A0A5K4FB54_SCHMA Loading...

ARID domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FB54, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,519 aa.

>A0A5K4FB54_SCHMA|A0A5K4FB54
MCDLLSQPQQQQQQRQQRTGQKLSTRQLNKNQHHLSIIDTNSNSSSSNNTTISNNTGTSAEMSSNLCTNSNRFNNSINNGSRSSKLNQQQQQQNTQRPDINSLVDDDNTTDSIGSNNSSIKHTSWSPSESSNNTNNNNSNSRGNSSLKDQNHISINGDLQQQQQQGICSSKNETLNPLSDMNSQCSIIEQRSKTSISFDSIQLTHSNHSNSNKNDHCSLTSSKSPPLSPSNSSSSSSSSNHSLSFRNNENSQWNNNHNIGKDVNTIDSFNAKSQIDMTAKSNSPIEDNSYHVKLSRYDHQQNRRQSNKSNISSYCISSDQEMNYDKECQKRQPLGKDLDVKEKKHDEDEEEEREGVEYKNDCIDGGNANGDVDDVDGVNNVDRNITNADNNDDDADDDDDDNDGDNDNSYLIDQQTNHHYSTSFPTLTSDSLSNCISPMLAAAAMAALTTGCFPTSCNQLSQLNYSLLSKSYGISQLSPPPTPLHPPPPPPLTLQPPVLPSSSSSSSAYTQRLHMTKQQQQLAFLNSTPNRNSKVNDTHHSHSHHHHQHNNGNSLSSLGCNSSPPIHSIHSNNDNYNTITNNKSNYASTSPPPQLSSRSNSPHQLLNNRLVSSNNLNYLSSMDDVDEENDEMDSDEVDEEIEGEEMDNSSTHGNNHQWTFEEQFKQLYVISDDPKRKEFLDELFVYMQRRGTPVNRIPIMAKQVLDLYELFQLVVARGGLVEVINKKLWREITKGLNLPSSITSAAFTLRTQYMKYLYPYECETLGLSSPNELQAAIDGNRREARRSSYTFDYPMMNPPNTSRSTSPVSTTSANPQTTTTTNTSTTMTASNTIPNSPSPLNVNPSLSNSIVYPNSLGFPNGTNPDVNQLLSNIPTGSTPFCTNNLGFNTQFGQFNPFLTMPTGSLPANGLGLQPSSTISSSSTASVSATVPSNQIGNSPVNLFPSHLLPSMVSAPNFSIIGSHFQGFNTSLNNSDDPFITSSSPSSSIQSGTILPGIPNNFTDPNAMAAAAAAAATLFGAGFPTLPGAFTATPPSLPLSLQTTISMNTPPLTTTTTTTLNNSYLVNNSSLINQSDGCLKFPILNNLRNQANHSNPNNLLIDTNESNTSSGLRSKNKLTLHDNDDCQFTSSLPLNLTANETGLINLDEKGTPYTDSDSRSSLMPLDHEKLNNKLQYYNNEENELITLHSDDRFIQKDGKDNLLNNFNETDRKVNNLRRHHHKDTIAADDDDDDDDDDNHINDGDDDNCSGIQHENIELRCKSNPSVEVNKRELIGTNNTISNNNNRIQQTNFKFENEDSNIKTAAQVACQQLWAAAAAAAAGLHCGGIKTPETNNYGVLTGNLNGPLKSQQVESSNNITTTTNNSNNNKQTQQLSCSKSSSYSSNKKTNSRTPSHLDTPNAKIPKLSSSNQMNSSSSGNNSNEIGGKQSNNGSNLSMKSSDLRKQNEAITMSANLHFNNNSTSTGLNNSLSAAQLSMATQNFRIQTQPGAPMGLPQNAIVVTMEMGNILYQGVLFGQLKR
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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
1M45.1Very low54Low191 Ų191114.5 Ų114.594%0.94160%0.6SS**  0-51.70-101-162.2-93.600111.3D3 L4M1-D3 PolarHBondContact O-N 2.89Å; M1-D3 VanDerWaalsContact O-N 3.12Å; M1-L4 PolarHBondContact O-N 2.82Å; M1-L4 VanDerWaalsContact O-N 3.1Å
2C45.9Very low55.3Low105 Ų105111.5 Ų111.571%0.70958%0.581SS**Hα-helixtrans-49.8-37.7-179.1-57.40000114.4L4 L5 S6C2-L4 VanDerWaalsContact C-N 3.27Å; C2-L4 PolarHBondContact O-N 2.81Å; C2-L5 PolarHBondContact O-N 3.11Å; C2-S6 PolarHBondContact O-N 3.45Å
3D47.4Very low56.3Low105 Ų105112.5 Ų112.556%0.56158%0.581SS**Hα-helixtrans-61.5-33.2-177.7-40.9-81.7000112.9M1 L5 S6M1-D3 PolarHBondContact O-N 2.89Å; M1-D3 VanDerWaalsContact O-N 3.12Å; D3-L5 VanDerWaalsContact C-N 3.3Å; D3-L5 PolarHBondContact O-N 2.81Å; D3-S6 PolarHBondContact O-N 3.38Å
4L50.3Low57.5Low130 Ų130113.6 Ų113.668%0.68158%0.582SS**Hα-helixtrans-72.9-21.7177.6-68.3170.5000112.7M1 C2M1-L4 PolarHBondContact O-N 2.82Å; M1-L4 VanDerWaalsContact O-N 3.1Å; C2-L4 VanDerWaalsContact C-N 3.27Å; C2-L4 PolarHBondContact O-N 2.81Å
5L52.6Low58.2Low126 Ų126118 Ų11866%0.6659%0.588SS**Hα-helixtrans-85.3-20.1170.7-7392000112.7C2 D3 P8C2-L5 PolarHBondContact O-N 3.11Å; D3-L5 VanDerWaalsContact C-N 3.3Å; D3-L5 PolarHBondContact O-N 2.81Å; L5-P8 WeakPolarHBondContact O-CD 3.46Å; L5-P8 WeakPolarHBondContact O-CG 3.46Å
6S48.4Very low58.9Low51 Ų51117.5 Ų117.536%0.35758%0.584SS.*Hα-helixtrans-79.3-34.7-176.8-163.80000113.5C2 D3 Q9 Q10C2-S6 PolarHBondContact O-N 3.45Å; D3-S6 PolarHBondContact O-N 3.38Å; S6-Q9 PolarHBondContact O-N 3.06Å; S6-Q9 VanDerWaalsContact O-N 3.12Å; S6-Q10 PolarHBondContact O-N 3.32Å; S6-Q10 VanDerWaalsContact O-N 3.17Å
7Q54.6Low59.4Low136 Ų136118.1 Ų118.164%0.63659%0.585SS**Hα-helixtrans-53.2-48.2179.1-66.5-170.512.900114.9Q9 Q10 Q11Q7-Q9 VanDerWaalsContact C-N 3.31Å; Q7-Q9 PolarHBondContact O-N 2.64Å; Q7-Q10 PolarHBondContact O-N 3.03Å; Q7-Q11 PolarHBondContact O-N 2.75Å; Q7-Q11 VanDerWaalsContact O-N 3.16Å
8P57Low59.7Low64 Ų64122.6 Ų122.642%0.41659%0.594SS.*Hα-helixtrans-63.1-34.2177.422.9-33.2000113L5 Q11 Q12L5-P8 WeakPolarHBondContact O-CD 3.46Å; L5-P8 WeakPolarHBondContact O-CG 3.46Å; P8-Q11 PolarHBondContact O-N 2.99Å; P8-Q12 VanDerWaalsContact O-CB 3.32Å; P8-Q12 WeakPolarHBondContact O-CB 3.5Å; P8-Q12 PolarHBondContact O-N 3.14Å
9Q55.6Low60Low132 Ų132120.3 Ų120.362%0.61759%0.588SS**Hα-helixtrans-67.5-45.4178-75.4-166.4-15.300112.6S6 Q7 Q11 Q12 Q13S6-Q9 PolarHBondContact O-N 3.06Å; S6-Q9 VanDerWaalsContact O-N 3.12Å; Q7-Q9 VanDerWaalsContact C-N 3.31Å; Q7-Q9 PolarHBondContact O-N 2.64Å; Q9-Q11 VanDerWaalsContact C-N 3.3Å; Q9-Q11 PolarHBondContact O-N 3.09Å; Q9-Q12 PolarHBondContact O-N 3.32Å; Q9-Q13 PolarHBondContact O-N 3.27Å
10Q65.8Low60.1Low129 Ų129116.4 Ų116.460%0.60358%0.58SS**Hα-helixtrans-60.9-41.2175.5-74.6-168.7-5.100111.7S6 Q7 Q12 Q13 Q14S6-Q10 PolarHBondContact O-N 3.32Å; S6-Q10 VanDerWaalsContact O-N 3.17Å; Q7-Q10 PolarHBondContact O-N 3.03Å; Q10-Q12 VanDerWaalsContact C-N 3.34Å; Q10-Q12 PolarHBondContact O-N 2.84Å; Q10-Q13 PolarHBondContact O-N 2.96Å; Q10-Q14 PolarHBondContact O-N 2.8Å
11Q70.8Confident59.9Low91 Ų91117.5 Ų117.543%0.42558%0.583SS.*Hα-helixtrans-71.5-28.6179.2-160.8166.188.600112.7Q7 P8 Q9 R15Q7-Q11 PolarHBondContact O-N 2.75Å; Q7-Q11 VanDerWaalsContact O-N 3.16Å; P8-Q11 PolarHBondContact O-N 2.99Å; Q9-Q11 VanDerWaalsContact C-N 3.3Å; Q9-Q11 PolarHBondContact O-N 3.09Å; Q11-R15 WeakPolarHBondContact O-CB 3.38Å; Q11-R15 PolarHBondContact O-N 3.22Å
12Q70.5Confident60.5Low78 Ų78115.9 Ų115.936%0.36457%0.571SS.*Hα-helixtrans-71.5-39.6170.8-164.2178.81.400111.5P8 Q9 Q10 R15 Q16 T449P8-Q12 VanDerWaalsContact O-CB 3.32Å; P8-Q12 WeakPolarHBondContact O-CB 3.5Å; P8-Q12 PolarHBondContact O-N 3.14Å; Q9-Q12 PolarHBondContact O-N 3.32Å; Q10-Q12 VanDerWaalsContact C-N 3.34Å; Q10-Q12 PolarHBondContact O-N 2.84Å; Q12-R15 PolarHBondContact O-N 3.04Å; Q12-Q16 WeakPolarHBondContact O-CG 3.28Å; Q12-Q16 PolarHBondContact O-N 3.1Å; Q12-T449 PolarHBondContact NE2-O 3.16Å
13Q68.2Low60.9Low124 Ų124116.6 Ų116.658%0.57957%0.567SS**Hα-helixtrans-63.5-45.4172.3-79.2-169.4-5.400112.4Q9 Q10 R15 Q16 Q17Q9-Q13 PolarHBondContact O-N 3.27Å; Q10-Q13 PolarHBondContact O-N 2.96Å; Q13-R15 VanDerWaalsContact C-N 3.28Å; Q13-R15 PolarHBondContact O-N 3.28Å; Q13-Q16 PolarHBondContact O-N 3.1Å; Q13-Q16 VanDerWaalsContact O-N 3.13Å; Q13-Q17 WeakPolarHBondContact O-CG 3.32Å; Q13-Q17 PolarHBondContact O-N 3.41Å
14Q72Confident61.2Low128 Ų128114.6 Ų114.660%0.59856%0.562SS**Hα-helixtrans-61.4-36.2174.4-75.6-172.5-5.700112.2Q10 R18Q10-Q14 PolarHBondContact O-N 2.8Å; Q14-R18 WeakPolarHBondContact O-CB 3.23Å; Q14-R18 PolarHBondContact O-N 3.31Å
15R68.2Low61.5Low180 Ų180112.2 Ų112.268%0.67955%0.553SS**Hα-helixtrans-63.3-46.2170.8-97.5-174162.7-167.2-5.9112Q11 Q12 Q13 Q17 R18 T19Q11-R15 WeakPolarHBondContact O-CB 3.38Å; Q11-R15 PolarHBondContact O-N 3.22Å; Q12-R15 PolarHBondContact O-N 3.04Å; Q13-R15 VanDerWaalsContact C-N 3.28Å; Q13-R15 PolarHBondContact O-N 3.28Å; R15-Q17 PolarHBondContact O-N 2.7Å; R15-R18 PolarHBondContact O-N 3.21Å; R15-T19 PolarHBondContact O-N 3.44Å; R15-T19 PolarHBondContact O-OG1 3.16Å
16Q69.3Low61.4Low110 Ų110116.1 Ų116.151%0.51456%0.559SS.*Hα-helixtrans-64.4-35.9178.2-72.8-17719.500113Q12 Q13 T19 G20Q12-Q16 WeakPolarHBondContact O-CG 3.28Å; Q12-Q16 PolarHBondContact O-N 3.1Å; Q13-Q16 PolarHBondContact O-N 3.1Å; Q13-Q16 VanDerWaalsContact O-N 3.13Å; Q16-T19 WeakPolarHBondContact CA-OG1 3.37Å; Q16-T19 PolarHBondContact O-OG1 2.76Å; Q16-G20 PolarHBondContact O-N 3.11Å
17Q68.6Low61.5Low128 Ų128119.9 Ų119.960%0.59857%0.57SS**Hα-helixtrans-67.8-43.2173.5-70.1177.86.700111.6Q13 R15 G20 Q21Q13-Q17 WeakPolarHBondContact O-CG 3.32Å; Q13-Q17 PolarHBondContact O-N 3.41Å; R15-Q17 PolarHBondContact O-N 2.7Å; Q17-G20 PolarHBondContact O-N 2.57Å; Q17-Q21 WeakPolarHBondContact O-CG 2.97Å; Q17-Q21 PolarHBondContact O-N 2.9Å
18R63.7Low61.3Low199 Ų199118.3 Ų118.375%0.75157%0.566SS**Hα-helixtrans-67.3-36.1175.7-80.7-175.2164.7-167.3-4.9113.3Q14 R15 K22Q14-R18 WeakPolarHBondContact O-CB 3.23Å; Q14-R18 PolarHBondContact O-N 3.31Å; R15-R18 PolarHBondContact O-N 3.21Å; R18-K22 WeakPolarHBondContact O-CB 3.5Å; R18-K22 PolarHBondContact O-N 3.06Å
19T66.2Low60.8Low79 Ų79120.6 Ų120.649%0.48558%0.575SS.*Hα-helixtrans-73.6-38.7173.554.90000111.8R15 Q16 Q21 K22 L23R15-T19 PolarHBondContact O-N 3.44Å; R15-T19 PolarHBondContact O-OG1 3.16Å; Q16-T19 WeakPolarHBondContact CA-OG1 3.37Å; Q16-T19 PolarHBondContact O-OG1 2.76Å; T19-Q21 PolarHBondContact O-N 2.85Å; T19-K22 PolarHBondContact O-N 3.36Å; T19-L23 VanDerWaalsContact O-CD1 3.28Å; T19-L23 WeakPolarHBondContact O-CD1 3.45Å; T19-L23 PolarHBondContact O-N 3.49Å
20G61.8Low60.4Low41 Ų41123 Ų12342%0.42358%0.583SS.*Hα-helixtrans-57.7-46.2172.900000112.4Q16 Q17 L23 S24Q16-G20 PolarHBondContact O-N 3.11Å; Q17-G20 PolarHBondContact O-N 2.57Å; G20-L23 PolarHBondContact O-N 2.88Å; G20-S24 WeakPolarHBondContact O-CB 3.39Å; G20-S24 PolarHBondContact O-N 3.12Å
21Q56.4Low59.4Low140 Ų140122.8 Ų122.865%0.65459%0.586SS**Hα-helixtrans-65.4-41.4174.2-74.3-177.7-13.200112.6Q17 T19 S24 T25Q17-Q21 WeakPolarHBondContact O-CG 2.97Å; Q17-Q21 PolarHBondContact O-N 2.9Å; T19-Q21 PolarHBondContact O-N 2.85Å; Q21-S24 PolarHBondContact O-N 3.46Å; Q21-T25 PolarHBondContact O-N 2.59Å; Q21-T25 PolarHBondContact O-OG1 3.19Å
22K57.3Low58.3Low158 Ų158125.7 Ų125.769%0.68760%0.6SS**Hα-helixtrans-68.1-30.6176.4-79.3-164.2172.6-165.40114.2R18 T19 T25 R26R18-K22 WeakPolarHBondContact O-CB 3.5Å; R18-K22 PolarHBondContact O-N 3.06Å; T19-K22 PolarHBondContact O-N 3.36Å; K22-T25 PolarHBondContact O-OG1 3.46Å; K22-R26 WeakPolarHBondContact O-CB 3.34Å; K22-R26 PolarHBondContact O-N 3.38Å
23L55.2Low56.9Low119 Ų119130.6 Ų130.662%0.62362%0.622SS**Hα-helixtrans-73.8-38.1169.2-91.590.5000111.3T19 G20 T25 R26 Q27T19-L23 VanDerWaalsContact O-CD1 3.28Å; T19-L23 WeakPolarHBondContact O-CD1 3.45Å; T19-L23 PolarHBondContact O-N 3.49Å; G20-L23 PolarHBondContact O-N 2.88Å; L23-T25 PolarHBondContact O-N 3.39Å; L23-R26 PolarHBondContact O-N 3.43Å; L23-Q27 WeakPolarHBondContact O-CB 3.41Å; L23-Q27 PolarHBondContact O-N 3.33Å
24S53.3Low55.5Low64 Ų64133 Ų13345%0.44863%0.633SS.*Hα-helixtrans-62.6-41.7177.1-175.40000112.1G20 Q21 Q27 L28G20-S24 WeakPolarHBondContact O-CB 3.39Å; G20-S24 PolarHBondContact O-N 3.12Å; Q21-S24 PolarHBondContact O-N 3.46Å; S24-Q27 PolarHBondContact O-N 3.33Å; S24-L28 WeakPolarHBondContact O-CB 3.15Å; S24-L28 WeakPolarHBondContact O-CG 3.13Å; S24-L28 PolarHBondContact O-N 3.42Å
25T56.1Low53.6Low80 Ų80134.5 Ų134.549%0.49164%0.644SS.*Hα-helixtrans-71.4-36.5174.751.40000113Q21 K22 L23 Q27 L28 N29Q21-T25 PolarHBondContact O-N 2.59Å; Q21-T25 PolarHBondContact O-OG1 3.19Å; K22-T25 PolarHBondContact O-OG1 3.46Å; L23-T25 PolarHBondContact O-N 3.39Å; T25-Q27 VanDerWaalsContact C-N 3.33Å; T25-Q27 PolarHBondContact O-N 3.43Å; T25-L28 PolarHBondContact O-N 3.29Å; T25-N29 PolarHBondContact O-N 3.03Å
26R49.8Very low51.9Low208 Ų208131.2 Ų131.279%0.78565%0.649SS**Hα-helixtrans-69.3-25.7172.2-83.7-170.7165.4-167.8-5.2114K22 L23 K30K22-R26 WeakPolarHBondContact O-CB 3.34Å; K22-R26 PolarHBondContact O-N 3.38Å; L23-R26 PolarHBondContact O-N 3.43Å; R26-K30 PolarHBondContact O-N 3Å
27Q51.8Low50.3Low129 Ų129133.9 Ų133.960%0.60367%0.665SS**Hα-helixtrans-77.5-37.9170.3-85-79.5-14.600112L23 S24 T25 N31L23-Q27 WeakPolarHBondContact O-CB 3.41Å; L23-Q27 PolarHBondContact O-N 3.33Å; S24-Q27 PolarHBondContact O-N 3.33Å; T25-Q27 VanDerWaalsContact C-N 3.33Å; T25-Q27 PolarHBondContact O-N 3.43Å; Q27-N31 PolarHBondContact O-ND2 3.14Å
28L48.9Very low48.8Very low104 Ų104134.2 Ų134.255%0.54567%0.669SS.*Hα-helixtrans-67.9-47.8176.5-80.7160.2000112.1S24 T25 K30 N31S24-L28 WeakPolarHBondContact O-CB 3.15Å; S24-L28 WeakPolarHBondContact O-CG 3.13Å; S24-L28 PolarHBondContact O-N 3.42Å; T25-L28 PolarHBondContact O-N 3.29Å; L28-K30 VanDerWaalsContact C-N 3.28Å; L28-K30 PolarHBondContact O-N 3.41Å; L28-N31 PolarHBondContact O-N 2.79Å
29N46.8Very low47.3Very low111 Ų111131.3 Ų131.359%0.59467%0.669SS**Hα-helixtrans-67.5-23.8178.8-8250.5000113.9T25 N31T25-N29 PolarHBondContact O-N 3.03Å; N29-N31 VanDerWaalsContact C-N 3.27Å; N29-N31 PolarHBondContact O-N 2.73Å
30K48.3Very low45.9Very low183 Ų183134.3 Ų134.380%0.79669%0.687SS**THydrogen-bonded Turntrans-77.9-7.6172.8-81.2-157.4169.1-157.40114.4R26 L28R26-K30 PolarHBondContact O-N 3Å; L28-K30 VanDerWaalsContact C-N 3.28Å; L28-K30 PolarHBondContact O-N 3.41Å
31N44.6Very low44.4Very low125 Ų125139.5 Ų139.567%0.66871%0.706SS**THydrogen-bonded Turntrans-112.621.6177.1-69.8-66.8000112.8Q27 L28 N29Q27-N31 PolarHBondContact O-ND2 3.14Å; L28-N31 PolarHBondContact O-N 2.79Å; N29-N31 VanDerWaalsContact C-N 3.27Å; N29-N31 PolarHBondContact O-N 2.73Å
32Q47.9Very low43.4Very low152 Ų152137.4 Ų137.471%0.7171%0.706SS**SBendtrans-124.7-1.3177-71.4-164.3-4600115.4
33H40.4Very low42.3Very low181 Ų181137.1 Ų137.184%0.83871%0.712SS**SBendtrans-102.829.1177.3-92.7-88.3000113.9
34H38.1Very low41.3Very low173 Ų173136 Ų13680%0.80171%0.714SS**SBendtrans-154.567.4178.7-168.3-74.6000112.2
35L32.4Very low40.3Very low161 Ų161137.6 Ų137.684%0.84373%0.725SS**  trans-16963.9152.2-129.473.5000114.6
36S33.8Very low39.3Very low111 Ų111139.1 Ų139.178%0.77674%0.739SS**  trans-164.5138.7159.853.60000107.1
37I34.9Very low38.6Very low165 Ų165133.5 Ų133.585%0.84673%0.732SS**  cis-120.416320.9-69.1165.9000111
38I38Very low37.8Very low135 Ų135134.7 Ų134.769%0.69274%0.742SS**  trans-122137178.3-73.2175.9000109.7
39D31.3Very low36.9Very low139 Ų139137 Ų13774%0.74376%0.755SS**  trans49.2125.1164.3-55-19000120.5
40T36.6Very low36.3Very low142 Ų142137.6 Ų137.687%0.87176%0.763SS**  -171.4141.392.7210000115.3
41N31.3Very low35.4Very low150 Ų150135 Ų13580%0.80276%0.763SS**  trans-50.7152176.1-60.9-55.9000116.3
42S35.5Very low34.9Very low96 Ų96135.9 Ų135.967%0.67177%0.766SS**  164.4133.892.4-100.80000115.6
43N32.8Very low34.2Very low152 Ų152132.8 Ų132.881%0.81376%0.761SS**  trans64.4148.7144.9-62.4-5.8000119.5
44S34.1Very low34.1Very low95 Ų95130.8 Ų130.866%0.66476%0.757SS**  cis-169.1152.6-12.146.90000112.9
45S33.6Very low33.8Very low97 Ų97128.8 Ų128.868%0.67875%0.752SS**  trans62.9127.914461.40000122.4
46S34Very low34Very low112 Ų112128.3 Ų128.378%0.78376%0.756SS**  trans72.1146.3142.567.80000119.4
47S35.7Very low34.2Very low90 Ų90126.9 Ų126.963%0.62976%0.758SS**  cis-173.6154.8-16.850.50000111.8
48N35.7Very low34.2Very low154 Ų154125.2 Ų125.282%0.82476%0.756SS**  trans70.9127.5153.7-58.2-17000119.7
49N30.1Very low34Very low153 Ų153124.3 Ų124.382%0.81876%0.762SS**  trans-46.5159.5163.4-48.2-13.1000114.4
50T32.9Very low34.1Very low123 Ų123121.5 Ų121.576%0.75576%0.758SS**  140.285.6128.6-53.90000113.6
