121.4
1415W25.7Very low27.4Very low238 Ų238129.1 Ų129.190%0.90274%0.739SS**  trans-117.5118.5157.9-85.467.7000112.2
1416S24.7Very low27.3Very low107 Ų107126.7 Ų126.775%0.74873%0.732SS**  trans-160.892.7170.2-77.60000108.7T1418S1416-T1418 PolarHBondContact O-N 3.42Å
1417P28.9Very low27Very low119 Ų119125.1 Ų125.177%0.77373%0.733SS**  trans-85.8101.6-162.431.2-34.5000112.9
1418T23.8Very low27Very low102 Ų102130.2 Ų130.263%0.62674%0.743SS**  trans-143.670.2172.7190000113.2P1386 S1416P1386-T1418 HydrophobicContact CB-CG2 4.46Å; P1386-T1418 WeakPolarHBondContact CB-O 3.49Å; P1386-T1418 HydrophobicContact CG-CG2 3.62Å; P1386-T1418 WeakPolarHBondContact CG-O 3.28Å; S1416-T1418 PolarHBondContact O-N 3.42Å
1419A27.3Very low27.2Very low84 Ų84128 Ų12869%0.69474%0.736SS**SBendtrans-175.6124.714900000113.8
1420T27.2Very low27.3Very low135 Ų135128.9 Ų128.983%0.82874%0.744SS**  trans20114.1153.141.10000122.8
1421S26.3Very low27.4Very low112 Ų112130.6 Ų130.678%0.78375%0.751SS**  49.5126.7121.1-179.30000119.7
1422P29.5Very low27.3Very low123 Ų123132.5 Ų132.580%0.79975%0.752SS**  cis-126.3165.643.139.4-27.4000116
1423G24.3Very low27.3Very low69 Ų69137.4 Ų137.471%0.71176%0.763SS**  trans-103.4-160.3168.600000112.1
1424P35.5Very low27.5Very low120 Ų120141.7 Ų141.778%0.77977%0.774SS**  cis-133.11724.942.6-28.1000115.5
1425L28.2Very low27.8Very low171 Ų171141.9 Ų141.990%0.89577%0.774SS**  -147.2149.5128-90.5-173.5000109.1
1426P25.6Very low28.1Very low104 Ų104140 Ų14068%0.67577%0.773SS**  trans-110.3133.1-165.538.1-29.6000115.7
1427S25.7Very low28.2Very low103 Ų103138.7 Ų138.772%0.7278%0.776SS**  trans42.6131.2142.264.70000121.8
1428R26.9Very low28.2Very low246 Ų246136.6 Ų136.693%0.92878%0.776SS**  -142.1155.8111.4-99.8167.8-165.8-153.13.8109.4
1429P28.7Very low28.5Very low96 Ų96138.1 Ų138.162%0.62379%0.787SS**  trans-131.7141-146.437.8-20.7000117.1V1431P1429-V1431 PolarHBondContact O-N 3.5Å
1430L30.5Very low28.8Very low155 Ų155142.2 Ų142.281%0.81279%0.792SS**SBendtrans-61.3133.4148.8-83.7170.2000109.3L834 K1432L834-L1430 HydrophobicContact CD2-CD2 4.16Å; L1430-K1432 PolarHBondContact O-N 3.03Å
1431V29.5Very low28.9Very low113 Ų113144.6 Ų144.669%0.68579%0.794SS**  trans-85.288.7-141.6-172.50000114.1P1429 R1433P1429-V1431 PolarHBondContact O-N 3.5Å; V1431-R1433 HydrophobicContact CG1-CG 3.97Å; V1431-R1433 PolarHBondContact O-N 3.3Å
1432K26.7Very low28.9Very low192 Ų192145.3 Ų145.384%0.83579%0.793SS**  trans-69.989.4156.3-92.5173.9178.1154.80110.7L1430 R1434L1430-K1432 PolarHBondContact O-N 3.03Å; K1432-R1434 PolarHBondContact O-N 2.99Å
1433R28.8Very low28.7Very low219 Ų219143.7 Ų143.783%0.82679%0.79SS**  trans-6094.7168-90.9174178150.81.3110.7V1431V1431-R1433 HydrophobicContact CG1-CG 3.97Å; V1431-R1433 PolarHBondContact O-N 3.3Å
1434R29Very low28.8Very low229 Ų229146.8 Ų146.886%0.86480%0.795SS**  trans-132.385.4168.4-85.7-168.2171.9-172.8-1.4110.9K1432K1432-R1434 PolarHBondContact O-N 2.99Å
1435L30.8Very low28.4Very low143 Ų143146.8 Ų146.875%0.74979%0.793SS**  trans-144.2127.4169.6-66.8173.7000105.8
1436F32.1Very low28.2Very low198 Ų198147 Ų14787%0.86879%0.789SS**  cis-130.5-179.90.6-68.9-93.2000110.1
1437G27.1Very low28.4Very low80 Ų80146.1 Ų146.183%0.82579%0.786SS**  trans-133.8151.5175.700000113.9
1438G28.8Very low28.7Very low74 Ų74150.2 Ų150.276%0.76379%0.791SS**  trans112.4156.618000000113.3
1439P30Very low28.6Very low134 Ų134145.4 Ų145.487%0.8778%0.783SS**  cis-93.91793.938.4-35.9000114
1440Q34Very low28.6Very low171 Ų171147.3 Ų147.380%0.79979%0.788SS**  trans-121.2110.3175.7174.1-173.3-5.600109.7
1441E28.3Very low28.5Very low185 Ų185146.9 Ų146.986%0.86479%0.786SS**  trans-127.4107.6161.3-67.6-170.6138.400106.8
1442V26.3Very low28.5Very low127 Ų127146.3 Ų146.377%0.7779%0.787SS**  80.3132.266.7175.20000111.1
1443A26.8Very low28.6Very low89 Ų89143.5 Ų143.574%0.73678%0.781SS**  trans-84.2154.9-166.200000113.1
1444V25.4Very low28.8Very low134 Ų134140.8 Ų140.881%0.81278%0.778SS**  -161.1140.4125.3134.50000112.4
1445T27.5Very low28.7Very low119 Ų119137.2 Ų137.273%0.7378%0.775SS**  trans-36.2134.4161.3-30.20000116.1
1446E24.7Very low28.6Very low176 Ų176136.2 Ų136.282%0.82278%0.78SS**  trans179120.6132.2-98.9168.2-147.400108.4
1447S28.6Very low28.5Very low86 Ų86134.1 Ų134.160%0.60178%0.777SS**  77117.567.8116.60000114.9
1448K31.4Very low28.6Very low189 Ų189138.7 Ų138.782%0.82278%0.777SS**  trans75.7127.5168.4-58171.2-176.6166.40119.2
1449L25.5Very low28.9Very low145 Ų145139.8 Ų139.876%0.75977%0.77SS**  trans41.2111.6135.1-68158000120.2
1450N29.7Very low28.9Very low136 Ų136138.8 Ų138.873%0.72776%0.762SS**  trans67.7115.7139.6-59.5-3.2000121.1
1451N28.5Very low28.6Very low146 Ų146141 Ų14178%0.78176%0.763SS**  trans61.8111.7134.3-71.52.9000121.6
1452S28.2Very low28.7Very low100 Ų100140.2 Ų140.270%0.69976%0.757SS**  113.8139110.174.40000121.1
1453N30.4Very low28.8Very low134 Ų134144.2 Ų144.272%0.71776%0.758SS**  trans78.9107.6142.3-66.9-9.4000123.6
1454Q31.6Very low29.1Very low162 Ų162147.3 Ų147.376%0.75776%0.757SS**  89.4127.2117.4-72.3-169.5-9.100123.5
1455L27.3Very low29.2Very low154 Ų154148.8 Ų148.881%0.80675%0.753SS**  trans53126.4145.6-78.486.5000121.6
1456S29.6Very low29.2Very low122 Ų122146.9 Ų146.985%0.85375%0.745SS**  -174.6167.8103.4-161.40000113.2
1457L28.2Very low29.4Very low154 Ų154145.1 Ų145.181%0.80674%0.741SS**  trans-91.9151.7-168.1-72.7134.7000115.5
1458Q29.7Very low29.4Very low175 Ų175146 Ų14682%0.81875%0.747SS**  trans21.4172.3133.9-91.4-161.414.100122.8
1459P36.2Very low29.4Very low97 Ų97144.2 Ų144.263%0.6374%0.742SS**  cis-135.2-160.3-27.532.7-11.3000112.2
1460T30.1Very low29.6Very low114 Ų114146.5 Ų146.570%0.69974%0.74SS**  trans134.2110.9131.3-55.90000118.6
1461R26Very low29.5Very low217 Ų217145.9 Ų145.982%0.81974%0.737SS**  trans66.4145.3144.5-90.5178.5161.2174.1-4124.7
1462K31Very low29.5Very low169 Ų169144.1 Ų144.174%0.73573%0.731SS**  trans95.1106.6135.5-88.2-179.8174.3-166.60121.1
1463R29.1Very low29.5Very low211 Ų211145.9 Ų145.980%0.79673%0.733SS**  trans-6.4146.1132.1-58.5175.7178174.8-3.7117.4
1464H32.9Very low29.6Very low153 Ų153146.3 Ų146.371%0.70874%0.735SS**  154.5149.2122.4-88.5-80.4000109
1465F27.9Very low29.4Very low166 Ų166144.2 Ų144.273%0.72874%0.738SS**  cis-174.5175.3-25.6-138-100.4000105.6
1466S27.8Very low29.3Very low79 Ų79142.1 Ų142.155%0.55274%0.736SS**  trans70.2122.2154-74.40000122.2
1467D28.4Very low29.3Very low138 Ų138145.5 Ų145.574%0.73874%0.736SS**  52.8134.8113.8-31.9-39.9000119.1
1468S27.5Very low29.3Very low105 Ų105144.4 Ų144.473%0.73474%0.736SS**  cis179.3-179.847.240.90000111.9
1469E32Very low29.2Very low152 Ų152141.3 Ų141.371%0.7173%0.728SS**  trans75145.7160.2-59.2-144.2127.300119.5
1470R29Very low28.8Very low193 Ų193139.6 Ų139.673%0.72872%0.716SS**  cis-169.8162.5-33-128.8179.6174.6144.9-5.7111.3
1471N28.4Very low28.7Very low123 Ų123138.5 Ų138.566%0.65871%0.705SS**  trans76.6119.8147-70.9-1.9000123.3
1472T27.6Very low29Very low108 Ų108129.7 Ų129.766%0.66368%0.676SS**  76.3105.8127.959.50000122.4
1473N29.4Very low29Very low137 Ų137126.7 Ų126.773%0.73367%0.673SS**  161.2140.999.8-81.5-40.1000113.9
1474N31.9Very low29.1Very low144 Ų144120 Ų12077%0.7766%0.657SS**  trans53.1102.1155.9-51.4-5.3000118.3
1475S27.7Very low29Very low117 Ų117115.7 Ų115.782%0.81864%0.644SS**  cis88.785.921.491.60000118.1
1476S25.4Very low29.3Very low110 Ų110112 Ų11277%0.76963%0.629SS**  trans-168.8119.1148.5178.10000113.5
1477K29Very low29.7Very low193 Ų193112.2 Ų112.284%0.83962%0.624SS**  trans46.8101.2155.1-61.8-173175-171.30119.7
1478V28.5Very low29.8Very low132 Ų132108.7 Ų108.780%0.861%0.608SS**  trans-102.1148.5154.5163.80000109.7T1480V1478-T1480 VanDerWaalsContact C-OG1 3.23Å; V1478-T1480 PolarHBondContact O-OG1 2.95Å
1479V28.2Very low30.2Very low110 Ų110108.1 Ų108.167%0.66760%0.602SS**  trans-143.5109.9-178.4-141.20000107.7T1949V1479-T1949 WeakPolarHBondContact CG1-O 3.44Å; V1479-T1949 WeakPolarHBondContact CG1-OG1 3.46Å
1480T27.7Very low30.2Very low61 Ų61106.8 Ų106.837%0.37460%0.6SS.*  cis175-140.4-22.3-69.60000104V1478 T1949 L1950V1478-T1480 VanDerWaalsContact C-OG1 3.23Å; V1478-T1480 PolarHBondContact O-OG1 2.95Å; T1480-T1949 VanDerWaalsContact C-CB 3.4Å; T1480-T1949 VanDerWaalsContact C-CG2 3.49Å; T1480-T1949 VanDerWaalsContact CB-C 3.4Å; T1480-T1949 WeakPolarHBondContact CB-O 3.4Å; T1480-T1949 VanDerWaalsContact N-CB 3.33Å; T1480-L1950 HydrophobicContact CG2-CB 3.43Å; T1480-L1950 VanDerWaalsContact CG2-CB 3.43Å; T1480-L1950 HydrophobicContact CG2-CD1 3.12Å; T1480-L1950 HydrophobicContact CG2-CD2 4.47Å; T1480-L1950 HydrophobicContact CG2-CG 3.08Å
1481I27.6Very low30.3Very low90 Ų90108.1 Ų108.146%0.46261%0.612SS.*  cis-141.2157.35.3-136.5-29.7000105T1949 L1950I1481-T1949 HydrophobicContact CB-CG2 3.65Å; I1481-T1949 HydrophobicContact CG1-CG2 4.46Å; I1481-T1949 HydrophobicContact CG2-CG2 4.05Å; I1481-L1950 VanDerWaalsContact CA-CA 3.45Å; I1481-L1950 VanDerWaalsContact CA-CD2 3.44Å; I1481-L1950 VanDerWaalsContact CD1-C 3.41Å; I1481-L1950 HydrophobicContact CD1-CB 4.32Å; I1481-L1950 WeakPolarHBondContact CD1-O 3.4Å
1482S32.5Very low30.3Very low32 Ų32108.6 Ų108.622%0.22461%0.613CS.*  cis80.6158.46.4-150.20000118.9L1950 D1952 N1953S1482-L1950 VanDerWaalsContact CB-CD2 3.49Å; S1482-D1952 WeakPolarHBondContact OG-CA 3.35Å; S1482-N1953 WeakPolarHBondContact CB-OD1 3.33Å; S1482-N1953 PolarHBondContact OG-N 3.35Å; S1482-N1953 PolarHBondContact OG-OD1 3.05Å
1483T29.9Very low30.6Very low107 Ų107111.7 Ų111.766%0.65662%0.617SS**  cis-94.7143.5-22.159.90000110.2
1484C32Very low30.8Very low70 Ų70111.7 Ų111.747%0.47362%0.616SS.*  cis81.9135.339.4-66.60000113.8N1953C1484-N1953 PolarHBondContact SG-OD1 2.85Å
1485C30.2Very low31.1Very low63 Ų63109.2 Ų109.243%0.42661%0.608SS.*  cis-163.51705.6-118.90000115.4S1954C1485-S1954 VanDerWaalsContact SG-CB 3.51Å
1486E34.2Very low31.8Very low87 Ų87109.2 Ų109.241%0.40761%0.605SS.*  trans41.2149.1131.7-65.7157.2172.900121.7S1954 F1955 E1956E1486-S1954 WeakPolarHBondContact OE2-CB 3.49Å; E1486-F1955 WeakPolarHBondContact OE2-CA 3.24Å; E1486-F1955 WeakPolarHBondContact OE2-CD1 3.43Å; E1486-F1955 PolarHBondContact OE2-N 3.45Å; E1486-E1956 HydrophobicContact CB-CG 4.14Å
1487D35.5Very low32.2Very low84 Ų84112.4 Ų112.445%0.44961%0.608SS.*  cis-163179.9-1.8-133.2-38.9000114.4E1956D1487-E1956 HydrophobicContact CB-CG 4.15Å
1488T31.8Very low32.4Very low65 Ų65109.3 Ų109.340%0.39961%0.611SS.*  trans127.9139.4139.162.10000115.7S1958T1488-S1958 WeakPolarHBondContact OG1-CB 3.5Å; T1488-S1958 PolarHBondContact OG1-OG 3.34Å
1489C36.1Very low32.6Very low93 Ų93111.7 Ų111.763%0.62861%0.613SS**  cis77.1139.832.4-66.40000114.6
1490D31.5Very low32.8Very low124 Ų124111.5 Ų111.566%0.66362%0.617SS**  cis-145.1130.6-5.5-103.6-23.9000110.6I1492D1490-I1492 VanDerWaalsContact C-N 3.31Å; D1490-I1492 HydrophobicContact CB-CG1 4.16Å; D1490-I1492 PolarHBondContact O-N 3.27Å; D1490-I1492 VanDerWaalsContact O-N 3.08Å
1491F30.1Very low32.9Very low220 Ų220116.2 Ų116.297%0.96564%0.639SS**  trans-83.576.7164.5-85.3-70.3000110.8F1493F1491-F1493 PolarHBondContact O-N 2.99Å; F1491-F1493 VanDerWaalsContact O-N 3.09Å
1492I29.9Very low33.2Very low134 Ų134121.2 Ų121.269%0.68766%0.657SS**  trans-57.6114170.4-60.3177.4000108.9D1490 I1494D1490-I1492 VanDerWaalsContact C-N 3.31Å; D1490-I1492 HydrophobicContact CB-CG1 4.16Å; D1490-I1492 PolarHBondContact O-N 3.27Å; D1490-I1492 VanDerWaalsContact O-N 3.08Å; I1492-I1494 PolarHBondContact O-N 3.04Å
1493F33Very low33.1Very low172 Ų172129.3 Ų129.375%0.75469%0.688SS**  trans-71.688.7177.6-168.5-89000110.5F1491 P1495F1491-F1493 PolarHBondContact O-N 2.99Å; F1491-F1493 VanDerWaalsContact O-N 3.09Å; F1493-P1495 WeakPolarHBondContact O-CD 3.38Å
1494I34.9Very low33.3Very low138 Ų138135.5 Ų135.571%0.70870%0.699SS**  trans-68.2113.8173.1-59.4175.8000108.3I1492I1492-I1494 PolarHBondContact O-N 3.04Å
1495P38.2Very low33.2Very low91 Ų91143.4 Ų143.459%0.59172%0.719SS**PPolyproline II helixtrans-67.7131.1176.6-15.631.2000109F1493 Q1497F1493-P1495 WeakPolarHBondContact O-CD 3.38Å; P1495-Q1497 PolarHBondContact O-N 3.05Å
1496P41.3Very low33.4Very low118 Ų118152.3 Ų152.377%0.76674%0.744SS**PPolyproline II helixtrans-61.3117174.724.6-32.5000109.1S1498P1496-S1498 PolarHBondContact O-N 3.34Å
1497Q34.5Very low33.8Very low176 Ų176152.3 Ų152.382%0.82275%0.753SS**PPolyproline II helixtrans-59.3136.4179.6-72.1-174.8-13.100110.3P1495 E1499P1495-Q1497 PolarHBondContact O-N 3.05Å; Q1497-E1499 PolarHBondContact O-N 3.46Å
1498S31.8Very low34.6Very low129 Ų129152 Ų15290%0.90275%0.751SS**  trans-76.466.4-17460.40000112.4P1496P1496-S1498 PolarHBondContact O-N 3.34Å
1499E32.8Very low36.6Very low181 Ų181152.5 Ų152.585%0.84675%0.754SS**  trans-85.2130.1171.8-74.7-155.5124.900112Q1497Q1497-E1499 PolarHBondContact O-N 3.46Å
1500S32.7Very low38.2Very low107 Ų107153.6 Ų153.675%0.74876%0.758SS**  trans-75.2149.2-175.258.20000113.8
1501L31.2Very low40Very low160 Ų160152 Ų15284%0.83875%0.746SS**SBendtrans1.8117152.4-68.9166.9000117.2
1502K32.9Very low42Very low195 Ų195146.1 Ų146.185%0.84872%0.722SS**  trans102120.9162.7-58163.4-178.2171.70116.7
1503K31.5Very low44.4Very low202 Ų202144.7 Ų144.788%0.87871%0.711SS**  trans69.696.2156.7-58.7175.9179.5-179.50118.8
1504R32.7Very low46.3Very low236 Ų236141.7 Ų141.789%0.89170%0.699SS**  -158.9124110.6-123.2169.7172.8161.3-4112R1506R1504-R1506 PolarHBondContact O-N 3.05Å
1505R31.1Very low47.9Very low236 Ų236140.6 Ų140.689%0.89169%0.686SS**  trans-62.9115.5158.7-82.4179.5168.7169.5-5.7106.7C1507R1505-C1507 PolarHBondContact O-N 3.26Å
1506R34.4Very low49.4Very low250 Ų250141.9 Ų141.994%0.94368%0.682SS**  trans-73.583.2161.9-74.9-172-179.9179.61.3107.5R1504 L1508R1504-R1506 PolarHBondContact O-N 3.05Å; R1506-L1508 PolarHBondContact O-N 3.49Å
1507C41Very low50.9Low87 Ų87143 Ų14359%0.58868%0.675SS**  trans-56128.4164.4-69.10000108R1505 T1509R1505-C1507 PolarHBondContact O-N 3.26Å; C1507-T1509 PolarHBondContact O-N 2.9Å
1508L52.6Low52.5Low79 Ų79138.4 Ų138.441%0.41465%0.654SS.*  trans-43131.8157.8-68.6163.5000108.2R1506 Q1512 K1513 F1516R1506-L1508 PolarHBondContact O-N 3.49Å; L1508-Q1512 HydrophobicContact CB-CB 4.04Å; L1508-Q1512 HydrophobicContact CD2-CB 3.99Å; L1508-K1513 HydrophobicContact CB-CD 4.38Å; L1508-K1513 HydrophobicContact CB-CG 3.47Å; L1508-K1513 VanDerWaalsContact CB-CG 3.47Å; L1508-K1513 HydrophobicContact CD1-CG 4.25Å; L1508-K1513 WeakPolarHBondContact O-CE 3.45Å; L1508-F1516 HydrophobicContact CD1-CD2 4.44Å; L1508-F1516 HydrophobicContact CD2-CD2 4.36Å; L1508-F1516 HydrophobicContact CD2-CE2 4.45Å
1509T73.9Confident54Low74 Ų74137.3 Ų137.345%0.45463%0.634SS.*  trans-59.6166.2175.664.50000110.3C1507 H1511 Q1512 K1513C1507-T1509 PolarHBondContact O-N 2.9Å; T1509-H1511 PolarHBondContact O-N 3.41Å; T1509-Q1512 PolarHBondContact O-N 3.41Å; T1509-Q1512 WeakPolarHBondContact OG1-CB 3.16Å; T1509-Q1512 WeakPolarHBondContact OG1-CG 3.34Å; T1509-Q1512 PolarHBondContact OG1-N 3.3Å; T1509-Q1512 VanDerWaalsContact OG1-N 3.15Å; T1509-Q1512 PolarHBondContact OG1-OE1 3.1Å; T1509-K1513 PolarHBondContact O-N 3.11Å
1510T69.6Low55.4Low117 Ų117133.9 Ų133.972%0.71862%0.621SS**Hα-helixtrans-50.9-59.4173.541.70000110.1Q1512 K1513 E1514T1510-Q1512 PolarHBondContact O-N 3.34Å; T1510-K1513 CarbonylContact O-C 3.42Å; T1510-K1513 WeakPolarHBondContact O-CA 3.46Å; T1510-K1513 PolarHBondContact O-N 3.32Å; T1510-E1514 WeakPolarHBondContact O-CB 3.45Å; T1510-E1514 PolarHBondContact O-N 2.72Å
1511H70.1Confident56.4Low89 Ų89134.2 Ų134.241%0.41261%0.614SS.*Hα-helixtrans-52.1-30.9175.2-174.7-24.9000114.4T1509 R1515T1509-H1511 PolarHBondContact O-N 3.41Å; H1511-R1515 WeakPolarHBondContact O-CB 3.39Å; H1511-R1515 PolarHBondContact O-N 3.41Å
1512Q72.8Confident57.3Low97 Ų97133.8 Ų133.845%0.45361%0.608SS.*Hα-helixtrans-81.5-34.4175.7-75.1171.6-39.700113.2L1508 T1509 T1510 E1514 F1516L1508-Q1512 HydrophobicContact CB-CB 4.04Å; L1508-Q1512 HydrophobicContact CD2-CB 3.99Å; T1509-Q1512 PolarHBondContact O-N 3.41Å; T1509-Q1512 WeakPolarHBondContact OG1-CB 3.16Å; T1509-Q1512 WeakPolarHBondContact OG1-CG 3.34Å; T1509-Q1512 PolarHBondContact OG1-N 3.3Å; T1509-Q1512 VanDerWaalsContact OG1-N 3.15Å; T1509-Q1512 PolarHBondContact OG1-OE1 3.1Å; T1510-Q1512 PolarHBondContact O-N 3.34Å; Q1512-E1514 VanDerWaalsContact C-N 3.3Å; Q1512-F1516 WeakPolarHBondContact O-CB 3.49Å; Q1512-F1516 WeakPolarHBondContact O-CD2 3.28Å; Q1512-F1516 PolarHBondContact O-N 2.94Å
1513K79.2Confident57.7Low105 Ų105134.4 Ų134.446%0.45761%0.607SS.*Hα-helixtrans-70.8-31.7170-67.9-173.3177.3-173.10111.9L1508 T1509 T1510 K1517L1508-K1513 HydrophobicContact CB-CD 4.38Å; L1508-K1513 HydrophobicContact CB-CG 3.47Å; L1508-K1513 VanDerWaalsContact CB-CG 3.47Å; L1508-K1513 HydrophobicContact CD1-CG 4.25Å; L1508-K1513 WeakPolarHBondContact O-CE 3.45Å; T1509-K1513 PolarHBondContact O-N 3.11Å; T1510-K1513 CarbonylContact O-C 3.42Å; T1510-K1513 WeakPolarHBondContact O-CA 3.46Å; T1510-K1513 PolarHBondContact O-N 3.32Å; K1513-K1517 WeakPolarHBondContact O-CB 3.26Å; K1513-K1517 VanDerWaalsContact O-CG 3.28Å; K1513-K1517 WeakPolarHBondContact O-CG 3.31Å; K1513-K1517 PolarHBondContact O-N 3.14Å
1514E73.1Confident57.8Low108 Ų108130.1 Ų130.151%0.50559%0.592SS.*Hα-helixtrans-66.2-57172.8-151.7150.3-131.100107.6T1510 Q1512 F1516 K1517 E1518T1510-E1514 WeakPolarHBondContact O-CB 3.45Å; T1510-E1514 PolarHBondContact O-N 2.72Å; Q1512-E1514 VanDerWaalsContact C-N 3.3Å; E1514-F1516 VanDerWaalsContact C-N 3.35Å; E1514-F1516 PolarHBondContact O-N 2.8Å; E1514-K1517 CarbonylContact O-C 3.52Å; E1514-K1517 WeakPolarHBondContact O-CA 3.02Å; E1514-K1517 PolarHBondContact O-N 2.67Å; E1514-E1518 WeakPolarHBondContact O-CB 3.24Å; E1514-E1518 VanDerWaalsContact O-CG 3.29Å; E1514-E1518 WeakPolarHBondContact O-CG 3.36Å; E1514-E1518 PolarHBondContact O-N 3.06Å
1515R67.8Low57.8Low116 Ų116123.3 Ų123.344%0.43858%0.578SS.*Hα-helixtrans-53.5-42.6172-106.7-68.3-169.8115.7-5.2115H1511 K1517 E1518 Q1519H1511-R1515 WeakPolarHBondContact O-CB 3.39Å; H1511-R1515 PolarHBondContact O-N 3.41Å; R1515-K1517 VanDerWaalsContact C-N 3.35Å; R1515-E1518 VanDerWaalsContact CA-OE2 3.27Å; R1515-E1518 WeakPolarHBondContact CA-OE2 3.22Å; R1515-Q1519 WeakPolarHBondContact O-CB 3.46Å; R1515-Q1519 VanDerWaalsContact O-CG 3.28Å; R1515-Q1519 WeakPolarHBondContact O-CG 3.29Å; R1515-Q1519 PolarHBondContact O-N 2.99Å
1516F70.6Confident58Low118 Ų118118.8 Ų118.852%0.51858%0.577SS.*Hα-helixtrans-71.7-27.9175.9-96.9-76.6000113L1508 Q1512 E1514 L1520L1508-F1516 HydrophobicContact CD1-CD2 4.44Å; L1508-F1516 HydrophobicContact CD2-CD2 4.36Å; L1508-F1516 HydrophobicContact CD2-CE2 4.45Å; Q1512-F1516 WeakPolarHBondContact O-CB 3.49Å; Q1512-F1516 WeakPolarHBondContact O-CD2 3.28Å; Q1512-F1516 PolarHBondContact O-N 2.94Å; E1514-F1516 VanDerWaalsContact C-N 3.35Å; E1514-F1516 PolarHBondContact O-N 2.8Å; F1516-L1520 VanDerWaalsContact O-CB 3.22Å; F1516-L1520 WeakPolarHBondContact O-CB 3.45Å; F1516-L1520 WeakPolarHBondContact O-CD1 3.41Å; F1516-L1520 WeakPolarHBondContact O-CG 2.98Å; F1516-L1520 PolarHBondContact O-N 3.44Å