51T30.3Very low33.9Very low128 Ų128123 Ų12379%0.78576%0.755SS**  68.1162.5129.6-36.70000120.3
52I33.4Very low33.9Very low144 Ų144123.4 Ų123.474%0.73875%0.754SS**  trans93.773.4161.8-46.8-177.5000117.8
53S34.3Very low33.8Very low88 Ų88123.5 Ų123.562%0.61576%0.755SS**  78.6147.6117800000124.2
54N36.7Very low33.9Very low139 Ų139121 Ų12174%0.74375%0.75SS**  trans82.894.8142.1-62.6-17.4000121.9
55N33.3Very low33.9Very low130 Ų130123.3 Ų123.370%0.69575%0.754SS**  44.5150.9118.1-64.69.7000123.6
56T35.3Very low33.9Very low152 Ų152125.9 Ų125.993%0.93376%0.759SS**  trans95.5131.3157.372.20000118.2
57G38.6Very low33.8Very low80 Ų80125.2 Ų125.283%0.82575%0.754SS**  trans1618818000000110.9
58T34.8Very low33.8Very low130 Ų130127 Ų12780%0.79876%0.761SS**  trans-116167.3-178.352.90000112
59S33.5Very low33.6Very low117 Ų117126.1 Ų126.182%0.81876%0.756SS**  trans79.5155.3170.5-44.10000115.9
60A33.4Very low33.8Very low80 Ų80124.2 Ų124.266%0.66176%0.755SS**  cis-176.5176.5-26.100000107.8
61E33.3Very low33.6Very low174 Ų174124.9 Ų124.981%0.81375%0.754SS**  trans65.6160.8154.3-76.6178174.700118
62M31.4Very low33.7Very low157 Ų157130 Ų13077%0.77376%0.759SS**  cis-164.6153.9-39.6-125.1-172.8-165.200108.9
63S32Very low33.6Very low99 Ų99131.7 Ų131.769%0.69276%0.761SS**  trans59.6126.9146.3-55.80000121.4
64S35.7Very low33.5Very low100 Ų100134.8 Ų134.870%0.69977%0.771SS**  140.1114.1108.766.60000118.3
65N33.9Very low33.1Very low143 Ų143135.5 Ų135.577%0.76578%0.775SS**  74.9115.6120.3-62.6-4.3000123.7
66L33.3Very low33Very low150 Ų150134.3 Ų134.379%0.78578%0.776SS**  90.9122.9123.6-94.766.6000122.5
67C31.8Very low32.8Very low98 Ų98133.8 Ų133.866%0.66277%0.766SS**  104.8112.4124.4-800000123.4
68T36Very low32.4Very low127 Ų127136.2 Ų136.278%0.77976%0.761SS**  75.785.1129.158.10000122.1
69N31Very low32.2Very low136 Ų136137.1 Ų137.173%0.72776%0.76SS**  12.7123.5116.1-176.4-2000118.8
70S34.5Very low32.2Very low114 Ų114134.8 Ų134.880%0.79776%0.755SS**  trans-172.3113.3136.2-87.80000116.2
71N30.1Very low32.3Very low136 Ų136136.1 Ų136.173%0.72776%0.76SS**  trans1.6135.2146.3-77.9-71.8000120.8
72R32.3Very low32.4Very low237 Ų237138.3 Ų138.389%0.89476%0.761SS**  -174.4130.5119.7-103.8163.5-162.7-163.65.6117.2
73F30.6Very low32.5Very low178 Ų178136 Ų13678%0.78176%0.76SS**  trans-0.4131.7139.3-71.6-105.7000118.6
74N32.3Very low32.5Very low154 Ų154135.3 Ų135.382%0.82476%0.755SS**  -174.5152.293.7-101.9-61.6000116.2
75N27.5Very low32.6Very low154 Ų154139.4 Ų139.482%0.82476%0.76SS**  trans-72.1130.4162-93.5-56.1000111
76S31.8Very low32.6Very low104 Ų104138.8 Ų138.873%0.72776%0.756SS**  trans-164.8113.5153.3-88.90000110.4
77I30.4Very low32.5Very low141 Ų141135.8 Ų135.872%0.72374%0.741SS**  87.8121.378.3-77.4169.2000112.8
78N30.4Very low32.6Very low131 Ų131137.2 Ų137.270%0.70174%0.738SS**  trans76.6133.3155.4-77.4-17000122.8
79N30.4Very low32.5Very low149 Ų149137.2 Ų137.280%0.79773%0.729SS**  trans60.8120.5137.6-57.7-25.1000119.6
80G34.5Very low32.7Very low69 Ų69134.7 Ų134.771%0.71171%0.713SS**  cis125.4-174.7-2.100000113.4
81S34.1Very low32.7Very low108 Ų108132.1 Ų132.176%0.75569%0.688SS**  trans70.2150-179.6-64.90000116.1
82R35.9Very low32.9Very low219 Ų219129.2 Ų129.283%0.82667%0.67SS**  cis-166.7139.1-13.4-113.5168.8175.4173.5-1.2109.5
83S33.7Very low33.1Very low108 Ų108122.1 Ų122.176%0.75565%0.647SS**  trans60.4154.1134.5-62.90000121.2
84S33.1Very low33.2Very low85 Ų85119.7 Ų119.759%0.59464%0.643SS**  cis-179.4174.6-18.760.60000110
85K37.2Very low33.2Very low186 Ų186118.1 Ų118.181%0.80964%0.639SS**  trans75147.5148.3-79172.1-174.6175.40117.8
86L33.1Very low33.3Very low130 Ų130119.7 Ų119.768%0.68164%0.641SS**  cis-166.4143.6-9.7-173.560.1000112.2
87N31.4Very low33.3Very low87 Ų87125.3 Ų125.347%0.46565%0.646SS.*  trans55.3-173.5155-72.81000119.1K1386N87-K1386 PolarHBondContact O-NZ 3.41Å
88Q34.1Very low33.6Very low129 Ų129123 Ų12360%0.60364%0.641SS**  cis-133.3154.4-48.8-110.2161.8-2200108.4
89Q34Very low33.5Very low127 Ų127122.7 Ų122.759%0.59364%0.639SS**  62.1136.5103.1-132.6170.5-3200113.9
90Q35.9Very low33.5Very low82 Ų82121.5 Ų121.538%0.38363%0.632SS.*  cis-150-170.116.5-156.6145.2-14.900113.1Y1381 K1385Q90-Y1381 PolarHBondContact NE2-OH 2.86Å; Q90-K1385 WeakPolarHBondContact O-CD 3.32Å; Q90-K1385 PolarHBondContact O-NZ 2.88Å
91Q34.4Very low33.2Very low60 Ų60125.2 Ų125.228%0.2864%0.635SS.*  trans-25.9172.4166.6-68.9158.7-8.200119.3Y1381Q91-Y1381 VanDerWaalsContact NE2-CE1 3.26Å; Q91-Y1381 PolarHBondContact NE2-OH 2.85Å
92Q34.5Very low33Very low75 Ų75123.7 Ų123.735%0.3562%0.624SS.*  cis-166.4170.5-7.4-119.61723400112.8S1379 Y1381Q92-S1379 PolarHBondContact OE1-OG 2.94Å; Q92-Y1381 PolarHBondContact NE2-O 3.25Å
93Q35.4Very low32.7Very low88 Ų88120.7 Ų120.741%0.41162%0.624SS.*  trans81.2123.6144.1-82.9173.490.300124.1S1379Q93-S1379 VanDerWaalsContact CD-CB 3.45Å; Q93-S1379 PolarHBondContact NE2-OG 2.9Å
94N32.6Very low32.7Very low128 Ų128120.7 Ų120.768%0.68462%0.619SS**  trans71.9100.1132.8-66.221.1000122.8
95T32Very low32.7Very low121 Ų121122.9 Ų122.974%0.74262%0.624SS**  34.4113.2106-28.20000118
96Q30Very low32.7Very low186 Ų186120.2 Ų120.287%0.86962%0.619SS**  -164.6138.497-100.1175.58.900113.5
97R31.4Very low32.8Very low222 Ų222120.5 Ų120.584%0.83862%0.621SS**  trans-71.4173.8158.3-115.8-176.4173.3-128.15.9109
98P37.2Very low32.7Very low94 Ų94122 Ų12261%0.6163%0.629SS**  cis-124.1-132-7.425.41.6000108.1
99D28.5Very low32.5Very low123 Ų123121.8 Ų121.866%0.65864%0.636SS**  cis-165.4-178.7-4.9-140.6-33.9000111.1
100I31.1Very low32.3Very low125 Ų125120.9 Ų120.964%0.64164%0.64SS**  trans68.2104.6148.6-70.4161.5000117.8
101N28.1Very low32Very low146 Ų146123.8 Ų123.878%0.78166%0.658SS**  trans67165.9133.8-67.515.1000119.8
102S28.8Very low31.7Very low76 Ų76124.8 Ų124.853%0.53167%0.671SS.*  cis-178.4164.5-29.661.30000108.4
103L29.7Very low31.3Very low156 Ų156128.7 Ų128.782%0.81769%0.693SS**  trans64.1165164-87.146000115.6
104V34.2Very low31.1Very low108 Ų108127.8 Ų127.866%0.65571%0.708SS**  cis-159.4-144.8-48.1740000104.9
105D33.6Very low31Very low132 Ų132126 Ų12671%0.70671%0.705SS**  trans70.5142.4163-52.2-44.1000117
106D35.7Very low30.9Very low130 Ų130126.9 Ų126.970%0.69571%0.705SS**  cis-162.7-164.6-32.3-144.2-11.9000108.6
107D35.8Very low30.9Very low136 Ų136124.2 Ų124.273%0.72770%0.697SS**  trans76.3145.3157.6-71.2-40.3000118.1
108N30.1Very low31Very low118 Ų118118.8 Ų118.863%0.63169%0.693SS**  cis159.7176-24.8-107.3-49000105.4
109T30.2Very low30.8Very low124 Ų124118.9 Ų118.976%0.76170%0.696SS**  trans71.3144.2169.477.10000115.7
110T29.5Very low30.9Very low109 Ų109118.7 Ų118.767%0.66969%0.694SS**  cis-166.7159.9-23.224.70000106.5
111D28.2Very low31Very low143 Ų143120.1 Ų120.177%0.76570%0.695SS**  trans66.2161.5150.4-79.5-46.9000117.7
112S28.3Very low31.2Very low80 Ų80119.8 Ų119.856%0.55969%0.689SS**  cis-160.4162.9-29.2-121.80000109.9
113I27.8Very low31.3Very low158 Ų158121.4 Ų121.481%0.8170%0.696SS**  trans42123.9142.6-56.1159.8000119.1
114G29.3Very low31.3Very low69 Ų69118 Ų11871%0.71169%0.685SS**  trans143.269.7166.300000113.1
115S30.9Very low31.1Very low90 Ų90124 Ų12463%0.62970%0.696SS**  67.9138.863.4-51.90000114.2
116N31.1Very low30.9Very low140 Ų140122.6 Ų122.675%0.74970%0.696SS**  trans77.9142.8164.7-50.5-39.6000116.5
117N29.9Very low30.6Very low130 Ų130121.7 Ų121.770%0.69570%0.697SS**  cis-166.6171.1-15.4-113.8-25.5000110.7
118S32.4Very low30.1Very low107 Ų107119.2 Ų119.275%0.74869%0.69SS**  trans65.8151.9150.546.90000118
119S33.1Very low29.9Very low96 Ų96121.9 Ų121.967%0.67170%0.699SS**  cis-149.8124.1-2.8-115.80000109
120I31.1Very low29.7Very low120 Ų120120.2 Ų120.262%0.61569%0.692SS**  84.397.792.1-79-179.7000113.7
121K32.4Very low29.6Very low155 Ų155119.2 Ų119.267%0.67469%0.69SS**  trans69.7169.7132.5-53.9178.2-150.3157.90116.3
122H33.3Very low29.5Very low139 Ų139119.3 Ų119.364%0.64469%0.691SS**  cis-135.4130.514.3-103.9-79.2000109.8
123T31.5Very low29.3Very low110 Ų110121.7 Ų121.768%0.67570%0.697SS**  51.2140.998.772.90000114.6
124S28.9Very low29.4Very low84 Ų84118.5 Ų118.559%0.58769%0.685SS**  cis-170.7179.317.825.30000108.2
125W30.6Very low29.4Very low235 Ų235121.1 Ų121.189%0.8968%0.683SS**  cis-126.8153.319.3-65.6-61.8000110.2
126S28Very low29.4Very low101 Ų101122.1 Ų122.171%0.70668%0.681SS**  cis6915143.9-48.70000112.9
127P30.9Very low29.6Very low112 Ų112121.2 Ų121.273%0.72768%0.676SS**  cis-124157.610.346.9-33.1000113.3
128S24.8Very low29.6Very low83 Ų83120.4 Ų120.458%0.5867%0.672SS**  64.314891.599.20000117.2
129E25.7Very low29.5Very low174 Ų174120.1 Ų120.181%0.81367%0.67SS**  trans65155.6156.6-71.5152.5-11100118.4
130S26.5Very low29.2Very low89 Ų89122.1 Ų122.162%0.62267%0.673SS**  cis-159.7-173.1-28.866.20000108.8
131S26.1Very low29Very low88 Ų88121.3 Ų121.362%0.61568%0.678SS**  trans38.2115.1142.9-42.60000119.8
132N26.1Very low28.7Very low146 Ų146125.5 Ų125.578%0.78169%0.69SS**  trans72.2158.5149.1-49-28.2000115.7
133N25.8Very low28.5Very low129 Ų129122.3 Ų122.369%0.6969%0.694SS**  cis-142.5153.5-6.1-133.6-1000113.2
134T28.5Very low28.2Very low91 Ų91124.5 Ų124.556%0.55870%0.701SS**  trans-19.8138.1147.761.20000114.7
135N29.1Very low28.1Very low124 Ų124125.8 Ų125.866%0.66371%0.711SS**  168.5157.995.6-80.9-46.5000106.9
136N31.8Very low27.9Very low112 Ų112119.4 Ų119.460%0.59970%0.702SS**  cis-168.5164.8-12.3-103.5-15.4000106.6
137N34.6Very low27.9Very low121 Ų121121 Ų12165%0.64770%0.702SS**  cis-140.9146.54.1-107.6-37.7000106.9
138N30.4Very low27.8Very low113 Ų113123.6 Ų123.660%0.60470%0.702SS**  46.6133.686.3-62.2-57.2000113.8
139S29.5Very low28.1Very low101 Ų101124.5 Ų124.571%0.70670%0.7SS**  cis-144.4153.830.9-62.80000110.5
140N27.2Very low28.3Very low137 Ų137122.9 Ų122.973%0.73369%0.692SS**  44.3139.177.4-45-59.9000114
141S27.6Very low28.5Very low103 Ų103124.7 Ų124.772%0.7270%0.695SS**  cis-152.5164.613.166.70000115.1
142R25.7Very low28.6Very low244 Ų244127.7 Ų127.792%0.92170%0.699SS**  trans-8.2137.9134.3-58.3163.8169.8158.1-5.8116.1
143G29.8Very low28.7Very low71 Ų71126.9 Ų126.973%0.73269%0.693SS**  trans166.486.7169.100000109.5
144N24.6Very low28.8Very low156 Ų156125.2 Ų125.283%0.83469%0.692SS**  54.5142.877.5-88.11000115.4
145S27.6Very low28.9Very low112 Ų112127.4 Ų127.478%0.78370%0.699SS**  trans76.1131.1-178.1-21.50000112
146S25.8Very low28.8Very low101 Ų101129 Ų12971%0.70671%0.707SS**  cis58.3118.446-154.60000109.3
147L27.9Very low28.9Very low133 Ų133127 Ų12770%0.69671%0.713SS**  -133.7163.450.4-103.284.9000110.2
148K28.1Very low28.6Very low168 Ų168128.7 Ų128.773%0.7372%0.722SS**  46.4131.180.4-88.2-177.7-176.3-179.90111.7
149D31.4Very low28.6Very low101 Ų101130.6 Ų130.654%0.5473%0.731SS.*  cis-153.5160.230.8-96.4-48.8000114.2
150Q29.8Very low28.6Very low140 Ų140132.6 Ų132.665%0.65473%0.729SS**  trans33.7128.1133.9-48.7156.530.200118.1
151N30.7Very low28.6Very low127 Ų127132.7 Ų132.768%0.67973%0.726SS**  -160.9148.264.8-91.1-77.2000110.7
152H28.7Very low28.6Very low152 Ų152134.2 Ų134.270%0.70472%0.721SS**  49124.383.9-88.5-112.4000111.8
153I28.9Very low28.6Very low129 Ų129129.1 Ų129.166%0.66271%0.708SS**  cis-153.7131.929-101.3142.9000107.7I155I153-I155 HydrophobicContact CG2-CD1 4.28Å
154S27.4Very low28.4Very low94 Ų94130.6 Ų130.666%0.65770%0.696SS**  74.9159.668.8-49.90000114.6
155I29.9Very low28.4Very low136 Ų136130.8 Ų130.870%0.69769%0.692SS**  trans81.8100.9167.3-55.1162.9000113.5I153I153-I155 HydrophobicContact CG2-CD1 4.28Å
156N27.1Very low28.4Very low158 Ų158128.8 Ų128.885%0.84569%0.688SS**  87.4150.570.5-63.4-14.5000113.5
157G34.1Very low28.4Very low69 Ų69131.3 Ų131.371%0.71169%0.692SS**  trans105.7100.7-174.500000110.5
158D28Very low28.3Very low157 Ų157130.7 Ų130.784%0.8470%0.698SS**  cis61.675.123.9-93.7-27.3000114
159L31.7Very low28.1Very low153 Ų153127.2 Ų127.280%0.80169%0.694SS**  trans-166.1101.7145.3-12459.4000106.3
160Q27.8Very low27.8Very low143 Ų143127.6 Ų127.667%0.66871%0.705SS**  73.8135.378.8-76.5-169.315.400115.4
161Q27.9Very low27.6Very low140 Ų140129.6 Ų129.665%0.65471%0.712SS**  trans73142.6151.6-67175.746.600116.2
162Q26.8Very low27.5Very low134 Ų134130.6 Ų130.663%0.62672%0.717SS**  cis65.1135.146.8-178.9-170.793.300109.8
163Q27.4Very low27.4Very low137 Ų137130.7 Ų130.764%0.6472%0.718SS**  cis-105.1154.95.8-100.497.48.700111.6
164Q24.4Very low27.5Very low103 Ų103130.5 Ų130.548%0.48172%0.723SS.*  58128.766-55.4177.1-9.700115.7
165Q25.6Very low27.5Very low160 Ų160133.1 Ų133.175%0.74873%0.729SS**  trans60.1104.9143.3-62.3173.556.200119.4
166G26.4Very low27.5Very low69 Ų69133.4 Ų133.471%0.71173%0.731SS**  trans-178.966.7166.600000109.5C168G166-C168 PolarHBondContact O-N 3.32Å
167I26.6Very low28.2Very low155 Ų155130.4 Ų130.480%0.79572%0.721SS**  4667.587.5-46.8-177.8000111.6
168C24.8Very low27.8Very low119 Ų119134.8 Ų134.880%0.80473%0.727SS**  trans-152.3137151-1050000106G166G166-C168 PolarHBondContact O-N 3.32Å
169S24.8Very low27.8Very low95 Ų95131.5 Ų131.566%0.66472%0.716SS**  cis148.297.64.9-98.40000104.4
170S24.4Very low27.7Very low110 Ų110130 Ų13077%0.76971%0.709SS**  trans48.694.8140.2-49.70000120
171K26.5Very low27.8Very low182 Ų182130.2 Ų130.279%0.79171%0.712SS**  trans-165.9137130.3-88.4132.6-170.8178.90107.9
172N28.8Very low27.8Very low148 Ų148129.3 Ų129.379%0.79171%0.711SS**  cis72.653.910.4-151.782.4000116.9
173E27.1Very low28Very low154 Ų154128.3 Ų128.372%0.7272%0.72SS**  trans-152.4125.9150.7-94.3130.9-170.800104.2
174T29.2Very low28Very low124 Ų124129.1 Ų129.176%0.76172%0.723SS**  74.5145.456.4-57.80000112.3
175L27.7Very low28.1Very low149 Ų149129.6 Ų129.678%0.7874%0.737SS**  trans81.7109-161.5-50.8173.1000111.6
176N29.3Very low28.4Very low142 Ų142126.8 Ų126.876%0.75974%0.735SS**  cis68.7147.114.5-140.423.3000113.5
177P43.2Very low28.5Very low95 Ų95130.7 Ų130.762%0.61774%0.738SS**  -112.8-144.5-84.137.7-24.3000110.2
178L26Very low28.5Very low162 Ų162130.3 Ų130.385%0.84874%0.736SS**  trans77149.6175-56.9139.3000114.3
179S26.7Very low28.8Very low87 Ų87130.1 Ų130.161%0.60872%0.723SS**  cis-163.4-159.5-15.148.50000109.9
180D29.3Very low29Very low123 Ų123129.9 Ų129.966%0.65871%0.712SS**  trans77.8128.5159.8-58.211.9000117.3
181M30.9Very low29.4Very low147 Ų147133.2 Ų133.272%0.72471%0.707SS**  cis-140.4139.5-23.5-79.2-60.8178.700105.7
182N27.1Very low29.6Very low120 Ų120128.1 Ų128.164%0.64269%0.694SS**  cis73.590.648.2-163.825.2000114.6
183S32.1Very low29.8Very low114 Ų114129.5 Ų129.580%0.79769%0.693SS**  trans-150.388.5155.1-72.30000105.6
184Q27.7Very low29.9Very low154 Ų154127.5 Ų127.572%0.7269%0.692SS**  72.6106.496.8-74.3-175.1-0.800111.7
185C25Very low29.9Very low113 Ų113125.8 Ų125.876%0.76469%0.685SS**  84.7137.789.6-70.40000111.4
186S32.1Very low29.9Very low101 Ų101126.7 Ų126.771%0.70669%0.689SS**  cis-138.9147.58.8-43.60000108
187I28.3Very low29.8Very low151 Ų151124 Ų12477%0.77468%0.681SS**  45.8104.660.9-50.1-176.9000113.5
188I28.2Very low29.1Very low147 Ų147128 Ų12875%0.75469%0.689SS**  trans164.4139.7146.9-91.7155.8000107.9
189E30.2Very low29.2Very low115 Ų115126.6 Ų126.654%0.53768%0.682SS.*  cis-175.3136.7-14.6-176.6157-162.900112.1Q300E189-Q300 PolarHBondContact O-NE2 3.01Å
190Q29.9Very low29.2Very low90 Ų90127.1 Ų127.142%0.42169%0.686SS.*  trans60.2154.7159.3-73179.272.800118.7Q300 Q301Q190-Q300 VanDerWaalsContact O-CB 3.27Å; Q190-Q300 WeakPolarHBondContact O-CB 3.4Å; Q190-Q300 WeakPolarHBondContact O-CG 3.21Å; Q190-Q300 PolarHBondContact O-NE2 3.06Å; Q190-Q301 CarbonylContact C-O 3.58Å
191R31.3Very low29.2Very low180 Ų180128.2 Ų128.268%0.67969%0.69SS**  cis-155.2147.73-124.6176.7-158-174.17.8110.5Q300 Q301R191-Q300 CarbonylContact C-O 3.46Å; R191-Q301 CarbonylContact C-O 3.53Å; R191-Q301 WeakPolarHBondContact CA-O 3.41Å; R191-Q301 PolarHBondContact N-O 3.01Å; R191-Q301 VanDerWaalsContact N-O 3.16Å
192S32Very low29.2Very low74 Ų74127.5 Ų127.552%0.51769%0.686SS.*  trans-3.4151142.259.90000119.9Q301S192-Q301 PolarHBondContact N-O 3.05Å
193K32.2Very low29.3Very low177 Ų177126.2 Ų126.277%0.7768%0.678SS**  cis-178.1168.224.7-125.1167.2-169.5-177.20112.1
194T30.1Very low29.1Very low113 Ų113124.1 Ų124.169%0.69366%0.66SS**  trans2.9152.9146.355.60000121
195S28.2Very low29.3Very low87 Ų87123.9 Ų123.961%0.60866%0.659SS**  cis170.2157.6-6.753.70000109.5
196I28.5Very low29.5Very low168 Ų168122.3 Ų122.386%0.86265%0.649SS**  trans70.1151.6170.1-55.1161.5000112.8
197S27.1Very low29.4Very low87 Ų87123 Ų12361%0.60865%0.645SS**  cis-172.8158.9-34.7-170.80000108.1
198F28Very low29.6Very low178 Ų178123.1 Ų123.178%0.78164%0.642SS**  trans68.8132.7172.9-73.3-80.5000119.1
199D27.6Very low29.8Very low132 Ų132119.8 Ų119.871%0.70663%0.632SS**  trans62121.6137.1-57.8-5.3000124.7
200S27.3Very low29.9Very low99 Ų99121.6 Ų121.669%0.69265%0.645SS**  85.4122.1123.1-69.80000124.3
201I28.7Very low30.1Very low145 Ų145121.2 Ų121.274%0.74465%0.652SS**  89.6105.1128.2-68.3172.3000120.9
202Q30.9Very low30.1Very low133 Ų133118.4 Ų118.462%0.62165%0.651SS**  trans67.9172.3132-79-75.42600124.7
203L29.4Very low30.2Very low93 Ų93122.1 Ų122.149%0.48766%0.658SS.*  trans77.5136.5165.2-61.8103.5000117.8E628L203-E628 WeakPolarHBondContact CD2-O 3.2Å; L203-E628 WeakPolarHBondContact CG-O 3.45Å
204T28.7Very low30.1Very low69 Ų69119.4 Ų119.442%0.42365%0.651SS.*  cis-163.5155.7-10.121.10000110.1N629T204-N629 WeakPolarHBondContact CG2-O 3.36Å
205H31.4Very low30.4Very low150 Ų150119.2 Ų119.269%0.69465%0.646SS**  144.9103.2123.1-80.2-58.8000117.9
206S30.5Very low30.8Very low79 Ų79122.8 Ų122.855%0.55265%0.653SS**  80.8105.1115-68.20000121.7
207N29.3Very low30.7Very low116 Ų116119.3 Ų119.362%0.6264%0.643SS**  138.5139.188.4-88-6.4000116.9
208H32.8Very low30.8Very low153 Ų153119.7 Ų119.771%0.70865%0.645SS**  trans76.1144.1145.7-72.8-6000118.9
209S32.9Very low30.7Very low78 Ų78117.7 Ų117.755%0.54564%0.642SS.*  cis-170.1150.60.4-116.70000113.2
210N31.3Very low30.7Very low153 Ų153117.4 Ų117.482%0.81865%0.645SS**  trans67.1157.8151.3-70.4-48.3000116.8
211S33Very low30.7Very low81 Ų81117.1 Ų117.157%0.56664%0.643SS**  cis-161.3146.25.8105.30000111.9
212N31.5Very low30.7Very low122 Ų122114.9 Ų114.965%0.65264%0.641SS**  trans64.8151.4147.1-62-39.6000118.2
213K34.1Very low30.7Very low152 Ų152117.5 Ų117.566%0.66165%0.65SS**  cis-168.1161.6-9-117.8-179.9-177.776.40108.8
214N30.8Very low30.8Very low119 Ų119118.2 Ų118.264%0.63666%0.663SS**  trans66.4146.9149.3-72.539.8000117.2
215D37.1Very low32Very low109 Ų109120.3 Ų120.358%0.58368%0.678SS**  cis-149.8152.10.7-111-30000111.9
216H35.5Very low32.5Very low162 Ų162118.4 Ų118.475%0.7568%0.678SS**  trans53.3144.4148.2-71.1-48.9000122
217C26.4Very low32.6Very low95 Ų95122.4 Ų122.464%0.64269%0.693SS**  cis-173.9148.9-24.3-1390000108.7
218S28.8Very low33.1Very low95 Ų95121.9 Ų121.966%0.66470%0.698SS**  trans67.3160.9143.9-61.30000119.2
219L27.9Very low33.4Very low136 Ų136119.9 Ų119.971%0.71270%0.699SS**  cis-168132.7-27.3-103.2169.4000104.7
220T26.3Very low33.2Very low126 Ų126120.7 Ų120.777%0.77370%0.704SS**  trans62.2178.2148.766.80000116
221S27.5Very low33Very low94 Ų94120.8 Ų120.866%0.65771%0.705SS**  cis-161.8156.5-42.252.50000112
222S28.3Very low32.8Very low98 Ų98121.4 Ų121.469%0.68571%0.709SS**  trans73.8158.7146.282.80000120.6
223K31.3Very low32.7Very low187 Ų187120.1 Ų120.181%0.81371%0.71SS**  trans77.586.7157.4-70.3175178.6175.30120
224S30.6Very low32.5Very low108 Ų108117.5 Ų117.576%0.75571%0.711SS**  -38.8175.7121.236.50000116
225P53.8Low32.4Very low114 Ų114116.5 Ų116.574%0.7471%0.713SS**  cis-118.4-159.8-38.434.5-15.7000109.9
226P42.1Very low32.1Very low109 Ų109115.9 Ų115.971%0.70872%0.717SS**  -153.1147.399.737-18.2000118.4
227L33.3Very low31.8Very low163 Ų163112.6 Ų112.685%0.85371%0.712SS**  trans55.9109.6136.5-59.2172000121.6
228S39.3Very low32Very low106 Ų106112.7 Ų112.774%0.74171%0.714SS**  trans-54.4159.9139.158.60000112.1
229P39.2Very low32.1Very low110 Ų110112.6 Ų112.671%0.71471%0.714SS**  -153.8-17089.440.9-22.2000115.3
230S29.2Very low32.2Very low95 Ų95112 Ų11266%0.66471%0.711SS**  trans71.9128.7158.5400000116.5
231N27Very low32.5Very low155 Ų155113.6 Ų113.683%0.82971%0.71SS**  63.4132.954.9-64.5-14.6000111.4
232S29.5Very low32.6Very low94 Ų94112.8 Ų112.866%0.65770%0.704SS**  cis-167.9-172.4-243.40000107.9
233S29Very low32.6Very low96 Ų96114.5 Ų114.567%0.67170%0.704SS**  trans52.8126.4137.660.90000119.2
234S29.2Very low32.5Very low96 Ų96110.2 Ų110.267%0.67170%0.698SS**  cis177-177.64420000107.3
235S29.4Very low32.3Very low98 Ų98111.8 Ų111.869%0.68569%0.692SS**  trans55.3129.8135.763.30000119.6
236S29.6Very low31Very low96 Ų96115.9 Ų115.967%0.67169%0.692SS**  cis174.6169.51.243.70000107.8
237S29.8Very low30.4Very low93 Ų93115.9 Ų115.965%0.6569%0.686SS**  trans52.2124.2141.464.90000117.6
238S30Very low30.1Very low97 Ų97114 Ų11468%0.67868%0.677SS**  -163136.155.9-59.10000108.6
239S31Very low29.5Very low94 Ų94114.9 Ų114.966%0.65767%0.67SS**  50.2123.295.8-33.80000112.5
240N30.9Very low28.9Very low122 Ų122116 Ų11665%0.65267%0.67SS**  -169.6157.665.2-98.2-58000113.6
241H32.7Very low28.8Very low161 Ų161115.6 Ų115.675%0.74567%0.667SS**  trans57.1134.8144.7-65-40.2000119.4
242S29.1Very low28.8Very low77 Ų77115.3 Ų115.354%0.53866%0.66SS.*  cis-167.6163.61.4-115.10000111.8
243L29.1Very low28.6Very low133 Ų133120 Ų12070%0.69666%0.664SS**  trans25.4126.5134.7-48.1166.9000116.3
244S28.3Very low28.6Very low97 Ų97120.3 Ų120.368%0.67866%0.658SS**  -165.1138.150.4-55.50000113.7
245F27.7Very low28.6Very low142 Ų142120.7 Ų120.762%0.62365%0.653SS**  40.4123.1128-63.1-48000121.6
246R26.7Very low28.6Very low199 Ų199120.3 Ų120.375%0.75164%0.643SS**  72.9153.8124.4-62.8176.9-178.9162.5-1.5116.8
247N28.2Very low28.8Very low109 Ų109121.6 Ų121.658%0.58364%0.638SS**  cis-138.9153.7-12.4-116.36.2000106.4E249N247-E249 PolarHBondContact ND2-OE1 3.04Å
248N26.6Very low28.9Very low124 Ų124122.7 Ų122.766%0.66364%0.636SS**  49.4155.374.2-157.643.7000114.2
249E27.8Very low28.9Very low124 Ų124124.5 Ų124.558%0.57964%0.637SS**  trans67.3100.2177.9-73.1140.8-99.800113.1N247N247-E249 PolarHBondContact ND2-OE1 3.04Å
250N26.8Very low28.9Very low135 Ų135123.2 Ų123.272%0.72264%0.639SS**  88.3108.883.3-88.7-36.6000110
251S27.7Very low29Very low85 Ų85125.8 Ų125.859%0.59464%0.644SS**  83.5139.173.7-75.10000111.2
252Q26.9Very low29.2Very low149 Ų149124.4 Ų124.470%0.69664%0.642SS**  trans72.5154.8153.3-67.3173.61.500116.2
253W24.9Very low29.5Very low193 Ų193126 Ų12673%0.73165%0.649SS**  cis-141.3154.6-0.5-122.9-13.9000113.9
254N28.8Very low29.8Very low103 Ų103126.7 Ų126.755%0.55165%0.653SS**  trans19.7144.9131.7-60.10.6000119.4
255N29.3Very low30.2Very low104 Ų104127.1 Ų127.156%0.55665%0.651SS**  175.6146.6101.1-81.3-42.4000107
256N29.8Very low30.6Very low89 Ų89127.5 Ų127.548%0.47666%0.658SS.*  cis-168.1169.2-8.1-99.4-21.3000105.8
257H33.9Very low31Very low124 Ų124124.6 Ų124.657%0.57466%0.658SS**  cis-160148.85-126.428.4000106.8
258N30.5Very low31.4Very low115 Ų115123.1 Ų123.162%0.61566%0.656SS**  57.5147.394.4-72.1-13.8000116.7
259I29.7Very low31.9Very low135 Ų135126.3 Ų126.369%0.69266%0.664SS**  cis-161.6157.50.4-122.9164.1000112.8
260G32Very low32.2Very low67 Ų67127.1 Ų127.169%0.69167%0.672SS**  trans90.3164.6142.800000118.3
261K33.3Very low32.8Very low176 Ų176124.3 Ų124.377%0.76567%0.668SS**  cis-168.4130.9-3.1-112.6-178.8-173.7179.20106.3
262D36.6Very low33.2Very low133 Ų133129.5 Ų129.571%0.71168%0.68SS**  150.8162.984.7-92.9-24.2000106.2
263V36.1Very low33.7Very low111 Ų111127.4 Ų127.467%0.67368%0.682SS**  cis-168.8161.1-33.8110.50000109.8
264N35.5Very low34.3Very low146 Ų146126 Ų12678%0.78168%0.683SS**  trans84.5154.5166.9-72.8-38000122.8
265T34.8Very low34.8Very low106 Ų106127.7 Ų127.765%0.6569%0.691SS**  -174169.4-50.8-65.80000107.6
266I36.4Very low35.1Very low150 Ų150129 Ų12977%0.76970%0.698SS**  trans81.7137.3162.6-50.2-176.9000116.3
267D35.6Very low35.4Very low139 Ų139132 Ų13274%0.74371%0.711SS**  cis-179.3174.9-30.2-92.4-48.1000107.7
268S36.4Very low35.5Very low77 Ų77132.5 Ų132.554%0.53872%0.723SS.*  cis-174.2169-41.1-170.20000110.8
269F36.4Very low35.8Very low191 Ų191131.3 Ų131.384%0.83873%0.729SS**  trans65.9157.5167-61.5-57.2000120.4
270N35.7Very low36.1Very low141 Ų141134.6 Ų134.675%0.75474%0.739SS**  cis-174.5148-26.1-173.619000112.6
271A37.7Very low36.3Very low76 Ų76135.7 Ų135.763%0.62874%0.736SS**  trans62.6157.6153.400000121.1
272K36.5Very low36.4Very low194 Ų194134.7 Ų134.784%0.84374%0.738SS**  cis-167.5159.3-13.5-114.4-178.9176.5-176.50112.3
273S37.7Very low36.3Very low105 Ų105133.3 Ų133.373%0.73474%0.739SS**  trans70.3155.7151.478.20000119.1
274Q37.6Very low36.4Very low164 Ų164133 Ų13377%0.76674%0.74SS**  cis-167.3162.4-10.2-125.9-178.2-41.600112.1
275I38.6Very low36.4Very low139 Ų139133.7 Ų133.771%0.71374%0.741SS**  trans69.8145.5149.1-72.5162.9000119.2
276D35.8Very low36.3Very low132 Ų132135.9 Ų135.971%0.70674%0.744SS**  cis-172.7174.5-27.9-156.2-7.2000111.6
277M37.4Very low36.2Very low151 Ų151135.1 Ų135.174%0.74474%0.742SS**  trans79.385.2156.8-66.1-176.5-72.400123.7
278T35.9Very low36.1Very low134 Ų134134.8 Ų134.882%0.82274%0.74SS**  25.1136.3121.560.40000124.3
279A36.3Very low36.1Very low91 Ų91134.8 Ų134.875%0.75274%0.74SS**  165.8125.810600000117.5
280K35.9Very low35.8Very low204 Ų204136.2 Ų136.289%0.88774%0.742SS**  trans43.4151.2130.3-74.2-179.9179.3-177.50122.8
281S36.9Very low35.6Very low90 Ų90137.4 Ų137.463%0.62974%0.742SS**  cis-174.9155.64.240.40000115.2
282N35Very low35.4Very low154 Ų154138.3 Ų138.382%0.82474%0.74SS**  trans66.7162.4152.1-61.68000120.3
283S34.9Very low35.1Very low104 Ų104137.6 Ų137.673%0.72774%0.737SS**  cis-172.4154.4-40.954.10000110.6
284P38.4Very low34.8Very low105 Ų105139.5 Ų139.568%0.68274%0.738SS**  trans-104.7176-169.941.1-37.1000116.7
285I33.9Very low34.5Very low160 Ų160135.7 Ų135.782%0.82173%0.73SS**  trans179.1150.9156.8-96.7153.8000110.8
286E33.5Very low34.3Very low152 Ų152139.1 Ų139.171%0.7173%0.734SS**  trans-120.5-168.1-171.5-57.470-142.100111.9
287D34.8Very low34.1Very low135 Ų135142.5 Ų142.572%0.72274%0.738SS**  cis-167.5-179.914.8-177.427.9000111.1
288N34Very low34Very low131 Ų131141.1 Ų141.170%0.70173%0.733SS**  trans78.8148.4165.4-65.3-77.5000120.1
289S34.8Very low33.9Very low78 Ų78141.3 Ų141.355%0.54573%0.725SS.*  cis-169.7160.5-17.956.90000113.5
290Y30Very low33.7Very low221 Ų221141 Ų14187%0.86771%0.708SS**  trans68.8174.1160.1-62.8-54.9000120.5
291H32.6Very low33.7Very low165 Ų165135.8 Ų135.876%0.76469%0.686SS**  cis172.2145.8-37.2178.4-111.3000111
292V32.3Very low33.5Very low95 Ų95137.3 Ų137.358%0.57669%0.688SS**  cis-173.2164.9-28.573.90000111.3
293K32Very low33.4Very low180 Ų180138.5 Ų138.578%0.78368%0.681SS**  trans76.5156.9172-63.9160.3-173.7168.20116.7
294L30.1Very low33.3Very low144 Ų144144 Ų14475%0.75469%0.685SS**  cis-155.8141.4-6.5-146.573.6000109
295S32.5Very low33.1Very low85 Ų85145.9 Ų145.959%0.59469%0.685SS**  159.4144.694-86.70000114.4
296R32.6Very low33Very low211 Ų211143.2 Ų143.280%0.79668%0.68SS**  trans34.7132.2146.1-44.4178.3-153.8172.28120.3
297Y31.8Very low32.8Very low203 Ų203141.3 Ų141.380%0.79668%0.675SS**  -162.3172.368.6-121.5-86.6000115.4
298D35.1Very low32.6Very low121 Ų121143.4 Ų143.465%0.64768%0.678SS**  trans-51.6165.9179.7-70.3-76.1000118.5
299H34.6Very low32.4Very low138 Ų138141.5 Ų141.564%0.63968%0.675SS**  cis-151.2-154.33.5-138.952.3000109.1
300Q32.2Very low32.1Very low85 Ų85145 Ų14540%0.39769%0.687SS.*  cis-149.4163.55.2-175.5154.1-167.700114.2E189 Q190 R191E189-Q300 PolarHBondContact O-NE2 3.01Å; Q190-Q300 VanDerWaalsContact O-CB 3.27Å; Q190-Q300 WeakPolarHBondContact O-CB 3.4Å; Q190-Q300 WeakPolarHBondContact O-CG 3.21Å; Q190-Q300 PolarHBondContact O-NE2 3.06Å; R191-Q300 CarbonylContact C-O 3.46Å
301Q35.1Very low32.2Very low94 Ų94143 Ų14344%0.43969%0.69SS.*  trans-39170.6168.5-54.1-69.3-36.800120.3Q190 R191 S192Q190-Q301 CarbonylContact C-O 3.58Å; R191-Q301 CarbonylContact C-O 3.53Å; R191-Q301 WeakPolarHBondContact CA-O 3.41Å; R191-Q301 PolarHBondContact N-O 3.01Å; R191-Q301 VanDerWaalsContact N-O 3.16Å; S192-Q301 PolarHBondContact N-O 3.05Å
302N33.5Very low32Very low123 Ų123140 Ų14066%0.65869%0.688SS**  cis178.5167.1-33.1-160.6-19.2000110.8
303R32.2Very low31.8Very low179 Ų179139.9 Ų139.968%0.67569%0.691SS**  trans81.8114.1141.7-152.1-160.9-64.2-137.7-0.9121.8
304R33Very low31.6Very low219 Ų219140.8 Ų140.883%0.82669%0.691SS**  149.2149.2121.2-81.2-172.5-166.2-143.13.3112.2
305Q33.6Very low31.4Very low145 Ų145139.6 Ų139.668%0.67869%0.693SS**  cis-174.2137.7-39.6-127175.5-18.300110.6
306S32Very low31.2Very low103 Ų103143.5 Ų143.572%0.7271%0.706SS**  trans68.2167.4162.686.20000116.4
307N30Very low30.9Very low113 Ų113138 Ų13860%0.60470%0.7SS**  cis-161.2143.614.5-131.8-41.5000111.2
308K30.8Very low31Very low179 Ų179134.1 Ų134.178%0.77870%0.702SS**  trans65.5155.5151.1-72.1158.6-172.4176.10118.6
309S30Very low30.8Very low91 Ų91135.8 Ų135.864%0.63671%0.711SS**  cis-168.3156.9-12.946.20000111.7
310N27.9Very low30.5Very low151 Ų151138.1 Ų138.181%0.80772%0.722SS**  trans43.6110.7147.6-57.8-2.4000119.1