1517K73Confident58.1Low141 Ų141114.5 Ų114.561%0.61357%0.57SS**Hα-helixtrans-79.9-33.7172.4-83.7-170.8165.2-148.70112.9K1513 E1514 R1515 L1520 N1521K1513-K1517 WeakPolarHBondContact O-CB 3.26Å; K1513-K1517 VanDerWaalsContact O-CG 3.28Å; K1513-K1517 WeakPolarHBondContact O-CG 3.31Å; K1513-K1517 PolarHBondContact O-N 3.14Å; E1514-K1517 CarbonylContact O-C 3.52Å; E1514-K1517 WeakPolarHBondContact O-CA 3.02Å; E1514-K1517 PolarHBondContact O-N 2.67Å; R1515-K1517 VanDerWaalsContact C-N 3.35Å; K1517-L1520 CarbonylContact O-C 3.41Å; K1517-L1520 PolarHBondContact O-N 2.92Å; K1517-N1521 WeakPolarHBondContact O-CB 3.48Å; K1517-N1521 PolarHBondContact O-N 3.33Å; K1517-N1521 PolarHBondContact O-OD1 2.92Å
1518E67.5Low57.7Low80 Ų80120.5 Ų120.537%0.37458%0.582SS.*Hα-helixtrans-58.7-56.8168.5-70.2161175.300107.3E1514 R1515 L1520 N1521 E1522E1514-E1518 WeakPolarHBondContact O-CB 3.24Å; E1514-E1518 VanDerWaalsContact O-CG 3.29Å; E1514-E1518 WeakPolarHBondContact O-CG 3.36Å; E1514-E1518 PolarHBondContact O-N 3.06Å; R1515-E1518 VanDerWaalsContact CA-OE2 3.27Å; R1515-E1518 WeakPolarHBondContact CA-OE2 3.22Å; E1518-L1520 VanDerWaalsContact C-N 3.26Å; E1518-L1520 PolarHBondContact O-N 3.32Å; E1518-L1520 VanDerWaalsContact O-N 3.14Å; E1518-N1521 PolarHBondContact O-N 3.01Å; E1518-E1522 VanDerWaalsContact O-CB 3.28Å; E1518-E1522 WeakPolarHBondContact O-CB 3.29Å; E1518-E1522 VanDerWaalsContact O-CG 3.32Å; E1518-E1522 WeakPolarHBondContact O-CG 3.48Å; E1518-E1522 PolarHBondContact O-N 2.89Å
1519Q62.7Low56.9Low105 Ų105123.8 Ų123.849%0.49160%0.6SS.*Hα-helixtrans-65.4-19.8178.3-65.3-177.9-94.800115.1R1515R1515-Q1519 WeakPolarHBondContact O-CB 3.46Å; R1515-Q1519 VanDerWaalsContact O-CG 3.28Å; R1515-Q1519 WeakPolarHBondContact O-CG 3.29Å; R1515-Q1519 PolarHBondContact O-N 2.99Å
1520L62.6Low55.1Low110 Ų110129.7 Ų129.758%0.57662%0.622SS**Hα-helixtrans-93.7-11.9172-86.4161.2000114.3F1516 K1517 E1518 I1524F1516-L1520 VanDerWaalsContact O-CB 3.22Å; F1516-L1520 WeakPolarHBondContact O-CB 3.45Å; F1516-L1520 WeakPolarHBondContact O-CD1 3.41Å; F1516-L1520 WeakPolarHBondContact O-CG 2.98Å; F1516-L1520 PolarHBondContact O-N 3.44Å; K1517-L1520 CarbonylContact O-C 3.41Å; K1517-L1520 PolarHBondContact O-N 2.92Å; E1518-L1520 VanDerWaalsContact C-N 3.26Å; E1518-L1520 PolarHBondContact O-N 3.32Å; E1518-L1520 VanDerWaalsContact O-N 3.14Å; L1520-I1524 WeakPolarHBondContact O-CD1 3.21Å; L1520-I1524 WeakPolarHBondContact O-CG1 3.19Å
1521N53.4Low53.4Low113 Ų113131 Ų13160%0.60462%0.624SS**Hα-helixtrans-110.2-28.9179.7-67.46.7000112.2K1517 E1518 Y1523K1517-N1521 WeakPolarHBondContact O-CB 3.48Å; K1517-N1521 PolarHBondContact O-N 3.33Å; K1517-N1521 PolarHBondContact O-OD1 2.92Å; E1518-N1521 PolarHBondContact O-N 3.01Å; N1521-Y1523 VanDerWaalsContact C-N 3.3Å
1522E51.3Low51.7Low151 Ų151130.4 Ų130.471%0.70662%0.624SS**THydrogen-bonded Turntrans-75.6-19.9174.4-67.7177.1131.500111.9E1518E1518-E1522 VanDerWaalsContact O-CB 3.28Å; E1518-E1522 WeakPolarHBondContact O-CB 3.29Å; E1518-E1522 VanDerWaalsContact O-CG 3.32Å; E1518-E1522 WeakPolarHBondContact O-CG 3.48Å; E1518-E1522 PolarHBondContact O-N 2.89Å
1523Y40.2Very low49.6Very low208 Ų208131.3 Ų131.382%0.81663%0.631SS**THydrogen-bonded Turntrans-101.426.6176.8-132.2-88.5000113.4N1521N1521-Y1523 VanDerWaalsContact C-N 3.3Å
1524I33.2Very low47.4Very low112 Ų112129.4 Ų129.457%0.57463%0.631SS**  trans-126.884.3169.7-53.4178.1000109.5L1520L1520-I1524 WeakPolarHBondContact O-CD1 3.21Å; L1520-I1524 WeakPolarHBondContact O-CG1 3.19Å
1525P33.4Very low45.4Very low93 Ų93128.6 Ų128.660%0.60463%0.627SS**  trans-60.9135.3166-22.535000111.2M1527P1525-M1527 PolarHBondContact O-N 3.35Å
1526T36.5Very low43.7Very low142 Ų142129.4 Ų129.487%0.87164%0.635SS**THydrogen-bonded Turntrans-77.821.2-153.5-21.90000116.8
1527M34.9Very low41.7Very low160 Ų160127.8 Ų127.879%0.78864%0.639SS**THydrogen-bonded Turntrans-117.2-1-174.2-61.2-150.5-63.300115.9P1525 N1529P1525-M1527 PolarHBondContact O-N 3.35Å; M1527-N1529 PolarHBondContact O-N 2.86Å
1528Y33.3Very low39.4Very low213 Ų213128.1 Ų128.184%0.83564%0.637SS**THydrogen-bonded Turntrans-75.355.3175-90.4-80.5000113.1
1529N35.4Very low37.4Very low148 Ų148129.2 Ų129.279%0.79165%0.653SS**THydrogen-bonded Turntrans-138.9-3-172.1-139.776.8000115.9M1527M1527-N1529 PolarHBondContact O-N 2.86Å
1530E36.9Very low35.7Very low197 Ų197128.7 Ų128.792%0.92166%0.661SS**  trans-130.365.7169.1-70.9-171.9-16300110
1531L33.7Very low34.3Very low146 Ų146131.1 Ų131.176%0.76467%0.673SS**  trans-74155.3158.1-128.5174.4000108.1
1532D33.5Very low33.1Very low75 Ų75130.7 Ų130.740%0.40168%0.678SS.*  trans72.9108.1151.2-132.238.5000114.6N1591 E1592 T1593D1532-N1591 VanDerWaalsContact CB-C 3.5Å; D1532-N1591 CarbonylContact O-C 3.51Å; D1532-N1591 WeakPolarHBondContact OD2-CA 3.45Å; D1532-N1591 PolarHBondContact OD2-N 3.42Å; D1532-E1592 CarbonylContact C-O 3.08Å; D1532-E1592 WeakPolarHBondContact CA-O 3.42Å; D1532-E1592 PolarHBondContact O-N 3.28Å; D1532-E1592 VanDerWaalsContact O-N 3.09Å; D1532-E1592 WeakPolarHBondContact OD2-CA 3.23Å; D1532-E1592 PolarHBondContact OD2-N 3.1Å; D1532-T1593 PolarHBondContact OD1-N 2.95Å
1533I30.3Very low32.6Very low116 Ų116125.8 Ų125.860%0.59567%0.669SS**  trans-159.7103.5132.9-63.8-153.9000113.1N1591 E1592I1533-N1591 WeakPolarHBondContact CG1-O 3.22Å; I1533-E1592 CarbonylContact C-O 3.55Å; I1533-E1592 WeakPolarHBondContact CA-O 3.47Å; I1533-E1592 HydrophobicContact CB-CB 4.39Å; I1533-E1592 HydrophobicContact CG1-CB 4.49Å; I1533-E1592 HydrophobicContact CG2-CB 4.34Å; I1533-E1592 PolarHBondContact N-O 2.8Å
1534S32.1Very low32.6Very low66 Ų66119.9 Ų119.946%0.46267%0.671SS.*  trans72.4161.3150.381.40000120.8E1592 T1593 S1594S1534-E1592 PolarHBondContact N-O 3.06Å; S1534-T1593 CarbonylContact C-O 3.41Å; S1534-T1593 VanDerWaalsContact C-O 3.27Å; S1534-T1593 WeakPolarHBondContact CA-O 3.35Å; S1534-T1593 PolarHBondContact N-O 3.37Å; S1534-S1594 PolarHBondContact O-OG 2.98Å
1535Q31Very low33Very low91 Ų91118.8 Ų118.843%0.42569%0.687SS.*  cis-167.6142.6-36.2-102.7-169.148.900107E1592 T1593 S1594Q1535-E1592 PolarHBondContact NE2-OE2 2.69Å; Q1535-T1593 HydrophobicContact CG-CG2 4.1Å; Q1535-T1593 VanDerWaalsContact CG-OG1 3.31Å; Q1535-T1593 WeakPolarHBondContact CG-OG1 3.31Å; Q1535-S1594 VanDerWaalsContact CA-OG 3.26Å; Q1535-S1594 WeakPolarHBondContact CA-OG 3.44Å; Q1535-S1594 PolarHBondContact N-OG 2.88Å
1536Q33.1Very low33.7Very low132 Ų132118.4 Ų118.462%0.61770%0.7SS**  trans62.4173.8161.5-58.817042.200116.2
1537S26.8Very low34.1Very low85 Ų85115 Ų11559%0.59469%0.693SS**  cis-145.6124.6-46-97.40000111.6Q1595S1537-Q1595 PolarHBondContact OG-NE2 3.42Å
1538W26Very low34.2Very low148 Ų148113.2 Ų113.256%0.56170%0.696SS**  trans33.3126.4135.5-74.638.5000119.7T1596W1538-T1596 PolarHBondContact NE1-OG1 3.45Å
1539S25.3Very low34Very low102 Ų102110.7 Ų110.771%0.71369%0.692SS**  trans73.1176.1143.385.50000119.4
1540S26.6Very low33.6Very low94 Ų94108 Ų10866%0.65769%0.685SS**  trans6.9145.9153.110.20000121.2
1541I32.8Very low33.2Very low162 Ų162107.6 Ų107.683%0.83168%0.683SS**  cis-172.8171.2-2.9-123.1167.8000109.5
1542S29.2Very low32.8Very low103 Ų103105.2 Ų105.272%0.7268%0.679SS**  trans76.4145.7167.4-153.80000117
1543G39.5Very low32.9Very low49 Ų49110.4 Ų110.451%0.50570%0.701SS.*  cis116.6138.7-5.100000114.5
1544G40.8Very low32.6Very low83 Ų83112 Ų11286%0.85671%0.709SS**  trans149.3135.4160.500000119.6
1545G42.6Very low32.2Very low89 Ų89115.1 Ų115.192%0.91872%0.721SS**  trans97.8129.8153.900000117.1
1546G47.6Very low31.9Very low85 Ų85119.9 Ų119.988%0.87674%0.741SS**  cis153.9155.5-1.100000110.4
1547G44Very low31.5Very low70 Ų70118.8 Ų118.872%0.72275%0.748SS**  cis176.9-156.21.300000110
1548S37.1Very low31.7Very low123 Ų123122.1 Ų122.186%0.8676%0.758SS**  trans69.8159.3178.8-64.80000115.7
1549E30.8Very low32.1Very low161 Ų161123.1 Ų123.175%0.75277%0.769SS**  cis-146.2154.5-0.2-135.2-61.180.600111
1550S25.9Very low32.9Very low91 Ų91123.9 Ų123.964%0.63677%0.774SS**SBendtrans66.5122.1168.368.20000119
1551Q28.3Very low32.8Very low188 Ų188124.2 Ų124.288%0.87978%0.777SS**SBendtrans56.159.1170.8-61.6-167.6-3.700116.1
1552S26.1Very low32.5Very low97 Ų97120.6 Ų120.668%0.67876%0.762SS**  81.7129.771.877.20000114.8
1553Q34.7Very low32.4Very low183 Ų183123.3 Ų123.386%0.85577%0.769SS**  trans73.699.9-168.9-52.3-168.9-94.200111.1
1554L24.6Very low31.8Very low149 Ų149129.3 Ų129.378%0.7878%0.781SS**  cis56.612731.5-62.6163000110.7
1555D23.3Very low31.1Very low133 Ų133132.7 Ų132.771%0.71178%0.779SS**  cis-159.4-175.845.8-102.9-50.6000115.4
1556F24.2Very low30.4Very low190 Ų190133 Ų13383%0.83377%0.767SS**  trans-47.2127.9165.2-70.3-115.6000114.6
1557S24.9Very low29.4Very low110 Ų110136.3 Ų136.377%0.76976%0.759SS**  trans-175.9148.9159.6-80.80000107.9
1558L31.3Very low28.6Very low154 Ų154139.9 Ų139.981%0.80676%0.757SS**  cis69.889.716.3-119.8175.9000115.5
1559Q35.5Very low28.3Very low169 Ų169139.3 Ų139.379%0.7975%0.748SS**  trans74143.6172.7-61.2-175.5-17.600120.2
1560S40.4Very low28.2Very low118 Ų118135.3 Ų135.383%0.82574%0.738SS**  trans69.7170.8158.486.50000116.3
1561S26.1Very low28.5Very low101 Ų101138.9 Ų138.971%0.70675%0.745SS**  cis-148.1-175.37.447.70000108.7
1562V26Very low28.6Very low87 Ų87135.9 Ų135.953%0.52774%0.739SS.*  cis-149.5132.422.4-179.60000111.3K1564V1562-K1564 HydrophobicContact CG1-CB 4.21Å; V1562-K1564 HydrophobicContact CG1-CD 3.61Å; V1562-K1564 HydrophobicContact CG1-CG 3.75Å
1563N27.9Very low28.8Very low160 Ų160135.8 Ų135.886%0.85674%0.736SS**  trans-17768.1141.8-99.2-4.5000107.3
1564K25.7Very low28.6Very low174 Ų174135.4 Ų135.476%0.75773%0.734SS**  44.3104.790.8-80.8-176.8-177.9178.70113.3V1562V1562-K1564 HydrophobicContact CG1-CB 4.21Å; V1562-K1564 HydrophobicContact CG1-CD 3.61Å; V1562-K1564 HydrophobicContact CG1-CG 3.75Å
1565D26.4Very low28.9Very low154 Ų154132.8 Ų132.882%0.82473%0.727SS**  -144.4155.396-106.3-23.9000111.6
1566C27.1Very low29.1Very low97 Ų97133.1 Ų133.166%0.65573%0.728SS**  trans41.6115.3172.1-65.60000120
1567Q27.5Very low29.2Very low154 Ų154130.4 Ų130.472%0.7272%0.722SS**  73.1137.167.3-73-178.9-76.700114.5
1568E27.2Very low29.4Very low145 Ų145129.6 Ų129.668%0.67872%0.716SS**  cis-170.4167.9-12.4-125.8178.3148.500110.5
1569V31.2Very low29.2Very low110 Ų110129.2 Ų129.267%0.66772%0.715SS**  trans67.3147.2143.8166.50000120.8
1570S28.7Very low29.1Very low78 Ų78125.8 Ų125.855%0.54572%0.715SS.*  trans77.1110.8174.4-64.60000117
1571E31.2Very low28.6Very low166 Ų166129.2 Ų129.278%0.77672%0.716SS**  70.4141.959.8-61.1157.8156.800111.6
1572T31Very low29Very low124 Ų124129 Ų12976%0.76171%0.711SS**  cis-146.9164.33.6-126.70000109.9
1573P30.9Very low29.1Very low96 Ų96131.8 Ų131.862%0.62372%0.724SS**  trans-85.5-158.7-163.637.2-40.7000113.9
1574E30.2Very low29.5Very low174 Ų174128.2 Ų128.281%0.81372%0.716SS**  trans78.1158.9157.5-73.8178.3-159.500117.9
1575P29.8Very low29.8Very low95 Ų95124.1 Ų124.162%0.61771%0.706SS**  cis-143.5-168.8-49.540.9-23.7000113.5
1576L27.3Very low30.1Very low140 Ų140124 Ų12473%0.73370%0.7SS**  trans35142.9135.3-69.6159.7000121.8
1577D26.9Very low30.3Very low133 Ų133127.6 Ų127.671%0.71171%0.707SS**  trans72.6150.1137.8-77-20.8000120.3
1578S28.7Very low30.5Very low93 Ų93128.4 Ų128.465%0.6571%0.711SS**  cis-163.3154.4-6.642.40000114.5
1579N27.5Very low30.7Very low145 Ų145127 Ų12778%0.77571%0.713SS**  trans32.4105136.9-59.7-58.5000121.7
1580A34.1Very low30.7Very low97 Ų97126.7 Ų126.780%0.80271%0.707SS**  trans-159.2107.7131.200000107.8
1581K30.1Very low30.8Very low191 Ų191127 Ų12783%0.8370%0.703SS**  58.4141.555.6-117.2-177.8-176.41740112.6
1582P33.4Very low30.7Very low95 Ų95121.8 Ų121.862%0.61768%0.678SS**  cis-141.6169.36.444.9-28000117.6
1583N28.9Very low30.7Very low147 Ų147119.2 Ų119.279%0.78666%0.663SS**  trans67.5155.8149.7-61.3-1.9000118.2
1584A34.8Very low30.5Very low84 Ų84118.1 Ų118.169%0.69466%0.657SS**  cis-159.9161.52.600000110.3
1585T32.3Very low30.5Very low89 Ų89114.3 Ų114.355%0.54664%0.639SS.*  cis-170.5168.9-23.728.70000107.9
1586E32.7Very low30.4Very low152 Ų152113.9 Ų113.971%0.7164%0.635SS**  trans66.4141.5153.3-68123-153.700119.1
1587E31.5Very low30.5Very low171 Ų171113.3 Ų113.380%0.79963%0.628SS**  cis-164.6154.5-6.4-101.6164.6164.700103.9
1588E32.1Very low30.4Very low171 Ų171112.7 Ų112.780%0.79963%0.625SS**  cis-159.5169.84-108.8-170.6129.700104.3
1589V32.2Very low30.3Very low117 Ų117116.1 Ų116.171%0.70963%0.634SS**  cis-168.2151.5-26.9101.80000102.8
1590N31.3Very low30.1Very low103 Ų103114.7 Ų114.755%0.55164%0.636SS**  cis-135.3-173.522.9-133.644.8000107.4
1591N30Very low29.6Very low85 Ų85114.9 Ų114.946%0.45563%0.627SS.*  cis78.5119.214.4-73.366.5000115.2D1532 I1533D1532-N1591 VanDerWaalsContact CB-C 3.5Å; D1532-N1591 CarbonylContact O-C 3.51Å; D1532-N1591 WeakPolarHBondContact OD2-CA 3.45Å; D1532-N1591 PolarHBondContact OD2-N 3.42Å; I1533-N1591 WeakPolarHBondContact CG1-O 3.22Å
1592E29.3Very low29.4Very low55 Ų55112.5 Ų112.526%0.25762%0.616SS.*  cis-152.3148.54.1-102.7162.7-115.100119.5D1532 I1533 S1534 Q1535D1532-E1592 CarbonylContact C-O 3.08Å; D1532-E1592 WeakPolarHBondContact CA-O 3.42Å; D1532-E1592 PolarHBondContact O-N 3.28Å; D1532-E1592 VanDerWaalsContact O-N 3.09Å; D1532-E1592 WeakPolarHBondContact OD2-CA 3.23Å; D1532-E1592 PolarHBondContact OD2-N 3.1Å; I1533-E1592 CarbonylContact C-O 3.55Å; I1533-E1592 WeakPolarHBondContact CA-O 3.47Å; I1533-E1592 HydrophobicContact CB-CB 4.39Å; I1533-E1592 HydrophobicContact CG1-CB 4.49Å; I1533-E1592 HydrophobicContact CG2-CB 4.34Å; I1533-E1592 PolarHBondContact N-O 2.8Å; S1534-E1592 PolarHBondContact N-O 3.06Å; Q1535-E1592 PolarHBondContact NE2-OE2 2.69Å
1593T30Very low28.9Very low71 Ų71111 Ų11144%0.43661%0.606SS.*  trans42.6136.8141.4-2.40000127.8D1532 S1534 Q1535D1532-T1593 PolarHBondContact OD1-N 2.95Å; S1534-T1593 CarbonylContact C-O 3.41Å; S1534-T1593 VanDerWaalsContact C-O 3.27Å; S1534-T1593 WeakPolarHBondContact CA-O 3.35Å; S1534-T1593 PolarHBondContact N-O 3.37Å; Q1535-T1593 HydrophobicContact CG-CG2 4.1Å; Q1535-T1593 VanDerWaalsContact CG-OG1 3.31Å; Q1535-T1593 WeakPolarHBondContact CG-OG1 3.31Å
1594S28.1Very low28.8Very low72 Ų72109.3 Ų109.350%0.50361%0.605SS.*  98.9152.6129920000121.4S1534 Q1535S1534-S1594 PolarHBondContact O-OG 2.98Å; Q1535-S1594 VanDerWaalsContact CA-OG 3.26Å; Q1535-S1594 WeakPolarHBondContact CA-OG 3.44Å; Q1535-S1594 PolarHBondContact N-OG 2.88Å
1595Q30.2Very low28.4Very low95 Ų95109.9 Ų109.944%0.44460%0.6SS.*  cis-152.3-157-4.2-136.8-155.823.100116.4S1537S1537-Q1595 PolarHBondContact OG-NE2 3.42Å
1596T28.1Very low28Very low85 Ų85110.9 Ų110.952%0.52161%0.611SS.*  trans-113.8151.2-150.2-21.20000117.9W1538W1538-T1596 PolarHBondContact NE1-OG1 3.45Å
1597E27.8Very low27.8Very low128 Ų128108.8 Ų108.860%0.59861%0.611SS**  trans95.9141.2137.2-125.8-178.8-114.300123.4
1598N24.4Very low27.4Very low121 Ų121107.5 Ų107.565%0.64761%0.608SS**  trans87.5104.4160.5-63.9-62.4000123
1599I27.3Very low27Very low164 Ų164105.1 Ų105.184%0.84161%0.609SS**  trans43.7104.6139.6-46.1173.8000119.3
1600S23.9Very low26.9Very low115 Ų115105.2 Ų105.280%0.80461%0.605SS**  trans-167.3163.4130.2-161.20000112.4
1601V23Very low26.5Very low101 Ų101107.2 Ų107.261%0.61261%0.611SS**  trans-58.3130.3-176.2-169.90000112.7H1830V1601-H1830 PolarHBondContact O-CE1 3.36Å; V1601-H1830 VanDerWaalsContact O-CE1 3.26Å; V1601-H1830 PolarHBondContact O-NE2 2.88Å
1602K25.7Very low26.3Very low141 Ų141108 Ų10861%0.61362%0.623SS**  trans-148.696159.4-77.3-156.6161.3-170.20114.3H1830 S1831K1602-H1830 VanDerWaalsContact CA-CD2 3.44Å; K1602-H1830 WeakPolarHBondContact CA-CD2 3.5Å; K1602-H1830 HydrophobicContact CB-CB 4.19Å; K1602-H1830 HydrophobicContact CD-CB 4.35Å; K1602-H1830 HydrophobicContact CG-CB 4Å; K1602-S1831 WeakPolarHBondContact CD-OG 3.45Å; K1602-S1831 VanDerWaalsContact CE-OG 3.28Å; K1602-S1831 WeakPolarHBondContact CE-OG 3.36Å; K1602-S1831 VanDerWaalsContact NZ-CB 3.32Å; K1602-S1831 PolarHBondContact NZ-OG 2.68Å
1603T24.4Very low26.1Very low65 Ų65110.3 Ų110.340%0.39963%0.634SS.*  trans-51.7127171.4-37.80000113.1T1605 T1829 H1830T1603-T1605 PolarHBondContact O-N 2.98Å; T1603-T1829 WeakPolarHBondContact CB-O 3.49Å; T1603-T1829 PolarHBondContact OG1-O 3.43Å; T1603-H1830 PolarHBondContact N-CD2 3.19Å
1604S26.1Very low25.9Very low111 Ų111113 Ų11378%0.77665%0.654SS**  trans-89.464.4177.458.70000112.9S1606S1604-S1606 VanDerWaalsContact C-N 3.31Å; S1604-S1606 PolarHBondContact O-N 2.99Å
1605T26.2Very low25.7Very low95 Ų95116.8 Ų116.858%0.58367%0.667SS**  trans-72.284.4171.5-510000109.8T1603T1603-T1605 PolarHBondContact O-N 2.98Å
1606S24.2Very low25.8Very low110 Ų110117.9 Ų117.977%0.76968%0.682SS**  trans-91.1145.6179.852.40000112.1S1604S1604-S1606 VanDerWaalsContact C-N 3.31Å; S1604-S1606 PolarHBondContact O-N 2.99Å
1607P27.2Very low25.7Very low109 Ų109119.9 Ų119.971%0.70870%0.695SS**  trans-128.6-172.5-150.535.4-14.1000114.7
1608L23.9Very low25.5Very low143 Ų143122.6 Ų122.675%0.74971%0.705SS**  trans69.4107.5179-78.174.1000116.8
1609C24.4Very low25.6Very low122 Ų122122.8 Ų122.882%0.82471%0.71SS**SBend-125.564126.7-92.60000110.4
1610I28.9Very low25.5Very low118 Ų118121 Ų12161%0.60571%0.706SS**  trans43.4101.4154.7-46.6178.7000116.6S1612I1610-S1612 VanDerWaalsContact C-N 3.3Å; I1610-S1612 WeakPolarHBondContact CG2-OG 3.35Å; I1610-S1612 PolarHBondContact O-N 3.38Å; I1610-S1612 PolarHBondContact O-OG 3.31Å
1611E24Very low25.7Very low146 Ų146123.3 Ų123.368%0.68271%0.709SS**  trans-56.993.3154-72.5-173.2118.500109.7E1613E1611-E1613 VanDerWaalsContact C-N 3.27Å; E1611-E1613 PolarHBondContact O-N 3.14Å
1612S25.9Very low26.1Very low102 Ų102123.5 Ų123.571%0.71372%0.715SS**  trans-81.474.4-179.7-67.10000110.5I1610 C1614I1610-S1612 VanDerWaalsContact C-N 3.3Å; I1610-S1612 WeakPolarHBondContact CG2-OG 3.35Å; I1610-S1612 PolarHBondContact O-N 3.38Å; I1610-S1612 PolarHBondContact O-OG 3.31Å; S1612-C1614 PolarHBondContact O-N 3.27Å
1613E23.8Very low26.4Very low102 Ų102121 Ų12148%0.47771%0.713SS.*  trans-63.994.3168.6-66.2-161.8153.900110.9R532 E1611R532-E1613 VanDerWaalsContact CD-OE1 3.28Å; R532-E1613 WeakPolarHBondContact CD-OE1 3.21Å; R532-E1613 IonicContact CZ-OE1 2.87Å; R532-E1613 IonicContact CZ-OE2 2.69Å; R532-E1613 IonicContact NE-OE1 2.83Å; R532-E1613 PolarHBondContact NE-OE1 3.45Å; R532-E1613 IonicContact NH1-OE1 3.16Å; R532-E1613 PolarHBondContact NH1-OE1 3.27Å; R532-E1613 IonicContact NH1-OE2 3.88Å; R532-E1613 PolarHBondContact NH1-OE2 3.47Å; R532-E1613 IonicContact NH2-OE1 3.64Å; R532-E1613 PolarHBondContact NH2-OE1 2.88Å; R532-E1613 IonicContact NH2-OE2 3.35Å; R532-E1613 PolarHBondContact NH2-OE2 3.33Å; E1611-E1613 VanDerWaalsContact C-N 3.27Å; E1611-E1613 PolarHBondContact O-N 3.14Å
1614C25.6Very low26.5Very low129 Ų129122.2 Ų122.287%0.87272%0.724SS**PPolyproline II helixtrans-96.4140.4165.2-144.20000111.1S1612S1612-C1614 PolarHBondContact O-N 3.27Å
1615I24.9Very low26.6Very low150 Ų150123.2 Ų123.277%0.76973%0.725SS**PPolyproline II helixtrans-92.9140.9-162.1-72.2173.4000110.7
1616P32.1Very low26.7Very low118 Ų118124.7 Ų124.777%0.76673%0.73SS**PPolyproline II helixtrans-83.5140.3-159.931.3-37.4000115.2
1617T25.4Very low27.3Very low127 Ų127123.9 Ų123.978%0.77972%0.722SS**  trans-137.1107.7156.728.20000107
1618K24.5Very low27.4Very low186 Ų186124.2 Ų124.281%0.80972%0.724SS**  90.2121.883.1-99-167.1173.4-172.10111.3
1619T25.3Very low27.5Very low124 Ų124122.6 Ų122.676%0.76172%0.72SS**  trans31.5125147.150.70000117.7
1620V26.5Very low27.6Very low126 Ų126121.5 Ų121.576%0.76471%0.714SS**  -150.6137.469.6153.10000113
1621L27.1Very low27.6Very low164 Ų164124.1 Ų124.186%0.85972%0.723SS**  trans25.6145.7146.8-51.4172.1000123.3