311I32.2Very low30.4Very low179 Ų179143 Ų14392%0.91875%0.745SS**  -134.5144119.8-103.6157.4000108.1
312S27.9Very low30.2Very low103 Ų103145.4 Ų145.472%0.7276%0.758SS**  trans-138.2157.2177.9-1790000108.2
313S27.6Very low30Very low91 Ų91145.3 Ų145.364%0.63676%0.757SS**  trans79.7151.8158.4760000119.6
314Y28.3Very low30Very low200 Ų200146.1 Ų146.178%0.78476%0.762SS**  trans77.9109.4169.4-63.4-73.2000120
315C25.7Very low29.8Very low118 Ų118142.7 Ų142.780%0.79776%0.76SS**  trans-51.2153.4154.1-36.10000112.2
316I28.6Very low29.8Very low168 Ų168144.1 Ų144.186%0.86276%0.764SS**  trans-159.5146.9134.8-103.1151.2000107.7
317S27.3Very low29.7Very low96 Ų96146 Ų14667%0.67176%0.761SS**  trans-67.3154.6179.4-43.80000112.5
318S33Very low29.8Very low121 Ų121146.9 Ų146.985%0.84678%0.775SS**  trans-155.293151.5-75.90000109.4Q320S318-Q320 PolarHBondContact O-N 2.75Å
319D30.8Very low29.6Very low155 Ų155146.1 Ų146.183%0.82977%0.774SS**  trans-63.8123.1159.7-48.8-91.2000108.3
320Q29.7Very low29.7Very low188 Ų188150.1 Ų150.188%0.87978%0.78SS**  trans-152.5126154.5-129169.516.300111.7S318 M322S318-Q320 PolarHBondContact O-N 2.75Å; Q320-M322 PolarHBondContact O-N 3.37Å; Q320-M322 VanDerWaalsContact O-N 3.16Å
321E28.4Very low29.8Very low187 Ų187154 Ų15487%0.87478%0.783SS**  trans-68107.1-178.6-60.1161.5112.600110.3N323E321-N323 VanDerWaalsContact C-N 3.27Å; E321-N323 PolarHBondContact O-N 3.4Å
322M32.6Very low29.7Very low145 Ų145154.3 Ų154.371%0.71478%0.781SS**  trans-91.570.6159.9-81.3-66.8-65.100109Q320 Y324Q320-M322 PolarHBondContact O-N 3.37Å; Q320-M322 VanDerWaalsContact O-N 3.16Å; M322-Y324 HydrophobicContact CE-CD2 4.08Å; M322-Y324 HydrophobicContact CE-CE2 3.53Å; M322-Y324 PolarHBondContact O-N 2.98Å; M322-Y324 VanDerWaalsContact O-N 3.16Å
323N29Very low30.2Very low121 Ų121154 Ų15465%0.64778%0.776SS**  trans-59.9113170.8179.5-20000109.1E321 D325E321-N323 VanDerWaalsContact C-N 3.27Å; E321-N323 PolarHBondContact O-N 3.4Å; N323-D325 PolarHBondContact OD1-N 3.09Å
324Y31.1Very low30.2Very low196 Ų196156.6 Ų156.677%0.76978%0.782SS**  trans-109.816.8179.8-112.2-65.7000113.9M322 K326M322-Y324 HydrophobicContact CE-CD2 4.08Å; M322-Y324 HydrophobicContact CE-CE2 3.53Å; M322-Y324 PolarHBondContact O-N 2.98Å; M322-Y324 VanDerWaalsContact O-N 3.16Å; Y324-K326 VanDerWaalsContact C-N 3.28Å; Y324-K326 PolarHBondContact O-N 3.45Å
325D28.5Very low30.3Very low147 Ų147150.1 Ų150.179%0.78678%0.776SS**  trans-74.581.5164.1-79.6-47.6000110.2N323N323-D325 PolarHBondContact OD1-N 3.09Å
326K34.2Very low30.5Very low174 Ų174153.1 Ų153.176%0.75778%0.776SS**  trans-137.383.5163.7-72.9-156.3174.3-170.40114Y324 C328Y324-K326 VanDerWaalsContact C-N 3.28Å; Y324-K326 PolarHBondContact O-N 3.45Å; K326-C328 PolarHBondContact O-N 3.2Å
327E31.1Very low30.8Very low142 Ų142151.8 Ų151.866%0.66477%0.771SS**  48.967.7108.6-163.7-160.2166.800115.1Q329E327-Q329 HydrophobicContact CG-CB 3.94Å; E327-Q329 PolarHBondContact O-N 3.23Å
328C30Very low31Very low133 Ų133153.9 Ų153.990%0.89977%0.774SS**  trans-78.740164.9-149.90000111.6K326 K330K326-C328 PolarHBondContact O-N 3.2Å; C328-K330 PolarHBondContact O-N 3.02Å; C328-K330 VanDerWaalsContact O-N 3.09Å
329Q27.6Very low31.1Very low163 Ų163154.4 Ų154.476%0.76277%0.767SS**  trans-91.467-169.9-147.8166.834.500111.5E327E327-Q329 HydrophobicContact CG-CB 3.94Å; E327-Q329 PolarHBondContact O-N 3.23Å
330K31.4Very low31.1Very low174 Ų174152.2 Ų152.276%0.75776%0.759SS**  trans-155.9121.9172.7-102.5143.1-174.2153.60108.5C328C328-K330 PolarHBondContact O-N 3.02Å; C328-K330 VanDerWaalsContact O-N 3.09Å
331R31.1Very low31.2Very low234 Ų234151.7 Ų151.788%0.88375%0.754SS**  cis-143.9136.715.2-62.1171.9175.1-113.62.4112.2
332Q30.3Very low31.3Very low184 Ų184148.9 Ų148.986%0.8674%0.74SS**  trans-61.9175.6151-79.9-169.73.500111.5
333P37.7Very low31.3Very low96 Ų96150.1 Ų150.162%0.62374%0.742SS**  cis-136.5-169.97.137-15.8000115.3
334L29Very low31.6Very low146 Ų146151.1 Ų151.176%0.76474%0.74SS**  trans43.2123.8143-70.7156.4000119.1
335G30.3Very low31.7Very low64 Ų64148.2 Ų148.266%0.6673%0.734SS**  cis103.6147.47.900000113.5
336K30Very low32.3Very low181 Ų181146.2 Ų146.279%0.78772%0.723SS**  trans85.7161.8-174.2-53.1177.3-176.8-178.50115.9
337D34Very low32.5Very low141 Ų141143.8 Ų143.875%0.75471%0.714SS**  trans68.4132.8168.8-51.7-22.3000116.5
338L32Very low33Very low140 Ų140144.1 Ų144.173%0.73372%0.72SS**  cis-168.9-179.6-18.8-124.6167.5000107.5
339D34.7Very low33.3Very low132 Ų132146.2 Ų146.271%0.70672%0.717SS**  trans64120.7167.4-63.1-50.1000118
340V30Very low33.7Very low108 Ų108146.8 Ų146.866%0.65572%0.72SS**  cis90.6129.445.7168.60000112.8
341K31.4Very low33.9Very low178 Ų178146.2 Ų146.277%0.77472%0.72SS**  trans83.3143.8179.5-64.1150.4-177.1168.10115.3
342E31.8Very low34Very low128 Ų128142.4 Ų142.460%0.59871%0.712SS**  cis-156.1148.4-3.4-125.4166.6118.200112.3
343K31.9Very low34Very low170 Ų170141.8 Ų141.874%0.73970%0.702SS**  trans46.4147.2143.8-73.3165.3-171.7160.10119.8
344K34.7Very low33.6Very low142 Ų142144.8 Ų144.862%0.61771%0.707SS**  cis-153.8148.913.9-145.6166.1169.4-68.10105.9D346K344-D346 IonicContact NZ-OD1 3.8Å; K344-D346 PolarHBondContact NZ-OD1 2.65Å; K344-D346 IonicContact NZ-OD2 3.93Å; K344-D346 PolarHBondContact NZ-OD2 2.89Å
345H35.3Very low33.6Very low136 Ų136141.1 Ų141.163%0.6371%0.705SS**  47136.167.2-84-103.6000111.7E347H345-E347 IonicContact CE1-OE1 2.7Å; H345-E347 PolarHBondContact CE1-OE1 2.9Å; H345-E347 IonicContact CE1-OE2 3.1Å; H345-E347 IonicContact CG-OE2 3.63Å; H345-E347 IonicContact ND1-OE1 2.57Å; H345-E347 PolarHBondContact ND1-OE1 3.16Å; H345-E347 VanDerWaalsContact ND1-OE1 3.1Å; H345-E347 IonicContact ND1-OE2 3.1Å; H345-E347 PolarHBondContact ND1-OE2 3.39Å
346D40Very low33.4Very low105 Ų105144.1 Ų144.156%0.56171%0.71SS**  cis-131.8148.738.5-51-59.6000108.9K344K344-D346 IonicContact NZ-OD1 3.8Å; K344-D346 PolarHBondContact NZ-OD1 2.65Å; K344-D346 IonicContact NZ-OD2 3.93Å; K344-D346 PolarHBondContact NZ-OD2 2.89Å
347E37.8Very low33.2Very low123 Ų123142.1 Ų142.158%0.57570%0.704SS**  64.3156.465.5-64.7157.7151.300112.7H345H345-E347 IonicContact CE1-OE1 2.7Å; H345-E347 PolarHBondContact CE1-OE1 2.9Å; H345-E347 IonicContact CE1-OE2 3.1Å; H345-E347 IonicContact CG-OE2 3.63Å; H345-E347 IonicContact ND1-OE1 2.57Å; H345-E347 PolarHBondContact ND1-OE1 3.16Å; H345-E347 VanDerWaalsContact ND1-OE1 3.1Å; H345-E347 IonicContact ND1-OE2 3.1Å; H345-E347 PolarHBondContact ND1-OE2 3.39Å
348D41.4Very low33Very low148 Ų148142.8 Ų142.879%0.79170%0.697SS**  cis-105.1-173.22-45.1-72000110.4
349E37.7Very low32.9Very low178 Ų178143.9 Ų143.983%0.83270%0.695SS**  cis73144.515-50.3-164139.100115.1
350E35.9Very low32.5Very low174 Ų174143.1 Ų143.181%0.81369%0.692SS**  cis-127.8167.211.4-68.5165.6116.400110.2
351E36.1Very low32.5Very low163 Ų163144 Ų14476%0.76269%0.693SS**  66.2166.959.4-127-155.9131.100117.1
352E32.4Very low32.5Very low154 Ų154141 Ų14172%0.7269%0.693SS**  trans68.5146.6178.9-60.5-138.5136.700118.3
353R29.4Very low32.6Very low171 Ų171141.4 Ų141.465%0.64570%0.698SS**  cis-171.5-173.9-32.5-120.9167.5-167.8-102.62.6108.3
354E29.2Very low32.9Very low158 Ų158140.9 Ų140.974%0.73870%0.703SS**  trans18.6123.5147.5-64.4159.9-137.800118.1
355G28.7Very low33.1Very low69 Ų69137.8 Ų137.871%0.71171%0.711SS**  cis137.4-175.513.800000110.5
356V27.2Very low33.3Very low128 Ų128134.7 Ų134.778%0.77672%0.716SS**  trans56.488.9157.7-166.70000117.8
357E26.3Very low33.2Very low139 Ų139136.9 Ų136.965%0.6573%0.728SS**  75.9167.2127.4-142.8178.1174.100119.9
358Y28.2Very low33.4Very low154 Ų154134.6 Ų134.660%0.60473%0.73SS**  trans6696.8165.7-68.8-60000122
359K29.8Very low33.3Very low163 Ų163134 Ų13471%0.70973%0.727SS**  71129.2115.1-82.2-178.6-168.7149.20121.4
360N27.6Very low33.4Very low117 Ų117128.5 Ų128.563%0.62672%0.718SS**  88121.9124.9-80.146.4000121.6
361D30.7Very low33.8Very low126 Ų126127 Ų12767%0.67472%0.716SS**  trans79.6147.7130.3-53.6-18000120.7
362C31.1Very low34.3Very low115 Ų115125 Ų12578%0.77771%0.714SS**  trans80.7140.4164.3-58.30000119
363I33.4Very low34.9Very low137 Ų137124.8 Ų124.870%0.70372%0.718SS**  cis-170.7164.2-32.8-119.3162000108.7
364D38.8Very low35.6Very low159 Ų159123.4 Ų123.485%0.8572%0.724SS**  trans63.3146.1176.1-65.8-31.9000116.9
365G37.7Very low36.4Very low77 Ų77121.8 Ų121.879%0.79472%0.724SS**  cis153.7137.2-4.600000110.5
366G39.8Very low36.8Very low71 Ų71125.5 Ų125.573%0.73273%0.727SS**  cis-176.9-170.3-7.500000111.4
367N37.5Very low37.5Very low150 Ų150123.3 Ų123.380%0.80273%0.731SS**  trans61.5141.6143.6-125.336.5000120.3N369N367-N369 PolarHBondContact OD1-OD1 2.99Å
368A42.2Very low38Very low75 Ų75121.4 Ų121.462%0.6273%0.729SS**  cis-154.5137.520.500000115.8
369N39Very low38.3Very low136 Ų136120.5 Ų120.573%0.72773%0.734SS**  62.3152.7129.9-54.16.7000123.6N367N367-N369 PolarHBondContact OD1-OD1 2.99Å
370G41.1Very low38.4Very low63 Ų63119.7 Ų119.765%0.64974%0.737SS**  trans103.378.2-178.700000112.1
371D43.4Very low38.9Very low143 Ų143119.2 Ų119.277%0.76574%0.739SS**  63.7131.460.2-44.2-53.1000110.8
372V47.1Very low39Very low119 Ų119118.9 Ų118.972%0.72174%0.737SS**  cis-152.8150.131.7176.60000111.1
373D44.2Very low39.3Very low150 Ų150122.9 Ų122.980%0.80274%0.736SS**  trans8.6166.8155.2-31.9-28.3000121.7
374D45.6Very low39.2Very low143 Ų143123.5 Ų123.577%0.76574%0.741SS**  cis-157.6-177.52.5-153.314.2000105.9
375V45.3Very low39Very low123 Ų123123.2 Ų123.275%0.74574%0.737SS**  cis-148.1154.58.8-1570000108.9
376D37Very low38.9Very low147 Ų147124.6 Ų124.679%0.78673%0.73SS**  trans-86.4154.2168.5-107.7-53.5000114V378D376-V378 HydrophobicContact CB-CG2 4.17Å
377G42.1Very low38.6Very low82 Ų82128.3 Ų128.385%0.84573%0.733SS**  trans-140.751.6-173.700000115.3
378V37.6Very low38.6Very low100 Ų100124.8 Ų124.861%0.60673%0.726SS**  trans-88157.6-161.5-138.50000115.8D376D376-V378 HydrophobicContact CB-CG2 4.17Å
379N34.5Very low38.5Very low135 Ų135127.1 Ų127.172%0.72273%0.728SS**  trans86.2103.7144.7-75.4-43.6000122.9
380N32.1Very low38.7Very low145 Ų145126.1 Ų126.178%0.77572%0.722SS**  79.7168.4105-15911.3000120
381V37.4Very low38.8Very low107 Ų107129.3 Ų129.365%0.64872%0.724SS**  trans88.281161.5-165.60000118.6
382D32.6Very low38.8Very low120 Ų120129.2 Ų129.264%0.64272%0.724SS**  85.2143117.4-121.5-2.8000123.6
383R36.7Very low38.8Very low198 Ų198130.2 Ų130.275%0.74773%0.725SS**  trans73.5108.1152.5-64.1161.4-142.7161.413.2122
384N31.3Very low38.9Very low151 Ų151130.4 Ų130.481%0.80773%0.726SS**  28.4120.1110.5-84.6-9.4000118.4
385I34.9Very low39.1Very low153 Ų153127.5 Ų127.579%0.78572%0.722SS**  -178117.7110-96158.5000113
386T35.1Very low39.2Very low105 Ų105128.3 Ų128.364%0.64472%0.722SS**  trans51.7131.7148.566.20000123.7
387N34.3Very low39.9Very low149 Ų149128 Ų12880%0.79772%0.72SS**  56.3129.5124.2-52.419.3000117.8
388A37.9Very low40.1Very low77 Ų77130.8 Ų130.864%0.63672%0.716SS**  139.7163.463.400000106
389D40.4Very low40.6Very low124 Ų124133 Ų13366%0.66373%0.725SS**  cis-160.6132.5-10.8-102.3-14.4000108.9
390N42.9Very low41.1Very low114 Ų114132.8 Ų132.861%0.6172%0.723SS**  trans61.3170.3132.9-47.6-25.2000122.8
391N41.7Very low41.5Very low130 Ų130133.6 Ų133.670%0.69573%0.727SS**  trans78.3100.4167.7-29.8-80000112.2
392D44.5Very low41.6Very low141 Ų141134.2 Ų134.275%0.75473%0.727SS**  cis65.9170.333.2-39.9-68.7000114
393D46.7Very low41.6Very low141 Ų141135.9 Ų135.975%0.75474%0.736SS**  trans70.5127.5-169-49.1-13000113.1
394D46.9Very low41.5Very low154 Ų154129.6 Ų129.682%0.82473%0.733SS**  cis130.9172.19.1-99.3-19000107.3
395A49.5Very low41.6Very low81 Ų81129.8 Ų129.867%0.66973%0.734SS**  trans69.9151.6177.100000115.8
396D48.3Very low41.5Very low141 Ų141128.8 Ų128.875%0.75473%0.73SS**  cis-162.2-160.1-23.5-101.6-32.2000105.5
397D51.3Low41.6Very low139 Ų139129.4 Ų129.474%0.74373%0.73SS**  trans66.1110157.7-53.9-24.3000116
398D46.4Very low41.5Very low141 Ų141128.6 Ų128.675%0.75473%0.725SS**  79.6149.975.5-81.3-18.3000113.3
399D46.9Very low41.4Very low148 Ų148128.9 Ų128.979%0.79172%0.723SS**  trans64.1152.2170.8-55.3-21.8000117.1
400D44.9Very low41.1Very low130 Ų130132.3 Ų132.370%0.69573%0.728SS**  cis-149.9160.9-16.8-139.6-18.2000110.1N402D400-N402 PolarHBondContact O-N 3.04Å
401D41.8Very low40.8Very low161 Ų161132.4 Ų132.486%0.86173%0.728SS**  trans-79.699.2164-93.5-48000108.8
402N38.2Very low40.4Very low121 Ų121132.6 Ų132.665%0.64773%0.727SS**  trans-150.9140.5166.7-91.6-61.1000115.1D400D400-N402 PolarHBondContact O-N 3.04Å
403D33.1Very low39.9Very low155 Ų155131.4 Ų131.483%0.82972%0.721SS**  trans-1.9138.1134-52.7-14.3000116
404G35.2Very low39.2Very low66 Ų66131.6 Ų131.668%0.6872%0.717SS**  cis147.917514.300000109.1
405D33.5Very low38.6Very low155 Ų155130.4 Ų130.483%0.82971%0.707SS**  trans42.3133.4166.6-61.9-18.2000121.1
406N32.9Very low37.7Very low132 Ų132131.6 Ų131.671%0.70671%0.706SS**  trans67.4163.4152.8-80.423.2000118.4
407D35.9Very low37Very low118 Ų118131.9 Ų131.963%0.63171%0.707SS**  cis-130.4126.4-10.2-107-48.1000107.1
408N33Very low35.9Very low131 Ų131133.5 Ų133.570%0.70171%0.71SS**  64.714794.3-87.9-52.1000117.2
409S36Very low35.2Very low84 Ų84135.5 Ų135.559%0.58771%0.714SS**  trans67148.8166.4740000115.6
410Y33.8Very low34.2Very low196 Ų196138.3 Ų138.377%0.76972%0.715SS**SBendcis-127.8150.811.2-86.3-107.1000109.5
411L36.2Very low33.4Very low116 Ų116138 Ų13861%0.60772%0.723SS**  cis-166.3177.5-18-140.665.6000104.2
412I34.3Very low32.6Very low134 Ų134137 Ų13769%0.68772%0.723SS**  cis-155.6128.915.7-174.7163.6000111.1
413D33Very low32.3Very low116 Ų116136.3 Ų136.362%0.6273%0.728SS**  trans25.1147.3132.5-67.80.9000121.1
414Q32.9Very low32Very low145 Ų145138 Ų13868%0.67873%0.728SS**  cis-169.716914-121.6173.258.900108.8
415Q32.8Very low32Very low129 Ų129140.9 Ų140.960%0.60374%0.735SS**  cis-162.7134.92.5-173.368103.800110.1
416T32.1Very low31.9Very low106 Ų106139.4 Ų139.465%0.6573%0.732SS**  trans67.3155.3153.852.40000121.3
417N32.5Very low31.6Very low146 Ų146141.3 Ų141.378%0.78174%0.741SS**  cis-146.7145.91.1-127.5-29.6000113.4
418H28.8Very low31.4Very low173 Ų173141.6 Ų141.680%0.80175%0.747SS**  trans-91.3158.5170.6-75-85.2000111.9
419H32.1Very low31.4Very low183 Ų183140.5 Ų140.585%0.84775%0.75SS**  -164.1155.5120.8-118.4-84.6000114.1
420Y24.8Very low31.4Very low208 Ų208142.2 Ų142.282%0.81675%0.753SS**  trans-65.5144.4-179.9-83.8-116.4000114.6
421S28.9Very low31.4Very low122 Ų122137.6 Ų137.685%0.85375%0.749SS**  -169.5151.9123.3-85.10000113.6
422T25.3Very low31.4Very low140 Ų140138.4 Ų138.486%0.85975%0.753SS**  trans-88.7126.4-178.150.10000113.2
423S31.3Very low31.6Very low108 Ų108135.5 Ų135.576%0.75575%0.745SS**  trans-157.2123.816457.60000114.5
424F27.5Very low32.1Very low189 Ų189136 Ų13683%0.82975%0.747SS**  trans3.2127.6158.9-57.2-91.1000120.6
425P33.7Very low32.1Very low127 Ų127132.7 Ų132.783%0.82574%0.739SS**PPolyproline II helixtrans-76.9133.1134.132.6-29.7000110.1
426T32.2Very low32.8Very low124 Ų124131.2 Ų131.276%0.76173%0.734SS**PPolyproline II helixtrans-71.7143.8-177.1-60.10000112.6T428T426-T428 PolarHBondContact O-N 3.12Å
427L26.5Very low33.8Very low173 Ų173130 Ų13091%0.90673%0.73SS**PPolyproline II helixtrans-60.9120.6174.2-71.2163.2000112.4
428T32.6Very low34.7Very low123 Ų123126.9 Ų126.976%0.75572%0.718SS**  trans-120.1167.2159.355.60000110.4T426 D430T426-T428 PolarHBondContact O-N 3.12Å; T428-D430 PolarHBondContact O-N 3.28Å
429S31.4Very low35.4Very low108 Ų108125.6 Ų125.676%0.75571%0.714SS**THydrogen-bonded Turntrans-88.310.8-139.141.80000118.2
430D35.7Very low36.6Very low121 Ų121122.5 Ų122.565%0.64770%0.703SS**THydrogen-bonded Turntrans-106.5-7-158.5-62.4-73.3000116.5T428 S433T428-D430 PolarHBondContact O-N 3.28Å; D430-S433 PolarHBondContact O-OG 3.04Å
431S35.1Very low38Very low98 Ų98115.2 Ų115.269%0.68569%0.686SS**THydrogen-bonded Turntrans-85.2-2.9-177.6-72.90000116
432L35.3Very low38.8Very low134 Ų134112.3 Ų112.370%0.70267%0.669SS**Hα-helixtrans-84.4-18.8-178.3-84167.3000114.5I436L432-I436 VanDerWaalsContact O-CD1 3.29Å; L432-I436 WeakPolarHBondContact O-CD1 3.23Å; L432-I436 VanDerWaalsContact O-CG1 3.3Å; L432-I436 WeakPolarHBondContact O-CG1 3.26Å
433S38.2Very low39.9Very low73 Ų73108.2 Ų108.251%0.5165%0.65SS.*Hα-helixtrans-69.7-44.517653.50000112.3D430D430-S433 PolarHBondContact O-OG 3.04Å
434N43.6Very low41Very low127 Ų127105.4 Ų105.468%0.67963%0.633SS**Hα-helixtrans-81.7-22.9-170.7-70.8-27.4000114.2P438N434-P438 WeakPolarHBondContact O-CD 3.48Å
435C34.7Very low42.3Very low75 Ų75102.4 Ų102.451%0.50762%0.623SS.*Hα-helixtrans-83.5-25.9176.9-67.70000113.5P438 M439C435-P438 WeakPolarHBondContact O-CD 3.49Å; C435-P438 WeakPolarHBondContact O-CG 3.25Å; C435-M439 PolarHBondContact O-N 3.28Å
436I46.8Very low42.9Very low97 Ų9798.6 Ų98.650%0.49760%0.603SS.*Hα-helixtrans-69-38.4178.2-69.7172.1000110.9L432 M439 L440L432-I436 VanDerWaalsContact O-CD1 3.29Å; L432-I436 WeakPolarHBondContact O-CD1 3.23Å; L432-I436 VanDerWaalsContact O-CG1 3.3Å; L432-I436 WeakPolarHBondContact O-CG1 3.26Å; I436-M439 PolarHBondContact O-N 3.1Å; I436-L440 HydrophobicContact CG2-CB 4.43Å; I436-L440 WeakPolarHBondContact O-CB 3.05Å; I436-L440 PolarHBondContact O-N 3.22Å
437S53.3Low43.7Very low81 Ų8195 Ų9557%0.56659%0.585SS**Hα-helixtrans-55.4-54.2179.3-65.60000114.3A441S437-A441 VanDerWaalsContact O-CB 3.25Å; S437-A441 WeakPolarHBondContact O-CB 3.49Å; S437-A441 PolarHBondContact O-N 3.46Å
438P50.9Low44.7Very low80 Ų8092.7 Ų92.752%0.51957%0.573SS.*Hα-helixtrans-70-33.5176.627.3-34.5000113.2N434 C435 A442N434-P438 WeakPolarHBondContact O-CD 3.48Å; C435-P438 WeakPolarHBondContact O-CD 3.49Å; C435-P438 WeakPolarHBondContact O-CG 3.25Å; P438-A442 WeakPolarHBondContact O-CB 3.43Å; P438-A442 PolarHBondContact O-N 2.88Å
439M44.7Very low45.7Very low146 Ų14690.7 Ų90.772%0.71956%0.561SS**Hα-helixtrans-69.6-37.8175.1-75.8-167.597.100112.6C435 I436 A442 A443C435-M439 PolarHBondContact O-N 3.28Å; I436-M439 PolarHBondContact O-N 3.1Å; M439-A442 PolarHBondContact O-N 2.93Å; M439-A443 VanDerWaalsContact O-CB 3.26Å; M439-A443 WeakPolarHBondContact O-CB 3.47Å; M439-A443 PolarHBondContact O-N 3.04Å
440L56.1Low46.3Very low118 Ų11890.3 Ų90.362%0.61855%0.554SS**Hα-helixtrans-73.7-35.6176.7-171.962.9000111.1I436 A443 A444I436-L440 HydrophobicContact CG2-CB 4.43Å; I436-L440 WeakPolarHBondContact O-CB 3.05Å; I436-L440 PolarHBondContact O-N 3.22Å; L440-A443 PolarHBondContact O-N 3.27Å; L440-A444 VanDerWaalsContact O-CB 3.24Å; L440-A444 WeakPolarHBondContact O-CB 3.41Å; L440-A444 PolarHBondContact O-N 2.78Å
441A54.1Low46.3Very low56 Ų5687.3 Ų87.346%0.46355%0.551SS.*Hα-helixtrans-64.4-41.8168.900000111.8S437 A444 M445S437-A441 VanDerWaalsContact O-CB 3.25Å; S437-A441 WeakPolarHBondContact O-CB 3.49Å; S437-A441 PolarHBondContact O-N 3.46Å; A441-A444 PolarHBondContact O-N 3.45Å; A441-M445 WeakPolarHBondContact O-CB 3.49Å; A441-M445 VanDerWaalsContact O-CG 3.26Å; A441-M445 WeakPolarHBondContact O-CG 3.41Å; A441-M445 PolarHBondContact O-N 3.39Å
442A46.4Very low46.2Very low60 Ų6084.8 Ų84.850%0.49653%0.533SS..Hα-helixtrans-66.7-37.5174.500000112.3P438 M439 M445 A446P438-A442 WeakPolarHBondContact O-CB 3.43Å; P438-A442 PolarHBondContact O-N 2.88Å; M439-A442 PolarHBondContact O-N 2.93Å; A442-M445 PolarHBondContact O-N 3.34Å; A442-A446 VanDerWaalsContact O-CB 3.29Å; A442-A446 WeakPolarHBondContact O-CB 3.3Å; A442-A446 PolarHBondContact O-N 2.92Å
443A48.8Very low46.1Very low54 Ų5486.8 Ų86.845%0.44654%0.537SS..Hα-helixtrans-69.9-38.5174.700000112.1M439 L440 A446 A447M439-A443 VanDerWaalsContact O-CB 3.26Å; M439-A443 WeakPolarHBondContact O-CB 3.47Å; M439-A443 PolarHBondContact O-N 3.04Å; L440-A443 PolarHBondContact O-N 3.27Å; A443-A446 WeakPolarHBondContact O-CB 3.49Å; A443-A446 PolarHBondContact O-N 3.47Å; A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 2.89Å
444A53.5Low45.8Very low50 Ų5087.3 Ų87.341%0.41354%0.539SS..Hα-helixtrans-65.1-44.1171.900000111.2L440 A441 A446 A447 L448L440-A444 VanDerWaalsContact O-CB 3.24Å; L440-A444 WeakPolarHBondContact O-CB 3.41Å; L440-A444 PolarHBondContact O-N 2.78Å; A441-A444 PolarHBondContact O-N 3.45Å; A444-A446 VanDerWaalsContact C-N 3.31Å; A444-A446 PolarHBondContact O-N 2.75Å; A444-A447 PolarHBondContact O-N 3.48Å; A444-L448 WeakPolarHBondContact O-CB 3.4Å; A444-L448 VanDerWaalsContact O-CG 3.24Å; A444-L448 WeakPolarHBondContact O-CG 3.24Å; A444-L448 PolarHBondContact O-N 3.49Å
445M55.5Low45.5Very low126 Ų12686.7 Ų86.762%0.62154%0.54SS*.Hα-helixtrans-63.5-34.7172.4-74.7-68.7-15800112.3A441 A442 L448 T449A441-M445 WeakPolarHBondContact O-CB 3.49Å; A441-M445 VanDerWaalsContact O-CG 3.26Å; A441-M445 WeakPolarHBondContact O-CG 3.41Å; A441-M445 PolarHBondContact O-N 3.39Å; A442-M445 PolarHBondContact O-N 3.34Å; M445-L448 PolarHBondContact O-N 2.77Å; M445-T449 WeakPolarHBondContact O-CB 3.31Å; M445-T449 WeakPolarHBondContact O-CG2 3.38Å; M445-T449 PolarHBondContact O-N 3.28Å; M445-T449 PolarHBondContact O-OG1 2.81Å
446A46.5Very low45.2Very low47 Ų4788.9 Ų88.939%0.38856%0.555SS.*Hα-helixtrans-65.9-45172.600000111.4A442 A443 A444 L448 T449 T450A442-A446 VanDerWaalsContact O-CB 3.29Å; A442-A446 WeakPolarHBondContact O-CB 3.3Å; A442-A446 PolarHBondContact O-N 2.92Å; A443-A446 WeakPolarHBondContact O-CB 3.49Å; A443-A446 PolarHBondContact O-N 3.47Å; A444-A446 VanDerWaalsContact C-N 3.31Å; A444-A446 PolarHBondContact O-N 2.75Å; A446-L448 VanDerWaalsContact C-N 3.33Å; A446-L448 PolarHBondContact O-N 3.44Å; A446-T449 WeakPolarHBondContact CA-OG1 3.46Å; A446-T449 CarbonylContact O-C 3.59Å; A446-T449 PolarHBondContact O-N 3.04Å; A446-T449 PolarHBondContact O-OG1 3.47Å; A446-T450 PolarHBondContact O-N 3.36Å; A446-T450 PolarHBondContact O-OG1 3.35Å
447A48.6Very low44.4Very low47 Ų4788.2 Ų88.239%0.38856%0.559SS.*Hα-helixtrans-64.6-34.817500000112.7A443 A444 T450A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 2.89Å; A444-A447 PolarHBondContact O-N 3.48Å; A447-T450 CarbonylContact O-C 3.46Å
448L47.5Very low43.4Very low126 Ų12690.1 Ų90.166%0.6656%0.562SS**Hα-helixtrans-73.6-24.6173.8-70.4168.4000113.1A444 M445 A446A444-L448 WeakPolarHBondContact O-CB 3.4Å; A444-L448 VanDerWaalsContact O-CG 3.24Å; A444-L448 WeakPolarHBondContact O-CG 3.24Å; A444-L448 PolarHBondContact O-N 3.49Å; M445-L448 PolarHBondContact O-N 2.77Å; A446-L448 VanDerWaalsContact C-N 3.33Å; A446-L448 PolarHBondContact O-N 3.44Å
449T52.2Low42.4Very low81 Ų8195.1 Ų95.150%0.49758%0.579SS.*Hα-helixtrans-96.8-7.4176.453.20000114.2Q12 M445 A446Q12-T449 PolarHBondContact NE2-O 3.16Å; M445-T449 WeakPolarHBondContact O-CB 3.31Å; M445-T449 WeakPolarHBondContact O-CG2 3.38Å; M445-T449 PolarHBondContact O-N 3.28Å; M445-T449 PolarHBondContact O-OG1 2.81Å; A446-T449 WeakPolarHBondContact CA-OG1 3.46Å; A446-T449 CarbonylContact O-C 3.59Å; A446-T449 PolarHBondContact O-N 3.04Å; A446-T449 PolarHBondContact O-OG1 3.47Å
450T45.5Very low41.6Very low99 Ų9996 Ų9661%0.60759%0.586SS**SBendtrans-117.964.4169.453.80000109.6A446 A447A446-T450 PolarHBondContact O-N 3.36Å; A446-T450 PolarHBondContact O-OG1 3.35Å; A447-T450 CarbonylContact O-C 3.46Å
451G36.1Very low40.4Very low58 Ų5894.2 Ų94.260%0.59858%0.583SS**  trans-66131.5-155.300000117.2
452C32.7Very low39.2Very low45 Ų4597.5 Ų97.530%0.30459%0.589SS.*  trans-154.191.4146-99.50000110.9F1514C452-F1514 PolarHBondContact SG-N 3.28Å; C452-F1514 PolarHBondContact SG-O 3.21Å
453F32.3Very low38.6Very low177 Ų177100 Ų10078%0.77659%0.593SS**  trans-139.5127.3163.9-97.9-79.4000110.1
454P33.1Very low37.7Very low84 Ų84104.1 Ų104.155%0.54561%0.608SS.*  trans-97.4115.2-178.534.4-30000112.2
455T36.6Very low36.6Very low114 Ų114107.1 Ų107.170%0.69961%0.609SS**  trans-143.360.2171.5-37.80000113.6C457T455-C457 HydrophobicContact CG2-CB 4.03Å; T455-C457 PolarHBondContact O-N 2.96Å; T455-C457 VanDerWaalsContact O-N 3.1Å
456S28.8Very low35.3Very low120 Ų120105.5 Ų105.584%0.83961%0.61SS**  trans-80.155.9159.657.10000111.1
457C30.1Very low34.6Very low84 Ų84110 Ų11057%0.56863%0.627SS**  trans-104.864.4-178.7-68.40000111.8T455T455-C457 HydrophobicContact CG2-CB 4.03Å; T455-C457 PolarHBondContact O-N 2.96Å; T455-C457 VanDerWaalsContact O-N 3.1Å
458N31.4Very low34Very low120 Ų120112.5 Ų112.564%0.64263%0.633SS**SBendtrans-15948.8159.9-111.3-72.6000111N695N458-N695 PolarHBondContact OD1-ND2 3Å
459Q29.3Very low33.2Very low185 Ų185111.2 Ų111.286%0.86464%0.635SS**SBendtrans-143.659.4167.3-84.1-140.146.900110.8
460L29.2Very low32.4Very low166 Ų166115 Ų11587%0.86964%0.644SS**  trans-154.445.1162.9-146.774.8000113.6
461S30.3Very low31.8Very low79 Ų79114.1 Ų114.155%0.55264%0.642SS**SBendtrans-128.623.5170.369.80000112.9
462Q30Very low31.6Very low125 Ų125122.1 Ų122.158%0.58466%0.656SS**  trans-145.577172.2-82.6-149.485.800111.2G691Q462-G691 PolarHBondContact NE2-O 2.99Å
463L33.4Very low31.7Very low114 Ų114123.1 Ų123.160%0.59767%0.674SS**  trans-126.8111.6148.9-80.3178.7000108.5Y465 F897L463-Y465 PolarHBondContact O-N 3.46Å; L463-F897 HydrophobicContact CB-CE2 3.6Å; L463-F897 HydrophobicContact CB-CZ 3.69Å; L463-F897 HydrophobicContact CD1-CE2 3.95Å; L463-F897 HydrophobicContact CG-CE2 4.43Å; L463-F897 WeakPolarHBondContact O-CZ 3.35Å
464N29.2Very low31.8Very low140 Ų140122.1 Ų122.175%0.74968%0.675SS**  trans-64123171.8-104-60.1000110.3
465Y30.3Very low31.9Very low113 Ų113123 Ų12344%0.44368%0.683SS.*  trans-147.597.8146.4-83.6-79.7000111.1L463 N895 F897 L898L463-Y465 PolarHBondContact O-N 3.46Å; Y465-N895 PolarHBondContact OH-ND2 2.88Å; Y465-F897 HydrophobicContact CD1-CB 4.46Å; Y465-F897 HydrophobicContact CD2-CB 3.4Å; Y465-F897 AromaticContact CD2-CD1 3.64Å; Y465-F897 HydrophobicContact CD2-CD1 3.64Å; Y465-F897 AromaticContact CD2-CD2 3.36Å; Y465-F897 HydrophobicContact CD2-CD2 3.36Å; Y465-F897 HydrophobicContact CD2-CE1 4.13Å; Y465-F897 AromaticContact CD2-CE2 3.91Å; Y465-F897 HydrophobicContact CD2-CE2 3.91Å; Y465-F897 AromaticContact CD2-CG 3.18Å; Y465-F897 HydrophobicContact CD2-CG 3.18Å; Y465-F897 HydrophobicContact CD2-CZ 4.25Å; Y465-F897 HydrophobicContact CE2-CB 3.89Å; Y465-F897 AromaticContact CE2-CD2 3.74Å; Y465-F897 HydrophobicContact CE2-CD2 3.74Å; Y465-F897 HydrophobicContact CE2-CE2 4.41Å; Y465-F897 AromaticContact CE2-CG 3.9Å; Y465-F897 HydrophobicContact CE2-CG 3.9Å; Y465-F897 HydrophobicContact CG-CB 3.73Å; Y465-F897 AromaticContact CG-CD1 3.95Å; Y465-F897 HydrophobicContact CG-CD1 3.95Å; Y465-F897 HydrophobicContact CG-CD2 4.39Å; Y465-F897 AromaticContact CG-CG 3.8Å; Y465-F897 HydrophobicContact CG-CG 3.8Å; Y465-L898 HydrophobicContact CD1-CD1 3.48Å; Y465-L898 VanDerWaalsContact CD1-CD1 3.48Å; Y465-L898 HydrophobicContact CD1-CG 4.26Å; Y465-L898 HydrophobicContact CE1-CD1 4.25Å; Y465-L898 HydrophobicContact CG-CD1 4.07Å; Y465-L898 HydrophobicContact CG-CG 4.39Å
466S27.9Very low31.7Very low92 Ų92125.1 Ų125.164%0.64369%0.685SS**  trans-66.5171.5141.9-72.30000110
467L33.1Very low32Very low141 Ų141126.4 Ų126.474%0.73868%0.682SS**  trans90.462.5167.6-50.3176.8000119.3L898L467-L898 HydrophobicContact CB-CD1 4.36Å; L467-L898 VanDerWaalsContact O-CD1 3.25Å; L467-L898 WeakPolarHBondContact O-CD1 3.49Å
468L34.5Very low32.5Very low100 Ų100127 Ų12752%0.52469%0.687SS.*  -165.7130.5121.1-129.666.5000114T899 M900L468-T899 HydrophobicContact CB-CG2 4.02Å; L468-T899 HydrophobicContact CD2-CG2 4.17Å; L468-M900 HydrophobicContact CD2-CG 3.72Å; L468-M900 HydrophobicContact CD2-SD 4.14Å
469S32.2Very low32.7Very low98 Ų98127 Ų12769%0.68569%0.694SS**  trans-99.9166.2171.1-43.80000111.3
470K34.6Very low33.4Very low162 Ų162123.8 Ų123.870%0.70469%0.689SS**  trans81.7140.1176.4-48.5158.4-175172.30112.2
471S33.5Very low34.1Very low80 Ų80121.7 Ų121.756%0.55969%0.685SS**  cis-154.3127.29.1178.20000113.4
472Y31.3Very low35.1Very low225 Ų225123.9 Ų123.988%0.88270%0.695SS**  trans44.7133.6151-75-93.5000123.5
473G34.6Very low35.6Very low66 Ų66124 Ų12468%0.6871%0.707SS**  trans119.7106.2163.900000113
474I34.5Very low35.9Very low157 Ų157126.7 Ų126.781%0.80572%0.721SS**  cis62.111440.6-51.1179.6000110
475S34.5Very low36.8Very low103 Ų103129.1 Ų129.172%0.7273%0.727SS**  cis-149179.215.9-96.70000110.5
476Q33.2Very low38Very low157 Ų157128.7 Ų128.773%0.73474%0.739SS**  cis171.2177.3-34.1-152.5-151.198.200106.7
477L34.1Very low39.1Very low148 Ų148129.9 Ų129.978%0.77574%0.744SS**  trans76.5132.4172-51.5155.1000116.1
478S40.8Very low40.1Very low96 Ų96129.1 Ų129.167%0.67175%0.747SS**  cis-164147.8-12.1-82.30000111.5
479P35.9Very low41Very low121 Ų121130 Ų13079%0.78676%0.759SS**  trans-112.3160.4144.836.3-29.1000112.1
480P44.8Very low41.7Very low117 Ų117131.1 Ų131.176%0.7676%0.764SS**  trans-104.8-162.3-174.946.9-39000111.5
481P42.7Very low42Very low121 Ų121128.7 Ų128.779%0.78677%0.765SS**  -122.8155.1-107.130.8-9.9000115.9
482T51.2Low42.1Very low126 Ų126133.5 Ų133.577%0.77378%0.783SS**  trans-120.4136.4175.2-38.50000111
483P42.3Very low42.4Very low128 Ų128128.1 Ų128.183%0.83177%0.774SS**  trans-66.8141.7174.7-19.432.8000112.5
484L39.8Very low42.6Very low169 Ų169133.3 Ų133.389%0.88579%0.785SS**  trans-113.3135-178.5-77.3164.6000111.7
485H46.9Very low42.9Very low191 Ų191134 Ų13488%0.88479%0.785SS**  trans-141.8141153.5-137.2-122.4000110.4