1622S31.2Very low27.9Very low105 Ų105126.1 Ų126.173%0.73473%0.73SS**  trans-63.3166.5162.7-38.60000112.6
1623P32.1Very low28Very low88 Ų88129.5 Ų129.557%0.57174%0.735SS**  -129.6167.269.735.9-21.2000113.1
1624S26.6Very low28.4Very low91 Ų91130 Ų13064%0.63675%0.749SS**  cis79.676.722.5-149.30000116.1
1625V28.8Very low28.6Very low132 Ų132130.1 Ų130.180%0.874%0.741SS**  trans-140.384152.1-173.30000109.4
1626D27.5Very low28.9Very low127 Ų127130.2 Ų130.268%0.67974%0.743SS**  23.9154.2128.4-61.5-84.5000123.1
1627P38.1Very low28.9Very low93 Ų93133.3 Ų133.360%0.60474%0.744SS**  trans-98.2171.4-168.240.4-37.5000114.5
1628P29.4Very low29.2Very low115 Ų115132.5 Ų132.575%0.74774%0.735SS**  trans-92.9100.9153.433.2-26.8000111.1
1629T26.5Very low29.8Very low110 Ų110130.5 Ų130.568%0.67573%0.733SS**  trans-82.9-167.6150.740.40000109.9
1630S26.2Very low30Very low98 Ų98133.1 Ų133.169%0.68573%0.734SS**  trans68.9108.9-172.271.70000114.4
1631E28.6Very low30.3Very low173 Ų173135.3 Ų135.381%0.80874%0.736SS**  88.512053.1-72.7147.4-143.100113.1
1632K29.6Very low30.4Very low188 Ų188134.5 Ų134.582%0.81773%0.731SS**  -17088.7128.6-105.6163.6-175.8173.60112.2
1633E29.2Very low30.5Very low174 Ų174136 Ų13681%0.81373%0.729SS**  27.2108110.6-168.3174-117.300116.4
1634S32Very low30.5Very low112 Ų112140.2 Ų140.278%0.78374%0.741SS**  trans-170.788.6147.721.70000108.1
1635D29.6Very low30.7Very low132 Ų132142.5 Ų142.571%0.70675%0.746SS**  71.9114.886.8-102.2-11000115.7
1636L31.6Very low30.7Very low152 Ų152142.2 Ų142.280%0.79675%0.745SS**  trans64.9132.5142.2-59.5168000119.7
1637K32.2Very low30.8Very low183 Ų183143.7 Ų143.780%0.79675%0.748SS**  trans125.6139.9158.1-72.4-174.3161.9-154.90113.3
1638D31.9Very low30.4Very low109 Ų109145.5 Ų145.558%0.58376%0.757SS**  cis-151.5176.5-8.4-102-33.6000107.5
1639D36.6Very low30.5Very low145 Ų145146.6 Ų146.678%0.77576%0.756SS**  trans66110.3169.4-51.1-32.3000117.3
1640F29.1Very low30.5Very low179 Ų179148.7 Ų148.779%0.78576%0.763SS**  cis78104.444-77.5-82.8000117.5
1641E33.4Very low30.5Very low172 Ų172149.1 Ų149.180%0.80476%0.761SS**  trans168.3128.1143.1-95.8171.5-171.700105.6
1642I29.1Very low30.4Very low147 Ų147148.7 Ų148.775%0.75476%0.759SS**  cis64.574.728.2-43.4-176.8000114
1643I32.7Very low30.3Very low135 Ų135144.9 Ų144.969%0.69276%0.755SS**  trans-134.4140151.8-65.7-174000108.9
1644Q30.9Very low30.3Very low177 Ų177143.6 Ų143.683%0.82775%0.749SS**  trans-103.6124.6166.2-57.7172.7-73.100108.4
1645D31.8Very low30.3Very low139 Ų139143 Ų14374%0.74374%0.737SS**  trans-165.6136.5162.6-85.8-41.7000106.7
1646T29.6Very low30.3Very low126 Ų126142.9 Ų142.977%0.77374%0.736SS**  cis8728.86.2-11.80000119.5
1647E29.7Very low30.3Very low158 Ų158140 Ų14074%0.73873%0.727SS**  trans-128.9141.5148.1-65.5-170.1149.300108.6
1648T27.8Very low30.4Very low131 Ų131136.8 Ų136.880%0.80472%0.723SS**  cis74.951.727.6680000118
1649I32.2Very low30.5Very low138 Ų138138.4 Ų138.471%0.70873%0.732SS**  trans-134.1122155.3-56.7177.6000106.2
1650N26.2Very low30.4Very low155 Ų155139 Ų13983%0.82973%0.73SS**  cis83.164.812-118.341.2000117
1651T27.1Very low30.6Very low106 Ų106137.4 Ų137.465%0.6573%0.728SS**  trans-164.3122.1151.638.80000107.3
1652E27.1Very low30.5Very low164 Ų164134.4 Ų134.477%0.76673%0.726SS**  69.7131.578.2-64.6158.9-16200112
1653C27.4Very low30.9Very low108 Ų108132.3 Ų132.373%0.7372%0.722SS**  cis-119.7151.319.6-79.10000112.5
1654E29.1Very low30.7Very low147 Ų147134.8 Ų134.869%0.68773%0.727SS**  71.1140.353.6-67.9-173.413300113.7
1655L31.2Very low30.7Very low101 Ų101132.7 Ų132.753%0.52972%0.721SS.*  cis-145-177.3-0.7-106.5156.8000106.9
1656D29.6Very low30.5Very low128 Ų128132.4 Ų132.468%0.68472%0.72SS**  cis-149.516320-80.9-71.5000108.4
1657C31.7Very low30.5Very low91 Ų91132.2 Ų132.262%0.61572%0.718SS**  cis-158.1142.1-23.1-113.40000110.3
1658V34.5Very low30.5Very low116 Ų116129.9 Ų129.970%0.70372%0.72SS**  trans5.6136.8147-129.60000118.7
1659D34.1Very low30.5Very low143 Ų143130.4 Ų130.477%0.76572%0.718SS**  -164.1160.174.5-74.1-34.3000111.6
1660E34.2Very low30.4Very low158 Ų158131.9 Ų131.974%0.73873%0.726SS**  cis-153.5130.9-5.2-126.2-172153.200111.5
1661I33.1Very low30.3Very low146 Ų146128.7 Ų128.775%0.74972%0.716SS**  trans40.5140.4139.3-57174.6000122.7
1662S32.1Very low30.5Very low108 Ų108129.8 Ų129.876%0.75572%0.718SS**  trans-91.2-136.3177.6-37.60000112.7
1663P36.4Very low30.7Very low103 Ų103130.2 Ų130.267%0.66972%0.72SS**  cis-148.5173.97.845.6-24.1000120.2
1664K29.6Very low31.1Very low187 Ų187130.8 Ų130.881%0.81372%0.72SS**  trans80.8146.8131.5-98.2173.9-1781770125.2
1665L29.6Very low30.9Very low134 Ų134130.6 Ų130.670%0.70272%0.724SS**  trans92.598.6143-72.5161.9000122.3
1666N27.5Very low30.7Very low132 Ų132129.7 Ų129.771%0.70673%0.726SS**  60.5114.5114.2-67.932.4000123.3
1667T30.4Very low30.7Very low122 Ų122129.6 Ų129.675%0.74873%0.725SS**  26.1114.5123.358.80000120.8
1668S29.5Very low30.6Very low109 Ų109133.8 Ų133.876%0.76274%0.736SS**  trans-149.7118.7132.556.60000106.6
1669D27.5Very low30.2Very low143 Ų143134.7 Ų134.777%0.76574%0.736SS**  65.114463.4-76.5-44.3000114.8
1670L29.5Very low29.9Very low168 Ų168132.7 Ų132.788%0.8873%0.733SS**  trans74135.9179.1-52.5174.5000115.8
1671S26.1Very low29.5Very low89 Ų89133.1 Ų133.162%0.62274%0.735SS**  cis-160.5-163.4-13.557.10000110
1672D31Very low29.1Very low129 Ų129130.2 Ų130.269%0.6973%0.728SS**  trans73.190167.4-55.114.2000113.2
1673E30Very low28.9Very low173 Ų173133.4 Ų133.481%0.80873%0.729SS**  71.5123.792.4-74.3-173.5168.200112.2
1674T35.5Very low28.4Very low120 Ų120135.1 Ų135.174%0.73673%0.732SS**  cis-141.413420.3-27.50000106.4
1675N26.7Very low28.4Very low143 Ų143132.3 Ų132.377%0.76573%0.726SS**  40.2135.278.9-84.6-22.5000113.2
1676S26.3Very low28.5Very low81 Ų81131.6 Ų131.657%0.56673%0.729SS**  cis-170.1-168.5-2.147.30000107.9
1677N28.8Very low28.5Very low126 Ų126128.6 Ų128.667%0.67472%0.718SS**  trans74.8112.2167.7-48.4-23.5000113.2
1678Q29.3Very low28.4Very low179 Ų179132.3 Ų132.384%0.83672%0.724SS**  cis47.788.546.7-52.8-175.2-10.600112.8
1679L27.6Very low28.4Very low135 Ų135133.5 Ų133.571%0.70773%0.727SS**  trans-153120.9138.1-88.1127000105.1
1680S26.2Very low28.6Very low101 Ų101131.4 Ų131.471%0.70672%0.715SS**  cis66.468.530.394.50000114.1
1681E27.2Very low28.6Very low167 Ų167128.8 Ų128.878%0.7871%0.708SS**  trans-166.5106.8155.6-105.8159.6-150.700106.2
1682S24.9Very low28.7Very low86 Ų86132.2 Ų132.260%0.60171%0.712SS**  91.9158.955.581.10000113.6
1683F27.4Very low28.9Very low175 Ų175130.8 Ų130.877%0.76871%0.71SS**  trans71106.2-174.6-52.5-78.2000115.6
1684N26.3Very low28.7Very low138 Ų138127.9 Ų127.974%0.73871%0.708SS**  71.4121.261.4-67.2-50.1000114.9
1685L29.2Very low28.7Very low129 Ų129127.5 Ų127.568%0.67571%0.708SS**  trans26.7156.9137.5-90.479.9000121.7A2235L1685-A2235 HydrophobicContact CD1-CB 4.17Å
1686P32.4Very low28.8Very low119 Ų119128.4 Ų128.477%0.77371%0.705SS**  cis-137178.121.139.2-19.9000116.9
1687S26.9Very low28.9Very low69 Ų69129.6 Ų129.648%0.48371%0.705SS.*  trans-93.6-175.8170.7-17.90000113.3
1688K28.6Very low29.2Very low200 Ų200131.5 Ų131.587%0.8771%0.71SS**  trans94.7149.1174.3-52.5165.7-175.1172.80113.1
1689T29.1Very low29.1Very low134 Ų134128.5 Ų128.582%0.82270%0.7SS**  cis-149.2152.316.2-28.40000113.7
1690L31.3Very low29.3Very low98 Ų98128.9 Ų128.951%0.51370%0.698SS.*  trans-61.9166.2155.3-105.165.3000111.2F2115L1690-F2115 HydrophobicContact CD1-CD2 3.86Å; L1690-F2115 HydrophobicContact CD1-CE2 3.66Å; L1690-F2115 HydrophobicContact CD2-CE2 3.8Å; L1690-F2115 HydrophobicContact CD2-CZ 4.41Å; L1690-F2115 HydrophobicContact CG-CD2 4.3Å; L1690-F2115 HydrophobicContact CG-CE2 3.58Å; L1690-F2115 HydrophobicContact CG-CZ 4.09Å
1691P30.2Very low29.4Very low114 Ų114131.9 Ų131.974%0.7470%0.698SS**  cis-132.1170.241.526.8-1.5000114.5
1692K28.4Very low29.5Very low160 Ų160129.8 Ų129.870%0.69670%0.696SS**  57.1147.962.2-108.8-164.2-178.7179.90113.5
1693P34.4Very low29.6Very low100 Ų100130.8 Ų130.865%0.64970%0.703SS**  cis-141.6-175-10.943.3-25.9000116.2
1694S26.1Very low30.2Very low111 Ų111127.7 Ų127.778%0.77670%0.701SS**  trans86.9154.214276.30000119.8
1695P35.8Very low30.7Very low112 Ų112127 Ų12773%0.72770%0.704SS**  trans-121.6-176.6-153.742.8-29.7000113.5
1696K27.8Very low30.8Very low162 Ų162126.1 Ų126.170%0.70470%0.704SS**  178.7157.1122.7-104.8173.6147.7-74.10115.7
1697D29.9Very low30.6Very low106 Ų106127.3 Ų127.357%0.56770%0.703SS**  trans62.1124.9141.6-58.6-12000121.4
1698E33.4Very low30.9Very low166 Ų166128.4 Ų128.478%0.77672%0.716SS**  trans75.4145.3140.9-69.1-165.1-12500120.3
1699N28.7Very low30.9Very low117 Ų117124 Ų12463%0.62671%0.705SS**  cis-164.1164.4-16.4-129.4-32.1000110
1700E30.8Very low31Very low143 Ų143123.3 Ų123.367%0.66870%0.701SS**  trans63.4154.5152.6-70.7-161.3166.700119.9
1701K28.1Very low31.1Very low163 Ų163125 Ų12571%0.70971%0.709SS**  cis-167.3174.4-19.1-121.7172.9-167.2159.80111.3
1702V30.8Very low31.5Very low123 Ų123124.4 Ų124.475%0.74571%0.706SS**  trans79.689.9150.4170.40000120.2
1703S27.2Very low31.7Very low107 Ų107121.9 Ų121.975%0.74871%0.706SS**  79135.4115.7-53.50000124.3
1704P39.9Very low31.5Very low111 Ų111122.9 Ų122.972%0.72170%0.704SS**  trans-106.2178.4168.542.4-35.5000114
1705P36.8Very low31.6Very low122 Ų122121.9 Ų121.979%0.79269%0.689SS**  trans-141163.9135.237-23.7000113.8
1706T29.6Very low31.2Very low111 Ų111119 Ų11968%0.68167%0.67SS**  cis147.7110.2-15.8-83.40000108.9
1707I30Very low31.2Very low145 Ų145116.8 Ų116.874%0.74468%0.675SS**  trans68.5125.4146.5-64.5174.9000122.7V1709I1707-V1709 HydrophobicContact CG2-CG2 3.77Å
1708A32Very low31.3Very low92 Ų92119.9 Ų119.976%0.7668%0.679SS**  -171.911612200000109.3
1709V29.4Very low31.2Very low107 Ų107117.5 Ų117.565%0.64868%0.678SS**  71.1123.462.8177.90000110.7I1707I1707-V1709 HydrophobicContact CG2-CG2 3.77Å
1710T30Very low31.2Very low119 Ų119118.1 Ų118.173%0.7368%0.681SS**  cis-150.1139.746.9-290000110.2
1711I34.6Very low31.1Very low134 Ų134118.7 Ų118.769%0.68769%0.688SS**  72.7141.550.6-78167.7000113
1712P37.1Very low31.1Very low102 Ų102118.9 Ų118.966%0.66269%0.691SS**  cis-136.9-133.7-23.240.9-18.5000110
1713P34.2Very low30.8Very low107 Ų107117.3 Ų117.370%0.69568%0.682SS**  cis-129.9-179.1-29.733.5-14.5000115.3
1714I28.9Very low30.7Very low121 Ų121115.2 Ų115.262%0.62166%0.662SS**  cis-178.2155.7-39.4-153.8164.5000108.1M2001I1714-M2001 WeakPolarHBondContact O-CE 3.39Å
1715L28.7Very low30Very low89 Ų89114 Ų11447%0.46666%0.657SS.*  trans66.5165.6169.9-63.8174.9000118.5M2001 P2003L1715-M2001 HydrophobicContact CB-CB 4.03Å; L1715-M2001 HydrophobicContact CB-CE 4.43Å; L1715-M2001 HydrophobicContact CB-CG 3.8Å; L1715-M2001 HydrophobicContact CB-SD 3.9Å; L1715-M2001 HydrophobicContact CD1-CB 4.41Å; L1715-P2003 HydrophobicContact CD2-CG 3.76Å
1716T28Very low29.4Very low53 Ų53111.2 Ų111.233%0.32564%0.64SS.*  -164.6164.8-58.925.30000110.4E2002 P2003T1716-E2002 WeakPolarHBondContact OG1-CA 3.44Å; T1716-E2002 PolarHBondContact OG1-N 2.83Å; T1716-P2003 HydrophobicContact CG2-CB 3.89Å; T1716-P2003 HydrophobicContact CG2-CG 4.18Å
1717S28.1Very low29.5Very low114 Ų114112.6 Ų112.680%0.79765%0.651SS**  trans-164.8133.1170.3-71.50000114.9E2002S1717-E2002 VanDerWaalsContact C-CD 3.48Å; S1717-E2002 VanDerWaalsContact CA-CD 3.41Å; S1717-E2002 WeakPolarHBondContact CA-OE2 3.38Å; S1717-E2002 PolarHBondContact N-OE2 3.4Å
1718R32.3Very low29.4Very low172 Ų172111.4 Ų111.465%0.64965%0.645SS**  trans-151.6177.8171.3-116.3-170.5172.2179.8-0.6108.4E2002R1718-E2002 WeakPolarHBondContact CA-OE1 3.41Å; R1718-E2002 WeakPolarHBondContact CB-OE1 3.15Å; R1718-E2002 PolarHBondContact N-OE1 3.27Å; R1718-E2002 PolarHBondContact N-OE2 2.98Å
1719P30.5Very low29.3Very low116 Ų116114.5 Ų114.575%0.75365%0.648SS**  cis-120.7-179.718.943.1-30.3000115.8
1720N29.2Very low29.2Very low130 Ų130121.5 Ų121.570%0.69566%0.662SS**  trans-78.6147.1165.9-76-9000111.3
1721N27.5Very low29Very low155 Ų155118.6 Ų118.683%0.82966%0.656SS**  trans-166.3-179.5131.6-108.5-22.8000112.5
1722H29.3Very low28.8Very low166 Ų166114.7 Ų114.777%0.76964%0.641SS**  trans-75.4175.7-166.2-72.8-115000115.4
1723T24.7Very low29Very low91 Ų91112.6 Ų112.656%0.55863%0.628SS**  trans69.3143.2173.954.20000120T1850T1723-T1850 HydrophobicContact CG2-CG2 4.09Å
1724L24.8Very low29.1Very low62 Ų62114.1 Ų114.133%0.32562%0.62SS.*  trans60.9166.8158.7-95171.9000122.7T1850 N1851 R1852L1724-T1850 HydrophobicContact CD1-CG2 3.8Å; L1724-T1850 HydrophobicContact CG-CG2 3.78Å; L1724-N1851 VanDerWaalsContact CA-CG 3.44Å; L1724-N1851 WeakPolarHBondContact CA-OD1 3.38Å; L1724-N1851 HydrophobicContact CD2-CB 4.39Å; L1724-N1851 HydrophobicContact CG-CB 4.4Å; L1724-N1851 PolarHBondContact N-ND2 2.96Å; L1724-N1851 PolarHBondContact N-OD1 3.37Å; L1724-R1852 PolarHBondContact O-NH1 2.98Å; L1724-R1852 VanDerWaalsContact O-NH1 3.1Å; L1724-R1852 PolarHBondContact O-NH2 2.94Å
1725S25.3Very low29.6Very low86 Ų86111.5 Ų111.560%0.60162%0.617SS**  trans61.284163.2-58.10000116R1852S1725-R1852 PolarHBondContact O-NH2 3.5Å; S1725-R1852 VanDerWaalsContact O-NH2 3.13Å
1726S24.3Very low30.5Very low64 Ų64112.6 Ų112.645%0.44862%0.62SS.*  -37.1144.8129.144.40000113.3L1728S1726-L1728 PolarHBondContact O-N 2.9Å; S1726-L1728 VanDerWaalsContact OG-CD1 3.23Å; S1726-L1728 WeakPolarHBondContact OG-CD1 3.13Å
1727P31.4Very low31.7Very low139 Ų139115.6 Ų115.690%0.90363%0.628SS**  trans-70.171.7150.532.4-32.3000108.6
1728L27.2Very low33.3Very low121 Ų121114.9 Ų114.963%0.63461%0.613SS**  trans-66133.7176.4-145.8103.9000108.4S1726 R1730S1726-L1728 PolarHBondContact O-N 2.9Å; S1726-L1728 VanDerWaalsContact OG-CD1 3.23Å; S1726-L1728 WeakPolarHBondContact OG-CD1 3.13Å; L1728-R1730 PolarHBondContact O-N 2.99Å
1729I30.6Very low34.3Very low157 Ų157111.7 Ų111.781%0.80561%0.609SS**SBendtrans37.362.1150.2-50171000114.9
1730R26.8Very low35.8Very low254 Ų254110.4 Ų110.496%0.95860%0.598SS**SBendtrans-147.169.6153.9-144.9174.9-161.3-171.86113.9L1728L1728-R1730 PolarHBondContact O-N 2.99Å
1731G26Very low37.9Very low58 Ų58109 Ų10960%0.59859%0.59SS**  trans155.486.6176.700000110.2S1733G1731-S1733 PolarHBondContact O-N 3.45Å
1732S30.9Very low39.8Very low52 Ų52103.1 Ų103.136%0.36457%0.567SS.*  trans-44.5129.8151.738.60000107.7K1737S1732-K1737 WeakPolarHBondContact OG-CD 3.44Å; S1732-K1737 WeakPolarHBondContact OG-CG 3.34Å
1733S39.8Very low41.6Very low58 Ų58100.6 Ų100.641%0.40656%0.558SS.*  trans-52.8152.4-173.675.60000109.7G1731 A1735 Q1736 K1737G1731-S1733 PolarHBondContact O-N 3.45Å; S1733-A1735 CarbonylContact O-C 3.39Å; S1733-A1735 PolarHBondContact O-N 2.94Å; S1733-Q1736 CarbonylContact O-C 3.59Å; S1733-Q1736 WeakPolarHBondContact O-CA 3.31Å; S1733-Q1736 PolarHBondContact O-N 3.01Å; S1733-Q1736 PolarHBondContact OG-N 2.85Å; S1733-K1737 PolarHBondContact O-N 2.88Å
1734R36.3Very low43.9Very low138 Ų138101.4 Ų101.452%0.52156%0.556SS.*Hα-helixtrans-55.5-28.8-178.6-178.4174.8166.3164.9-0.7111.9M1738 Q1813R1734-M1738 HydrophobicContact CG-CE 4.4Å; R1734-M1738 HydrophobicContact CG-CG 4.31Å; R1734-M1738 HydrophobicContact CG-SD 4.09Å; R1734-M1738 PolarHBondContact NE-SD 3.41Å; R1734-M1738 VanDerWaalsContact NE-SD 3.43Å; R1734-M1738 WeakPolarHBondContact O-CB 3.42Å; R1734-M1738 WeakPolarHBondContact O-CG 3.41Å; R1734-M1738 PolarHBondContact O-N 3.08Å; R1734-Q1813 VanDerWaalsContact NH1-CD 3.32Å; R1734-Q1813 VanDerWaalsContact NH2-CD 3.32Å
1735A40.2Very low46.2Very low67 Ų67105 Ų10555%0.55457%0.569SS**Hα-helixtrans-62.3-63.7165.800000111.7S1733 K1737 M1738 L1739S1733-A1735 CarbonylContact O-C 3.39Å; S1733-A1735 PolarHBondContact O-N 2.94Å; A1735-K1737 PolarHBondContact O-N 2.91Å; A1735-M1738 CarbonylContact O-C 3.46Å; A1735-M1738 PolarHBondContact O-N 3.08Å; A1735-L1739 VanDerWaalsContact O-CB 3.29Å; A1735-L1739 WeakPolarHBondContact O-CB 3.43Å; A1735-L1739 PolarHBondContact O-N 3.38Å
1736Q46.7Very low47.9Very low112 Ų112103.1 Ų103.152%0.52356%0.558SS.*Hα-helixtrans-53-31.8177.3-75.4172.6-40.100114S1733 L1739 V1740S1733-Q1736 CarbonylContact O-C 3.59Å; S1733-Q1736 WeakPolarHBondContact O-CA 3.31Å; S1733-Q1736 PolarHBondContact O-N 3.01Å; S1733-Q1736 PolarHBondContact OG-N 2.85Å; Q1736-L1739 PolarHBondContact O-N 3.29Å; Q1736-V1740 WeakPolarHBondContact O-CB 3.27Å; Q1736-V1740 VanDerWaalsContact O-CG2 3.3Å; Q1736-V1740 WeakPolarHBondContact O-CG2 3.32Å; Q1736-V1740 PolarHBondContact O-N 3.34Å
1737K54.4Low49.3Very low116 Ų116103 Ų10350%0.50456%0.561SS.*Hα-helixtrans-81.8-30.8179.6-147.5165.3-162.7176.20112.5S1732 S1733 A1735 L1739 L1741S1732-K1737 WeakPolarHBondContact OG-CD 3.44Å; S1732-K1737 WeakPolarHBondContact OG-CG 3.34Å; S1733-K1737 PolarHBondContact O-N 2.88Å; A1735-K1737 PolarHBondContact O-N 2.91Å; K1737-L1739 VanDerWaalsContact C-N 3.34Å; K1737-L1741 WeakPolarHBondContact O-CB 3.42Å; K1737-L1741 WeakPolarHBondContact O-CD1 3.43Å; K1737-L1741 WeakPolarHBondContact O-CG 3.44Å; K1737-L1741 PolarHBondContact O-N 2.98Å
1738M60.9Low50.7Low98 Ų98100.8 Ų100.848%0.48354%0.539SS..Hα-helixtrans-77.9-19.2165.5-68.2-175.4-32.500112.6R1734 A1735 G1742R1734-M1738 HydrophobicContact CG-CE 4.4Å; R1734-M1738 HydrophobicContact CG-CG 4.31Å; R1734-M1738 HydrophobicContact CG-SD 4.09Å; R1734-M1738 PolarHBondContact NE-SD 3.41Å; R1734-M1738 VanDerWaalsContact NE-SD 3.43Å; R1734-M1738 WeakPolarHBondContact O-CB 3.42Å; R1734-M1738 WeakPolarHBondContact O-CG 3.41Å; R1734-M1738 PolarHBondContact O-N 3.08Å; A1735-M1738 CarbonylContact O-C 3.46Å; A1735-M1738 PolarHBondContact O-N 3.08Å; M1738-G1742 WeakPolarHBondContact O-CA 3.14Å; M1738-G1742 PolarHBondContact O-N 3.46Å
1739L52.6Low52.4Low106 Ų106100.3 Ų100.356%0.55553%0.533SS*.Hα-helixtrans-83.7-41174.9-163.7158.8000110.3A1735 Q1736 K1737 G1742 L1743A1735-L1739 VanDerWaalsContact O-CB 3.29Å; A1735-L1739 WeakPolarHBondContact O-CB 3.43Å; A1735-L1739 PolarHBondContact O-N 3.38Å; Q1736-L1739 PolarHBondContact O-N 3.29Å; K1737-L1739 VanDerWaalsContact C-N 3.34Å; L1739-G1742 CarbonylContact O-C 3.56Å; L1739-G1742 WeakPolarHBondContact O-CA 3.45Å; L1739-G1742 PolarHBondContact O-N 3.11Å; L1739-L1743 HydrophobicContact CD2-CD1 3.63Å; L1739-L1743 HydrophobicContact CD2-CG 4.08Å; L1739-L1743 WeakPolarHBondContact O-CB 3.22Å; L1739-L1743 WeakPolarHBondContact O-CG 3.47Å; L1739-L1743 PolarHBondContact O-N 3.44Å
1740V63.9Low53.3Low88 Ų8896.1 Ų96.153%0.53352%0.515SS..Hα-helixtrans-67-45.2168.3169.30000110.9Q1736 G1742 Q1744Q1736-V1740 WeakPolarHBondContact O-CB 3.27Å; Q1736-V1740 VanDerWaalsContact O-CG2 3.3Å; Q1736-V1740 WeakPolarHBondContact O-CG2 3.32Å; Q1736-V1740 PolarHBondContact O-N 3.34Å; V1740-G1742 PolarHBondContact O-N 3.38Å; V1740-Q1744 WeakPolarHBondContact O-CB 3.17Å; V1740-Q1744 PolarHBondContact O-N 2.91Å
1741L72.3Confident54.1Low100 Ų10086.6 Ų86.652%0.52449%0.491SS..Hα-helixtrans-66.9-21.1170.5-72.9169.1000112.7K1737 K1745K1737-L1741 WeakPolarHBondContact O-CB 3.42Å; K1737-L1741 WeakPolarHBondContact O-CD1 3.43Å; K1737-L1741 WeakPolarHBondContact O-CG 3.44Å; K1737-L1741 PolarHBondContact O-N 2.98Å; L1741-K1745 VanDerWaalsContact O-CB 3.23Å; L1741-K1745 WeakPolarHBondContact O-CB 3.3Å; L1741-K1745 PolarHBondContact O-N 2.68Å