486P56.2Low43.5Very low105 Ų105134.1 Ų134.168%0.68278%0.783SS**  trans-111.2159.2-157.340.2-34.1000115.9
487P51.5Low44.3Very low117 Ų117131.8 Ų131.876%0.7678%0.782SS**  trans-80.4161.7168.733.9-35.3000113.5
488P52.9Low44.7Very low124 Ų124130.5 Ų130.581%0.80578%0.78SS**  trans-91.8158-172.135.9-36.5000115.7
489P54.3Low44.8Very low118 Ų118133.1 Ų133.177%0.76679%0.786SS**  trans-105.1162.4178.339.6-34.6000115.2
490P47.4Very low45.2Very low122 Ų122132.4 Ų132.479%0.79278%0.781SS**  trans-82.8164.817934.2-36.9000114.7
491P39.2Very low44.8Very low111 Ų111131.9 Ų131.972%0.72178%0.78SS**  trans-101.7151.7-173.438.2-34.1000115.3
492L37.2Very low44.5Very low181 Ų181130.7 Ų130.795%0.94877%0.774SS**  trans-142.1155.5153.7-83.5-178000110.1
493T37.5Very low43.8Very low113 Ų113130 Ų13069%0.69377%0.774SS**  trans-127.2136.1-167.9-59.90000111.5
494L37.3Very low43.5Very low175 Ų175128.9 Ų128.992%0.91677%0.77SS**  trans-164.9167.8136.5-105.5165.5000110.7
495Q41.2Very low43.2Very low172 Ų172125.6 Ų125.680%0.80476%0.761SS**  trans-112.5171.2-154.5-86.5-157.429.900115.7
496P47.3Very low42.4Very low104 Ų104122 Ų12268%0.67576%0.757SS**  trans-119.7-132.7-153.842.2-26.4000112.2
497P50.7Low41.2Very low109 Ų109122 Ų12271%0.70876%0.76SS**  -102-165.9-62.728.4-8.3000110.9
498V41.3Very low40.2Very low120 Ų120120.6 Ų120.673%0.72776%0.758SS**  -167.4129.867.9170.60000112
499L43Very low38.9Very low152 Ų152124.4 Ų124.480%0.79676%0.758SS**  trans-0.6171141.8-58.7167.5000121.3
500P45.5Very low37.8Very low106 Ų106123.5 Ų123.569%0.68875%0.75SS**  cis-142.7-174.8-45.741.8-25.2000113.4
501S36.6Very low37Very low106 Ų106126.5 Ų126.574%0.74175%0.754SS**  155.6155.9122.1570000115.7
502S35.7Very low36.5Very low95 Ų95131.2 Ų131.266%0.66476%0.757SS**  trans42.4108.1157.358.90000119.3
503S36.4Very low36.1Very low111 Ų111128.6 Ų128.678%0.77674%0.744SS**  102145.989.268.20000112.3
504S36.2Very low35.9Very low105 Ų105131 Ų13173%0.73475%0.747SS**  cis-160.8177.7-4.137.40000110.8
505S32.3Very low35.5Very low101 Ų101130.3 Ų130.371%0.70674%0.741SS**  trans-7.1129164.451.30000118.4
506S31.2Very low35Very low114 Ų114127.5 Ų127.580%0.79774%0.736SS**  74.6149.352.3-164.10000114.6
507S29.8Very low34.2Very low107 Ų107130.1 Ų130.175%0.74874%0.736SS**  trans59.4116.3-166.3-83.40000114.4
508A32.3Very low33.2Very low87 Ų87132.1 Ų132.172%0.71974%0.736SS**  cis64.1117.345.700000114.1
509Y25.7Very low32.6Very low203 Ų203132.6 Ų132.680%0.79673%0.731SS**  trans-172.4149.6130.2-124.1-102.8000113
510T29.6Very low32Very low99 Ų99131.9 Ų131.961%0.60772%0.723SS**  trans42.1112.6159.632.90000121.8
511Q31.9Very low31.3Very low185 Ų185133.9 Ų133.986%0.86472%0.723SS**  -175.6131.5102.3-94.5150.7105.100108.7
512R28.1Very low30.8Very low210 Ų210135.7 Ų135.779%0.79272%0.724SS**  cis81.4123.735.8-158.2-169.1-156.4-132.98.3113
513L29Very low30.3Very low127 Ų127134.7 Ų134.767%0.66572%0.721SS**  trans71.7120.4-179.9-61.7139.9000113.2
514H33.2Very low29.8Very low163 Ų163138.7 Ų138.776%0.75573%0.725SS**  68.1101.863.7-62.5-172.9000113.8
515M28.4Very low29.5Very low160 Ų160140.3 Ų140.379%0.78873%0.725SS**  -156.6131.6119-80.3-148.2-178.400106.5
516T31.9Very low29.2Very low114 Ų114142.1 Ų142.170%0.69973%0.726SS**  cis72.7142.837-42.20000112.4
517K28.8Very low29Very low158 Ų158141.9 Ų141.969%0.68773%0.725SS**  trans78.7141.5-174.1-61.1171.4-175170.30112.1
518Q29.7Very low29.2Very low151 Ų151142 Ų14271%0.70672%0.721SS**  cis-157175.62.2-111.9164.9-1600107.1
519Q30.2Very low29.5Very low131 Ų131143.9 Ų143.961%0.61273%0.726SS**  cis-159.6160.413.2-132.8168.71.700108.7
520Q30Very low29.5Very low136 Ų136139.7 Ų139.764%0.63672%0.718SS**  trans68.6144148.9-69.3162.51200119.1
521Q29.7Very low29.5Very low148 Ų148144.9 Ų144.969%0.69273%0.726SS**  cis-156.7164-14.3-127.1166.4-6.100112.5
522L26.6Very low29.3Very low145 Ų145142.5 Ų142.576%0.75972%0.719SS**  trans18.6116.9142.3-68166.3000117.5
523A26.2Very low29.4Very low74 Ų74136.9 Ų136.961%0.61271%0.712SS**  97.8144.362.700000113.3
524F25.7Very low29.4Very low194 Ų194139.1 Ų139.185%0.85172%0.717SS**  trans69.4142.6153.7-90-120.6000119.8
525L28.3Very low29.2Very low140 Ų140136.5 Ų136.573%0.73371%0.712SS**  trans69.6124.2169-54.6174.8000114.7
526N27.9Very low29.2Very low138 Ų138134.3 Ų134.374%0.73870%0.703SS**  74.2147.857.1-67.3-20.7000113.2
527S27Very low29.1Very low109 Ų109134.5 Ų134.576%0.76270%0.7SS**  trans77.5113.4-170.5-33.20000110.4
528T32.8Very low29.2Very low110 Ų110131.8 Ų131.868%0.67570%0.697SS**  cis44.3119.436.934.50000113.1N530T528-N530 HydrophobicContact CG2-CB 3.95Å
529P38Very low29.3Very low126 Ų126131 Ų13182%0.81869%0.693SS**  -109.4139.573.435.6-35.8000112.1
530N26.8Very low29.3Very low116 Ų116132 Ų13262%0.6270%0.697SS**  cis68.2145.130.4-159.6-3.9000113.2T528T528-N530 HydrophobicContact CG2-CB 3.95Å
531R28.9Very low29.3Very low207 Ų207129.5 Ų129.578%0.78169%0.694SS**  trans70.5124.8175.8-52.4178.9-171.7-177.51.6113.4
532N28.7Very low29.5Very low135 Ų135131.3 Ų131.372%0.72270%0.703SS**  cis-134.9137.43.2-93.9-22.6000108.9
533S29.1Very low29.8Very low92 Ų92128 Ų12864%0.64369%0.691SS**  62.5127.187113.40000111.3
534K29.2Very low30.3Very low175 Ų175131.7 Ų131.776%0.76170%0.696SS**  cis-150.5152.632.8-116.7-171.2178.4178.40109.6
535V29.3Very low30.6Very low107 Ų107130 Ų13065%0.64869%0.69SS**  49.1115.895.9164.30000110.5
536N28.7Very low30.8Very low114 Ų114131.3 Ų131.361%0.6169%0.692SS**  cis-156.3175.417.2-122.926.8000112.7
537D29.9Very low31.1Very low118 Ų118131 Ų13163%0.63169%0.686SS**  30.6140.389.4-46.5-28000113
538T30.8Very low31.3Very low102 Ų102133.2 Ų133.263%0.62668%0.684SS**  cis-178.6-177.77.319.40000107.1
539H31.3Very low31.4Very low134 Ų134135 Ų13562%0.6269%0.685SS**  trans60.3110.4135.9-71.7-177.3000118.1
540H30.4Very low31.3Very low153 Ų153134.7 Ų134.771%0.70868%0.676SS**  100.5169.574.5-80.70000110.1
541S31Very low31.7Very low82 Ų82136.8 Ų136.857%0.57369%0.687SS**  trans58.4108.9139.8630000117.5
542H33.6Very low32Very low187 Ų187130.2 Ų130.287%0.86668%0.684SS**  85166100.7-704000112.9
543S33Very low32.3Very low74 Ų74131.5 Ų131.552%0.51769%0.691SS.*  cis-173.8159.8-34.6-174.70000106.1
544H35.4Very low32.8Very low153 Ų153131.7 Ų131.771%0.70869%0.692SS**  trans60.8177.1168.5-54.9-56.2000114.7
545H32.9Very low33.1Very low159 Ų159131.7 Ų131.774%0.73670%0.7SS**  cis-152.6175.4-49.1-104.7-35.9000107.1
546H32.9Very low33.4Very low167 Ų167132.3 Ų132.377%0.77371%0.709SS**  trans65.8165.7163.9-91.3-2.2000114.9
547H33.9Very low33.8Very low131 Ų131132.2 Ų132.261%0.60672%0.717SS**  cis-165.8137.4-39.9-135.224.3000107
548Q30.7Very low34.4Very low156 Ų156134 Ų13473%0.72973%0.726SS**  trans63173.7161-53.4179.717.200114.6
549H35.8Very low34.8Very low148 Ų148130.3 Ų130.369%0.68571%0.708SS**  cis-148.4151.1-43.9-118.5-72.6000109.2
550N35.4Very low34.9Very low119 Ų119127.2 Ų127.264%0.63670%0.7SS**  trans66111.1150.2-57.3-15.2000123.3
551N34.9Very low35.1Very low159 Ų159126 Ų12685%0.8570%0.699SS**  67.3123.4122.6-54-10.6000123.9
552G35.4Very low35.2Very low69 Ų69126.1 Ų126.171%0.71170%0.7SS**  trans139.492.6131.300000120.8
553N34Very low35.2Very low163 Ų163121.6 Ų121.687%0.87269%0.69SS**  trans57.2149.7153.8-632.3000120.8
554S40.1Very low35.4Very low95 Ų95123.8 Ų123.866%0.66470%0.702SS**  cis-166.6138.1-18.9-92.80000112
555L35.7Very low35.4Very low176 Ų176121.2 Ų121.292%0.92170%0.699SS**  trans70.2149.2161.2-60.3172.6000120.6
556S35.7Very low35.3Very low120 Ų120120.1 Ų120.184%0.83970%0.697SS**  trans-170.3-179.6-171.256.80000110
557S38.2Very low35.4Very low111 Ų111120.2 Ų120.278%0.77670%0.698SS**  -165.2138.3-52.2-172.70000105.9
558L40.7Very low35.2Very low156 Ų156117.6 Ų117.682%0.81769%0.694SS**  trans-125.6133.8-135-122.4-178.8000119L1036L558-L1036 WeakPolarHBondContact O-CD2 3.14Å
559G39.7Very low35.3Very low25 Ų25117.1 Ų117.126%0.25870%0.695SS.*  trans103.2119.4131.800000118.3L1036 P1037G559-L1036 WeakPolarHBondContact O-CA 3.31Å; G559-L1036 WeakPolarHBondContact O-CD2 3.48Å; G559-P1037 CarbonylContact O-C 3.51Å; G559-P1037 VanDerWaalsContact O-CA 3.28Å; G559-P1037 WeakPolarHBondContact O-CA 3.49Å
560C32.9Very low35.3Very low68 Ų68117.9 Ų117.946%0.45970%0.698SS.*  trans-144141.815755.50000116.2P1037C560-P1037 WeakPolarHBondContact CA-O 3.3Å; C560-P1037 WeakPolarHBondContact CB-O 3.46Å
561N34.7Very low35.3Very low129 Ų129115.7 Ų115.769%0.6969%0.692SS**SBendtrans58.1142.1170.2-63.9-16000121.1P1037 L1038N561-P1037 PolarHBondContact N-O 3.4Å; N561-P1037 PolarHBondContact OD1-O 3.07Å; N561-P1037 VanDerWaalsContact OD1-O 3.14Å; N561-L1038 VanDerWaalsContact N-CG 3.34Å; N561-L1038 VanDerWaalsContact O-CD1 3.32Å; N561-L1038 WeakPolarHBondContact O-CD1 3.31Å
562S33.1Very low35.3Very low84 Ų84113.5 Ų113.559%0.58768%0.681SS**  trans-91.4164.1-159.7-46.50000113.5
563S33.4Very low35.3Very low92 Ų92115.6 Ų115.664%0.64368%0.676SS**  cis-161.4137.6-24.6-92.80000108.1
564P38Very low35.6Very low119 Ų119113.7 Ų113.777%0.77367%0.665SS**  trans-90.1-165.9164.343.6-38.3000108.9
565P35.6Very low35.3Very low100 Ų100113.9 Ų113.965%0.64966%0.659SS**  cis-135.4-165.1-3.733.8-10000113.8
566I29.9Very low35.1Very low136 Ų136114.1 Ų114.170%0.69765%0.649SS**  trans59.4119.4136.2-82.2161.9000120.3
567H35.1Very low34.7Very low169 Ų169115.2 Ų115.278%0.78265%0.645SS**  trans58.3159.8148.5-68.8-126.1000118.2
568S31Very low34.4Very low76 Ų76115.9 Ų115.953%0.53165%0.645SS.*  cis-175.5169.7-24.4-87.70000106.9
569I32.2Very low33.8Very low146 Ų146115 Ų11575%0.74964%0.639SS**  trans74.9108.1147.4-79158.5000118.5
570H35.7Very low33.4Very low163 Ų163118.9 Ų118.976%0.75566%0.659SS**  trans68.2161.7141.1-68.170.1000120.8
571S34.8Very low33.3Very low73 Ų73121.7 Ų121.751%0.5167%0.669SS.*  cis-177.5146.5-42-97.70000109.3
572N36.2Very low33Very low114 Ų114121.7 Ų121.761%0.6167%0.669SS**  trans65.5164.5155.6-59.15.5000115.5
573N35Very low32.9Very low113 Ų113126.3 Ų126.360%0.60468%0.678SS**  cis-154.1173.4-7.2-134.830.9000110.9
574D39.5Very low32.9Very low122 Ų122125.7 Ų125.765%0.65267%0.674SS**  trans65.8155.7144.5-69.7-34.9000121.4
575N33.3Very low32.6Very low99 Ų99123.3 Ų123.353%0.52966%0.655SS.*  cis-169.8165.1-39.5-138.6-42.8000109.8
576Y31.8Very low32.5Very low182 Ų182127.5 Ų127.571%0.71466%0.659SS**  trans57.2120.2164.6-56.7-54000117.9
577N28.8Very low32.8Very low142 Ų142124.9 Ų124.976%0.75966%0.658SS**  66.1152.473.4-74.8-8000114.8
578T30.5Very low32.7Very low126 Ų126121.4 Ų121.477%0.77365%0.652SS**  trans90.9135.8172.2-42.50000115.1
579I29.1Very low32.9Very low136 Ų136121 Ų12170%0.69765%0.647SS**  cis-168127.1-37.4-118.8159.7000108.7
580T31Very low33.1Very low108 Ų108117.1 Ų117.166%0.66363%0.632SS**  trans62.5161.5153.771.30000123.3
581N29.5Very low33.3Very low127 Ų127111.9 Ų111.968%0.67961%0.613SS**  trans85.9103.9139.2-74.3-32.4000122.6
582N28.6Very low33.9Very low129 Ų129113.2 Ų113.269%0.6962%0.62SS**  82.5105.7120.7-71.7-39.5000122.8
583K30.9Very low34Very low181 Ų181113.2 Ų113.279%0.78763%0.626SS**  91.1126.5104.8-166.1173.4-173.8170.70119.8
584S34.3Very low34.1Very low79 Ų79115.9 Ų115.955%0.55264%0.635SS**  trans73.1158.8160.281.30000117.2
585N31.2Very low33.9Very low69 Ų69116.6 Ų116.637%0.36964%0.638SS.*  cis-168166.2-24.9-106.8-24.4000109.2N1067N585-N1067 PolarHBondContact OD1-ND2 2.83Å
586Y34.2Very low34Very low188 Ų188116.6 Ų116.674%0.73765%0.646SS**  trans73.8155.9162.3-44.6-64.2000118.1N1067Y586-N1067 PolarHBondContact N-ND2 2.61Å
587A35.5Very low34.1Very low81 Ų81112.1 Ų112.167%0.66964%0.641SS**  cis-174.1162.9-29.400000112.9
588S34.3Very low34.3Very low95 Ų95116.3 Ų116.366%0.66465%0.646SS**  trans73.2160.6155.1780000119.6
589T34.3Very low34.6Very low68 Ų68114 Ų11442%0.41764%0.636SS.*  cis-146.4-1173-12.10000115.1T1058T589-T1058 WeakPolarHBondContact O-CB 3.39Å; T589-T1058 PolarHBondContact O-N 3.28Å; T589-T1058 PolarHBondContact O-OG1 2.98Å
590S35.7Very low34.9Very low64 Ų64114.4 Ų114.445%0.44864%0.639SS.*  trans-132.2170.8-142.2-68.30000119.6T1057S590-T1057 WeakPolarHBondContact O-CA 3.43Å
591P41Very low34.9Very low53 Ų53113.4 Ų113.434%0.34464%0.637SS.*  trans-138.6-124-16339.6-14.1000113.2T1058 L1059P591-T1058 VanDerWaalsContact CG-O 3.23Å; P591-T1058 WeakPolarHBondContact CG-O 3.45Å; P591-L1059 VanDerWaalsContact CD-CD1 3.42Å; P591-L1059 HydrophobicContact CG-CB 3.56Å; P591-L1059 HydrophobicContact CG-CD1 3.8Å; P591-L1059 HydrophobicContact CG-CG 3.6Å
592P46.1Very low35.2Very low102 Ų102113.2 Ų113.266%0.66264%0.642SS**  -104.4-165-80.538.9-21.1000113
593P39.7Very low35.2Very low114 Ų114114.5 Ų114.574%0.7464%0.644SS**  -146.2137.6114.534.3-17.4000115.2
594Q36.3Very low35.2Very low169 Ų169112.1 Ų112.179%0.7964%0.635SS**  70.4156.491-51.6-145.640.700115.7
595L35.7Very low34.9Very low136 Ų136114.5 Ų114.571%0.71264%0.641SS**  cis-157.2133.723.1-153.9125.2000112.7
596S34.6Very low34.8Very low99 Ų99117.4 Ų117.469%0.69266%0.656SS**  trans65.6151.3147.1-69.50000123.2
597S35.4Very low34.4Very low88 Ų88113.9 Ų113.962%0.61565%0.65SS**  cis-171.3158.4-11.1530000114.6
598R32.8Very low34Very low230 Ų230115.9 Ų115.987%0.86865%0.649SS**  trans72.3151.4146.6-82165.8143.8155.7-6.9118.9
599S35.6Very low33.6Very low79 Ų79121.1 Ų121.155%0.55266%0.655SS**  cis-172.5179.9-27.347.50000106.8
600N36Very low33.3Very low143 Ų143123.8 Ų123.877%0.76567%0.666SS**  cis-155.9166.222.6-49.3-90.3000107.9
601S32Very low33.1Very low88 Ų88126.4 Ų126.462%0.61568%0.679SS**  cis-167.9141.7-29.2-85.80000108.3
602P35.1Very low32.6Very low122 Ų122128.7 Ų128.779%0.79270%0.696SS**  trans-91.3151.5174.136.1-33.9000112.9
603H29.6Very low32Very low156 Ų156127.9 Ų127.972%0.72269%0.693SS**  trans-169152.8-175.5-92.7-50.3000108
604Q30.5Very low31.7Very low131 Ų131129.4 Ų129.461%0.61270%0.695SS**  cis-147.3153.92.2-93.1-53.331.200109.1
605L27.7Very low31.4Very low130 Ų130127.6 Ų127.668%0.68169%0.69SS**  trans46.6154.5131.7-56174.8000122.5
606L27.8Very low31.2Very low130 Ų130127.3 Ų127.368%0.68169%0.689SS**  cis-178.5154.2-19.5-172.777.8000108.7
607N26.6Very low30.9Very low113 Ų113128.2 Ų128.260%0.60469%0.686SS**  trans60.7126.7150-86.5-3.2000122.1
608N27.2Very low30.8Very low123 Ų123133 Ų13366%0.65869%0.692SS**  trans69162.3130.6-63.3-19.6000117.8
609R26.8Very low30.6Very low205 Ų205129.4 Ų129.477%0.77469%0.689SS**  cis-170.9166.6-14.6-108-174.8176.5-142.4-3.4106.6
610L27.6Very low30.3Very low124 Ų124130.3 Ų130.365%0.64970%0.696SS**  cis-168.4169.9-13.9-169.567.2000105.8
611V31.3Very low30.1Very low119 Ų119128.1 Ų128.172%0.72169%0.691SS**  trans72107.6159.4140.90000113.5
612S30.3Very low30.3Very low101 Ų101131.3 Ų131.371%0.70670%0.698SS**  85.3153.981.2-78.30000113.1
613S33.1Very low30.4Very low85 Ų85131.3 Ų131.359%0.59469%0.691SS**  cis-170.3142.4-16.4-97.40000108.8
614N32.8Very low30.7Very low146 Ų146130.6 Ų130.678%0.78169%0.693SS**  trans66.9173163-44.9-10.7000113.4
615N31.2Very low31.2Very low131 Ų131130.1 Ų130.170%0.70170%0.699SS**  cis-150.1171.28.8-14913000113.1
616L31.4Very low31.7Very low130 Ų130130.5 Ų130.568%0.68170%0.702SS**  trans-17.8158.8149.2-60166.9000116.6
617N29.2Very low32.2Very low118 Ų118131.6 Ų131.663%0.63170%0.703SS**  cis-171.1-173.423.8-140.4-3.7000113.2
618Y31.8Very low32.7Very low189 Ų189132.2 Ų132.274%0.74170%0.702SS**  trans67.6123.5164.4-76-76.3000116.6
619L28.7Very low33.3Very low155 Ų155129.6 Ų129.681%0.81269%0.688SS**  cis75.414220-158.769.6000115.4
620S29.6Very low33.8Very low98 Ų98124.7 Ų124.769%0.68568%0.678SS**  trans64.4146.8172.9540000117.1
621S32.5Very low34.5Very low96 Ų96127.4 Ų127.467%0.67169%0.687SS**  cis-174176.8-23.9-156.20000107.5
622M36.1Very low35.1Very low156 Ų156128.8 Ų128.877%0.76869%0.687SS**  trans72.6153.5154.8-61.8150.9154.600117.5
623D35.9Very low35.9Very low121 Ų121130 Ų13065%0.64769%0.686SS**  cis-161.8148.6-20.6-90.8-17.9000108
624D36.4Very low36.2Very low142 Ų142130.5 Ų130.576%0.75969%0.69SS**  trans50.8173.3145.2-54.6-29.3000125.1
625V41.9Very low36.5Very low120 Ų120130 Ų13073%0.72769%0.687SS**  trans79.388.5160.2-560000123.5
626D37.9Very low37Very low139 Ų139132.4 Ų132.474%0.74369%0.694SS**  71.1153.5104.5-55.8-28.4000126.4
627E38.8Very low37.7Very low152 Ų152132.1 Ų132.171%0.7170%0.697SS**  trans86.8101.7144.8-86.6169.9-169.500124
628E36.6Very low38Very low126 Ų126133.8 Ų133.859%0.58971%0.706SS**  80.1132.7115.4-90.9-166.2-164.300125.3L203L203-E628 WeakPolarHBondContact CD2-O 3.2Å; L203-E628 WeakPolarHBondContact CG-O 3.45Å
629N38.6Very low38.6Very low68 Ų68133.9 Ų133.936%0.36471%0.713SS.*  trans79154.5146.2-57.5-9.8000118.5T204T204-N629 WeakPolarHBondContact CG2-O 3.36Å
630D38.8Very low38.8Very low103 Ų103135 Ų13555%0.55171%0.714SS**  cis-152138.6-8.7-103.1-18.3000111.7
631E41.2Very low39.3Very low180 Ų180138.2 Ų138.284%0.84172%0.722SS**  trans31.8159.5130.5-150.6162.9-119.400125.2
632M45.4Very low39.4Very low149 Ų149142.7 Ų142.773%0.73473%0.733SS**  trans96.2135.6151-154.5-174.6-176.600118.8
633D46.4Very low39.2Very low125 Ų125138.7 Ų138.767%0.66873%0.731SS**  cis-171.3-173.8-28-158.61.8000110.5
634S38.6Very low39.1Very low97 Ų97142.4 Ų142.468%0.67875%0.745SS**  trans84.283.6159.363.10000120.8
635D40.1Very low39Very low135 Ų135143.4 Ų143.472%0.72275%0.745SS**  64.6149.9103.5-59-31.1000125.2
636E41.6Very low38.6Very low182 Ų182145.7 Ų145.785%0.8575%0.749SS**  trans66.4140.4152.6-78.5-176.816300119.6
637V45.3Very low38.4Very low124 Ų124145.6 Ų145.675%0.75275%0.749SS**  cis-140.7156.53.4-112.10000110.6
638D36.9Very low38.1Very low152 Ų152144.8 Ų144.881%0.81375%0.749SS**  trans-70156.6170-44.2-91000113
639E42.5Very low38.3Very low192 Ų192144.3 Ų144.390%0.89776%0.76SS**  -156.4131.6124.7-128.8175.7-148.200110.4
640E34.2Very low37.9Very low177 Ų177146.5 Ų146.583%0.82778%0.781SS**  trans-81.5157.2170.1-57.8174.6131.700110
641I40.5Very low37.6Very low167 Ų167147 Ų14786%0.85679%0.787SS**  trans-168.2142.7139.7-102.9152.2000109.7
642E33Very low37.3Very low190 Ų190146.6 Ų146.689%0.88879%0.785SS**  trans-90.9171.5-174.7-54.4-177.3117.600113
643G31.9Very low36.6Very low71 Ų71143.4 Ų143.473%0.73279%0.791SS**  trans92161.7164.500000116.2
644E35Very low35.9Very low200 Ų200144 Ų14494%0.93579%0.794SS**  cis-141.5-165.4-6.9-72.1-160.8148.300110.5
645E33.1Very low36Very low162 Ų162147 Ų14776%0.75780%0.802SS**  trans-74.9178.1-169.1-52.1-174.513900116
646M34.8Very low36.4Very low168 Ų168147.2 Ų147.283%0.82880%0.799SS**  trans75.8158.6162.5-32.6-161.2-173.100115.7
647D33.6Very low36.9Very low138 Ų138147.1 Ų147.174%0.73880%0.798SS**  cis-145.3-163.34.3105.9-67.3000114.3
648N31.9Very low37.5Very low134 Ų134147.4 Ų147.472%0.71779%0.786SS**  trans-69.1150.2-168.8-51.2-91.8000115.6
649S40.6Very low39.3Very low116 Ų116143.2 Ų143.281%0.81177%0.766SS**  -153.6119.1123.148.10000112.7
650S31.1Very low40.7Very low115 Ų115139 Ų13980%0.80475%0.745SS**  trans-82.7120.5174.657.40000111
651T32.8Very low42.9Very low112 Ų112135.4 Ų135.469%0.68773%0.728SS**  trans-158.8137.8158.91.70000114.4
652H34.8Very low44.9Very low172 Ų172131.2 Ų131.280%0.79671%0.705SS**  trans58.5104.4163.9-53.7113.3000118.4
653G29.1Very low47.3Very low82 Ų82123.1 Ų123.185%0.84567%0.667SS**  trans-79.2128.6175.300000114
654N33.3Very low49.9Very low137 Ų137121.1 Ų121.173%0.73364%0.638SS**  trans-103.1124.3165-83.9-45.7000110.5H656N654-H656 PolarHBondContact O-N 3.37Å; N654-H656 PolarHBondContact O-ND1 3.39Å
655N38.8Very low52.4Low161 Ų161117 Ų11786%0.86162%0.617SS**  trans-65.8104.7165.7-83.3-80.1000108.1Q657N655-Q657 VanDerWaalsContact C-N 3.28Å; N655-Q657 PolarHBondContact O-N 3.44Å
656H49.7Very low54.9Low140 Ų140113.6 Ų113.665%0.64860%0.601SS**  trans-7188.2175.6-76.255.8000108.9N654 W658N654-H656 PolarHBondContact O-N 3.37Å; N654-H656 PolarHBondContact O-ND1 3.39Å; H656-W658 VanDerWaalsContact O-CD1 3.31Å; H656-W658 PolarHBondContact O-N 2.89Å
657Q51.2Low57.6Low180 Ų180105.6 Ų105.684%0.84156%0.562SS**  trans-80.171.6177.2-174.1153.1-54.300109.7N655 T659N655-Q657 VanDerWaalsContact C-N 3.28Å; N655-Q657 PolarHBondContact O-N 3.44Å; Q657-T659 PolarHBondContact O-N 3.45Å
658W58.2Low60.2Low129 Ų129102.1 Ų102.149%0.48954%0.539SS..  trans-40.5124176.9-63.1106.4000111.6H656 E662 Q663H656-W658 VanDerWaalsContact O-CD1 3.31Å; H656-W658 PolarHBondContact O-N 2.89Å; W658-E662 WeakPolarHBondContact CA-OE2 3.09Å; W658-E662 HydrophobicContact CE3-CB 4.16Å; W658-Q663 HydrophobicContact CB-CG 4Å; W658-Q663 PolarHBondContact O-NE2 2.89Å
659T74.9Confident62.9Low65 Ų65100.5 Ų100.540%0.39953%0.534SS..  trans-68160.1177.272.10000110.8Q657 E661 E662 Q663Q657-T659 PolarHBondContact O-N 3.45Å; T659-E661 PolarHBondContact O-N 3.08Å; T659-E662 WeakPolarHBondContact CB-OE1 3.48Å; T659-E662 WeakPolarHBondContact CG2-OE1 3.19Å; T659-E662 PolarHBondContact N-OE2 3Å; T659-E662 PolarHBondContact O-N 2.82Å; T659-E662 WeakPolarHBondContact OG1-CG 3.47Å; T659-E662 PolarHBondContact OG1-N 2.82Å; T659-E662 PolarHBondContact OG1-OE1 3.39Å; T659-Q663 WeakPolarHBondContact O-CG 3.39Å; T659-Q663 PolarHBondContact O-N 3.42Å
660F71.8Confident65.1Low102 Ų10298.2 Ų98.245%0.44751%0.512SS..Hα-helixtrans-54.7-42.5174.2174-88.9000111.4Q663 F664 V694 N695F660-Q663 PolarHBondContact O-N 2.94Å; F660-F664 HydrophobicContact CD1-CD2 4.19Å; F660-F664 HydrophobicContact CD1-CE2 4.35Å; F660-F664 HydrophobicContact CD2-CD2 4.39Å; F660-F664 HydrophobicContact CD2-CE2 4.04Å; F660-F664 AromaticContact CE1-CD2 3.87Å; F660-F664 HydrophobicContact CE1-CD2 3.87Å; F660-F664 AromaticContact CE1-CE2 3.72Å; F660-F664 HydrophobicContact CE1-CE2 3.72Å; F660-F664 HydrophobicContact CE1-CZ 4.29Å; F660-F664 HydrophobicContact CE2-CD2 4.08Å; F660-F664 AromaticContact CE2-CE2 3.36Å; F660-F664 HydrophobicContact CE2-CE2 3.36Å; F660-F664 HydrophobicContact CE2-CZ 4.11Å; F660-F664 HydrophobicContact CG-CD2 4.44Å; F660-F664 HydrophobicContact CG-CE2 4.49Å; F660-F664 AromaticContact CZ-CD2 3.81Å; F660-F664 HydrophobicContact CZ-CD2 3.81Å; F660-F664 AromaticContact CZ-CE2 3.17Å; F660-F664 HydrophobicContact CZ-CE2 3.17Å; F660-F664 AromaticContact CZ-CZ 3.63Å; F660-F664 HydrophobicContact CZ-CZ 3.63Å; F660-F664 WeakPolarHBondContact O-CD2 3.29Å; F660-F664 PolarHBondContact O-N 3.47Å; F660-F664 VanDerWaalsContact O-N 3.12Å; F660-V694 WeakPolarHBondContact CE2-O 3.35Å; F660-N695 WeakPolarHBondContact CE2-O 3.33Å
661E80Confident67.5Low103 Ų10394.2 Ų94.248%0.48148%0.484SS..Hα-helixtrans-63.9-41.7179.3-177.670.5-17800112.6T659 K665T659-E661 PolarHBondContact O-N 3.08Å; E661-K665 HydrophobicContact CG-CD 4.26Å; E661-K665 VanDerWaalsContact CG-NZ 3.27Å; E661-K665 WeakPolarHBondContact O-CB 3.43Å; E661-K665 WeakPolarHBondContact O-CG 3.46Å; E661-K665 PolarHBondContact O-N 3.17Å; E661-K665 WeakPolarHBondContact OE1-CE 3.31Å; E661-K665 IonicContact OE1-NZ 2.66Å; E661-K665 PolarHBondContact OE1-NZ 3.23Å
662E82.9Confident69.9Low79 Ų7996.6 Ų96.637%0.36949%0.492SS..Hα-helixtrans-63.9-43.4173.6-75.5139.1-130.200112W658 T659 F664 K665 Q666W658-E662 WeakPolarHBondContact CA-OE2 3.09Å; W658-E662 HydrophobicContact CE3-CB 4.16Å; T659-E662 WeakPolarHBondContact CB-OE1 3.48Å; T659-E662 WeakPolarHBondContact CG2-OE1 3.19Å; T659-E662 PolarHBondContact N-OE2 3Å; T659-E662 PolarHBondContact O-N 2.82Å; T659-E662 WeakPolarHBondContact OG1-CG 3.47Å; T659-E662 PolarHBondContact OG1-N 2.82Å; T659-E662 PolarHBondContact OG1-OE1 3.39Å; E662-F664 VanDerWaalsContact C-N 3.3Å; E662-F664 PolarHBondContact O-N 3.48Å; E662-K665 PolarHBondContact O-N 3.41Å; E662-Q666 WeakPolarHBondContact O-CB 3.45Å; E662-Q666 PolarHBondContact O-N 2.89Å
663Q83Confident72.3Confident19 Ų1992 Ų929%0.08947%0.474CS..Hα-helixtrans-62-37.8179.6-68.3167.438.900112W658 T659 F660 L667 I697 V704W658-Q663 HydrophobicContact CB-CG 4Å; W658-Q663 PolarHBondContact O-NE2 2.89Å; T659-Q663 WeakPolarHBondContact O-CG 3.39Å; T659-Q663 PolarHBondContact O-N 3.42Å; F660-Q663 PolarHBondContact O-N 2.94Å; Q663-L667 PolarHBondContact O-N 3.32Å; Q663-I697 HydrophobicContact CB-CB 4.05Å; Q663-I697 HydrophobicContact CB-CG1 3.95Å; Q663-V704 HydrophobicContact CB-CG2 4.46Å
664F86.8Confident75.1Confident29 Ų2992.9 Ų92.913%0.12746%0.464CS..Hα-helixtrans-67.6-50.5172.8-90.4-107.3000111.4F660 E662 Q666 L667 Y668 F684 V694 I697F660-F664 HydrophobicContact CD1-CD2 4.19Å; F660-F664 HydrophobicContact CD1-CE2 4.35Å; F660-F664 HydrophobicContact CD2-CD2 4.39Å; F660-F664 HydrophobicContact CD2-CE2 4.04Å; F660-F664 AromaticContact CE1-CD2 3.87Å; F660-F664 HydrophobicContact CE1-CD2 3.87Å; F660-F664 AromaticContact CE1-CE2 3.72Å; F660-F664 HydrophobicContact CE1-CE2 3.72Å; F660-F664 HydrophobicContact CE1-CZ 4.29Å; F660-F664 HydrophobicContact CE2-CD2 4.08Å; F660-F664 AromaticContact CE2-CE2 3.36Å; F660-F664 HydrophobicContact CE2-CE2 3.36Å; F660-F664 HydrophobicContact CE2-CZ 4.11Å; F660-F664 HydrophobicContact CG-CD2 4.44Å; F660-F664 HydrophobicContact CG-CE2 4.49Å; F660-F664 AromaticContact CZ-CD2 3.81Å; F660-F664 HydrophobicContact CZ-CD2 3.81Å; F660-F664 AromaticContact CZ-CE2 3.17Å; F660-F664 HydrophobicContact CZ-CE2 3.17Å; F660-F664 AromaticContact CZ-CZ 3.63Å; F660-F664 HydrophobicContact CZ-CZ 3.63Å; F660-F664 WeakPolarHBondContact O-CD2 3.29Å; F660-F664 PolarHBondContact O-N 3.47Å; F660-F664 VanDerWaalsContact O-N 3.12Å; E662-F664 VanDerWaalsContact C-N 3.3Å; E662-F664 PolarHBondContact O-N 3.48Å; F664-Q666 VanDerWaalsContact C-N 3.29Å; F664-Q666 PolarHBondContact O-N 3.1Å; F664-L667 WeakPolarHBondContact O-CB 3.19Å; F664-L667 PolarHBondContact O-N 2.95Å; F664-Y668 HydrophobicContact CD1-CE2 4.47Å; F664-Y668 VanDerWaalsContact O-CD2 3.25Å; F664-Y668 WeakPolarHBondContact O-CD2 3.42Å; F664-Y668 PolarHBondContact O-N 2.65Å; F664-F684 HydrophobicContact CD1-CD2 4.25Å; F664-F684 AromaticContact CD1-CE2 3.67Å; F664-F684 HydrophobicContact CD1-CE2 3.67Å; F664-F684 HydrophobicContact CD1-CZ 4.05Å; F664-F684 HydrophobicContact CE1-CD1 4.4Å; F664-F684 AromaticContact CE1-CD2 3.78Å; F664-F684 HydrophobicContact CE1-CD2 3.78Å; F664-F684 HydrophobicContact CE1-CE1 4.13Å; F664-F684 AromaticContact CE1-CE2 3.46Å; F664-F684 HydrophobicContact CE1-CE2 3.46Å; F664-F684 VanDerWaalsContact CE1-CE2 3.46Å; F664-F684 HydrophobicContact CE1-CG 4.25Å; F664-F684 AromaticContact CE1-CZ 3.65Å; F664-F684 HydrophobicContact CE1-CZ 3.65Å; F664-F684 HydrophobicContact CZ-CZ 4.36Å; F664-V694 HydrophobicContact CE2-CG1 4.35Å; F664-V694 HydrophobicContact CZ-CB 4.07Å; F664-V694 HydrophobicContact CZ-CG1 3.83Å; F664-V694 WeakPolarHBondContact CZ-O 3.26Å; F664-I697 HydrophobicContact CD1-CD1 4.24Å; F664-I697 HydrophobicContact CD2-CD1 3.59Å; F664-I697 HydrophobicContact CD2-CG1 3.47Å; F664-I697 VanDerWaalsContact CD2-CG1 3.47Å; F664-I697 HydrophobicContact CE1-CD1 4.05Å; F664-I697 HydrophobicContact CE2-CD1 3.35Å; F664-I697 HydrophobicContact CE2-CG1 3.54Å; F664-I697 HydrophobicContact CG-CD1 4.04Å; F664-I697 HydrophobicContact CG-CG1 4.18Å; F664-I697 HydrophobicContact CZ-CD1 3.61Å; F664-I697 HydrophobicContact CZ-CG1 4.32Å
665K87.4Confident77.8Confident115 Ų11593 Ų9350%0.546%0.458SS..Hα-helixtrans-56.5-41.7179.1-78.3169.8-178.9158.10112.8E661 E662 L667 Y668 V669E661-K665 HydrophobicContact CG-CD 4.26Å; E661-K665 VanDerWaalsContact CG-NZ 3.27Å; E661-K665 WeakPolarHBondContact O-CB 3.43Å; E661-K665 WeakPolarHBondContact O-CG 3.46Å; E661-K665 PolarHBondContact O-N 3.17Å; E661-K665 WeakPolarHBondContact OE1-CE 3.31Å; E661-K665 IonicContact OE1-NZ 2.66Å; E661-K665 PolarHBondContact OE1-NZ 3.23Å; E662-K665 PolarHBondContact O-N 3.41Å; K665-L667 VanDerWaalsContact C-N 3.34Å; K665-L667 PolarHBondContact O-N 3.02Å; K665-Y668 PolarHBondContact O-N 3.21Å; K665-V669 WeakPolarHBondContact O-CG2 3.02Å; K665-V669 PolarHBondContact O-N 3.23Å
666Q87.3Confident80.4Confident89 Ų8985.6 Ų85.642%0.41642%0.418SS..Hα-helixtrans-59.6-45.1175.8-165.86643.600111.2E662 F664 Y668 V669 I670 V704E662-Q666 WeakPolarHBondContact O-CB 3.45Å; E662-Q666 PolarHBondContact O-N 2.89Å; F664-Q666 VanDerWaalsContact C-N 3.29Å; F664-Q666 PolarHBondContact O-N 3.1Å; Q666-Y668 VanDerWaalsContact C-N 3.29Å; Q666-Y668 PolarHBondContact O-N 3.13Å; Q666-V669 CarbonylContact O-C 3.55Å; Q666-V669 PolarHBondContact O-N 2.93Å; Q666-I670 WeakPolarHBondContact O-CG1 3.36Å; Q666-I670 PolarHBondContact O-N 3.44Å; Q666-I670 VanDerWaalsContact O-N 3.1Å; Q666-V704 HydrophobicContact CB-CG2 4.19Å; Q666-V704 HydrophobicContact CG-CB 4.35Å; Q666-V704 HydrophobicContact CG-CG2 4.31Å
667L89.6Confident82.4Confident0 Ų084.9 Ų84.90%041%0.413CS..Hα-helixtrans-62.4-32.9-177.3-175.453000113.7Q663 F664 K665 V669 I670 R676 L680 F684 I697 V704 L707Q663-L667 PolarHBondContact O-N 3.32Å; F664-L667 WeakPolarHBondContact O-CB 3.19Å; F664-L667 PolarHBondContact O-N 2.95Å; K665-L667 VanDerWaalsContact C-N 3.34Å; K665-L667 PolarHBondContact O-N 3.02Å; L667-V669 VanDerWaalsContact C-N 3.3Å; L667-I670 HydrophobicContact CD1-CD1 4.22Å; L667-R676 PolarHBondContact O-NH1 3.47Å; L667-L680 HydrophobicContact CD1-CD2 4.39Å; L667-L680 HydrophobicContact CD2-CD2 3.82Å; L667-L680 HydrophobicContact CG-CD1 3.88Å; L667-L680 HydrophobicContact CG-CD2 3.88Å; L667-F684 HydrophobicContact CD2-CZ 4Å; L667-I697 HydrophobicContact CD2-CD1 3.8Å; L667-I697 HydrophobicContact CD2-CG2 4.07Å; L667-V704 HydrophobicContact CB-CG1 3.9Å; L667-V704 HydrophobicContact CD1-CG1 4.03Å; L667-V704 HydrophobicContact CG-CG1 4.41Å; L667-L707 HydrophobicContact CD2-CD1 4.05Å; L667-L707 HydrophobicContact CD2-CG 4.14Å