1742G67.7Low55.2Low33 Ų3391.8 Ų91.834%0.3449%0.492SS..Hα-helixtrans-78.6-49178.300000111.4M1738 L1739 V1740 K1745 A1746M1738-G1742 WeakPolarHBondContact O-CA 3.14Å; M1738-G1742 PolarHBondContact O-N 3.46Å; L1739-G1742 CarbonylContact O-C 3.56Å; L1739-G1742 WeakPolarHBondContact O-CA 3.45Å; L1739-G1742 PolarHBondContact O-N 3.11Å; V1740-G1742 PolarHBondContact O-N 3.38Å; G1742-K1745 CarbonylContact O-C 3.55Å; G1742-K1745 PolarHBondContact O-N 2.8Å; G1742-A1746 WeakPolarHBondContact O-CB 3.19Å; G1742-A1746 PolarHBondContact O-N 2.78Å
1743L67.7Low55.9Low113 Ų11396.5 Ų96.559%0.59251%0.509SS*.Hα-helixtrans-64.2-39.6169.8-70.5174.8000111.2L1739 K1745 A1746 A1747L1739-L1743 HydrophobicContact CD2-CD1 3.63Å; L1739-L1743 HydrophobicContact CD2-CG 4.08Å; L1739-L1743 WeakPolarHBondContact O-CB 3.22Å; L1739-L1743 WeakPolarHBondContact O-CG 3.47Å; L1739-L1743 PolarHBondContact O-N 3.44Å; L1743-K1745 VanDerWaalsContact C-N 3.32Å; L1743-K1745 PolarHBondContact O-N 3.05Å; L1743-A1746 PolarHBondContact O-N 3.31Å; L1743-A1747 VanDerWaalsContact O-CB 3.24Å; L1743-A1747 WeakPolarHBondContact O-CB 3.33Å; L1743-A1747 PolarHBondContact O-N 3.37Å
1744Q73.1Confident55.8Low107 Ų107102.3 Ų102.350%0.552%0.522SS..Hα-helixtrans-66.8-33.8173.3-169.817826.800111.5V1740 Q1748V1740-Q1744 WeakPolarHBondContact O-CB 3.17Å; V1740-Q1744 PolarHBondContact O-N 2.91Å; Q1744-Q1748 VanDerWaalsContact O-CB 3.24Å; Q1744-Q1748 WeakPolarHBondContact O-CB 3.41Å; Q1744-Q1748 WeakPolarHBondContact O-CG 3.15Å; Q1744-Q1748 PolarHBondContact O-N 3.04Å
1745K73.1Confident55.6Low138 Ų138100 Ų10060%0.653%0.527SS*.Hα-helixtrans-72.2-37.1169.4-97.7-163.5164.3-159.70113.2L1741 G1742 L1743 Q1748 Q1749L1741-K1745 VanDerWaalsContact O-CB 3.23Å; L1741-K1745 WeakPolarHBondContact O-CB 3.3Å; L1741-K1745 PolarHBondContact O-N 2.68Å; G1742-K1745 CarbonylContact O-C 3.55Å; G1742-K1745 PolarHBondContact O-N 2.8Å; L1743-K1745 VanDerWaalsContact C-N 3.32Å; L1743-K1745 PolarHBondContact O-N 3.05Å; K1745-Q1748 CarbonylContact O-C 3.57Å; K1745-Q1748 PolarHBondContact O-N 3.19Å; K1745-Q1749 VanDerWaalsContact O-CB 3.3Å; K1745-Q1749 WeakPolarHBondContact O-CB 3.47Å; K1745-Q1749 WeakPolarHBondContact O-CG 3.23Å; K1745-Q1749 PolarHBondContact O-N 3.08Å
1746A60.1Low55.2Low46 Ų46101 Ų10138%0.3853%0.53SS..Hα-helixtrans-64.2-52.6176.100000108.9G1742 L1743 Q1748 Q1749 T1750G1742-A1746 WeakPolarHBondContact O-CB 3.19Å; G1742-A1746 PolarHBondContact O-N 2.78Å; L1743-A1746 PolarHBondContact O-N 3.31Å; A1746-Q1748 VanDerWaalsContact C-N 3.35Å; A1746-Q1748 PolarHBondContact O-N 3.31Å; A1746-Q1749 CarbonylContact O-C 3.58Å; A1746-Q1749 WeakPolarHBondContact O-CA 3.38Å; A1746-Q1749 PolarHBondContact O-N 2.84Å; A1746-T1750 PolarHBondContact O-N 3.19Å; A1746-T1750 PolarHBondContact O-OG1 3.36Å
1747A53Low54.4Low61 Ų61101.2 Ų101.250%0.50454%0.544SS..Hα-helixtrans-56.5-42.7171.900000112.6L1743 Q1749 T1750 A1751L1743-A1747 VanDerWaalsContact O-CB 3.24Å; L1743-A1747 WeakPolarHBondContact O-CB 3.33Å; L1743-A1747 PolarHBondContact O-N 3.37Å; A1747-Q1749 VanDerWaalsContact C-N 3.34Å; A1747-Q1749 PolarHBondContact O-N 2.87Å; A1747-T1750 PolarHBondContact O-N 2.75Å; A1747-A1751 WeakPolarHBondContact O-CB 3.32Å; A1747-A1751 PolarHBondContact O-N 3.19Å
1748Q62.3Low53.1Low93 Ų9398.8 Ų98.844%0.43555%0.552SS.*Hα-helixtrans-68.4-28172.8-81.9-168.1-15.900113.8Q1744 K1745 A1746 R1752Q1744-Q1748 VanDerWaalsContact O-CB 3.24Å; Q1744-Q1748 WeakPolarHBondContact O-CB 3.41Å; Q1744-Q1748 WeakPolarHBondContact O-CG 3.15Å; Q1744-Q1748 PolarHBondContact O-N 3.04Å; K1745-Q1748 CarbonylContact O-C 3.57Å; K1745-Q1748 PolarHBondContact O-N 3.19Å; A1746-Q1748 VanDerWaalsContact C-N 3.35Å; A1746-Q1748 PolarHBondContact O-N 3.31Å; Q1748-R1752 WeakPolarHBondContact O-CB 3.41Å; Q1748-R1752 WeakPolarHBondContact O-CD 3.34Å; Q1748-R1752 WeakPolarHBondContact O-CG 3.33Å; Q1748-R1752 PolarHBondContact O-N 2.75Å
1749Q61.4Low51.7Low111 Ų111101.2 Ų101.252%0.51957%0.566SS.*Hα-helixtrans-77.3-42.1173.6-79.5-176-114.800110.8K1745 A1746 A1747 A1751 R1752 Q1753K1745-Q1749 VanDerWaalsContact O-CB 3.3Å; K1745-Q1749 WeakPolarHBondContact O-CB 3.47Å; K1745-Q1749 WeakPolarHBondContact O-CG 3.23Å; K1745-Q1749 PolarHBondContact O-N 3.08Å; A1746-Q1749 CarbonylContact O-C 3.58Å; A1746-Q1749 WeakPolarHBondContact O-CA 3.38Å; A1746-Q1749 PolarHBondContact O-N 2.84Å; A1747-Q1749 VanDerWaalsContact C-N 3.34Å; A1747-Q1749 PolarHBondContact O-N 2.87Å; Q1749-A1751 PolarHBondContact O-N 3.49Å; Q1749-R1752 CarbonylContact O-C 3.45Å; Q1749-R1752 PolarHBondContact O-N 2.97Å; Q1749-Q1753 VanDerWaalsContact O-CB 3.23Å; Q1749-Q1753 WeakPolarHBondContact O-CB 3.4Å; Q1749-Q1753 VanDerWaalsContact O-CG 3.27Å; Q1749-Q1753 WeakPolarHBondContact O-CG 3.28Å; Q1749-Q1753 PolarHBondContact O-N 2.68Å
1750T51.2Low50.6Low70 Ų70104.8 Ų104.843%0.42958%0.58SS.*Hα-helixtrans-58.6-46.6170.3-53.20000110.6A1746 A1747 R1752 Q1753 R1754A1746-T1750 PolarHBondContact O-N 3.19Å; A1746-T1750 PolarHBondContact O-OG1 3.36Å; A1747-T1750 PolarHBondContact O-N 2.75Å; T1750-R1752 PolarHBondContact O-N 3.11Å; T1750-Q1753 PolarHBondContact O-N 3.08Å; T1750-R1754 VanDerWaalsContact O-CB 3.28Å; T1750-R1754 WeakPolarHBondContact O-CB 3.43Å; T1750-R1754 VanDerWaalsContact O-CG 3.23Å; T1750-R1754 WeakPolarHBondContact O-CG 3.46Å; T1750-R1754 PolarHBondContact O-N 3.47Å
1751A41.7Very low49.1Very low54 Ų54108.2 Ų108.245%0.44660%0.595SS.*Hα-helixtrans-67-34.3176.600000113.6A1747 Q1749 S1755A1747-A1751 WeakPolarHBondContact O-CB 3.32Å; A1747-A1751 PolarHBondContact O-N 3.19Å; Q1749-A1751 PolarHBondContact O-N 3.49Å; A1751-S1755 PolarHBondContact O-N 2.93Å; A1751-S1755 PolarHBondContact O-OG 3.35Å
1752R49.1Very low46.9Very low166 Ų166108.2 Ų108.263%0.62660%0.604SS**Hα-helixtrans-85.3-20.6178-69.7171-178.2-139.2-3.4114.1Q1748 Q1749 T1750 S1755Q1748-R1752 WeakPolarHBondContact O-CB 3.41Å; Q1748-R1752 WeakPolarHBondContact O-CD 3.34Å; Q1748-R1752 WeakPolarHBondContact O-CG 3.33Å; Q1748-R1752 PolarHBondContact O-N 2.75Å; Q1749-R1752 CarbonylContact O-C 3.45Å; Q1749-R1752 PolarHBondContact O-N 2.97Å; T1750-R1752 PolarHBondContact O-N 3.11Å; R1752-S1755 WeakPolarHBondContact CA-OG 3.14Å; R1752-S1755 CarbonylContact O-C 3.47Å; R1752-S1755 PolarHBondContact O-N 2.83Å
1753Q46.1Very low44.9Very low152 Ų152110 Ų11071%0.7162%0.622SS**Hα-helixtrans-82.5-28167.1-70.8178-58.400111Q1749 T1750 S1755Q1749-Q1753 VanDerWaalsContact O-CB 3.23Å; Q1749-Q1753 WeakPolarHBondContact O-CB 3.4Å; Q1749-Q1753 VanDerWaalsContact O-CG 3.27Å; Q1749-Q1753 WeakPolarHBondContact O-CG 3.28Å; Q1749-Q1753 PolarHBondContact O-N 2.68Å; T1750-Q1753 PolarHBondContact O-N 3.08Å; Q1753-S1755 PolarHBondContact O-N 2.89Å
1754R38.6Very low43.1Very low179 Ų179111.5 Ų111.568%0.67563%0.631SS**THydrogen-bonded Turntrans-71.4-3.5162.7-72.8178-177.9-172.82.6113.6T1750 E1833T1750-R1754 VanDerWaalsContact O-CB 3.28Å; T1750-R1754 WeakPolarHBondContact O-CB 3.43Å; T1750-R1754 VanDerWaalsContact O-CG 3.23Å; T1750-R1754 WeakPolarHBondContact O-CG 3.46Å; T1750-R1754 PolarHBondContact O-N 3.47Å; R1754-E1833 IonicContact NH1-OE1 2.96Å; R1754-E1833 PolarHBondContact NH1-OE1 3.25Å
1755S32.1Very low41.2Very low90 Ų90112.8 Ų112.863%0.62964%0.64SS**THydrogen-bonded Turntrans-135.848.3178.855.10000114.3A1751 R1752 Q1753A1751-S1755 PolarHBondContact O-N 2.93Å; A1751-S1755 PolarHBondContact O-OG 3.35Å; R1752-S1755 WeakPolarHBondContact CA-OG 3.14Å; R1752-S1755 CarbonylContact O-C 3.47Å; R1752-S1755 PolarHBondContact O-N 2.83Å; Q1753-S1755 PolarHBondContact O-N 2.89Å
1756S31.4Very low39.1Very low89 Ų89111.5 Ų111.562%0.62265%0.649SS**SBendtrans-154.576.5170.2-176.90000113.9
1757S30Very low37.7Very low116 Ų116114.9 Ų114.981%0.81166%0.66SS**  trans38.8123.9148.163.90000121.6
1758G27.8Very low36.5Very low65 Ų65117.2 Ų117.267%0.6766%0.664SS**  107.8119.5116.100000119.6
1759D30.2Very low34.9Very low148 Ų148118.6 Ų118.679%0.79167%0.674SS**  74.978.7129.9-49.6-16.8000121.3
1760H30.3Very low33.3Very low182 Ų182117.8 Ų117.884%0.84368%0.681SS**  62.2131.5127.4-67.6-71.4000123.9
1761N32.6Very low32.4Very low159 Ų159120.1 Ų120.185%0.8570%0.697SS**  trans-68.7152.7167.5-65.8-39.5000114.2
1762S25.2Very low31.9Very low100 Ų100123.5 Ų123.570%0.69971%0.712SS**  179.4157.9128.440.50000112
1763G26.3Very low31.2Very low71 Ų71123.7 Ų123.773%0.73273%0.725SS**  trans69.581.3173.600000114.1
1764N29.3Very low30.7Very low144 Ų144123 Ų12377%0.7773%0.731SS**  cis62.9122.539.4-154.237.9000114.2
1765L33.8Very low30.7Very low134 Ų134123.4 Ų123.470%0.70274%0.741SS**  trans36.8114.1159.7-65168.4000119.9L1767L1765-L1767 HydrophobicContact CB-CD1 4.38Å; L1765-L1767 HydrophobicContact CD2-CD1 4.28Å
1766S28.4Very low31Very low111 Ų111129.9 Ų129.978%0.77675%0.752SS**  -127129.6113.8-1710000105.6
1767L31.7Very low31.5Very low117 Ų117134.6 Ų134.661%0.61376%0.761SS**  52.8136.267.1-85.971.8000111L1765L1765-L1767 HydrophobicContact CB-CD1 4.38Å; L1765-L1767 HydrophobicContact CD2-CD1 4.28Å
1768D27.4Very low31.9Very low111 Ų111134.2 Ų134.259%0.59476%0.758SS**  cis-162.4169.929.9-146.1-6.5000115.3
1769N28.5Very low31.9Very low122 Ų122138.8 Ų138.865%0.65276%0.764SS**  trans66.8144.4150-73.1-53.6000120
1770S27.7Very low31.8Very low94 Ų94138 Ų13866%0.65776%0.759SS**  cis175.8-158.5-16.8-97.20000103.5
1771P32.4Very low31.7Very low118 Ų118136 Ų13677%0.76675%0.754SS**  -111-175.5-117.312.714.4000113.9
1772T31.4Very low32.5Very low125 Ų125135.7 Ų135.777%0.76775%0.752SS**  trans-30.8134.5175.449.70000119.2
1773L33.8Very low32.5Very low171 Ų171138.7 Ų138.790%0.89576%0.759SS**  trans79.2162.7145.7-72.1163.8000120.6
1774T34.9Very low32.5Very low137 Ų137139.5 Ų139.584%0.8476%0.759SS**  trans-138150.9-159.1-42.30000114
1775E38.9Very low33Very low188 Ų188138 Ų13888%0.87976%0.76SS**  trans79.2178.3165.5-109.3-171.9-164.500121.6
1776R40Very low33.4Very low226 Ų226137.2 Ų137.285%0.85376%0.763SS**  trans-139148.3-131.5-95.1177.2169.6149.8-2.5117.4
1777K41.2Very low33.3Very low188 Ų188137.2 Ų137.282%0.81776%0.763SS**  trans78.697.8154.1-72.8178.8175.6-179.70120.3
1778S38Very low33.3Very low108 Ų108143 Ų14376%0.75578%0.777SS**  50.9125.5129.562.50000119.8
1779M28.9Very low33.2Very low160 Ų160145 Ų14579%0.78879%0.786SS**  cis-148139.136.8-71.8174.558.900114.7
1780L27.7Very low33Very low131 Ų131144.6 Ų144.669%0.68679%0.789SS**SBendtrans59.1131.1148.6-75.5148.8000120.9
1781N28.6Very low32.9Very low140 Ų140148.4 Ų148.475%0.74979%0.794SS**SBendtrans43.286.6173.8-64.76.5000118.8
1782L47.6Very low32.5Very low153 Ų153148.3 Ų148.380%0.80179%0.791SS**  cis-155.452.7-48.6-114.6153.8000108.3
1783L25.3Very low32.3Very low163 Ų163146.7 Ų146.785%0.85378%0.783SS**  trans-57.7164.5172.1-68153.4000112.2
1784A26.4Very low31.9Very low89 Ų89143.7 Ų143.774%0.73678%0.776SS**  cis-170-174.4-14.300000109.7
1785S40.4Very low31.5Very low113 Ų113143.6 Ų143.679%0.7978%0.775SS**  trans-71.3-169.6171.3-37.30000112.9
1786P41.1Very low30.9Very low117 Ų117138.5 Ų138.576%0.7677%0.765SS**  cis-143.4-1413.844.1-21.2000114.8
1787S26.5Very low30.5Very low111 Ų111134.3 Ų134.378%0.77676%0.76SS**  trans84.5140.8175.175.40000116.6
1788R32.3Very low30Very low238 Ų238129.9 Ų129.990%0.89875%0.753SS**  cis78.2106.228.8-83.2-160.6178.1-151.62.1116.9
1789L25.1Very low30.1Very low152 Ų152130.2 Ų130.280%0.79675%0.752SS**  trans168130.1145.6-88.4156.7000105.2F1791L1789-F1791 HydrophobicContact CD2-CD2 4.4Å; L1789-F1791 HydrophobicContact CD2-CE2 4.48Å
1790T25.3Very low30.1Very low114 Ų114128.9 Ų128.970%0.69976%0.758SS**  cis78.6142.338.7-41.20000113.1
1791F25.2Very low30.3Very low174 Ų174125.9 Ų125.976%0.76376%0.759SS**  trans75.3140.3-175.1-60.4-88.1000115.9L1789L1789-F1791 HydrophobicContact CD2-CD2 4.4Å; L1789-F1791 HydrophobicContact CD2-CE2 4.48Å
1792T23.9Very low30.4Very low117 Ų117127.3 Ų127.372%0.71877%0.765SS**  cis-159.5163.6-238.80000108.4
1793P27.8Very low29.6Very low91 Ų91127 Ų12759%0.59176%0.763SS**  trans-90.5138.2-17234.1-32.3000114.5N290N290-P1793 WeakPolarHBondContact ND2-CG 3.41Å
1794S24.3Very low29.9Very low107 Ų107131 Ų13175%0.74877%0.766SS**  trans-160.5125.8163.162.30000115
1795V27.5Very low30Very low135 Ų135133.1 Ų133.182%0.81877%0.765SS**  trans63.4108.5136.1-178.40000119.8
1796A26.9Very low29.6Very low81 Ų81135.2 Ų135.267%0.66977%0.767SS**  trans55.7148.6133.900000120.7
1797D31.3Very low29Very low139 Ų139141.9 Ų141.974%0.74378%0.777SS**  cis-152.7144.828.2-117.6-45.4000114.3
1798S30.6Very low29.2Very low95 Ų95141.1 Ų141.166%0.66477%0.772SS**  23164.8121.8-48.50000122.6
1799P38.6Very low29.1Very low115 Ų115140.1 Ų140.175%0.74777%0.774SS**  cis-144.1166.5-39.439.2-22.8000115.2
1800S30.6Very low29.4Very low131 Ų131142.5 Ų142.592%0.91678%0.778SS**  trans175.6141.7141.1-840000111.7
1801G30.9Very low29.4Very low69 Ų69146.9 Ų146.971%0.71179%0.787SS**  cis-173.5-172.9-2.400000114.3
1802I31.9Very low29.5Very low169 Ų169143.7 Ų143.787%0.86779%0.787SS**  trans7158.3175-37.5-173000117.2
1803I29.5Very low29.6Very low146 Ų146144.3 Ų144.375%0.74978%0.782SS**  trans-14.8134.6140-60.6153.4000116.1
1804R31.9Very low29.6Very low247 Ų247151 Ų15193%0.93280%0.795SS**  trans-15286.6139.6-114.8169.5-163.3171.67.7113.9
1805N28Very low29.6Very low134 Ų134151.4 Ų151.472%0.71779%0.793SS**  trans-64.8125169.6-103.4-41.1000111.8
1806L31.7Very low29.6Very low158 Ų158149.4 Ų149.483%0.82779%0.785SS**  trans-145.371.9160.4-82.6-173.3000112.8S1808L1806-S1808 PolarHBondContact O-N 3.38Å; L1806-S1808 VanDerWaalsContact O-N 3.13Å
1807W29.5Very low29.7Very low256 Ų256152.7 Ų152.797%0.9778%0.784SS**  trans-60.2109.3156.1-86.462.3000109.6
1808S31.3Very low29.6Very low96 Ų96152.3 Ų152.367%0.67179%0.787SS**  trans-150.5136.5166.573.80000113.3L1806 K1810L1806-S1808 PolarHBondContact O-N 3.38Å; L1806-S1808 VanDerWaalsContact O-N 3.13Å; S1808-K1810 PolarHBondContact O-N 3.2Å
1809K29.7Very low29.7Very low216 Ų216154.9 Ų154.994%0.93979%0.788SS**  trans-80.1103.1178.7-66.6177.6179.8176.30110.4
1810K30.8Very low29.3Very low203 Ų203157 Ų15788%0.88379%0.788SS**  trans-139.1148.2165.6-101.9173.1-179173.20112S1808S1808-K1810 PolarHBondContact O-N 3.2Å
1811K26.6Very low29.4Very low205 Ų205155 Ų15589%0.89177%0.772SS**  trans-80.1154.2-173.7-66.4-179.3177.1-179.40112
1812S26.1Very low29.3Very low108 Ų108157.1 Ų157.176%0.75577%0.771SS**  trans66.5102.4160.3169.30000117.4
1813Q27.3Very low29.2Very low130 Ų130154.5 Ų154.561%0.60776%0.763SS**  -159.4153.2103.8-103.116833.900111.7R1734 V1815R1734-Q1813 VanDerWaalsContact NH1-CD 3.32Å; R1734-Q1813 VanDerWaalsContact NH2-CD 3.32Å; Q1813-V1815 PolarHBondContact O-N 3.49Å
1814R26.6Very low29.2Very low232 Ų232150.9 Ų150.988%0.87574%0.74SS**  trans-71.1123.1169.8-79-174.6175.1-170.7-1.7108.8
1815V25.1Very low29Very low115 Ų115144.8 Ų144.870%0.69773%0.73SS**  trans-119.4108.4157.4-174.30000106.2Q1813 F1817Q1813-V1815 PolarHBondContact O-N 3.49Å; V1815-F1817 HydrophobicContact CG1-CD2 3.89Å; V1815-F1817 HydrophobicContact CG1-CE2 3.52Å; V1815-F1817 HydrophobicContact CG1-CZ 4.15Å
1816S27.9Very low29Very low92 Ų92144 Ų14464%0.64373%0.725SS**  trans-113.9100.317552.30000107.3V1818S1816-V1818 PolarHBondContact O-N 2.99Å
1817F27.1Very low28.8Very low150 Ų150144.1 Ų144.166%0.65872%0.721SS**  trans-69.988.4165.9-73.5-80.9000108V1815V1815-F1817 HydrophobicContact CG1-CD2 3.89Å; V1815-F1817 HydrophobicContact CG1-CE2 3.52Å; V1815-F1817 HydrophobicContact CG1-CZ 4.15Å
1818V30.5Very low28.7Very low132 Ų132137 Ų13780%0.871%0.71SS**  trans-103.496.3159.5176.90000104.2S1816S1816-V1818 PolarHBondContact O-N 2.99Å
1819E31.5Very low28.5Very low149 Ų149135.6 Ų135.670%0.69670%0.698SS**  trans-116.6153.5176.7-137.7126-128.100108.2
1820Q32.1Very low28.4Very low159 Ų159128.2 Ų128.274%0.74367%0.667SS**  trans-77.5162.5-149.5-68.4141-90.900114.2V1822Q1820-V1822 PolarHBondContact O-N 3.19Å
1821P31.9Very low28.3Very low89 Ų89121.8 Ų121.858%0.57865%0.647SS**  trans-56119.6146.328.5-32.8000107.7A383 V1823A383-P1821 HydrophobicContact CB-CB 4.06Å; P1821-V1823 PolarHBondContact O-N 2.87Å
1822V29.4Very low28.5Very low114 Ų114118.8 Ų118.869%0.69164%0.638SS**  trans-7383.5173.1-178.20000107.6Q1820 Y1824Q1820-V1822 PolarHBondContact O-N 3.19Å; V1822-Y1824 HydrophobicContact CG1-CD2 4.01Å; V1822-Y1824 HydrophobicContact CG1-CE2 3.93Å
1823V28.7Very low28.6Very low114 Ų114119.7 Ų119.769%0.69163%0.631SS**  trans-74.5119159.5179.80000105.6P1821 T1825P1821-V1823 PolarHBondContact O-N 2.87Å; V1823-T1825 PolarHBondContact O-N 3.45Å
1824Y29.4Very low28.7Very low70 Ų70120.8 Ų120.828%0.27564%0.635SS.*  trans-67106.9171.6-77.9-124000107.3S393 H402 V1822 I1826S393-Y1824 VanDerWaalsContact CA-OH 3.29Å; S393-Y1824 WeakPolarHBondContact CA-OH 3.24Å; S393-Y1824 WeakPolarHBondContact CB-OH 3.27Å; S393-Y1824 PolarHBondContact O-OH 3.42Å; H402-Y1824 PolarHBondContact CE1-OH 3.43Å; H402-Y1824 PolarHBondContact NE2-OH 3.32Å; V1822-Y1824 HydrophobicContact CG1-CD2 4.01Å; V1822-Y1824 HydrophobicContact CG1-CE2 3.93Å; Y1824-I1826 VanDerWaalsContact C-N 3.3Å; Y1824-I1826 PolarHBondContact O-N 2.75Å; Y1824-I1826 VanDerWaalsContact O-N 3.12Å
1825T27.5Very low28.8Very low119 Ų119118.4 Ų118.473%0.7363%0.634SS**  trans-65.8100.7149.545.30000105.9V1823 E1827V1823-T1825 PolarHBondContact O-N 3.45Å; T1825-E1827 PolarHBondContact O-N 2.86Å; T1825-E1827 VanDerWaalsContact O-N 3.09Å
1826I28.6Very low29Very low117 Ų117116.5 Ų116.560%0.663%0.626SS**  trans-56.7116.7169.1-61.7177000106Y1824 S1828Y1824-I1826 VanDerWaalsContact C-N 3.3Å; Y1824-I1826 PolarHBondContact O-N 2.75Å; Y1824-I1826 VanDerWaalsContact O-N 3.12Å; I1826-S1828 PolarHBondContact O-N 3.02Å
1827E27.2Very low29.1Very low160 Ų160118.9 Ų118.975%0.74863%0.632SS**  trans-72.9129.8-163.4-69.8-167.3126.400112.1T1825 T1829T1825-E1827 PolarHBondContact O-N 2.86Å; T1825-E1827 VanDerWaalsContact O-N 3.09Å; E1827-T1829 PolarHBondContact O-N 3.14Å
1828S27.5Very low29.2Very low107 Ų107119.9 Ų119.975%0.74864%0.638SS**  trans-74.579.6165.7173.30000110.5I1826 H1830I1826-S1828 PolarHBondContact O-N 3.02Å; S1828-H1830 PolarHBondContact O-N 2.88Å
1829T27Very low29.1Very low66 Ų66120.6 Ų120.641%0.40564%0.638SS.*  trans-52.6121160390000110.9T1603 E1827T1603-T1829 WeakPolarHBondContact CB-O 3.49Å; T1603-T1829 PolarHBondContact OG1-O 3.43Å; E1827-T1829 PolarHBondContact O-N 3.14Å
1830H28.7Very low28.8Very low61 Ų61117.6 Ų117.628%0.28263%0.633SS.*  cis-151.5149.32.1-68.2-100.2000115.4V1601 K1602 T1603 S1828V1601-H1830 PolarHBondContact O-CE1 3.36Å; V1601-H1830 VanDerWaalsContact O-CE1 3.26Å; V1601-H1830 PolarHBondContact O-NE2 2.88Å; K1602-H1830 VanDerWaalsContact CA-CD2 3.44Å; K1602-H1830 WeakPolarHBondContact CA-CD2 3.5Å; K1602-H1830 HydrophobicContact CB-CB 4.19Å; K1602-H1830 HydrophobicContact CD-CB 4.35Å; K1602-H1830 HydrophobicContact CG-CB 4Å; T1603-H1830 PolarHBondContact N-CD2 3.19Å; S1828-H1830 PolarHBondContact O-N 2.88Å
1831S28.5Very low28.5Very low68 Ų68116.1 Ų116.148%0.47663%0.63SS.*  trans37.9142.3149.562.40000124.9K1602K1602-S1831 WeakPolarHBondContact CD-OG 3.45Å; K1602-S1831 VanDerWaalsContact CE-OG 3.28Å; K1602-S1831 WeakPolarHBondContact CE-OG 3.36Å; K1602-S1831 VanDerWaalsContact NZ-CB 3.32Å; K1602-S1831 PolarHBondContact NZ-OG 2.68Å
1832M29.8Very low28.4Very low142 Ų142118.8 Ų118.870%0.764%0.635SS**  cis72.2142.449.7-113.6-173147.800114.8
1833E28.2Very low28.2Very low128 Ų128119 Ų11960%0.59863%0.632SS**  cis-133.1146.118.7-89.9147.7-167.300110.1R1754R1754-E1833 IonicContact NH1-OE1 2.96Å; R1754-E1833 PolarHBondContact NH1-OE1 3.25Å
1834Q28.8Very low28.1Very low152 Ų152120.3 Ų120.371%0.7164%0.635SS**  71.9128.276.9-154.5168.2-19.300113.5
1835E28.7Very low28.2Very low183 Ų183124.4 Ų124.486%0.85566%0.657SS**  -157.317974.7-87-173.8146.600116.3
1836S30.4Very low28.1Very low75 Ų75125.3 Ų125.352%0.52466%0.656SS.*  trans-107.1-165-178.553.30000111.1
1837D28.8Very low28.1Very low142 Ų142125 Ų12576%0.75966%0.656SS**  cis-124.4-147-2.5-87.4-75.1000107.8
1838E30.2Very low28.1Very low171 Ų171125 Ų12580%0.79965%0.653SS**  cis-146.8163.76.4-65.8-175.5120.600110.4
1839D27.6Very low28Very low147 Ų147123.1 Ų123.179%0.78664%0.64SS**  trans58.2144.4150.4-75.68.3000122.6
1840S25.3Very low28.1Very low86 Ų86124.6 Ų124.660%0.60165%0.649SS**  cis-166.9166.5-10.548.10000111
1841D27Very low28Very low127 Ų127124.8 Ų124.868%0.67965%0.652SS**  trans38.5132139.9-67.1-10.9000121.2
1842H28.4Very low28Very low146 Ų146128.3 Ų128.368%0.67666%0.655SS**  cis-168.1150.427.9-113.2-45.5000114
1843D26.4Very low27.8Very low117 Ų117130.1 Ų130.163%0.62666%0.659SS**  trans54.4109.9138.1-63.35.9000123.9
1844N26.8Very low27.6Very low142 Ų142129.8 Ų129.876%0.75967%0.666SS**  154.9117.8105.5-80.3-71.9000109.7
1845Q29.7Very low27.4Very low157 Ų157129.1 Ų129.173%0.73467%0.666SS**  cis82.1112.239.1-167.3-177.4102.500115.7
1846I27Very low27.1Very low137 Ų137126.9 Ų126.970%0.70366%0.659SS**  trans167.2107139.3-83.7151.4000104.9
1847D28.3Very low26.8Very low112 Ų112131.2 Ų131.260%0.59967%0.669SS**  cis91.8144.931.3-153.25.5000114.9
1848F26.3Very low26.6Very low159 Ų159130.1 Ų130.170%0.69766%0.663SS**  trans74.979.8174.5-63.2-75.1000122.5
1849S26.6Very low26.5Very low67 Ų67127.8 Ų127.847%0.46966%0.656SS.*  44.6147.9108.871.30000124
1850T28.1Very low26.4Very low98 Ų98126.3 Ų126.360%0.60165%0.648SS**  -178.379.5115.830.90000118T1723 L1724T1723-T1850 HydrophobicContact CG2-CG2 4.09Å; L1724-T1850 HydrophobicContact CD1-CG2 3.8Å; L1724-T1850 HydrophobicContact CG-CG2 3.78Å
1851N27.2Very low26.6Very low65 Ų65128.5 Ų128.535%0.34865%0.653SS.*  61.4121.8112.7175.4104.2000123.9L1724L1724-N1851 VanDerWaalsContact CA-CG 3.44Å; L1724-N1851 WeakPolarHBondContact CA-OD1 3.38Å; L1724-N1851 HydrophobicContact CD2-CB 4.39Å; L1724-N1851 HydrophobicContact CG-CB 4.4Å; L1724-N1851 PolarHBondContact N-ND2 2.96Å; L1724-N1851 PolarHBondContact N-OD1 3.37Å
1852R27.4Very low26.8Very low141 Ų141130.9 Ų130.953%0.53266%0.66SS.*  trans86.9116.7144-79.4-179.8-169147.18.9123.3L1724 S1725L1724-R1852 PolarHBondContact O-NH1 2.98Å; L1724-R1852 VanDerWaalsContact O-NH1 3.1Å; L1724-R1852 PolarHBondContact O-NH2 2.94Å; S1725-R1852 PolarHBondContact O-NH2 3.5Å; S1725-R1852 VanDerWaalsContact O-NH2 3.13Å
1853K26Very low26.9Very low180 Ų180131.3 Ų131.378%0.78367%0.667SS**  79.7156.6121.6-79.6-172.3171.9-165.10120.4
1854T24.9Very low27.3Very low122 Ų122133.7 Ų133.775%0.74868%0.68SS**  trans93.4138.2150.9-53.40000115.1
1855I24.4Very low27.3Very low137 Ų137130 Ų13070%0.70368%0.675SS**  cis-169.1156.1-36.2-133.8166.8000108.2
1856L22.5Very low27.5Very low136 Ų136130.1 Ų130.171%0.71268%0.681SS**  trans53.7138164.6-91.658.3000119.9
1857F23.4Very low27.7Very low166 Ų166132 Ų13273%0.72868%0.684SS**  15.4146.4110.2-62.5-81.7000118
1858N26.1Very low27.9Very low120 Ų120137.6 Ų137.664%0.64270%0.698SS**  cis-168.4161.139.3-141.820.3000111.9
1859N26.7Very low28.1Very low122 Ų122137 Ų13765%0.65270%0.698SS**  trans68.1155.4149.7-72.420.1000118.2
1860N27.1Very low28.1Very low116 Ų116141.1 Ų141.162%0.6271%0.71SS**  cis-154.315212.8-133.922.9000112.1
1861N27.5Very low28.2Very low132 Ų132145.3 Ų145.371%0.70672%0.72SS**  trans63.8166164.1-39.5-10.4000115.4
1862E32.5Very low28.1Very low177 Ų177147.3 Ų147.383%0.82773%0.731SS**  cis-127.8134-0.8-66.3168.7162.300106.3
1863D30.6Very low28.2Very low154 Ų154147.5 Ų147.582%0.82474%0.742SS**  86.8152.771.2-129.6-16.1000113.7
1864D33.3Very low28.5Very low167 Ų167147.2 Ų147.289%0.89375%0.748SS**  trans65.1148.2-166.4-60.4-32.3000116.1
1865G28.5Very low28.5Very low64 Ų64147.4 Ų147.466%0.6675%0.745SS**  cis-175.9158.9-6.500000112.3
1866D33.7Very low28.7Very low160 Ų160149.8 Ų149.886%0.85675%0.753SS**  trans54.4127.3171.6-53.9-30.9000120.1
1867K30.4Very low28.8Very low178 Ų178149.7 Ų149.777%0.77475%0.753SS**  cis87.2103.333.3-77.5-164.4172.6-176.80117.2
1868Y31.8Very low29.1Very low228 Ų228150.8 Ų150.889%0.89476%0.758SS**  trans-144.5106.1134.5-89.2-86.3000105.5
1869E31Very low29.1Very low146 Ų146151.4 Ų151.468%0.68276%0.76SS**  105.3108.875.9-88.9-75.110800109.3
1870E27.7Very low29.2Very low155 Ų155151.8 Ų151.872%0.72476%0.762SS**  trans-113.4121.9-177.9172.8-175.6-174.400108.5N1872E1870-N1872 PolarHBondContact OE1-ND2 3.07Å
1871F29.4Very low29.1Very low186 Ų186154.1 Ų154.182%0.81677%0.769SS**  trans-109.1109171.9-96-86.5000111.3
1872N25.8Very low29.1Very low106 Ų106153.8 Ų153.857%0.56777%0.767SS**  trans-95-176.8164.4-76.9-67.3000110.5E1870E1870-N1872 PolarHBondContact OE1-ND2 3.07Å
1873D29.9Very low28.8Very low146 Ų146149.8 Ų149.878%0.78175%0.754SS**  trans70.9132171.6-54.3-34.6000114.8
1874L30.8Very low28.7Very low173 Ų173149.6 Ų149.691%0.90675%0.751SS**  cis-130.7133.735.9-79159.1000115.4
1875N26.2Very low28.5Very low126 Ų126148.1 Ų148.167%0.67474%0.744SS**  trans-47.8126.2163.7154.266.2000114.9N1877N1875-N1877 PolarHBondContact OD1-ND2 3.46Å; N1875-N1877 VanDerWaalsContact OD1-ND2 3.14Å
1876E28.1Very low28.3Very low187 Ų187150.5 Ų150.587%0.87475%0.745SS**  trans-145.7144.6141.3-147.3176.4-143.200112.5
1877N25.4Very low27.8Very low134 Ų134148.9 Ų148.972%0.71774%0.737SS**  trans-111112.9-179.1-79.4-102.6000110.5N1875N1875-N1877 PolarHBondContact OD1-ND2 3.46Å; N1875-N1877 VanDerWaalsContact OD1-ND2 3.14Å
1878K28.3Very low27.8Very low190 Ų190146.4 Ų146.483%0.82674%0.736SS**  trans-160.2146.8154.7-113.3168.5-170.6171.80112.6
1879L25.6Very low27.6Very low132 Ų132142.1 Ų142.169%0.69172%0.724SS**  trans16.1135.2139.4-61.5170.7000117.4
1880D30.3Very low27.5Very low131 Ų131143 Ų14370%0.70173%0.726SS**  cis-136.7131.748.6-109.7-36.8000117.4I1882D1880-I1882 HydrophobicContact CB-CD1 4.16Å; D1880-I1882 HydrophobicContact CB-CG1 4.05Å; D1880-I1882 PolarHBondContact O-N 3.43Å
1881E24.7Very low27.6Very low164 Ų164142.7 Ų142.777%0.76673%0.728SS**  trans-92.569.1170.2-172.6-176.3-171.700109V1883E1881-V1883 HydrophobicContact CG-CG2 4.3Å; E1881-V1883 PolarHBondContact O-N 3Å
1882I28.2Very low27.6Very low126 Ų126141.6 Ų141.665%0.64672%0.723SS**  trans-76.581.1178.5-68.1170.6000110.2D1880 I1884D1880-I1882 HydrophobicContact CB-CD1 4.16Å; D1880-I1882 HydrophobicContact CB-CG1 4.05Å; D1880-I1882 PolarHBondContact O-N 3.43Å; I1882-I1884 HydrophobicContact CG2-CD1 4Å; I1882-I1884 HydrophobicContact CG2-CG1 3.83Å; I1882-I1884 PolarHBondContact O-N 3.21Å
1883V24.9Very low27.7Very low93 Ų93144.4 Ų144.456%0.56473%0.733SS**  trans-67.4113.5156.8173.90000108.1E1881E1881-V1883 HydrophobicContact CG-CG2 4.3Å; E1881-V1883 PolarHBondContact O-N 3Å
1884I29.3Very low27.5Very low150 Ų150142 Ų14277%0.76973%0.728SS**  trans-111.8121.8158.1-65-179.5000108I1882I1882-I1884 HydrophobicContact CG2-CD1 4Å; I1882-I1884 HydrophobicContact CG2-CG1 3.83Å; I1882-I1884 PolarHBondContact O-N 3.21Å
1885N28.5Very low27.5Very low136 Ų136140 Ų14073%0.72772%0.718SS**  trans-76.3166.5-169-77.2-62.7000113.5
1886T23.9Very low27.8Very low114 Ų114142.4 Ų142.470%0.69972%0.722SS**  trans-71.1156.4176.647.50000114.2
1887N24.7Very low27.9Very low126 Ų126141.1 Ų141.167%0.67471%0.714SS**  trans83.1165.2157.2-54.4-58.2000119.9
1888V29.5Very low28.2Very low125 Ų125139.1 Ų139.176%0.75870%0.703SS**  trans72.982174.6-164.90000113.8
1889E28.5Very low28.4Very low138 Ų138138 Ų13865%0.64570%0.701SS**  84.2125.976.9-77.6-162.7113.700116
1890K27.9Very low28.8Very low164 Ų164138 Ų13871%0.71370%0.698SS**  trans36.9115.3138.1-50.5164.7179.4158.80118.6
1891L29.9Very low28.9Very low149 Ų149138.3 Ų138.378%0.7870%0.704SS**  168.2128.9106-87.3162.8000114.2
1892K30.1Very low29.2Very low164 Ų164133.8 Ų133.871%0.71370%0.701SS**  trans50108.7141.3-65.2-179.1-179.5-179.40122.4
1893E27.2Very low29.5Very low164 Ų164135.9 Ų135.977%0.76671%0.712SS**  42.9122108.1-60.617211200122
1894S26.8Very low29.7Very low97 Ų97139.1 Ų139.168%0.67873%0.726SS**  trans70127.4142.472.10000119.3
1895N30.1Very low29.8Very low129 Ų129135.7 Ų135.769%0.6973%0.728SS**  -167.7133.266.6-92.4-73.4000115.6
1896K32Very low29.8Very low177 Ų177136.8 Ų136.877%0.7773%0.732SS**  35.4120.7124.9-76.6-178.7176.4171.80121.4
1897K30.6Very low30.3Very low160 Ų160136.8 Ų136.870%0.69673%0.734SS**  131135.791.3-107.2-151.6160.4-144.10117.8
1898N32.1Very low30.4Very low93 Ų93139 Ų13950%0.49774%0.743SS.*  trans38128.6141.3-60.230.8000121.8E1900N1898-E1900 PolarHBondContact ND2-OE1 3.38Å
1899E32.3Very low30.4Very low166 Ų166138.5 Ų138.578%0.77674%0.744SS**  -136171.6111.6-126.2173.6-162.800110.4
1900E33.1Very low30.4Very low133 Ų133139.8 Ų139.862%0.62175%0.748SS**  -151.9166.4-125-161169.4-90.500114.1N1898N1898-E1900 PolarHBondContact ND2-OE1 3.38Å
1901T33.2Very low30.6Very low136 Ų136139.3 Ų139.383%0.83475%0.751SS**  trans76.6140.6172.477.60000117.8
1902G30.3Very low30.3Very low69 Ų69140.6 Ų140.671%0.71175%0.753SS**  cis170.3-158.9-6.800000115
1903I35Very low30.3Very low170 Ų170137.7 Ų137.787%0.87275%0.749SS**  trans90.293.9173.7-48.3179.5000117.2
1904N29.7Very low30.1Very low162 Ų162137.1 Ų137.187%0.86675%0.746SS**  trans-32.8145.3160.6-50.6-42.5000117.6
1905G30.8Very low30.3Very low77 Ų77138.7 Ų138.779%0.79475%0.752SS**  trans-155.849.4179.300000117.9
1906I28.2Very low30Very low160 Ų160137.1 Ų137.182%0.82175%0.746SS**  trans19.4129.5157.3-60.1176.2000119.9
1907P34Very low29.8Very low114 Ų114134.3 Ų134.374%0.7475%0.749SS**  trans-84.3157-179.836.2-38.1000115.3
1908M27Very low29.5Very low173 Ų173135.1 Ų135.185%0.85275%0.753SS**  trans158.5113.2143.4-92.6-84-75.600114.5
1909S30.6Very low29.3Very low113 Ų113139.9 Ų139.979%0.7977%0.772SS**  trans168.5118.3141.2380000109.1
1910K27.4Very low29.1Very low165 Ų165138.1 Ų138.172%0.71777%0.766SS**  59.883.375.2-84.1-160.9174.3-174.70114.5E972E972-K1910 IonicContact OE1-NZ 2.61Å; E972-K1910 PolarHBondContact OE1-NZ 3.01Å
1911I31.2Very low28.7Very low155 Ų155137.7 Ų137.780%0.79578%0.775SS**  trans-167.7117.7139.8-85.2139.6000102.7
1912E25.1Very low28.5Very low175 Ų175137.1 Ų137.182%0.81877%0.772SS**  cis86.371.634.6-160.1171.6-131.100114.2
1913V28.8Very low28.5Very low104 Ų104138.5 Ų138.563%0.6376%0.762SS**  trans-123.5139.5156.5-1800000108.5
1914H24.4Very low28.4Very low152 Ų152134 Ų13470%0.70474%0.74SS**  trans-126.9105.9-164.8-144.3-68.6000109.3T1916H1914-T1916 WeakPolarHBondContact ND1-CG2 3.42Å
1915V30.1Very low28.3Very low130 Ų130131.5 Ų131.579%0.78873%0.727SS**  trans-121105.8172.4-175.20000109.7
1916T24.4Very low28.2Very low95 Ų95132.7 Ų132.758%0.58373%0.728SS**  trans-113.2109.3-17752.80000112.1H1914H1914-T1916 WeakPolarHBondContact ND1-CG2 3.42Å
1917S27.1Very low28.1Very low118 Ų118130.1 Ų130.183%0.82573%0.725SS**  trans-9985.7171.7-63.80000110.8Q1919S1917-Q1919 PolarHBondContact O-N 3.17Å
1918K25.1Very low27.8Very low178 Ų178133.4 Ų133.477%0.77473%0.73SS**  trans-74.9108.6168.4-65.5173-176.21690108.7
1919Q27.4Very low27.7Very low192 Ų192132 Ų13290%0.89773%0.726SS**  trans-81.3133.6160.1-92.7177.1-2000110.2S1917S1917-Q1919 PolarHBondContact O-N 3.17Å
1920I27.3Very low27.5Very low129 Ų129131.9 Ų131.966%0.66272%0.716SS**  trans-103.5145.5-169.7-64.6168.1000106.7V1922I1920-V1922 PolarHBondContact O-N 3.36Å
1921P24.8Very low27.5Very low124 Ų124128.3 Ų128.381%0.80571%0.712SS**  trans-54.4113.4169.423.5-34.2000109.4
1922V29.8Very low27.3Very low125 Ų125126.5 Ų126.576%0.75870%0.7SS**  trans-71.4132.2-172.6178.20000109.6I1920 L1924I1920-V1922 PolarHBondContact O-N 3.36Å; V1922-L1924 PolarHBondContact O-N 3.15Å
1923D29.7Very low27.7Very low97 Ų97123.4 Ų123.452%0.51970%0.698SS.*  trans-74.7123-175.7-138.9-0.7000110.1K812 D1925K812-D1923 WeakPolarHBondContact CD-OD1 3.25Å; K812-D1923 WeakPolarHBondContact CE-OD1 3.47Å; K812-D1923 IonicContact NZ-OD1 2.73Å; K812-D1923 PolarHBondContact NZ-OD1 3.03Å; K812-D1923 IonicContact NZ-OD2 3.69Å; K812-D1923 PolarHBondContact NZ-OD2 3.04Å; D1923-D1925 PolarHBondContact O-N 3.49Å
1924L32.6Very low27.8Very low77 Ų77124.6 Ų124.640%0.40371%0.705SS.*SBendtrans-78.545.2-175.5-75.2170.4000113.7R743 V1922R743-L1924 HydrophobicContact CG-CD2 4.09Å; V1922-L1924 PolarHBondContact O-N 3.15Å
1925D29.1Very low28.1Very low109 Ų109125.6 Ų125.658%0.58371%0.708SS**  trans-133.379.1174.6-78.9-42.1000110.1K812 D1923K812-D1925 WeakPolarHBondContact CE-OD2 3.43Å; K812-D1925 IonicContact NZ-OD2 2.72Å; K812-D1925 PolarHBondContact NZ-OD2 3.34Å; D1923-D1925 PolarHBondContact O-N 3.49Å
1926A28.9Very low28.3Very low101 Ų101122.6 Ų122.684%0.83569%0.692SS**  trans-151.15917800000112.5
1927S25.1Very low28.9Very low106 Ų106126 Ų12674%0.74171%0.705SS**  trans-123.868.9169.463.20000110.3
1928Q27.2Very low29.5Very low184 Ų184125.5 Ų125.586%0.8670%0.697SS**  trans-157.7156.1170.5-115.9162.423.100111.3
1929D26Very low30.3Very low144 Ų144122.4 Ų122.477%0.7769%0.693SS**  trans-85.9-155.7-157.8-48.4-93.3000115.2
1930L26.2Very low30.7Very low110 Ų110121.1 Ų121.158%0.57669%0.687SS**  trans98.5139.3171.6-59145.1000114.9S1410S1410-L1930 VanDerWaalsContact OG-CD1 3.23Å; S1410-L1930 WeakPolarHBondContact OG-CD1 3.41Å
1931S27.2Very low31Very low89 Ų89123.5 Ų123.562%0.62269%0.693SS**  cis-164.1154433.20000115.1
1932Q26.3Very low31.3Very low117 Ų117122.6 Ų122.655%0.54768%0.682SS.*  trans49.3125.5138.1-60.4162.97.100122.7E1409E1409-Q1932 PolarHBondContact OE2-NE2 3.38Å
1933S33.3Very low31.8Very low110 Ų110122.8 Ų122.877%0.76967%0.673SS**  trans177.196.4137.9176.90000110.9
1934V31.3Very low32Very low129 Ų129127.5 Ų127.578%0.78269%0.691SS**  78.1127.395.1153.10000115.3
1935F30.2Very low32.8Very low174 Ų174129.7 Ų129.776%0.76371%0.708SS**  cis-165.7101-16.5-156.6-94000114.7
1936S36.4Very low32.7Very low67 Ų67130 Ų13047%0.46971%0.714SS.*  trans73.3167.4148.4-55.60000120.1T1938S1936-T1938 CarbonylContact C-O 3.45Å; S1936-T1938 VanDerWaalsContact CA-O 3.28Å; S1936-T1938 WeakPolarHBondContact CA-O 3.47Å
1937I36.6Very low32.6Very low165 Ų165130.2 Ų130.285%0.84671%0.707SS**SBendcis-137.127.113.1-17.1175.7000117.3
1938T39.5Very low32.8Very low108 Ų108129.1 Ų129.166%0.66370%0.699SS**  cis52.1143.718.6-144.80000112.6S1936S1936-T1938 CarbonylContact C-O 3.45Å; S1936-T1938 VanDerWaalsContact CA-O 3.28Å; S1936-T1938 WeakPolarHBondContact CA-O 3.47Å
1939T41Very low32.7Very low113 Ų113122.7 Ų122.769%0.69367%0.673SS**  cis-90.3136.63.948.60000113.4
1940E36.3Very low32.9Very low165 Ų165118.4 Ų118.477%0.77165%0.65SS**  trans51.6125.4135.8-80159.5-172.200119.4
1941F32.9Very low33Very low179 Ų179118 Ų11879%0.78566%0.656SS**  34.383.259.1-91-96.1000111
1942D32.7Very low33.2Very low106 Ų106118.1 Ų118.157%0.56765%0.649SS**  178149.853.9-102.3-9.3000110.5
1943K39.6Very low33.3Very low129 Ų129115.9 Ų115.956%0.56164%0.641SS**  cis-139.551.6-17.5-76.3-163.8164.185.60109.8T1945K1943-T1945 PolarHBondContact O-N 3.41Å; K1943-T1945 PolarHBondContact O-OG1 2.88Å
1944E33.2Very low33Very low196 Ų196112.8 Ų112.892%0.91662%0.619SS**  trans-68.981.6170.9-77.9-152.6128.600110.8T1946E1944-T1946 PolarHBondContact O-N 3.02Å
1945T49.4Very low32.8Very low122 Ų122113.3 Ų113.375%0.74861%0.611SS**  trans-8880.1-163.2-50.10000110.6K1943K1943-T1945 PolarHBondContact O-N 3.41Å; K1943-T1945 PolarHBondContact O-OG1 2.88Å
1946T27.3Very low32.5Very low117 Ų117109.3 Ų109.372%0.71860%0.595SS**  trans-61.1164.3148.765.70000109.7E1944E1944-T1946 PolarHBondContact O-N 3.02Å
1947P28.2Very low32Very low105 Ų105107.6 Ų107.668%0.68258%0.583SS**  cis-137.3-171.58.438.9-19.2000114.7
1948S28.9Very low31.9Very low83 Ų83102.6 Ų102.658%0.5856%0.563SS**  trans70.1-179.7140.9720000120.1
1949T24.7Very low31.8Very low49 Ų49100.3 Ų100.330%0.30155%0.55SS..  172.3123.3-7850.80000113.2V1479 T1480 I1481V1479-T1949 WeakPolarHBondContact CG1-O 3.44Å; V1479-T1949 WeakPolarHBondContact CG1-OG1 3.46Å; T1480-T1949 VanDerWaalsContact C-CB 3.4Å; T1480-T1949 VanDerWaalsContact C-CG2 3.49Å; T1480-T1949 VanDerWaalsContact CB-C 3.4Å; T1480-T1949 WeakPolarHBondContact CB-O 3.4Å; T1480-T1949 VanDerWaalsContact N-CB 3.33Å; I1481-T1949 HydrophobicContact CB-CG2 3.65Å; I1481-T1949 HydrophobicContact CG1-CG2 4.46Å; I1481-T1949 HydrophobicContact CG2-CG2 4.05Å
1950L29.4Very low31.1Very low54 Ų54102.3 Ų102.328%0.28355%0.551SS.*  cis-83.9-123.6-21.4-61.7141.6000106.4T1480 I1481 S1482 D1952T1480-L1950 HydrophobicContact CG2-CB 3.43Å; T1480-L1950 VanDerWaalsContact CG2-CB 3.43Å; T1480-L1950 HydrophobicContact CG2-CD1 3.12Å; T1480-L1950 HydrophobicContact CG2-CD2 4.47Å; T1480-L1950 HydrophobicContact CG2-CG 3.08Å; I1481-L1950 VanDerWaalsContact CA-CA 3.45Å; I1481-L1950 VanDerWaalsContact CA-CD2 3.44Å; I1481-L1950 VanDerWaalsContact CD1-C 3.41Å; I1481-L1950 HydrophobicContact CD1-CB 4.32Å; I1481-L1950 WeakPolarHBondContact CD1-O 3.4Å; S1482-L1950 VanDerWaalsContact CB-CD2 3.49Å; L1950-D1952 WeakPolarHBondContact CD1-OD2 3.47Å
1951S28.9Very low31.1Very low101 Ų101100.9 Ų100.971%0.70654%0.544SS*.  cis-1041266.1-700000114
1952D31.2Very low30.9Very low91 Ų91101.2 Ų101.249%0.48754%0.54SS..  trans39.3124.5145.1-63.5-66.1000120.3S1482 L1950S1482-D1952 WeakPolarHBondContact OG-CA 3.35Å; L1950-D1952 WeakPolarHBondContact CD1-OD2 3.47Å
1953N27.8Very low30.9Very low70 Ų70107.4 Ų107.437%0.37456%0.556SS.*  66.9128.462.4-53.6-10.5000109.5S1482 C1484S1482-N1953 WeakPolarHBondContact CB-OD1 3.33Å; S1482-N1953 PolarHBondContact OG-N 3.35Å; S1482-N1953 PolarHBondContact OG-OD1 3.05Å; C1484-N1953 PolarHBondContact SG-OD1 2.85Å
1954S27.7Very low30.4Very low45 Ų45109.1 Ų109.132%0.31556%0.563SS.*  cis-175.6-154.42.240.60000108.2C1485 E1486C1485-S1954 VanDerWaalsContact SG-CB 3.51Å; E1486-S1954 WeakPolarHBondContact OE2-CB 3.49Å
1955F26.6Very low30Very low140 Ų140105.2 Ų105.261%0.61456%0.557SS**  trans82.6106166-53.2-53.8000114.6E1486E1486-F1955 WeakPolarHBondContact OE2-CA 3.24Å; E1486-F1955 WeakPolarHBondContact OE2-CD1 3.43Å; E1486-F1955 PolarHBondContact OE2-N 3.45Å
1956E25.2Very low28.8Very low91 Ų91103.3 Ų103.343%0.42555%0.554SS.*  78.2146.488.3-80.5-179.9137.600111.2E1486 D1487 T2050E1486-E1956 HydrophobicContact CB-CG 4.14Å; D1487-E1956 HydrophobicContact CB-CG 4.15Å; E1956-T2050 CarbonylContact C-O 3.58Å; E1956-T2050 WeakPolarHBondContact O-CB 3.4Å
1957S24.7Very low29.1Very low31 Ų31102.3 Ų102.322%0.21755%0.552CS.*  cis-169.4161.1-13.460.60000110.9T2050S1957-T2050 CarbonylContact C-O 3.28Å; S1957-T2050 VanDerWaalsContact N-CB 3.31Å; S1957-T2050 PolarHBondContact N-O 3.17Å; S1957-T2050 PolarHBondContact N-OG1 3.25Å; S1957-T2050 VanDerWaalsContact N-OG1 3.09Å; S1957-T2050 CarbonylContact O-C 3.5Å; S1957-T2050 WeakPolarHBondContact O-CA 3.38Å; S1957-T2050 PolarHBondContact O-N 2.89Å; S1957-T2050 PolarHBondContact O-OG1 3.29Å; S1957-T2050 VanDerWaalsContact O-OG1 3.11Å; S1957-T2050 PolarHBondContact OG-OG1 2.84Å
1958S35.6Very low29.3Very low59 Ų59103.5 Ų103.541%0.41356%0.559SS.*  trans-30.2-173.8162.6-119.90000119.9T1488T1488-S1958 WeakPolarHBondContact OG1-CB 3.5Å; T1488-S1958 PolarHBondContact OG1-OG 3.34Å
1959P36.5Very low29.2Very low60 Ų60106.4 Ų106.439%0.3956%0.564SS.*  cis-136.6-166.2-8.732.9-10.1000114.3E2048P1959-E2048 WeakPolarHBondContact O-CB 3.45Å; P1959-E2048 VanDerWaalsContact O-CG 3.27Å; P1959-E2048 WeakPolarHBondContact O-CG 3.27Å
1960H27.5Very low29.4Very low155 Ų155113.6 Ų113.672%0.71859%0.586SS**  trans85.4-155.8142.9-73-23.2000122.5E2048H1960-E2048 HydrophobicContact CB-CG 4.05Å; H1960-E2048 VanDerWaalsContact CB-OE1 3.25Å; H1960-E2048 WeakPolarHBondContact CB-OE1 3.16Å
1961H36Very low29.5Very low136 Ų136119.1 Ų119.163%0.6360%0.603SS**  -158.7118.8-109-147.148.9000118.1R1963 E2048H1961-R1963 PolarHBondContact O-N 3.28Å; H1961-E2048 PolarHBondContact N-OE1 2.65Å; H1961-E2048 PolarHBondContact N-OE2 3.03Å
1962R28.4Very low29.5Very low185 Ų185120.9 Ų120.970%0.69860%0.6SS**  trans50.357140-159.3-151.6-179.7171.73118.4
1963R33Very low29.4Very low237 Ų237123.1 Ų123.189%0.89461%0.611SS**  trans-132.1102.5145.5-76.8-169.9177.1175.63.9110.4H1961H1961-R1963 PolarHBondContact O-N 3.28Å
1964K28Very low29.5Very low164 Ų164125.4 Ų125.471%0.71363%0.63SS**  77146.785.8-98.7-161.9174.8-171.60113.2
1965S24.7Very low29.7Very low114 Ų114128.6 Ų128.680%0.79764%0.642SS**  trans8592.5170.7-42.80000115.7
1966A24.7Very low29.7Very low83 Ų83129.5 Ų129.569%0.68665%0.646SS**  73.6113.5129.300000119.5
1967S33.4Very low29.7Very low96 Ų96133.5 Ų133.567%0.67166%0.662SS**  33.4120.898.3-430000116.3
1968P32.4Very low29.6Very low129 Ų129136.9 Ų136.984%0.83869%0.691SS**  -83.6122.389.1-29.237.4000110.6
1969Q26.8Very low29.1Very low145 Ų145138.2 Ų138.268%0.67870%0.701SS**  52.6138.860.2-65.7-162.4-9.400112.6
1970R29.6Very low28.5Very low199 Ų199141.3 Ų141.375%0.75172%0.724SS**  trans70.1118.8160.7-78.7175.7172.9-176.5-1.3113.9
1971R30.1Very low28.5Very low170 Ų170136.2 Ų136.264%0.64271%0.713SS**  cis-153.7150.517.5-99.5178.9171.7114.8-4.6112.9
1972E30.7Very low28.2Very low139 Ų139135.1 Ų135.165%0.6572%0.721SS**  trans53.9122.6137-64.1146.7-15100116.7
1973L28.5Very low28.7Very low138 Ų138134 Ų13472%0.72372%0.721SS**  47.5122.179.2-55.9163.3000111I1975L1973-I1975 HydrophobicContact CD2-CD1 3.82Å; L1973-I1975 HydrophobicContact CD2-CG1 4.32Å
1974P30.5Very low28.5Very low118 Ų118133.7 Ų133.777%0.76672%0.721SS**  cis-126.4155.53418.86.4000113.2
1975I31.4Very low28.2Very low111 Ų111133.7 Ų133.757%0.56972%0.724SS**  61.8106.862-55.7170.2000113.3L1973L1973-I1975 HydrophobicContact CD2-CD1 3.82Å; L1973-I1975 HydrophobicContact CD2-CG1 4.32Å
1976K25.9Very low28.1Very low159 Ų159132.5 Ų132.569%0.69172%0.716SS**  trans60.3116.1152-63164.1-165.3153.30119.3
1977K24.4Very low28.4Very low175 Ų175132.7 Ų132.776%0.76171%0.712SS**  trans68.9157.3132.8-57.7170.4-177.5-176.40118
1978A24.1Very low28.3Very low102 Ų102134 Ų13484%0.84371%0.712SS**  trans65.9157.4161.500000114.7
1979S23.8Very low28.7Very low88 Ų88136.2 Ų136.262%0.61571%0.711SS**  cis-163.3117.5-11.1158.20000109.1G1981S1979-G1981 PolarHBondContact OG-N 3.47Å; S1979-G1981 PolarHBondContact OG-O 2.9Å
1980S24.5Very low29.6Very low124 Ų124135.5 Ų135.587%0.86771%0.711SS**  -75.8138.5114.459.30000107.7
1981G27.6Very low30.3Very low48 Ų48131.6 Ų131.650%0.49571%0.705SS.*  cis-83.3154.915.300000117.7S1979S1979-G1981 PolarHBondContact OG-N 3.47Å; S1979-G1981 PolarHBondContact OG-O 2.9Å
1982S30.8Very low30.6Very low113 Ų113131.8 Ų131.879%0.7971%0.71SS**  136.1121.6102.865.30000115.7
1983K37Very low30.7Very low161 Ų161129.6 Ų129.670%0.771%0.71SS**  trans69.9114.2154.3-66.4-174172.3-168.60120.8
1984Y29.8Very low30.7Very low231 Ų231127.3 Ų127.391%0.90671%0.705SS**  -107.4165.490.5-89.1-111.4000108.4
1985Q22.1Very low30.7Very low164 Ų164130.9 Ų130.977%0.76671%0.709SS**SBendcis-132.7-90.6-0.2-170.9-154.291.300111.7
1986S21.7Very low30.6Very low89 Ų89130.9 Ų130.962%0.62272%0.719SS**  trans-103.8127.7-160-176.90000114.5
1987S30.6Very low30.7Very low87 Ų87134.6 Ų134.661%0.60873%0.728SS**  trans56.9159.6169.5-71.40000117.4
1988N31.9Very low31.1Very low125 Ų125131.2 Ų131.267%0.66872%0.724SS**  cis-154143.4-27.2-103.9-16.3000107.6
1989Q41.5Very low31.2Very low174 Ų174133 Ų13381%0.81372%0.719SS**  trans63.3160160.4-67.7-172.347.600118
1990L45.7Very low31.3Very low130 Ų130136.7 Ų136.768%0.68172%0.724SS**  cis-159.5137.6-38-161.781.6000110.5
1991L43.3Very low31.4Very low118 Ų118135.8 Ų135.862%0.61871%0.707SS**  trans62.6137.4152.6-98.260.8000118.6
1992K37.3Very low31.6Very low174 Ų174137.1 Ų137.176%0.75770%0.701SS**  56.1141.488-64.8-174.8-148.5165.40115.2
1993S32.3Very low31.9Very low93 Ų93135 Ų13565%0.6568%0.684SS**  cis-177.7149.1-8.448.90000112.6
1994S28Very low31.8Very low89 Ų89132 Ų13262%0.62268%0.679SS**  trans60.8141.613576.30000122.6
1995K30.2Very low32Very low194 Ų194128.6 Ų128.684%0.84367%0.671SS**  trans75.9157.8148.8-70.5165.2177.4178.90118.1
1996S30.8Very low32.6Very low111 Ų111127 Ų12778%0.77666%0.664SS**  trans69.6104.6167.7-9.40000117.1
1997R28.3Very low33.1Very low237 Ų237128.4 Ų128.489%0.89467%0.669SS**  0.8152.4116.9-81.4-177.8168.4-165.8-2.4116.7
1998P31.6Very low33.3Very low103 Ų103131 Ų13167%0.66967%0.672SS**  cis-144.6-169.2-14.635.6-12.5000114.8
1999L26.4Very low33.4Very low141 Ų141131 Ų13174%0.73868%0.675SS**  trans77.8132.2157.3-58.8172.4000120.5
2000F25.7Very low33.1Very low164 Ų164130.3 Ų130.372%0.71968%0.676SS**  trans46.2122.3149.4-62.7-62.5000123.9
2001M27.9Very low32.5Very low105 Ų105125.8 Ų125.852%0.51766%0.655SS.*  trans74155.1133.1-63.4170.7174.100121.6I1714 L1715I1714-M2001 WeakPolarHBondContact O-CE 3.39Å; L1715-M2001 HydrophobicContact CB-CB 4.03Å; L1715-M2001 HydrophobicContact CB-CE 4.43Å; L1715-M2001 HydrophobicContact CB-CG 3.8Å; L1715-M2001 HydrophobicContact CB-SD 3.9Å; L1715-M2001 HydrophobicContact CD1-CB 4.41Å
2002E31.8Very low32.2Very low76 Ų76127.3 Ų127.336%0.35565%0.654SS.*  trans-130.5-144.5-175.1-35.5175.311400111.9T1716 S1717 R1718T1716-E2002 WeakPolarHBondContact OG1-CA 3.44Å; T1716-E2002 PolarHBondContact OG1-N 2.83Å; S1717-E2002 VanDerWaalsContact C-CD 3.48Å; S1717-E2002 VanDerWaalsContact CA-CD 3.41Å; S1717-E2002 WeakPolarHBondContact CA-OE2 3.38Å; S1717-E2002 PolarHBondContact N-OE2 3.4Å; R1718-E2002 WeakPolarHBondContact CA-OE1 3.41Å; R1718-E2002 WeakPolarHBondContact CB-OE1 3.15Å; R1718-E2002 PolarHBondContact N-OE1 3.27Å; R1718-E2002 PolarHBondContact N-OE2 2.98Å
2003P36Very low32.1Very low69 Ų69122.7 Ų122.745%0.44864%0.637SS.*  cis-137.5167.49.943.3-22.8000119.3L1715 T1716L1715-P2003 HydrophobicContact CD2-CG 3.76Å; T1716-P2003 HydrophobicContact CG2-CB 3.89Å; T1716-P2003 HydrophobicContact CG2-CG 4.18Å
2004V34.8Very low32.1Very low97 Ų97121.4 Ų121.459%0.58863%0.628SS**  trans58.6160.1143.7174.40000121.2
2005H34.6Very low32.4Very low160 Ų160125.8 Ų125.874%0.74164%0.636SS**  trans101.1143.4172.8-65-84.9000116.6
2006Q33.3Very low32.4Very low131 Ų131122.3 Ų122.361%0.61263%0.631SS**  cis-170.1-178.3-17.2-173.3163.3-13.800110
2007T33.9Very low32.3Very low118 Ų118121.7 Ų121.772%0.72463%0.627SS**  trans85.9157.9166.374.60000120.9
2008E34.4Very low32.4Very low143 Ų143119.5 Ų119.567%0.66863%0.627SS**  cis164.9156.9-40.6-88.3136.7-13000108
2009V34Very low32.2Very low123 Ų123118.8 Ų118.875%0.74562%0.624SS**  cis-168.9-162-13.866.10000109.6
2010I35.6Very low32.2Very low160 Ų160117.6 Ų117.682%0.82162%0.623SS**  trans104.3155.4168.3-53.7-176.6000119.5
2011S32.8Very low32.3Very low35 Ų35117.6 Ų117.625%0.24563%0.625CS.*  trans-153.9173.2-168.349.50000115.5N2097S2011-N2097 PolarHBondContact OG-ND2 2.93Å; S2011-N2097 VanDerWaalsContact OG-ND2 3.1Å; S2011-N2097 PolarHBondContact OG-OD1 3.33Å
2012Y37.1Very low32.3Very low151 Ų151117 Ų11759%0.59263%0.631SS**  trans174.5165.7137.7-97.1-72.9000118.8Q2094 I2095 N2096 N2097Y2012-Q2094 VanDerWaalsContact O-CG 3.31Å; Y2012-Q2094 WeakPolarHBondContact O-CG 3.22Å; Y2012-Q2094 PolarHBondContact O-NE2 3.29Å; Y2012-I2095 HydrophobicContact CD1-CG2 4.34Å; Y2012-N2096 WeakPolarHBondContact CE1-OD1 3.46Å; Y2012-N2096 PolarHBondContact OH-OD1 3.37Å; Y2012-N2097 PolarHBondContact OH-ND2 3.16Å
2013D34.7Very low32Very low76 Ų76120.4 Ų120.441%0.40665%0.651SS.*  trans-75.9175.3-158.5-75.1-66.1000123.4Q2094 I2095 N2096D2013-Q2094 VanDerWaalsContact CA-CD 3.46Å; D2013-Q2094 VanDerWaalsContact CA-CG 3.47Å; D2013-Q2094 PolarHBondContact O-NE2 3.15Å; D2013-I2095 WeakPolarHBondContact OD1-CG2 3.31Å; D2013-I2095 WeakPolarHBondContact OD2-CG2 3.42Å; D2013-N2096 PolarHBondContact OD2-ND2 3.06Å
2014S33.3Very low31.6Very low66 Ų66123.8 Ų123.846%0.46266%0.66SS.*  cis-175.5164.1-22.864.50000115.6
2015K32.4Very low31.4Very low182 Ų182125.6 Ų125.679%0.79166%0.664SS**  trans101.5135.4142.9-77.1179.3-178.9179.80129.4
2016T30.2Very low31.2Very low121 Ų121124.1 Ų124.174%0.74266%0.662SS**  trans85.2147131.648.10000129.4
2017S29.7Very low31Very low98 Ų98126.7 Ų126.769%0.68567%0.671SS**  trans71.9128.3158.637.10000120
2018E29.9Very low30.8Very low190 Ų190128.1 Ų128.189%0.88867%0.667SS**  77.8141.856.6-74.9-178.4152.800114.1
2019S27.4Very low30.5Very low88 Ų88127.2 Ų127.262%0.61566%0.663SS**  cis-172.3171-8.155.30000110.4
2020T27.5Very low30.3Very low117 Ų117127.9 Ų127.972%0.71866%0.662SS**  trans62.4156.1152.5380000119.5
2021E28Very low30Very low164 Ų164127 Ų12777%0.76666%0.658SS**  cis-166.1160.7-24.5-147.2-178.9161.500110.2
2022S26.6Very low29.8Very low91 Ų91132.2 Ų132.264%0.63668%0.682SS**  trans78.1140.4138.781.40000123.5
2023L26.7Very low29.5Very low149 Ų149129.7 Ų129.778%0.7868%0.682SS**  trans83.1113.6134.1-107.980.4000123.4
2024H27.5Very low29.4Very low139 Ų139133.4 Ų133.464%0.64470%0.701SS**  88.187.9122.6-108.9-117.5000121.8
2025M29.8Very low29.2Very low135 Ų135136.5 Ų136.567%0.66571%0.712SS**  73125.9109-78.8-155.9-174.200122
2026N29.5Very low29Very low129 Ų129133.1 Ų133.169%0.6971%0.711SS**  trans75.8149.9131.5-86.6-48.7000120
2027K30Very low28.9Very low186 Ų186135.7 Ų135.781%0.80972%0.715SS**  trans70.2140.9162.8-71.8166.9-175170.40113.8
2028K28.9Very low28.8Very low148 Ų148135.7 Ų135.764%0.64372%0.715SS**  cis-166.5-176.9-4.5-136.4174.4153-149.10108.4
2029E29.2Very low28.6Very low123 Ų123131.8 Ų131.858%0.57570%0.704SS**  trans55.598.9145-75.5155171.500116.2
2030N30.1Very low28.6Very low137 Ų137134.2 Ų134.273%0.73371%0.709SS**  88.4171.886.3-78.3-3.1000111.9
2031I28.7Very low28.6Very low141 Ų141136 Ų13672%0.72371%0.713SS**  trans92.3117.1134.4-106.4159.2000117.3
2032L29.4Very low28.6Very low145 Ų145131.5 Ų131.576%0.75970%0.704SS**  trans73.8112.6155.7-57.8175.2000116.6
2033V30.1Very low28.8Very low99 Ų99134.4 Ų134.460%0.671%0.712SS**  81.3122.565.6165.30000112.2D2035V2033-D2035 VanDerWaalsContact CG1-OD2 3.27Å; V2033-D2035 WeakPolarHBondContact CG1-OD2 3.48Å
2034I32.4Very low28.9Very low154 Ų154132.6 Ų132.679%0.7971%0.708SS**  -164.9110.3112.8-85.7156.5000104
2035D29.2Very low28.9Very low131 Ų131134.5 Ų134.570%0.70172%0.716SS**  66.5151.471.5-76.4-29.5000115V2033V2033-D2035 VanDerWaalsContact CG1-OD2 3.27Å; V2033-D2035 WeakPolarHBondContact CG1-OD2 3.48Å
2036S28.7Very low29.2Very low110 Ų110135.1 Ų135.177%0.76972%0.722SS**  trans92.781.2-178.2-39.40000114
2037E28Very low29.1Very low175 Ų175136.6 Ų136.682%0.81873%0.725SS**  71.3104.350.9-162.7-167.6-140.700114.4
2038S26.6Very low29Very low98 Ų98132.1 Ų132.169%0.68571%0.707SS**  trans65.8174.9161.187.40000116.3
2039T27.2Very low28.9Very low108 Ų108130 Ų13066%0.66371%0.711SS**  cis-150.2149.98.4-4.90000110.4
2040L26.3Very low28.7Very low140 Ų140127.7 Ų127.773%0.73371%0.705SS**  trans39.2134.2139.9-66.5172.7000122.7
2041I26.9Very low28.8Very low155 Ų155128.4 Ų128.480%0.79571%0.708SS**  trans72.1131.9139.5-66.3165.8000116.9
2042A29.7Very low29.1Very low69 Ų69129.1 Ų129.157%0.5771%0.708SS**  cis-167.3177.8-15.500000108.4
2043D30.9Very low29.5Very low151 Ų151127.7 Ų127.781%0.80771%0.705SS**  trans45.4112.2156-55.8-24.5000117.5
2044T28.7Very low29.3Very low112 Ų112128.9 Ų128.969%0.68771%0.708SS**  -162.6132.550.2480000115.6
2045Q27.3Very low29Very low178 Ų178127.6 Ų127.683%0.83270%0.703SS**  trans63.5133.3143-59.9170.167.900120.9
2046L36.2Very low29.2Very low149 Ų149127 Ų12778%0.7870%0.704SS**  cis-166.4150-31.2-156.375.9000108.7
2047E26.9Very low29.1Very low159 Ų159127.1 Ų127.174%0.74370%0.7SS**  trans72.8162.3173.4-64175.1-17800116.5
2048E27Very low29.1Very low93 Ų93124.6 Ų124.644%0.43569%0.692SS.*  trans76.482.4170.7-49.7-178.4-171.100116.9P1959 H1960 H1961P1959-E2048 WeakPolarHBondContact O-CB 3.45Å; P1959-E2048 VanDerWaalsContact O-CG 3.27Å; P1959-E2048 WeakPolarHBondContact O-CG 3.27Å; H1960-E2048 HydrophobicContact CB-CG 4.05Å; H1960-E2048 VanDerWaalsContact CB-OE1 3.25Å; H1960-E2048 WeakPolarHBondContact CB-OE1 3.16Å; H1961-E2048 PolarHBondContact N-OE1 2.65Å; H1961-E2048 PolarHBondContact N-OE2 3.03Å
2049S26.9Very low29.2Very low104 Ų104125.7 Ų125.773%0.72769%0.69SS**  trans180131.815623.60000113.7
2050T26.5Very low29.2Very low73 Ų73125.4 Ų125.445%0.44869%0.693SS.*  -154.3117.1126.69.90000110.1E1956 S1957E1956-T2050 CarbonylContact C-O 3.58Å; E1956-T2050 WeakPolarHBondContact O-CB 3.4Å; S1957-T2050 CarbonylContact C-O 3.28Å; S1957-T2050 VanDerWaalsContact N-CB 3.31Å; S1957-T2050 PolarHBondContact N-O 3.17Å; S1957-T2050 PolarHBondContact N-OG1 3.25Å; S1957-T2050 VanDerWaalsContact N-OG1 3.09Å; S1957-T2050 CarbonylContact O-C 3.5Å; S1957-T2050 WeakPolarHBondContact O-CA 3.38Å; S1957-T2050 PolarHBondContact O-N 2.89Å; S1957-T2050 PolarHBondContact O-OG1 3.29Å; S1957-T2050 VanDerWaalsContact O-OG1 3.11Å; S1957-T2050 PolarHBondContact OG-OG1 2.84Å
2051L32.2Very low29.3Very low153 Ų153123.5 Ų123.580%0.80169%0.691SS**  trans-146.1138.8155.5-123.7-179000108.4
2052Q33.7Very low29.6Very low156 Ų156119.9 Ų119.973%0.72969%0.685SS**  trans85.7113.3165-56.1-162.3-54.300118.5
2053T38.3Very low29.7Very low114 Ų114122.2 Ų122.270%0.69970%0.697SS**  66.1135.4129.161.80000119
2054N26.8Very low29.7Very low124 Ų124120.3 Ų120.366%0.66369%0.686SS**  -159.4134.1102.1-111.441.6000111.7
2055D26.1Very low30Very low128 Ų128122.8 Ų122.868%0.68469%0.687SS**  trans62.7172.1150.2-45.5-36.3000116.4
2056T31.5Very low30.2Very low118 Ų118121.3 Ų121.372%0.72468%0.68SS**  cis-154.3152.214.5-21.90000111.7
2057V28.2Very low30.1Very low112 Ų112118.8 Ų118.868%0.67967%0.671SS**  trans62.9102.6135.1149.50000117.9
2058D27.7Very low30.3Very low122 Ų122118.5 Ų118.565%0.65267%0.669SS**  100.3128.3107.4-79.312.3000122.9
2059N28.6Very low30.6Very low121 Ų121120.7 Ų120.765%0.64768%0.68SS**  66.1105.3125.7-68.4-41.6000120.5
2060S28Very low30.9Very low103 Ų103122.9 Ų122.972%0.7268%0.683SS**  82164.6109.993.10000116.3
2061S28Very low31.3Very low99 Ų99122.5 Ų122.569%0.69269%0.693SS**  cis-163.9167.7-22.938.20000109.6
2062A32.4Very low31.3Very low80 Ų80124.4 Ų124.466%0.66170%0.696SS**  trans30.7111.5142.100000118.4
2063S31.4Very low31.2Very low117 Ų117122.5 Ų122.582%0.81870%0.695SS**  -156.3131.7121.9-178.50000113.5
2064I32.2Very low31.1Very low112 Ų112121.5 Ų121.557%0.57470%0.698SS**  cis-170.4147.1-26.2-137.8166.9000108.5
2065K33.9Very low31.4Very low163 Ų163121.7 Ų121.771%0.70970%0.704SS**  trans69.6151.8159.1-63.8171.7-166.1177.20117
2066Q32.5Very low31.5Very low148 Ų148123.8 Ų123.869%0.69272%0.715SS**  cis-159.4140.4-1-130.6179.6-93.100116.4
2067T32.8Very low31.5Very low96 Ų96122 Ų12259%0.58972%0.72SS**  trans60142.2140.934.80000123.9
2068Q32.6Very low31.7Very low152 Ų152124.9 Ų124.971%0.7172%0.72SS**  trans76.2138.5146-74.7-177.4-80.100118.6
2069E32.2Very low32.1Very low139 Ų139125.4 Ų125.465%0.6573%0.727SS**  cis-160.8161.9-18.8-138.3154-146.200108.5
2070D33Very low32.2Very low151 Ų151125.4 Ų125.481%0.80773%0.727SS**  trans47.7136164.1-57.1-25.6000121.5
2071G35.9Very low32.4Very low64 Ų64127.4 Ų127.466%0.6673%0.73SS**  cis165.2160.9-8.500000115.2
2072F31.8Very low32.4Very low194 Ų194130.5 Ų130.585%0.85173%0.733SS**  trans65.6145.2160.3-78.3-105000120.6
2073V31.9Very low32.1Very low116 Ų116131.4 Ų131.470%0.70373%0.733SS**  cis176.7129.8-40.5133.40000108.1
2074A34.9Very low32Very low93 Ų93132.6 Ų132.677%0.76973%0.729SS**  trans169.2135.8147.800000111.2
2075T33Very low31.8Very low128 Ų128133.9 Ų133.979%0.78574%0.737SS**  cis-165.6128.5-36.52.80000108
2076D29.7Very low31.6Very low172 Ų172132 Ų13292%0.9273%0.733SS**  trans-72.8162175.4-69.3-65.9000114.1
2077G30.9Very low31.4Very low81 Ų81133.6 Ų133.684%0.83574%0.741SS**  trans-143.899.4173.800000112.4
2078Y32.9Very low31.2Very low172 Ų172132.1 Ų132.168%0.67574%0.744SS**  trans-114126-176.3-149.2-83.6000109.9
2079V34.7Very low31.1Very low133 Ų133130.2 Ų130.281%0.80675%0.748SS**  trans-152113.2171.6-170.90000105.3
2080D31.3Very low30.9Very low121 Ų121132.8 Ų132.865%0.64776%0.76SS**  70.914663.9-75.3-16.8000115.7
2081D31.7Very low30.6Very low145 Ų145129 Ų12978%0.77576%0.756SS**  trans48.2118.6163.2-63.4-13.2000120.1
2082E27.9Very low30.2Very low164 Ų164129.5 Ų129.577%0.76676%0.762SS**  63.5104.570.8-77.4-118.1161.700114.6
2083C26.3Very low30Very low98 Ų98124.1 Ų124.166%0.66275%0.748SS**  trans73.1172.9134.5-650000119.8
2084I29.4Very low29.8Very low143 Ų143123.4 Ų123.473%0.73374%0.737SS**  trans69.293.8151.4-73.2156.5000119.1
2085L29.4Very low29.6Very low139 Ų139122 Ų12273%0.72872%0.715SS**  71.2129.6122.6-60-174.6000122.6
2086I28.6Very low29.4Very low123 Ų123119.4 Ų119.463%0.63170%0.697SS**  80.1106.1127.1-69.8173.3000119.9
2087E28.3Very low29.4Very low182 Ų182115.5 Ų115.585%0.8568%0.676SS**  trans60.7-176.1133.4-55.1-179.1158.500119.1
2088G29.1Very low29.5Very low64 Ų64116.9 Ų116.966%0.6667%0.669SS**  trans67.884178.400000114.8
2089S29.5Very low29.5Very low113 Ų113116.5 Ų116.579%0.7967%0.673SS**  cis54.164.232.3-175.30000114.1
2090Q27.9Very low29.3Very low193 Ų193116.4 Ų116.490%0.90267%0.668SS**  trans-158.398.2154-111.7158.297.300109
2091G27.9Very low29.4Very low71 Ų71119.1 Ų119.173%0.73268%0.677SS**  cis104.798.3100000111.4
2092G27Very low29.6Very low75 Ų75118.7 Ų118.777%0.77367%0.674SS**  trans71.5169.6-165.700000111.9
2093S27.3Very low30.3Very low80 Ų80117.6 Ų117.656%0.55967%0.672SS**  cis-169.2148.5-12.4-161.40000106.2
2094Q27.8Very low30.4Very low101 Ų101117.4 Ų117.447%0.47267%0.672SS.*  138.3142129.2-73.5140-1600118.2Y2012 D2013Y2012-Q2094 VanDerWaalsContact O-CG 3.31Å; Y2012-Q2094 WeakPolarHBondContact O-CG 3.22Å; Y2012-Q2094 PolarHBondContact O-NE2 3.29Å; D2013-Q2094 VanDerWaalsContact CA-CD 3.46Å; D2013-Q2094 VanDerWaalsContact CA-CG 3.47Å; D2013-Q2094 PolarHBondContact O-NE2 3.15Å
2095I30.4Very low30.6Very low63 Ų63117 Ų11732%0.32368%0.678SS.*  cis-168.8-172.9-35.7-128.7153.8000111.6Y2012 D2013Y2012-I2095 HydrophobicContact CD1-CG2 4.34Å; D2013-I2095 WeakPolarHBondContact OD1-CG2 3.31Å; D2013-I2095 WeakPolarHBondContact OD2-CG2 3.42Å
2096N29.7Very low30.6Very low74 Ų74116.2 Ų116.240%0.39668%0.679SS.*  trans83.2110.9174.4-59.1-46000114.2Y2012 D2013Y2012-N2096 WeakPolarHBondContact CE1-OD1 3.46Å; Y2012-N2096 PolarHBondContact OH-OD1 3.37Å; D2013-N2096 PolarHBondContact OD2-ND2 3.06Å
2097N30.4Very low30.7Very low90 Ų90116.2 Ų116.248%0.48168%0.681SS.*  80.5136.872.2-63.6-17.7000110.5S2011 Y2012S2011-N2097 PolarHBondContact OG-ND2 2.93Å; S2011-N2097 VanDerWaalsContact OG-ND2 3.1Å; S2011-N2097 PolarHBondContact OG-OD1 3.33Å; Y2012-N2097 PolarHBondContact OH-ND2 3.16Å
2098T32.7Very low30.6Very low111 Ų111114.3 Ų114.368%0.68168%0.681SS**  cis-152.8163.123.3-21.20000113.2
2099E33Very low30.7Very low163 Ų163118.7 Ų118.776%0.76268%0.684SS**  trans63.283.9149.2-79.7149-144.100121.2
2100D30.7Very low30.5Very low132 Ų132118.8 Ų118.871%0.70668%0.675SS**  41.7153.1114.9-65.8-67.5000125.3
2101Q33.8Very low30.5Very low177 Ų177116.7 Ų116.783%0.82767%0.67SS**  trans85.3116.1163.7-44.7-166.531.400118.4
2102L34.4Very low30.5Very low137 Ų137118.4 Ų118.472%0.71766%0.659SS**  cis175.6128.3-23.1-104.1156.7000105.2
2103I43.5Very low30.5Very low141 Ų141122.3 Ų122.372%0.72365%0.651SS**  cis-153.6148.2-0.6-6.3178.6000110.9
2104S28Very low30.4Very low94 Ų94122.3 Ų122.366%0.65765%0.645SS**SBendtrans69.9153.7152.578.90000119.7T2106S2104-T2106 PolarHBondContact O-OG1 2.82Å
2105P33.3Very low30.4Very low133 Ų133123.5 Ų123.586%0.86465%0.649SS**  -85.1102.7-93.733.9-25.3000111
2106T30Very low30.2Very low123 Ų123125.2 Ų125.276%0.75567%0.666SS**  trans-118.9123.4-175.5-35.60000113S2104S2104-T2106 PolarHBondContact O-OG1 2.82Å
2107N30Very low30.4Very low124 Ų124127.2 Ų127.266%0.66368%0.683SS**  trans15.2111.6156.6-60.7-22.9000120.9
2108V25.8Very low30.3Very low141 Ų141130.8 Ų130.886%0.85570%0.701SS**  -142.6108.5129.2-178.20000104
2109Q31.4Very low30Very low156 Ų156132.5 Ų132.573%0.72971%0.706SS**  cis48.484.130-85.1-155.9100113.8
2110I26.7Very low29.9Very low115 Ų115130.6 Ų130.659%0.5971%0.705SS**  -174.1124.6116.6-92.2152.6000110.9Q2112I2110-Q2112 HydrophobicContact CG1-CG 4.17Å; I2110-Q2112 HydrophobicContact CG2-CB 4.33Å; I2110-Q2112 HydrophobicContact CG2-CG 4.04Å
2111N27.8Very low29.7Very low149 Ų149133.3 Ų133.380%0.79771%0.713SS**  trans174.260.5151-92.7-17.8000104.3
2112Q27.2Very low29.3Very low107 Ų107133 Ų13350%0.571%0.712SS.*  52.796.376.3-83.1-163.3600113.1I2110 N2114I2110-Q2112 HydrophobicContact CG1-CG 4.17Å; I2110-Q2112 HydrophobicContact CG2-CB 4.33Å; I2110-Q2112 HydrophobicContact CG2-CG 4.04Å; Q2112-N2114 PolarHBondContact OE1-ND2 2.81Å; Q2112-N2114 VanDerWaalsContact OE1-ND2 3.12Å
2113Y27Very low29Very low158 Ų158131.9 Ų131.962%0.6272%0.716SS**  -111123.1118.6-86.7-92.5000110.6P2243Y2113-P2243 HydrophobicContact CD1-CB 3.93Å; Y2113-P2243 HydrophobicContact CD1-CG 3.74Å; Y2113-P2243 HydrophobicContact CD2-CB 3.62Å; Y2113-P2243 HydrophobicContact CD2-CG 4.13Å; Y2113-P2243 HydrophobicContact CE1-CB 4.31Å; Y2113-P2243 HydrophobicContact CE1-CG 4.48Å; Y2113-P2243 HydrophobicContact CE2-CB 4.03Å; Y2113-P2243 HydrophobicContact CG-CB 3.56Å; Y2113-P2243 HydrophobicContact CG-CG 3.53Å
2114N25.1Very low28.5Very low79 Ų79130.1 Ų130.142%0.42271%0.713SS.*  trans-73.7171.3169.9-52.6-53.3000108.3Q2112Q2112-N2114 PolarHBondContact OE1-ND2 2.81Å; Q2112-N2114 VanDerWaalsContact OE1-ND2 3.12Å
2115F26.9Very low28.3Very low126 Ų126133.7 Ų133.755%0.55372%0.72SS**  -148.8139.451.4-87.4-99000114.5L1690L1690-F2115 HydrophobicContact CD1-CD2 3.86Å; L1690-F2115 HydrophobicContact CD1-CE2 3.66Å; L1690-F2115 HydrophobicContact CD2-CE2 3.8Å; L1690-F2115 HydrophobicContact CD2-CZ 4.41Å; L1690-F2115 HydrophobicContact CG-CD2 4.3Å; L1690-F2115 HydrophobicContact CG-CE2 3.58Å; L1690-F2115 HydrophobicContact CG-CZ 4.09Å
2116S27.1Very low28.1Very low100 Ų100133 Ų13370%0.69971%0.713SS**  trans-86.9-170.4159-5.20000110
2117P33.5Very low28.1Very low115 Ų115133.4 Ų133.475%0.74771%0.71SS**  cis-126.1-164.3-26.838-21.6000110.3
2118I28.9Very low28.1Very low166 Ų166132.8 Ų132.885%0.85171%0.707SS**  -160.1146.1129.9-105.1156.3000109.1
2119N25.4Very low28.6Very low147 Ų147130.9 Ų130.979%0.78669%0.692SS**  trans-88.4161.5177.9-105.6-11.8000111.6E2121N2119-E2121 PolarHBondContact O-N 3.33Å
2120V30.8Very low29Very low122 Ų122131.6 Ų131.674%0.73969%0.693SS**  trans-15.2123.8142.4-173.80000113.9
2121E26.6Very low29.7Very low189 Ų189132.2 Ų132.288%0.88370%0.697SS**  -160.6164.9121.3-112.3166.4-158.300112.6N2119N2119-E2121 PolarHBondContact O-N 3.33Å
2122E26Very low30.2Very low170 Ų170132.4 Ų132.479%0.79470%0.698SS**  trans-92.7136.8-159.5-56.2174.812300113
2123S27.5Very low30.5Very low115 Ų115130.7 Ų130.780%0.80471%0.71SS**  trans65.9-177.2149.5-52.20000115.2
2124P32.8Very low31Very low104 Ų104129.2 Ų129.268%0.67572%0.717SS**  cis-122-178.6-11.342.4-28.7000113.9
2125E25.3Very low31.3Very low169 Ų169133.4 Ų133.479%0.7973%0.732SS**  trans44108.5141-72.4173.5171.800119.3
2126V29.3Very low31.4Very low118 Ų118133 Ų13372%0.71574%0.735SS**  82.7149.874159.90000112.1
2127N28.5Very low31.5Very low131 Ų131135.6 Ų135.670%0.70174%0.741SS**  trans74.9135.2172.1-73-11.7000117
2128N31.2Very low31.1Very low111 Ų111134.2 Ų134.259%0.59473%0.734SS**  cis-167.2176.7-15.4-132.512.5000113.5
2129D34.8Very low30.9Very low101 Ų101130.8 Ų130.854%0.5473%0.725SS.*  trans45.7103.3142.1-58.8-30.4000118.5
2130K40.9Very low30.9Very low172 Ų172127 Ų12775%0.74871%0.71SS**  174.5138.1102.7-86.3142.8-150.395.70109.4
2131N40.6Very low30.6Very low128 Ų128127.3 Ų127.368%0.68472%0.717SS**SBendcis-149.6152.25.9-113-25.1000111.4
2132N37.9Very low30.9Very low152 Ų152122.1 Ų122.181%0.81369%0.693SS**  trans63.7125170.9-47.6-27.9000114.1
2133G35.5Very low31.3Very low72 Ų72117.1 Ų117.174%0.74268%0.675SS**  cis113.3158.326.800000108.7
2134T36.9Very low31.3Very low126 Ų126119.8 Ų119.877%0.77368%0.678SS**  cis-156.2113.52.7-62.80000104.2
2135K31.7Very low31Very low168 Ų168118.5 Ų118.573%0.7368%0.676SS**  65145.2100.7-150.6-160.7168.2-137.30115.1
2136D29Very low31Very low117 Ų117117.2 Ų117.263%0.62667%0.673SS**  trans69.991.3167.1-59.5-34.1000117.5
2137N28Very low30.8Very low154 Ų154115.9 Ų115.982%0.82466%0.662SS**  71.3174.1124-143.28.2000120.2
2138S25Very low30.6Very low86 Ų86114.4 Ų114.460%0.60166%0.657SS**  trans-31.6138.616754.40000115.8
2139S25Very low30.3Very low94 Ų94115.2 Ų115.266%0.65766%0.662SS**  cis-175.4156.52.639.40000111.5
2140S26.2Very low30Very low68 Ų68116 Ų11648%0.47667%0.666SS.*  trans59.1100.9176.666.50000113Q2142S2140-Q2142 WeakPolarHBondContact O-CB 3.38Å; S2140-Q2142 VanDerWaalsContact O-CD 3.3Å; S2140-Q2142 WeakPolarHBondContact O-CG 3.3Å; S2140-Q2142 PolarHBondContact O-NE2 3.15Å; S2140-Q2142 VanDerWaalsContact O-NE2 3.1Å; S2140-Q2142 PolarHBondContact OG-NE2 2.86Å
2141S24.8Very low29.5Very low128 Ų128114.8 Ų114.890%0.89567%0.668SS**  trans-137.868.4-169-56.90000112.4
2142Q31.9Very low29.2Very low81 Ų81113.3 Ų113.338%0.37967%0.667SS.*  cis-167.9-146.3-23-152.8176.151.100108.8S2140 I2144 I2146 L2147S2140-Q2142 WeakPolarHBondContact O-CB 3.38Å; S2140-Q2142 VanDerWaalsContact O-CD 3.3Å; S2140-Q2142 WeakPolarHBondContact O-CG 3.3Å; S2140-Q2142 PolarHBondContact O-NE2 3.15Å; S2140-Q2142 VanDerWaalsContact O-NE2 3.1Å; S2140-Q2142 PolarHBondContact OG-NE2 2.86Å; Q2142-I2144 CarbonylContact O-C 3.47Å; Q2142-I2146 CarbonylContact C-O 3.53Å; Q2142-I2146 PolarHBondContact O-N 3.44Å; Q2142-L2147 HydrophobicContact CG-CB 4.41Å; Q2142-L2147 HydrophobicContact CG-CD1 3.94Å; Q2142-L2147 HydrophobicContact CG-CG 4.14Å
2143T35.3Very low29.2Very low65 Ų65111.4 Ų111.440%0.39966%0.661SS.*THydrogen-bonded Turntrans-64.8134.6144.4-1670000110A2145 I2146 L2147T2143-A2145 VanDerWaalsContact CA-C 3.49Å; T2143-I2146 VanDerWaalsContact N-C 3.32Å; T2143-I2146 PolarHBondContact N-O 3.5Å; T2143-L2147 HydrophobicContact CG2-CB 3.86Å
2144I26Very low29.4Very low171 Ų171114 Ų11488%0.87766%0.658SS**THydrogen-bonded Turncis-71.5130.74.9-54.1173.4000111.3Q2142Q2142-I2144 CarbonylContact O-C 3.47Å
2145A28.3Very low29.3Very low77 Ų77113.3 Ų113.364%0.63665%0.65SS**THydrogen-bonded Turncis-85-17.7-17.100000119.1T2143 L2147T2143-A2145 VanDerWaalsContact CA-C 3.49Å; A2145-L2147 PolarHBondContact O-N 3.2Å
2146I25.4Very low29.5Very low141 Ų141112.5 Ų112.572%0.72365%0.646SS**SBendtrans-87.369.3-156.8-42.1178.2000114.2Q2142 T2143Q2142-I2146 CarbonylContact C-O 3.53Å; Q2142-I2146 PolarHBondContact O-N 3.44Å; T2143-I2146 VanDerWaalsContact N-C 3.32Å; T2143-I2146 PolarHBondContact N-O 3.5Å
2147L25.1Very low29.6Very low91 Ų91113.3 Ų113.348%0.47665%0.65SS.*SBendtrans-173.9159.7157.2-105.9-169000112Q2142 T2143 A2145Q2142-L2147 HydrophobicContact CG-CB 4.41Å; Q2142-L2147 HydrophobicContact CG-CD1 3.94Å; Q2142-L2147 HydrophobicContact CG-CG 4.14Å; T2143-L2147 HydrophobicContact CG2-CB 3.86Å; A2145-L2147 PolarHBondContact O-N 3.2Å
2148T23.9Very low29.7Very low100 Ų100111.4 Ų111.461%0.61364%0.644SS**  trans-27139.8162.251.20000114.7
2149D25Very low29.8Very low128 Ų128112.8 Ų112.868%0.68465%0.649SS**  -151.3141.863.2-95.8-42.1000116.1
2150N27.8Very low29.9Very low116 Ų116113.7 Ų113.762%0.6265%0.651SS**  trans43.6106.1138.2-47.8-37.9000119
2151N31.3Very low29.9Very low148 Ų148116 Ų11679%0.79166%0.662SS**  -168.7137.785.6-94.6-46.2000114.6
2152S33.8Very low30Very low96 Ų96114.6 Ų114.667%0.67165%0.652SS**  trans40.3131.614167.70000120.9
2153T38.3Very low29.8Very low113 Ų113117.3 Ų117.369%0.69367%0.669SS**  cis-168.7158.18.23.60000111.5
2154N38.8Very low29.6Very low126 Ų126122.2 Ų122.267%0.67469%0.691SS**  trans65.4107.2156.1-57.5-9.3000115.9
2155D35.9Very low29.6Very low112 Ų112117.5 Ų117.560%0.59969%0.685SS**  98.4139.576.7-82.8-23.5000110.7
2156K35.7Very low30Very low150 Ų150119.4 Ų119.465%0.65269%0.691SS**  cis-156.5141.11-125152.7-168.5139.10111.6
2157N31.2Very low30.2Very low134 Ų134118.6 Ų118.672%0.71769%0.688SS**  trans44117.7130.7-70.46.8000119.8
2158V29.1Very low30.4Very low115 Ų115122.1 Ų122.170%0.69770%0.702SS**  106.411388.7154.50000109.4
2159V27Very low30.7Very low115 Ų115121.8 Ų121.870%0.69771%0.71SS**  94.5128.666134.20000113
2160T26.8Very low31.2Very low113 Ų113122.9 Ų122.969%0.69371%0.714SS**  trans67.2129.2160.450.40000121.8
2161T26.9Very low31.4Very low115 Ų115123.9 Ų123.971%0.70672%0.719SS**  trans67.4101.4133.559.90000120.8
2162S26.4Very low31.4Very low99 Ų99123.4 Ų123.469%0.69271%0.712SS**  87.8163.1107.379.70000120.4
2163L28.1Very low31.4Very low139 Ų139128.1 Ų128.173%0.72872%0.715SS**  trans78.1110.9160.8-66.2163000118.1
2164L30Very low31.1Very low167 Ų167129.5 Ų129.587%0.87472%0.718SS**  trans65119.4133.9-64.4168000119.6
2165G27.6Very low30.9Very low72 Ų72131 Ų13174%0.74273%0.725SS**  trans153.2116139.500000113.3
2166P36.4Very low30.5Very low118 Ų118131.9 Ų131.977%0.76673%0.734SS**  trans-104.1-175.9-178.641.5-35.2000112.9
2167N29Very low30.5Very low124 Ų124129.8 Ų129.866%0.66374%0.736SS**  trans92112.6160.7-68.135.7000119.5
2168E29.9Very low30.4Very low164 Ų164131 Ų13177%0.76674%0.742SS**  74.1101.7121.5-63172.1135.100121.3
2169A30.2Very low30.5Very low94 Ų94131.7 Ų131.778%0.77775%0.746SS**  93.4170.6114.900000121.2
2170I34.7Very low30.7Very low151 Ų151133.7 Ų133.777%0.77475%0.753SS**  trans84.781.5169.9-46.4-177.3000117
2171D31.7Very low31.1Very low137 Ų137133.8 Ų133.873%0.73376%0.755SS**  54.7124.2115-67-22.9000124.1
2172E32Very low31.6Very low138 Ų138133 Ų13365%0.64575%0.752SS**  83152.1125.3-77.5-161.1140.900124.5
2173R34.3Very low31.8Very low194 Ų194135.1 Ų135.173%0.73276%0.755SS**  trans8592.5150.3-75155-151.7-150.28.4122.2
2174N30.9Very low32.1Very low142 Ų142135.2 Ų135.276%0.75976%0.755SS**  80.7147.8102.3-83.1-7.5000124.5
2175I34.6Very low32.2Very low159 Ų159131.9 Ų131.982%0.81574%0.738SS**  trans93.6110.4148.5-70.9150.8000120.3
2176T28.7Very low32.4Very low129 Ų129133.9 Ų133.979%0.79173%0.732SS**  trans-76.7165.7157.55.30000111.4
2177P34.3Very low32.3Very low106 Ų106134.9 Ų134.969%0.68873%0.731SS**  -162.917765.443.9-21.1000120.6
2178L29.2Very low32.6Very low159 Ų159136.8 Ų136.883%0.83274%0.736SS**  trans44.5130.5147.4-9389.2000123.3
2179T32.3Very low32.9Very low130 Ų130138.3 Ų138.380%0.79874%0.743SS**  165150107.6-63.70000112.6
2180L30.7Very low33.1Very low158 Ų158139.8 Ų139.883%0.82774%0.736SS**  trans-107.1177.5177.6-75.4134.9000111.6
2181P35.9Very low33.3Very low115 Ų115140.1 Ų140.175%0.74774%0.737SS**  cis-117.8-124.6-19.725.11.4000108.2
2182P36.4Very low33.6Very low99 Ų99139 Ų13964%0.64373%0.731SS**  cis-138.5170.9-24.543-24.8000118.1
2183D31.4Very low33.8Very low142 Ų142140.8 Ų140.876%0.75974%0.736SS**  trans52.7133.4135.6-63.8-0.3000126.8
2184I34.9Very low33.9Very low142 Ų142138.3 Ų138.373%0.72874%0.737SS**  trans93.9106.6133.4-73.6167.5000122.5
2185N30.8Very low34Very low96 Ų96135.8 Ų135.851%0.51373%0.731SS.*  72.4129.8129.8-68.159.8000127.2
2186N31.9Very low34Very low115 Ų115135.6 Ų135.662%0.61573%0.727SS**  90.6151125.8-71.820.7000125.1
2187N33.7Very low34.1Very low138 Ų138135.9 Ų135.974%0.73872%0.723SS**  trans80.4125.7166.1-36.9-69.5000115.2
2188E35.3Very low33.8Very low165 Ų165138.5 Ų138.577%0.77172%0.723SS**  cis81.4112.333.6-64.5-156.915200116.7
2189E37Very low33.8Very low196 Ų196136.5 Ų136.592%0.91671%0.713SS**  trans-146.3155.8152.6-81.2-163.5128.900109.2
2190I35.4Very low33.9Very low124 Ų124138 Ų13864%0.63672%0.717SS**  -165.7154.4-71.8-99.3163.2000108.8
2191M38.6Very low33.9Very low159 Ų159135.6 Ų135.678%0.78371%0.708SS**  trans78.7146.8-179.8-49.6-143.6-169.500116.1
2192N36.6Very low33.9Very low113 Ų113137.1 Ų137.160%0.60472%0.716SS**  cis-149.9122.3-1.9-107.4-31.9000107.6
2193K37Very low33.5Very low175 Ų175135.1 Ų135.176%0.76171%0.713SS**  89.4141.293.4-84.5-172.3-176.9170.20117.1
2194N36.2Very low34Very low142 Ų142135.5 Ų135.576%0.75972%0.715SS**  trans72.3124.8173.7-52.20.7000112.8
2195S33.6Very low33.9Very low90 Ų90134.7 Ų134.763%0.62971%0.712SS**  cis70.4135.926.6124.80000113.2
2196E33.4Very low33.9Very low155 Ų155138.6 Ų138.672%0.72472%0.724SS**  cis-161.1155.34.8-121.8159121.100112.3
2197L31.2Very low33.6Very low134 Ų134139 Ų13970%0.70272%0.723SS**  trans40.5125.5143.2-68.3165.2000122.9
2198K28.7Very low33.3Very low162 Ų162138.5 Ų138.570%0.70472%0.72SS**  94.5135.7123.9-81.9-177.2162.3-155.20124.3
2199D29.3Very low33.2Very low116 Ų116139.1 Ų139.162%0.6272%0.723SS**  trans51.967.6130.6-50.1-24.4000120.8T2201D2199-T2201 PolarHBondContact O-OG1 2.92Å
2200D35.2Very low32.8Very low163 Ų163134.9 Ų134.987%0.87271%0.712SS**  trans-115.9117.8142.7-83.1-46.8000107.9
2201T29.9Very low32.4Very low106 Ų106136.7 Ų136.765%0.6572%0.718SS**  cis80.380.134.9-44.90000113.9D2199D2199-T2201 PolarHBondContact O-OG1 2.92Å
2202V34.9Very low31.8Very low148 Ų148134.5 Ų134.590%0.89771%0.714SS**  trans44.4108.6132.8-176.60000117.6
2203G28.6Very low31.4Very low57 Ų57134.7 Ų134.759%0.58872%0.719SS**  trans16575.1160.700000117.3
2204D42.4Very low31.1Very low150 Ų150133.1 Ų133.180%0.80272%0.716SS**  -171.3103119.9-95.9-22.2000109.3
2205N32.4Very low31Very low124 Ų124133.7 Ų133.766%0.66372%0.716SS**  75.713464.5-67.8-46.8000112.5
2206K30.5Very low30.8Very low178 Ų178133.2 Ų133.277%0.77471%0.713SS**  trans72.3152.1168.5-56.8161.9154.1-78.50115.3
2207E26.6Very low30.5Very low125 Ų125132.6 Ų132.658%0.58471%0.714SS**  cis-158.1148-20.4-117175.793.300108.3
2208N25.9Very low30.4Very low126 Ų126131.6 Ų131.667%0.67471%0.714SS**  trans55.2139.1149.8-42.4-31.9000120.7
2209Q32.7Very low30.5Very low178 Ų178129 Ų12983%0.83271%0.712SS**  -26138.2128.3-77.4179.2-37.400112.5
2210P29.2Very low30.8Very low108 Ų108131.5 Ų131.570%0.70172%0.72SS**  -120.6155.870.91211.4000111.2
2211E27.2Very low30.9Very low162 Ų162129.1 Ų129.176%0.75771%0.707SS**  54.3105.766.3-135.2179.3-135.300107.5
2212T26.9Very low31.8Very low113 Ų113130.3 Ų130.369%0.69371%0.71SS**  166.7140.895410000106
2213T28Very low32.7Very low116 Ų116127.3 Ų127.371%0.71269%0.692SS**  69.4117.1112.6-60.80000114.6
2214M31.1Very low34.4Very low142 Ų142129.9 Ų129.970%0.769%0.688SS**  cis-153.7157.76-97.8-81.8176.600110
2215M33.8Very low35.7Very low154 Ų154128.6 Ų128.676%0.75968%0.676SS**  trans55.5109.9152.1-66.617017400116.3
2216S28.6Very low37.4Very low81 Ų81126.1 Ų126.157%0.56666%0.662SS**  57.813164.386.30000112.2
2217D27.6Very low39.2Very low141 Ų141119.3 Ų119.375%0.75463%0.634SS**  54.4124.6125.7-49.7-10.8000117
2218T28.7Very low41.3Very low114 Ų114118.1 Ų118.170%0.69963%0.631SS**  cis-173.3171.723.6-1.90000110
2219T31.2Very low43.6Very low108 Ų108116.3 Ų116.366%0.66362%0.622SS**  trans63.6170.9148.250.10000120N2221T2219-N2221 PolarHBondContact O-N 2.9Å
2220E36.4Very low45.4Very low168 Ų168113.1 Ų113.179%0.78561%0.605SS**SBendtrans61.734.1149.5-75.3176165.100119.4
2221N36.1Very low47.4Very low112 Ų112111.5 Ų111.560%0.59959%0.59SS**SBendtrans-138.7-35.8169.6-112.4-104.8000118T2219 V2223 E2224 K2225T2219-N2221 PolarHBondContact O-N 2.9Å; N2221-V2223 VanDerWaalsContact C-N 3.29Å; N2221-V2223 PolarHBondContact O-N 3.28Å; N2221-E2224 PolarHBondContact O-N 2.98Å; N2221-K2225 WeakPolarHBondContact O-CB 3.44Å; N2221-K2225 PolarHBondContact O-N 3.17Å
2222D48.6Very low49.7Very low131 Ų131106.7 Ų106.770%0.70157%0.574SS**Hα-helixtrans-66.7-30.5177.8-77.6-48.5000112.9K2225 D2226D2222-K2225 PolarHBondContact O-N 2.77Å; D2222-D2226 WeakPolarHBondContact O-CB 3.44Å; D2222-D2226 PolarHBondContact O-N 3.43Å
2223V54.8Low51.9Low86 Ų86107.8 Ų107.852%0.52157%0.571SS.*Hα-helixtrans-69.6-40.8171.9179.90000111.4N2221 K2225 D2226 I2227 I2260N2221-V2223 VanDerWaalsContact C-N 3.29Å; N2221-V2223 PolarHBondContact O-N 3.28Å; V2223-K2225 VanDerWaalsContact C-N 3.3Å; V2223-K2225 PolarHBondContact O-N 3.44Å; V2223-D2226 PolarHBondContact O-N 2.81Å; V2223-I2227 HydrophobicContact CG1-CD1 3.87Å; V2223-I2227 HydrophobicContact CG1-CG1 4.46Å; V2223-I2227 VanDerWaalsContact O-CB 3.28Å; V2223-I2227 WeakPolarHBondContact O-CB 3.26Å; V2223-I2227 WeakPolarHBondContact O-CD1 3.32Å; V2223-I2227 WeakPolarHBondContact O-CG1 3.4Å; V2223-I2227 PolarHBondContact O-N 3.24Å; V2223-I2260 HydrophobicContact CG1-CG2 4.25Å
2224E62.9Low53.9Low111 Ų111104 Ų10452%0.51955%0.546SS..Hα-helixtrans-65.9-36.5175.5-171.8172.4-16200111N2221 I2227 L2228N2221-E2224 PolarHBondContact O-N 2.98Å; E2224-I2227 PolarHBondContact O-N 2.66Å; E2224-L2228 HydrophobicContact CG-CD1 4.12Å; E2224-L2228 WeakPolarHBondContact O-CB 3.47Å; E2224-L2228 WeakPolarHBondContact O-CG 3.25Å; E2224-L2228 PolarHBondContact O-N 3.43Å
2225K70.3Confident55.9Low123 Ų12398.9 Ų98.954%0.53553%0.527SS..Hα-helixtrans-68-45.2176-172.9-178.9172.1-1660112.9N2221 D2222 V2223 I2227 L2228 D2229N2221-K2225 WeakPolarHBondContact O-CB 3.44Å; N2221-K2225 PolarHBondContact O-N 3.17Å; D2222-K2225 PolarHBondContact O-N 2.77Å; V2223-K2225 VanDerWaalsContact C-N 3.3Å; V2223-K2225 PolarHBondContact O-N 3.44Å; K2225-I2227 VanDerWaalsContact C-N 3.34Å; K2225-L2228 PolarHBondContact O-N 3.08Å; K2225-L2228 VanDerWaalsContact O-N 3.16Å; K2225-D2229 PolarHBondContact O-N 3.5Å
2226D68.3Low57.8Low71 Ų7195.9 Ų95.938%0.3852%0.517SS..Hα-helixtrans-64.4-38.2173.9176.757.8000111.7D2222 V2223 K2230D2222-D2226 WeakPolarHBondContact O-CB 3.44Å; D2222-D2226 PolarHBondContact O-N 3.43Å; V2223-D2226 PolarHBondContact O-N 2.81Å; D2226-K2230 VanDerWaalsContact O-CB 3.26Å; D2226-K2230 WeakPolarHBondContact O-CB 3.37Å; D2226-K2230 VanDerWaalsContact O-CG 3.32Å; D2226-K2230 WeakPolarHBondContact O-CG 3.21Å; D2226-K2230 PolarHBondContact O-N 3.15Å; D2226-K2230 WeakPolarHBondContact OD1-CD 3.44Å; D2226-K2230 WeakPolarHBondContact OD1-CE 3.49Å; D2226-K2230 IonicContact OD1-NZ 2.72Å; D2226-K2230 PolarHBondContact OD1-NZ 2.88Å; D2226-K2230 IonicContact OD2-NZ 3.41Å; D2226-K2230 PolarHBondContact OD2-NZ 3.12Å
2227I68.3Low59.7Low35 Ų3594 Ų9418%0.17950%0.504CS..Hα-helixtrans-60.9-43.6169.3-75.2169.3000111.2V2223 E2224 K2225 L2231 F2257 I2260V2223-I2227 HydrophobicContact CG1-CD1 3.87Å; V2223-I2227 HydrophobicContact CG1-CG1 4.46Å; V2223-I2227 VanDerWaalsContact O-CB 3.28Å; V2223-I2227 WeakPolarHBondContact O-CB 3.26Å; V2223-I2227 WeakPolarHBondContact O-CD1 3.32Å; V2223-I2227 WeakPolarHBondContact O-CG1 3.4Å; V2223-I2227 PolarHBondContact O-N 3.24Å; E2224-I2227 PolarHBondContact O-N 2.66Å; K2225-I2227 VanDerWaalsContact C-N 3.34Å; I2227-L2231 HydrophobicContact CG2-CD1 3.92Å; I2227-L2231 HydrophobicContact CG2-CG 4.35Å; I2227-L2231 WeakPolarHBondContact O-CB 3.47Å; I2227-L2231 VanDerWaalsContact O-CG 3.24Å; I2227-L2231 WeakPolarHBondContact O-CG 3.44Å; I2227-L2231 PolarHBondContact O-N 3.3Å; I2227-F2257 HydrophobicContact CD1-CE1 4.45Å; I2227-F2257 HydrophobicContact CG2-CE1 3.84Å; I2227-F2257 HydrophobicContact CG2-CZ 3.61Å; I2227-I2260 HydrophobicContact CD1-CD1 4.05Å; I2227-I2260 HydrophobicContact CD1-CG2 4.28Å; I2227-I2260 HydrophobicContact CG1-CD1 4.23Å
2228L71.9Confident61.6Low100 Ų10089.2 Ų89.252%0.52448%0.478SS..Hα-helixtrans-67.6-41.1179.2-78.3166.7000112.3E2224 K2225 L2231 S2232E2224-L2228 HydrophobicContact CG-CD1 4.12Å; E2224-L2228 WeakPolarHBondContact O-CB 3.47Å; E2224-L2228 WeakPolarHBondContact O-CG 3.25Å; E2224-L2228 PolarHBondContact O-N 3.43Å; K2225-L2228 PolarHBondContact O-N 3.08Å; K2225-L2228 VanDerWaalsContact O-N 3.16Å; L2228-L2231 PolarHBondContact O-N 3.46Å; L2228-S2232 VanDerWaalsContact O-CB 3.26Å; L2228-S2232 WeakPolarHBondContact O-CB 3.45Å; L2228-S2232 PolarHBondContact O-N 3.46Å
2229D72.9Confident63.6Low89 Ų8987 Ų8748%0.47647%0.466SS..Hα-helixtrans-70.4-38.6176-84.7-31.9000111.7K2225 S2232 Q2233K2225-D2229 PolarHBondContact O-N 3.5Å; D2229-S2232 WeakPolarHBondContact O-CB 3.4Å; D2229-S2232 PolarHBondContact O-N 3.42Å; D2229-Q2233 WeakPolarHBondContact O-CG 3.31Å; D2229-Q2233 PolarHBondContact O-N 3.25Å
2230K70.2Confident65.5Low110 Ų11088.8 Ų88.848%0.47847%0.47SS..Hα-helixtrans-66-42.4171.7-75.1166.7177.41590111.8D2226 S2232 Q2233 I2234D2226-K2230 VanDerWaalsContact O-CB 3.26Å; D2226-K2230 WeakPolarHBondContact O-CB 3.37Å; D2226-K2230 VanDerWaalsContact O-CG 3.32Å; D2226-K2230 WeakPolarHBondContact O-CG 3.21Å; D2226-K2230 PolarHBondContact O-N 3.15Å; D2226-K2230 WeakPolarHBondContact OD1-CD 3.44Å; D2226-K2230 WeakPolarHBondContact OD1-CE 3.49Å; D2226-K2230 IonicContact OD1-NZ 2.72Å; D2226-K2230 PolarHBondContact OD1-NZ 2.88Å; D2226-K2230 IonicContact OD2-NZ 3.41Å; D2226-K2230 PolarHBondContact OD2-NZ 3.12Å; K2230-S2232 VanDerWaalsContact C-N 3.26Å; K2230-S2232 PolarHBondContact O-N 2.82Å; K2230-Q2233 PolarHBondContact O-N 2.76Å; K2230-I2234 WeakPolarHBondContact O-CB 3.46Å; K2230-I2234 WeakPolarHBondContact O-CD1 3.18Å; K2230-I2234 VanDerWaalsContact O-CG1 3.22Å; K2230-I2234 WeakPolarHBondContact O-CG1 3.42Å; K2230-I2234 PolarHBondContact O-N 2.91Å
2231L71.6Confident67Low75 Ų7582.2 Ų82.239%0.39344%0.44SS..Hα-helixtrans-60.1-35.7170.1-80.9174.9000112I2227 L2228 A2235 F2257I2227-L2231 HydrophobicContact CG2-CD1 3.92Å; I2227-L2231 HydrophobicContact CG2-CG 4.35Å; I2227-L2231 WeakPolarHBondContact O-CB 3.47Å; I2227-L2231 VanDerWaalsContact O-CG 3.24Å; I2227-L2231 WeakPolarHBondContact O-CG 3.44Å; I2227-L2231 PolarHBondContact O-N 3.3Å; L2228-L2231 PolarHBondContact O-N 3.46Å; L2231-A2235 WeakPolarHBondContact O-CB 3.47Å; L2231-A2235 PolarHBondContact O-N 3.24Å; L2231-F2257 HydrophobicContact CD1-CZ 4.04Å; L2231-F2257 HydrophobicContact CD2-CE2 3.83Å; L2231-F2257 HydrophobicContact CD2-CZ 4.08Å; L2231-F2257 HydrophobicContact CG-CE2 4.22Å; L2231-F2257 HydrophobicContact CG-CZ 4.07Å
2232S75.7Confident68.5Low60 Ų6084.8 Ų84.842%0.4244%0.441SS..Hα-helixtrans-68.8-43.6176.5-171.40000111.9L2228 D2229 K2230 A2235 T2236L2228-S2232 VanDerWaalsContact O-CB 3.26Å; L2228-S2232 WeakPolarHBondContact O-CB 3.45Å; L2228-S2232 PolarHBondContact O-N 3.46Å; D2229-S2232 WeakPolarHBondContact O-CB 3.4Å; D2229-S2232 PolarHBondContact O-N 3.42Å; K2230-S2232 VanDerWaalsContact C-N 3.26Å; K2230-S2232 PolarHBondContact O-N 2.82Å; S2232-A2235 PolarHBondContact O-N 3.45Å; S2232-T2236 WeakPolarHBondContact O-CB 3.36Å; S2232-T2236 WeakPolarHBondContact O-CG2 3.29Å; S2232-T2236 PolarHBondContact O-N 3.39Å; S2232-T2236 PolarHBondContact O-OG1 3.35Å
2233Q72.2Confident69.4Low136 Ų13680.8 Ų80.864%0.63642%0.422SS*.Hα-helixtrans-64.1-39.2172.8-69.2-17623.800112.1D2229 K2230 T2236 S2237D2229-Q2233 WeakPolarHBondContact O-CG 3.31Å; D2229-Q2233 PolarHBondContact O-N 3.25Å; K2230-Q2233 PolarHBondContact O-N 2.76Å; Q2233-T2236 WeakPolarHBondContact CA-OG1 3.41Å; Q2233-T2236 PolarHBondContact O-OG1 3.49Å; Q2233-S2237 VanDerWaalsContact O-CB 3.31Å; Q2233-S2237 WeakPolarHBondContact O-CB 3.41Å; Q2233-S2237 PolarHBondContact O-N 3.03Å; Q2233-S2237 PolarHBondContact O-OG 3.49Å
2234I71.3Confident70.1Confident36 Ų3681.1 Ų81.119%0.18542%0.418CS..Hα-helixtrans-66.6-42.9173.3-68161.5000110.5K2230 T2236 S2237 L2238 A2253K2230-I2234 WeakPolarHBondContact O-CB 3.46Å; K2230-I2234 WeakPolarHBondContact O-CD1 3.18Å; K2230-I2234 VanDerWaalsContact O-CG1 3.22Å; K2230-I2234 WeakPolarHBondContact O-CG1 3.42Å; K2230-I2234 PolarHBondContact O-N 2.91Å; I2234-T2236 PolarHBondContact O-N 2.96Å; I2234-S2237 WeakPolarHBondContact CA-OG 3.08Å; I2234-S2237 PolarHBondContact O-N 2.96Å; I2234-S2237 PolarHBondContact O-OG 3.43Å; I2234-L2238 HydrophobicContact CG2-CD1 3.88Å; I2234-L2238 HydrophobicContact CG2-CG 4.19Å; I2234-L2238 VanDerWaalsContact O-CB 3.22Å; I2234-L2238 WeakPolarHBondContact O-CB 3.26Å; I2234-L2238 WeakPolarHBondContact O-CD1 3.36Å; I2234-L2238 WeakPolarHBondContact O-CG 3.47Å; I2234-L2238 PolarHBondContact O-N 2.78Å; I2234-A2253 HydrophobicContact CD1-CB 3.9Å
2235A72.6Confident70.4Confident35 Ų3579.8 Ų79.829%0.28941%0.412SS..Hα-helixtrans-66.3-33178.900000113.6L1685 L2231 S2232 P2239L1685-A2235 HydrophobicContact CD1-CB 4.17Å; L2231-A2235 WeakPolarHBondContact O-CB 3.47Å; L2231-A2235 PolarHBondContact O-N 3.24Å; S2232-A2235 PolarHBondContact O-N 3.45Å; A2235-P2239 WeakPolarHBondContact O-CD 3.29Å
2236T73.5Confident70.5Confident92 Ų9277.8 Ų77.856%0.56440%0.401SS*.Hα-helixtrans-83.4-26.4177.748.70000113.5S2232 Q2233 I2234 P2239S2232-T2236 WeakPolarHBondContact O-CB 3.36Å; S2232-T2236 WeakPolarHBondContact O-CG2 3.29Å; S2232-T2236 PolarHBondContact O-N 3.39Å; S2232-T2236 PolarHBondContact O-OG1 3.35Å; Q2233-T2236 WeakPolarHBondContact CA-OG1 3.41Å; Q2233-T2236 PolarHBondContact O-OG1 3.49Å; I2234-T2236 PolarHBondContact O-N 2.96Å; T2236-P2239 WeakPolarHBondContact O-CD 3.31Å
2237S67.8Low70.5Confident40 Ų4083.5 Ų83.528%0.2842%0.417SS..Hα-helixtrans-86.7-32.3174.958.90000114Q2233 I2234 P2239 I2240 L2241Q2233-S2237 VanDerWaalsContact O-CB 3.31Å; Q2233-S2237 WeakPolarHBondContact O-CB 3.41Å; Q2233-S2237 PolarHBondContact O-N 3.03Å; Q2233-S2237 PolarHBondContact O-OG 3.49Å; I2234-S2237 WeakPolarHBondContact CA-OG 3.08Å; I2234-S2237 PolarHBondContact O-N 2.96Å; I2234-S2237 PolarHBondContact O-OG 3.43Å; S2237-P2239 VanDerWaalsContact C-N 3.29Å; S2237-P2239 VanDerWaalsContact O-N 3.11Å; S2237-I2240 PolarHBondContact O-N 2.91Å; S2237-L2241 WeakPolarHBondContact O-CG 3.49Å; S2237-L2241 PolarHBondContact O-N 3.1Å
2238L69.1Low70.6Confident42 Ų4284.9 Ų84.922%0.2243%0.43CS..THydrogen-bonded Turntrans-46.2-36.7176.5-93.6168.6000115.8I2234 R2246 L2250I2234-L2238 HydrophobicContact CG2-CD1 3.88Å; I2234-L2238 HydrophobicContact CG2-CG 4.19Å; I2234-L2238 VanDerWaalsContact O-CB 3.22Å; I2234-L2238 WeakPolarHBondContact O-CB 3.26Å; I2234-L2238 WeakPolarHBondContact O-CD1 3.36Å; I2234-L2238 WeakPolarHBondContact O-CG 3.47Å; I2234-L2238 PolarHBondContact O-N 2.78Å; L2238-R2246 HydrophobicContact CD2-CB 4.29Å; L2238-R2246 HydrophobicContact CD2-CG 4.14Å; L2238-R2246 PolarHBondContact O-NE 2.76Å; L2238-R2246 VanDerWaalsContact O-NE 3.13Å; L2238-R2246 PolarHBondContact O-NH1 3.25Å; L2238-R2246 PolarHBondContact O-NH2 3.3Å; L2238-L2250 HydrophobicContact CD2-CG 4.35Å
2239P70.6Confident70.4Confident68 Ų6882 Ų8244%0.44242%0.415SS..THydrogen-bonded Turntrans-68.5-31.9175.7-22.234.7000114.4A2235 T2236 S2237 R2246A2235-P2239 WeakPolarHBondContact O-CD 3.29Å; T2236-P2239 WeakPolarHBondContact O-CD 3.31Å; S2237-P2239 VanDerWaalsContact C-N 3.29Å; S2237-P2239 VanDerWaalsContact O-N 3.11Å; P2239-R2246 PolarHBondContact O-NH2 2.62Å
2240I71.3Confident70.2Confident145 Ų14581.8 Ų81.874%0.74441%0.413SS*.THydrogen-bonded Turntrans-82.3-31.3-170.4-55.5174.8000111.3S2237S2237-I2240 PolarHBondContact O-N 2.91Å
2241L66.6Low70.2Confident29 Ų2982 Ų8215%0.15242%0.419CS..SBendtrans-72.4146.7-175.1-66161.1000112.7S2237 Q2245 R2246 I2249S2237-L2241 WeakPolarHBondContact O-CG 3.49Å; S2237-L2241 PolarHBondContact O-N 3.1Å; L2241-Q2245 HydrophobicContact CB-CB 4.18Å; L2241-Q2245 HydrophobicContact CD2-CB 4.12Å; L2241-R2246 HydrophobicContact CB-CG 3.87Å; L2241-R2246 VanDerWaalsContact O-CZ 3.29Å; L2241-R2246 PolarHBondContact O-NE 3.44Å; L2241-R2246 PolarHBondContact O-NH2 3.19Å; L2241-I2249 HydrophobicContact CD1-CB 4.33Å; L2241-I2249 HydrophobicContact CD1-CD1 3.46Å; L2241-I2249 VanDerWaalsContact CD1-CD1 3.46Å; L2241-I2249 HydrophobicContact CD1-CG1 4.47Å; L2241-I2249 HydrophobicContact CD1-CG2 4.17Å; L2241-I2249 HydrophobicContact CD2-CD1 3.66Å; L2241-I2249 HydrophobicContact CG-CD1 4.18Å
2242R68.3Low69.7Low167 Ų16783.8 Ų83.863%0.6343%0.425SS*.  trans-66.3150.3170.1-62-179.9-168.8172.76.7110.5E2244 Q2245 R2246R2242-E2244 PolarHBondContact O-N 3.49Å; R2242-E2244 VanDerWaalsContact O-N 3.12Å; R2242-Q2245 HydrophobicContact CB-CG 4.28Å; R2242-Q2245 CarbonylContact O-C 3.22Å; R2242-Q2245 WeakPolarHBondContact O-CA 3.39Å; R2242-Q2245 WeakPolarHBondContact O-CB 3.38Å; R2242-Q2245 PolarHBondContact O-N 2.87Å; R2242-R2246 WeakPolarHBondContact O-CG 3.38Å; R2242-R2246 PolarHBondContact O-N 3.02Å
2243P68.1Low69Low47 Ų4781.4 Ų81.431%0.30541%0.409SS..Hα-helixtrans-58-24.8178.8-31.140.6000115.9Y2113Y2113-P2243 HydrophobicContact CD1-CB 3.93Å; Y2113-P2243 HydrophobicContact CD1-CG 3.74Å; Y2113-P2243 HydrophobicContact CD2-CB 3.62Å; Y2113-P2243 HydrophobicContact CD2-CG 4.13Å; Y2113-P2243 HydrophobicContact CE1-CB 4.31Å; Y2113-P2243 HydrophobicContact CE1-CG 4.48Å; Y2113-P2243 HydrophobicContact CE2-CB 4.03Å; Y2113-P2243 HydrophobicContact CG-CB 3.56Å; Y2113-P2243 HydrophobicContact CG-CG 3.53Å
2244E68.4Low68.7Low92 Ų9280.3 Ų80.343%0.4341%0.407SS..Hα-helixtrans-62.4-51.5166.1-60.297.2-122.900111.5R2242 R2246 R2247 S2248R2242-E2244 PolarHBondContact O-N 3.49Å; R2242-E2244 VanDerWaalsContact O-N 3.12Å; E2244-R2246 PolarHBondContact O-N 3.49Å; E2244-R2247 WeakPolarHBondContact O-CB 3.46Å; E2244-R2247 PolarHBondContact O-N 3.45Å; E2244-R2247 VanDerWaalsContact O-N 3.08Å; E2244-S2248 PolarHBondContact O-N 3.28Å
2245Q70Confident68.4Low84 Ų8481.8 Ų81.839%0.39342%0.421SS..Hα-helixtrans-68.1-30.7-179.5-59.4171.9-66.700113L2241 R2242 R2247 S2248 I2249L2241-Q2245 HydrophobicContact CB-CB 4.18Å; L2241-Q2245 HydrophobicContact CD2-CB 4.12Å; R2242-Q2245 HydrophobicContact CB-CG 4.28Å; R2242-Q2245 CarbonylContact O-C 3.22Å; R2242-Q2245 WeakPolarHBondContact O-CA 3.39Å; R2242-Q2245 WeakPolarHBondContact O-CB 3.38Å; R2242-Q2245 PolarHBondContact O-N 2.87Å; Q2245-R2247 PolarHBondContact O-N 3.43Å; Q2245-S2248 PolarHBondContact O-N 2.8Å; Q2245-S2248 PolarHBondContact O-OG 2.85Å; Q2245-I2249 WeakPolarHBondContact O-CB 3.28Å; Q2245-I2249 PolarHBondContact O-N 3.36Å
2246R70.9Confident67.6Low80 Ų8084 Ų8430%0.30243%0.43SS..Hα-helixtrans-62-26.3171.9-66.3179-157.8-148.2-8.3111.8L2238 P2239 L2241 R2242 E2244 L2250L2238-R2246 HydrophobicContact CD2-CB 4.29Å; L2238-R2246 HydrophobicContact CD2-CG 4.14Å; L2238-R2246 PolarHBondContact O-NE 2.76Å; L2238-R2246 VanDerWaalsContact O-NE 3.13Å; L2238-R2246 PolarHBondContact O-NH1 3.25Å; L2238-R2246 PolarHBondContact O-NH2 3.3Å; P2239-R2246 PolarHBondContact O-NH2 2.62Å; L2241-R2246 HydrophobicContact CB-CG 3.87Å; L2241-R2246 VanDerWaalsContact O-CZ 3.29Å; L2241-R2246 PolarHBondContact O-NE 3.44Å; L2241-R2246 PolarHBondContact O-NH2 3.19Å; R2242-R2246 WeakPolarHBondContact O-CG 3.38Å; R2242-R2246 PolarHBondContact O-N 3.02Å; E2244-R2246 PolarHBondContact O-N 3.49Å; R2246-L2250 WeakPolarHBondContact O-CB 3.28Å; R2246-L2250 WeakPolarHBondContact O-CD1 3.37Å; R2246-L2250 VanDerWaalsContact O-CG 3.26Å; R2246-L2250 WeakPolarHBondContact O-CG 3.49Å; R2246-L2250 PolarHBondContact O-N 3.11Å
2247R69.5Low66.8Low191 Ų19183.6 Ų83.672%0.72142%0.421SS*.Hα-helixtrans-81.9-38.7-178.9-153.6176.5-167177.51.9111.9E2244 Q2245 L2251E2244-R2247 WeakPolarHBondContact O-CB 3.46Å; E2244-R2247 PolarHBondContact O-N 3.45Å; E2244-R2247 VanDerWaalsContact O-N 3.08Å; Q2245-R2247 PolarHBondContact O-N 3.43Å; R2247-L2251 WeakPolarHBondContact O-CB 3.04Å; R2247-L2251 WeakPolarHBondContact O-CD1 3.43Å; R2247-L2251 VanDerWaalsContact O-CG 3.3Å; R2247-L2251 WeakPolarHBondContact O-CG 3.48Å; R2247-L2251 PolarHBondContact O-N 3.32Å; R2247-L2251 VanDerWaalsContact O-N 3.15Å
2248S69.5Low66.3Low64 Ų6490 Ų9045%0.44844%0.444SS..Hα-helixtrans-64.8-48.716957.60000110.6E2244 Q2245 L2250 L2251 E2252E2244-S2248 PolarHBondContact O-N 3.28Å; Q2245-S2248 PolarHBondContact O-N 2.8Å; Q2245-S2248 PolarHBondContact O-OG 2.85Å; S2248-L2250 VanDerWaalsContact C-N 3.33Å; S2248-L2250 PolarHBondContact O-N 3.45Å; S2248-L2251 CarbonylContact O-C 3.59Å; S2248-L2251 WeakPolarHBondContact O-CA 3.45Å; S2248-L2251 WeakPolarHBondContact O-CB 3.44Å; S2248-L2251 PolarHBondContact O-N 3.26Å; S2248-E2252 WeakPolarHBondContact O-CB 3.44Å; S2248-E2252 PolarHBondContact O-N 3.5Å
2249I68.4Low65.3Low40 Ų4092.7 Ų92.721%0.20547%0.467CS..Hα-helixtrans-70.8-25.1-176.7-71.8163.1000112.9L2241 Q2245 A2253L2241-I2249 HydrophobicContact CD1-CB 4.33Å; L2241-I2249 HydrophobicContact CD1-CD1 3.46Å; L2241-I2249 VanDerWaalsContact CD1-CD1 3.46Å; L2241-I2249 HydrophobicContact CD1-CG1 4.47Å; L2241-I2249 HydrophobicContact CD1-CG2 4.17Å; L2241-I2249 HydrophobicContact CD2-CD1 3.66Å; L2241-I2249 HydrophobicContact CG-CD1 4.18Å; Q2245-I2249 WeakPolarHBondContact O-CB 3.28Å; Q2245-I2249 PolarHBondContact O-N 3.36Å; I2249-A2253 WeakPolarHBondContact O-CB 3.18Å; I2249-A2253 PolarHBondContact O-N 3.43Å
2250L67.5Low64.2Low84 Ų8493.6 Ų93.644%0.4447%0.467SS..Hα-helixtrans-74.1-29.9166.3-81.9167.2000113.2L2238 R2246 S2248 L2254L2238-L2250 HydrophobicContact CD2-CG 4.35Å; R2246-L2250 WeakPolarHBondContact O-CB 3.28Å; R2246-L2250 WeakPolarHBondContact O-CD1 3.37Å; R2246-L2250 VanDerWaalsContact O-CG 3.26Å; R2246-L2250 WeakPolarHBondContact O-CG 3.49Å; R2246-L2250 PolarHBondContact O-N 3.11Å; S2248-L2250 VanDerWaalsContact C-N 3.33Å; S2248-L2250 PolarHBondContact O-N 3.45Å; L2250-L2254 VanDerWaalsContact O-CB 3.3Å; L2250-L2254 WeakPolarHBondContact O-CB 3.29Å; L2250-L2254 WeakPolarHBondContact O-CD1 3.17Å; L2250-L2254 WeakPolarHBondContact O-CG 3.18Å; L2250-L2254 PolarHBondContact O-N 3.31Å
2251L70.8Confident62.5Low114 Ų11494.2 Ų94.260%0.59747%0.468SS*.Hα-helixtrans-75.7-34.9173.5-74.6165.8000111.6R2247 S2248 L2254 S2255R2247-L2251 WeakPolarHBondContact O-CB 3.04Å; R2247-L2251 WeakPolarHBondContact O-CD1 3.43Å; R2247-L2251 VanDerWaalsContact O-CG 3.3Å; R2247-L2251 WeakPolarHBondContact O-CG 3.48Å; R2247-L2251 PolarHBondContact O-N 3.32Å; R2247-L2251 VanDerWaalsContact O-N 3.15Å; S2248-L2251 CarbonylContact O-C 3.59Å; S2248-L2251 WeakPolarHBondContact O-CA 3.45Å; S2248-L2251 WeakPolarHBondContact O-CB 3.44Å; S2248-L2251 PolarHBondContact O-N 3.26Å; L2251-L2254 CarbonylContact O-C 3.3Å; L2251-L2254 PolarHBondContact O-N 3Å; L2251-S2255 WeakPolarHBondContact O-CB 3.47Å; L2251-S2255 PolarHBondContact O-N 3.37Å; L2251-S2255 PolarHBondContact O-OG 2.83Å
2252E60.7Low61.1Low113 Ų113102.5 Ų102.553%0.52852%0.524SS..Hα-helixtrans-70.1-36.9173.7-168177.3-179.100111.9S2248 S2255 T2256S2248-E2252 WeakPolarHBondContact O-CB 3.44Å; S2248-E2252 PolarHBondContact O-N 3.5Å; E2252-S2255 WeakPolarHBondContact CA-OG 3.23Å; E2252-S2255 PolarHBondContact O-OG 2.78Å; E2252-T2256 PolarHBondContact O-N 3.27Å; E2252-T2256 PolarHBondContact O-OG1 3.23Å
2253A62.3Low60.8Low10 Ų1099.3 Ų99.38%0.08352%0.518CS..Hα-helixtrans-64.5-44.6166.300000111.4I2234 I2249 S2255 T2256 F2257I2234-A2253 HydrophobicContact CD1-CB 3.9Å; I2249-A2253 WeakPolarHBondContact O-CB 3.18Å; I2249-A2253 PolarHBondContact O-N 3.43Å; A2253-S2255 VanDerWaalsContact C-N 3.32Å; A2253-S2255 PolarHBondContact O-N 2.91Å; A2253-T2256 WeakPolarHBondContact CA-OG1 3.43Å; A2253-T2256 PolarHBondContact O-N 3.31Å; A2253-T2256 PolarHBondContact O-OG1 2.87Å; A2253-T2256 VanDerWaalsContact O-OG1 3.06Å; A2253-F2257 WeakPolarHBondContact O-CD2 3.37Å; A2253-F2257 PolarHBondContact O-N 3.08Å
2254L65.8Low60.4Low114 Ų114102 Ų10260%0.59753%0.53SS*.Hα-helixtrans-70.7-24.2178.7-74.4167.9000113.4L2250 L2251 K2258L2250-L2254 VanDerWaalsContact O-CB 3.3Å; L2250-L2254 WeakPolarHBondContact O-CB 3.29Å; L2250-L2254 WeakPolarHBondContact O-CD1 3.17Å; L2250-L2254 WeakPolarHBondContact O-CG 3.18Å; L2250-L2254 PolarHBondContact O-N 3.31Å; L2251-L2254 CarbonylContact O-C 3.3Å; L2251-L2254 PolarHBondContact O-N 3Å; L2254-K2258 PolarHBondContact O-N 3.42Å
2255S63.5Low59.9Low67 Ų67102.6 Ų102.647%0.46954%0.535SS..Hα-helixtrans-78.6-38.3171.365.30000111.9L2251 E2252 A2253 F2257 K2258L2251-S2255 WeakPolarHBondContact O-CB 3.47Å; L2251-S2255 PolarHBondContact O-N 3.37Å; L2251-S2255 PolarHBondContact O-OG 2.83Å; E2252-S2255 WeakPolarHBondContact CA-OG 3.23Å; E2252-S2255 PolarHBondContact O-OG 2.78Å; A2253-S2255 VanDerWaalsContact C-N 3.32Å; A2253-S2255 PolarHBondContact O-N 2.91Å; S2255-F2257 VanDerWaalsContact C-N 3.28Å; S2255-F2257 PolarHBondContact O-N 3.45Å; S2255-K2258 WeakPolarHBondContact O-CA 3.43Å; S2255-K2258 WeakPolarHBondContact O-CB 3.26Å; S2255-K2258 PolarHBondContact O-N 3.24Å
2256T56.9Low59.3Low80 Ų80103.6 Ų103.649%0.49154%0.544SS..Hα-helixtrans-68.8-21.9173.343.20000113.8E2252 A2253 S2259E2252-T2256 PolarHBondContact O-N 3.27Å; E2252-T2256 PolarHBondContact O-OG1 3.23Å; A2253-T2256 WeakPolarHBondContact CA-OG1 3.43Å; A2253-T2256 PolarHBondContact O-N 3.31Å; A2253-T2256 PolarHBondContact O-OG1 2.87Å; A2253-T2256 VanDerWaalsContact O-OG1 3.06Å; T2256-S2259 PolarHBondContact O-OG 3Å
2257F57.2Low58.6Low84 Ų84105.1 Ų105.137%0.36856%0.559SS.*THydrogen-bonded Turntrans-77.9-18.3164.1-90.8-77.3000114.1I2227 L2231 A2253 S2255 S2259 I2260I2227-F2257 HydrophobicContact CD1-CE1 4.45Å; I2227-F2257 HydrophobicContact CG2-CE1 3.84Å; I2227-F2257 HydrophobicContact CG2-CZ 3.61Å; L2231-F2257 HydrophobicContact CD1-CZ 4.04Å; L2231-F2257 HydrophobicContact CD2-CE2 3.83Å; L2231-F2257 HydrophobicContact CD2-CZ 4.08Å; L2231-F2257 HydrophobicContact CG-CE2 4.22Å; L2231-F2257 HydrophobicContact CG-CZ 4.07Å; A2253-F2257 WeakPolarHBondContact O-CD2 3.37Å; A2253-F2257 PolarHBondContact O-N 3.08Å; S2255-F2257 VanDerWaalsContact C-N 3.28Å; S2255-F2257 PolarHBondContact O-N 3.45Å; F2257-S2259 VanDerWaalsContact C-N 3.34Å; F2257-I2260 PolarHBondContact O-N 2.86Å
2258K56.1Low57.9Low174 Ų17499.4 Ų99.476%0.75755%0.548SS*.THydrogen-bonded Turntrans-78.8-17.2-173.6-156.8-173.8174.8-160.70113.3L2254 S2255L2254-K2258 PolarHBondContact O-N 3.42Å; S2255-K2258 WeakPolarHBondContact O-CA 3.43Å; S2255-K2258 WeakPolarHBondContact O-CB 3.26Å; S2255-K2258 PolarHBondContact O-N 3.24Å
2259S48Very low57.1Low100 Ų100101.9 Ų101.970%0.69956%0.555SS**THydrogen-bonded Turntrans-92.74.6172.5520000113.9T2256 F2257T2256-S2259 PolarHBondContact O-OG 3Å; F2257-S2259 VanDerWaalsContact C-N 3.34Å
2260I48Very low56.2Low87 Ų87106.7 Ų106.745%0.44658%0.582SS.*SBendtrans-122.913.2179.8-39.9-179.7000111.1V2223 I2227 F2257V2223-I2260 HydrophobicContact CG1-CG2 4.25Å; I2227-I2260 HydrophobicContact CD1-CD1 4.05Å; I2227-I2260 HydrophobicContact CD1-CG2 4.28Å; I2227-I2260 HydrophobicContact CG1-CD1 4.23Å; F2257-I2260 PolarHBondContact O-N 2.86Å
2261M35.2Very low55.2Low157 Ų157108.6 Ų108.677%0.77359%0.594SS**  trans-106144.6155.1-83.5-170.2158.800108.5
2262P38.4Very low53.8Low203 Ų203108.1 Ų108.1100%1.31859%0.594SS**  trans-73.20-161.931-38.1000114.6

Retrieved 2,262 of 2,262 residues in 2710.2 ms (Link to these results)

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