668Y89.7Confident84.4Confident65 Ų6582.4 Ų82.426%0.25540%0.402SS..Hα-helixtrans-74.1-16.5173.2-74.2-77.8000114.1F664 K665 Q666 K677 L680 D681 F684F664-Y668 HydrophobicContact CD1-CE2 4.47Å; F664-Y668 VanDerWaalsContact O-CD2 3.25Å; F664-Y668 WeakPolarHBondContact O-CD2 3.42Å; F664-Y668 PolarHBondContact O-N 2.65Å; K665-Y668 PolarHBondContact O-N 3.21Å; Q666-Y668 VanDerWaalsContact C-N 3.29Å; Q666-Y668 PolarHBondContact O-N 3.13Å; Y668-K677 HydrophobicContact CD1-CB 4.26Å; Y668-K677 HydrophobicContact CD1-CG 3.86Å; Y668-K677 HydrophobicContact CE1-CG 3.93Å; Y668-L680 HydrophobicContact CD1-CB 4.22Å; Y668-L680 HydrophobicContact CD1-CD1 3.81Å; Y668-L680 HydrophobicContact CE1-CB 3.71Å; Y668-L680 HydrophobicContact CE1-CD1 4.15Å; Y668-L680 HydrophobicContact CG-CD1 4.21Å; Y668-D681 VanDerWaalsContact CE1-OD1 3.3Å; Y668-D681 WeakPolarHBondContact CE1-OD1 3.4Å; Y668-D681 VanDerWaalsContact CZ-OD1 3.3Å; Y668-D681 PolarHBondContact OH-OD1 3.39Å; Y668-F684 HydrophobicContact CE2-CE2 4.07Å; Y668-F684 AromaticContact CZ-CE2 3.92Å; Y668-F684 WeakPolarHBondContact OH-CD2 3.38Å
669V88.5Confident86.2Confident101 Ų10177 Ų7761%0.61238%0.382SS*.THydrogen-bonded Turntrans-121.515.7-170.5-173.70000111.5K665 Q666 L667K665-V669 WeakPolarHBondContact O-CG2 3.02Å; K665-V669 PolarHBondContact O-N 3.23Å; Q666-V669 CarbonylContact O-C 3.55Å; Q666-V669 PolarHBondContact O-N 2.93Å; L667-V669 VanDerWaalsContact C-N 3.3Å
670I86.5Confident87.2Confident67 Ų6773.9 Ų73.934%0.34436%0.363SS..SBendtrans-70.4-32175.7-84.5167.3000112.3Q666 L667 V704 D706Q666-I670 WeakPolarHBondContact O-CG1 3.36Å; Q666-I670 PolarHBondContact O-N 3.44Å; Q666-I670 VanDerWaalsContact O-N 3.1Å; L667-I670 HydrophobicContact CD1-CD1 4.22Å; I670-V704 HydrophobicContact CD1-CB 4.23Å; I670-V704 HydrophobicContact CD1-CG1 3.86Å; I670-D706 HydrophobicContact CD1-CB 4.49Å; I670-D706 HydrophobicContact CG2-CB 4.47Å; I670-D706 WeakPolarHBondContact CG2-OD2 3.28Å
671S82.1Confident88.2Confident32 Ų3272.2 Ų72.222%0.22436%0.358CS..SBendtrans-148.4158.2165.470.50000109.8D673 R676S671-D673 WeakPolarHBondContact CB-OD2 3.38Å; S671-D673 PolarHBondContact O-N 2.89Å; S671-D673 PolarHBondContact OG-OD2 3.48Å; S671-R676 WeakPolarHBondContact O-CD 3.43Å; S671-R676 PolarHBondContact O-NE 3.39Å; S671-R676 VanDerWaalsContact OG-CZ 3.24Å; S671-R676 PolarHBondContact OG-NE 3.16Å; S671-R676 PolarHBondContact OG-NH2 3.17Å
672D81.8Confident89Confident161 Ų16172.3 Ų72.386%0.86136%0.359SS*.  trans-79.711-176.6-56.6-70.2000114.5P674D672-P674 WeakPolarHBondContact O-CD 3.47Å
673D86.2Confident89.6Confident76 Ų7668.6 Ų68.641%0.40634%0.341SS..  trans-58.8117.8178-72.3-80.1000111.7S671 K675 R676 Y708S671-D673 WeakPolarHBondContact CB-OD2 3.38Å; S671-D673 PolarHBondContact O-N 2.89Å; S671-D673 PolarHBondContact OG-OD2 3.48Å; D673-K675 VanDerWaalsContact C-N 3.26Å; D673-K675 PolarHBondContact O-N 3.42Å; D673-R676 HydrophobicContact CB-CB 4.06Å; D673-R676 WeakPolarHBondContact O-CB 3.35Å; D673-R676 PolarHBondContact O-N 3.12Å; D673-Y708 HydrophobicContact CB-CE1 4.33Å
674P87Confident90.2Very high100 Ų10069 Ų6965%0.64934%0.343SS*.Hα-helixtrans-60.9-37.5-177.821.7-32.1000112.2D672 R676 K677D672-P674 WeakPolarHBondContact O-CD 3.47Å; P674-R676 PolarHBondContact O-N 3.29Å; P674-K677 PolarHBondContact O-N 3.12Å
675K90.9Very high90.5Very high139 Ų13972.3 Ų72.360%0.60437%0.366SS*.Hα-helixtrans-63-24.3177.4-65.9179.5-179.2176.60113.7D673 K677 F679 Y708D673-K675 VanDerWaalsContact C-N 3.26Å; D673-K675 PolarHBondContact O-N 3.42Å; K675-K677 VanDerWaalsContact C-N 3.33Å; K675-K677 PolarHBondContact O-N 3.47Å; K675-F679 VanDerWaalsContact O-CB 3.28Å; K675-F679 WeakPolarHBondContact O-CB 2.99Å; K675-F679 PolarHBondContact O-N 2.84Å; K675-Y708 HydrophobicContact CB-CE2 4.29Å; K675-Y708 WeakPolarHBondContact CB-OH 3.5Å
676R93.7Very high90.9Very high6 Ų667.1 Ų67.12%0.02334%0.343CS..Hα-helixtrans-57.1-48.9174.5168.7-172.6-69.8-69.5-9.6110.3L667 S671 D673 P674 L680 D706 Y708L667-R676 PolarHBondContact O-NH1 3.47Å; S671-R676 WeakPolarHBondContact O-CD 3.43Å; S671-R676 PolarHBondContact O-NE 3.39Å; S671-R676 VanDerWaalsContact OG-CZ 3.24Å; S671-R676 PolarHBondContact OG-NE 3.16Å; S671-R676 PolarHBondContact OG-NH2 3.17Å; D673-R676 HydrophobicContact CB-CB 4.06Å; D673-R676 WeakPolarHBondContact O-CB 3.35Å; D673-R676 PolarHBondContact O-N 3.12Å; P674-R676 PolarHBondContact O-N 3.29Å; R676-L680 HydrophobicContact CG-CD1 3.77Å; R676-L680 WeakPolarHBondContact O-CB 3.45Å; R676-L680 WeakPolarHBondContact O-CG 3.33Å; R676-L680 PolarHBondContact O-N 2.8Å; R676-D706 IonicContact CZ-OD1 3.92Å; R676-D706 IonicContact CZ-OD2 3.21Å; R676-D706 IonicContact NH1-OD1 2.84Å; R676-D706 PolarHBondContact NH1-OD1 2.86Å; R676-D706 IonicContact NH1-OD2 3.81Å; R676-D706 PolarHBondContact NH1-OD2 3.39Å; R676-D706 IonicContact NH2-OD1 2.9Å; R676-D706 IonicContact NH2-OD2 2.7Å; R676-D706 PolarHBondContact NH2-OD2 3.29Å; R676-Y708 HydrophobicContact CB-CD1 3.99Å; R676-Y708 HydrophobicContact CB-CE1 4.27Å; R676-Y708 HydrophobicContact CB-CG 4.13Å; R676-Y708 HydrophobicContact CG-CD1 4.43Å; R676-Y708 HydrophobicContact CG-CG 4.39Å
677K91.6Very high91.3Very high125 Ų12563.1 Ų63.154%0.54332%0.324SS..Hα-helixtrans-65.7-48.2-176.4-177.6-174.1173.7-164.50111.1Y668 P674 K675 F679 L680 D681Y668-K677 HydrophobicContact CD1-CB 4.26Å; Y668-K677 HydrophobicContact CD1-CG 3.86Å; Y668-K677 HydrophobicContact CE1-CG 3.93Å; P674-K677 PolarHBondContact O-N 3.12Å; K675-K677 VanDerWaalsContact C-N 3.33Å; K675-K677 PolarHBondContact O-N 3.47Å; K677-F679 VanDerWaalsContact C-N 3.35Å; K677-F679 PolarHBondContact O-N 3.44Å; K677-L680 PolarHBondContact O-N 3.05Å; K677-D681 WeakPolarHBondContact O-CB 3.41Å; K677-D681 PolarHBondContact O-N 3.49Å
678E93.4Very high91.6Very high128 Ų12868.5 Ų68.560%0.59835%0.349SS*.Hα-helixtrans-57.7-47.7179.5-62.5173.4157.700111.2D681 E682E678-D681 PolarHBondContact O-N 2.94Å; E678-E682 WeakPolarHBondContact O-CB 3.35Å; E678-E682 PolarHBondContact O-N 3.04Å
679F95.4Very high91.8Very high16 Ų1673.6 Ų73.67%0.0737%0.368CS..Hα-helixtrans-61.7-42.9175170.9-91.8000113.2K675 K677 E682 L683 Y708 F711 L757 Y760K675-F679 VanDerWaalsContact O-CB 3.28Å; K675-F679 WeakPolarHBondContact O-CB 2.99Å; K675-F679 PolarHBondContact O-N 2.84Å; K677-F679 VanDerWaalsContact C-N 3.35Å; K677-F679 PolarHBondContact O-N 3.44Å; F679-E682 PolarHBondContact O-N 3.07Å; F679-L683 HydrophobicContact CE1-CB 4.46Å; F679-L683 HydrophobicContact CE1-CD2 3.82Å; F679-L683 HydrophobicContact CZ-CD2 4.05Å; F679-L683 WeakPolarHBondContact O-CB 3.29Å; F679-L683 PolarHBondContact O-N 3.37Å; F679-Y708 HydrophobicContact CB-CD2 3.73Å; F679-Y708 HydrophobicContact CB-CE2 4.09Å; F679-Y708 AromaticContact CD1-CD2 3.65Å; F679-Y708 HydrophobicContact CD1-CD2 3.65Å; F679-Y708 HydrophobicContact CD1-CG 4.28Å; F679-Y708 HydrophobicContact CD2-CD2 4.46Å; F679-Y708 HydrophobicContact CE1-CD2 4.38Å; F679-Y708 AromaticContact CG-CD2 3.69Å; F679-Y708 HydrophobicContact CG-CD2 3.69Å; F679-Y708 HydrophobicContact CG-CE2 4.37Å; F679-F711 HydrophobicContact CD2-CD1 4.2Å; F679-F711 HydrophobicContact CD2-CE1 4.47Å; F679-F711 HydrophobicContact CE1-CB 4.31Å; F679-F711 HydrophobicContact CE2-CB 4.09Å; F679-F711 AromaticContact CE2-CD1 3.36Å; F679-F711 HydrophobicContact CE2-CD1 3.36Å; F679-F711 HydrophobicContact CE2-CD2 4.24Å; F679-F711 AromaticContact CE2-CE1 3.72Å; F679-F711 HydrophobicContact CE2-CE1 3.72Å; F679-F711 AromaticContact CE2-CG 3.64Å; F679-F711 HydrophobicContact CE2-CG 3.64Å; F679-F711 HydrophobicContact CE2-CZ 4.3Å; F679-F711 HydrophobicContact CZ-CB 3.57Å; F679-F711 AromaticContact CZ-CD1 3.79Å; F679-F711 HydrophobicContact CZ-CD1 3.79Å; F679-F711 HydrophobicContact CZ-CD2 4.18Å; F679-F711 HydrophobicContact CZ-CE1 4.5Å; F679-F711 AromaticContact CZ-CG 3.58Å; F679-F711 HydrophobicContact CZ-CG 3.58Å; F679-L757 HydrophobicContact CE1-CD2 4.39Å; F679-L757 HydrophobicContact CZ-CD2 3.87Å; F679-Y760 HydrophobicContact CD2-CE1 4.15Å; F679-Y760 HydrophobicContact CE2-CD1 4.15Å; F679-Y760 AromaticContact CE2-CE1 3.57Å; F679-Y760 HydrophobicContact CE2-CE1 3.57Å
680L95.4Very high92Very high0 Ų073.3 Ų73.30%036%0.356CS..Hα-helixtrans-67.1-42179.5-73.1170.4000111.5L667 Y668 R676 K677 L683 F684 L707L667-L680 HydrophobicContact CD1-CD2 4.39Å; L667-L680 HydrophobicContact CD2-CD2 3.82Å; L667-L680 HydrophobicContact CG-CD1 3.88Å; L667-L680 HydrophobicContact CG-CD2 3.88Å; Y668-L680 HydrophobicContact CD1-CB 4.22Å; Y668-L680 HydrophobicContact CD1-CD1 3.81Å; Y668-L680 HydrophobicContact CE1-CB 3.71Å; Y668-L680 HydrophobicContact CE1-CD1 4.15Å; Y668-L680 HydrophobicContact CG-CD1 4.21Å; R676-L680 HydrophobicContact CG-CD1 3.77Å; R676-L680 WeakPolarHBondContact O-CB 3.45Å; R676-L680 WeakPolarHBondContact O-CG 3.33Å; R676-L680 PolarHBondContact O-N 2.8Å; K677-L680 PolarHBondContact O-N 3.05Å; L680-L683 PolarHBondContact O-N 3.45Å; L680-F684 HydrophobicContact CB-CE2 4.14Å; L680-F684 HydrophobicContact CD2-CZ 4.07Å; L680-F684 WeakPolarHBondContact O-CB 3.34Å; L680-F684 WeakPolarHBondContact O-CD2 3.49Å; L680-F684 WeakPolarHBondContact O-CG 3.44Å; L680-F684 PolarHBondContact O-N 2.91Å; L680-L707 HydrophobicContact CD2-CB 4.3Å
681D94.1Very high92.4Very high66 Ų6670.9 Ų70.935%0.35335%0.347SS..Hα-helixtrans-61.7-45.9175.1-72.5-19.3000110.6Y668 K677 E678 V685Y668-D681 VanDerWaalsContact CE1-OD1 3.3Å; Y668-D681 WeakPolarHBondContact CE1-OD1 3.4Å; Y668-D681 VanDerWaalsContact CZ-OD1 3.3Å; Y668-D681 PolarHBondContact OH-OD1 3.39Å; K677-D681 WeakPolarHBondContact O-CB 3.41Å; K677-D681 PolarHBondContact O-N 3.49Å; E678-D681 PolarHBondContact O-N 2.94Å; D681-V685 WeakPolarHBondContact O-CB 3.13Å; D681-V685 VanDerWaalsContact O-CG2 3.3Å; D681-V685 WeakPolarHBondContact O-CG2 3.4Å; D681-V685 PolarHBondContact O-N 2.69Å
682E95.6Very high92.9Very high106 Ų10672.6 Ų72.650%0.49536%0.357SS..Hα-helixtrans-62.3-48.5174.6-169.4179.7173.300111.9E678 F679 F684 V685 Y686 Y760E678-E682 WeakPolarHBondContact O-CB 3.35Å; E678-E682 PolarHBondContact O-N 3.04Å; F679-E682 PolarHBondContact O-N 3.07Å; E682-F684 VanDerWaalsContact C-N 3.33Å; E682-F684 PolarHBondContact O-N 3.38Å; E682-V685 PolarHBondContact O-N 2.98Å; E682-Y686 WeakPolarHBondContact O-CB 3.47Å; E682-Y686 PolarHBondContact O-N 3.15Å; E682-Y760 HydrophobicContact CG-CE2 4.14Å; E682-Y760 PolarHBondContact OE2-OH 3.12Å
683L96Very high93.4Very high0 Ų066.3 Ų66.30%033%0.325CS..Hα-helixtrans-60.7-39.7-179.7179.965.6000112.1F679 L680 Y686 M687 L707 L757 Y760F679-L683 HydrophobicContact CE1-CB 4.46Å; F679-L683 HydrophobicContact CE1-CD2 3.82Å; F679-L683 HydrophobicContact CZ-CD2 4.05Å; F679-L683 WeakPolarHBondContact O-CB 3.29Å; F679-L683 PolarHBondContact O-N 3.37Å; L680-L683 PolarHBondContact O-N 3.45Å; L683-Y686 HydrophobicContact CD1-CD1 4.44Å; L683-Y686 WeakPolarHBondContact O-CB 3.14Å; L683-Y686 PolarHBondContact O-N 3.15Å; L683-M687 HydrophobicContact CD1-CG 4.31Å; L683-M687 HydrophobicContact CD1-SD 4.39Å; L683-M687 WeakPolarHBondContact O-CB 3.49Å; L683-M687 VanDerWaalsContact O-CG 3.31Å; L683-M687 WeakPolarHBondContact O-CG 3.24Å; L683-M687 PolarHBondContact O-N 2.87Å; L683-L707 HydrophobicContact CD2-CB 4.36Å; L683-L707 HydrophobicContact CD2-CD1 4.32Å; L683-L757 HydrophobicContact CD1-CD2 4.19Å; L683-L757 HydrophobicContact CD2-CD2 3.64Å; L683-Y760 HydrophobicContact CD1-CD2 3.84Å; L683-Y760 HydrophobicContact CD1-CE2 4.5Å; L683-Y760 HydrophobicContact CD1-CG 3.86Å
684F94.5Very high93.6Very high28 Ų2863.3 Ų63.312%0.12331%0.309CS..Hα-helixtrans-71.9-41.3177.5-62.8-27.4000112.1F664 L667 Y668 L680 E682 Y686 M687 Q688 V694 I697F664-F684 HydrophobicContact CD1-CD2 4.25Å; F664-F684 AromaticContact CD1-CE2 3.67Å; F664-F684 HydrophobicContact CD1-CE2 3.67Å; F664-F684 HydrophobicContact CD1-CZ 4.05Å; F664-F684 HydrophobicContact CE1-CD1 4.4Å; F664-F684 AromaticContact CE1-CD2 3.78Å; F664-F684 HydrophobicContact CE1-CD2 3.78Å; F664-F684 HydrophobicContact CE1-CE1 4.13Å; F664-F684 AromaticContact CE1-CE2 3.46Å; F664-F684 HydrophobicContact CE1-CE2 3.46Å; F664-F684 VanDerWaalsContact CE1-CE2 3.46Å; F664-F684 HydrophobicContact CE1-CG 4.25Å; F664-F684 AromaticContact CE1-CZ 3.65Å; F664-F684 HydrophobicContact CE1-CZ 3.65Å; F664-F684 HydrophobicContact CZ-CZ 4.36Å; L667-F684 HydrophobicContact CD2-CZ 4Å; Y668-F684 HydrophobicContact CE2-CE2 4.07Å; Y668-F684 AromaticContact CZ-CE2 3.92Å; Y668-F684 WeakPolarHBondContact OH-CD2 3.38Å; L680-F684 HydrophobicContact CB-CE2 4.14Å; L680-F684 HydrophobicContact CD2-CZ 4.07Å; L680-F684 WeakPolarHBondContact O-CB 3.34Å; L680-F684 WeakPolarHBondContact O-CD2 3.49Å; L680-F684 WeakPolarHBondContact O-CG 3.44Å; L680-F684 PolarHBondContact O-N 2.91Å; E682-F684 VanDerWaalsContact C-N 3.33Å; E682-F684 PolarHBondContact O-N 3.38Å; F684-Y686 VanDerWaalsContact C-N 3.32Å; F684-Y686 PolarHBondContact O-N 2.97Å; F684-M687 PolarHBondContact O-N 3.43Å; F684-Q688 VanDerWaalsContact O-CB 3.24Å; F684-Q688 WeakPolarHBondContact O-CB 3.38Å; F684-Q688 PolarHBondContact O-N 2.92Å; F684-V694 HydrophobicContact CD1-CB 4.08Å; F684-V694 HydrophobicContact CD1-CG1 4.47Å; F684-V694 HydrophobicContact CD1-CG2 3.69Å; F684-V694 HydrophobicContact CE1-CB 4.18Å; F684-V694 HydrophobicContact CE1-CG1 4.06Å; F684-V694 HydrophobicContact CE1-CG2 3.96Å; F684-I697 HydrophobicContact CE1-CD1 4.42Å; F684-I697 HydrophobicContact CZ-CD1 4.09Å
685V94.5Very high93.7Very high99 Ų9962.2 Ų62.260%0.630%0.298SS*.Hα-helixtrans-61.3-42171.7169.60000110.9D681 E682 Q688 R689D681-V685 WeakPolarHBondContact O-CB 3.13Å; D681-V685 VanDerWaalsContact O-CG2 3.3Å; D681-V685 WeakPolarHBondContact O-CG2 3.4Å; D681-V685 PolarHBondContact O-N 2.69Å; E682-V685 PolarHBondContact O-N 2.98Å; V685-Q688 PolarHBondContact O-N 2.97Å; V685-R689 VanDerWaalsContact O-CB 3.26Å; V685-R689 WeakPolarHBondContact O-CB 3.16Å; V685-R689 PolarHBondContact O-N 2.56Å
686Y96Very high93.7Very high5 Ų563.1 Ų63.12%0.0230%0.297CS..Hα-helixtrans-60.4-50.3175.8172.2-91.6000112.6E682 L683 F684 Q688 R689 R690 P759 Y760 E763E682-Y686 WeakPolarHBondContact O-CB 3.47Å; E682-Y686 PolarHBondContact O-N 3.15Å; L683-Y686 HydrophobicContact CD1-CD1 4.44Å; L683-Y686 WeakPolarHBondContact O-CB 3.14Å; L683-Y686 PolarHBondContact O-N 3.15Å; F684-Y686 VanDerWaalsContact C-N 3.32Å; F684-Y686 PolarHBondContact O-N 2.97Å; Y686-Q688 VanDerWaalsContact C-N 3.31Å; Y686-Q688 PolarHBondContact O-N 3.2Å; Y686-R689 WeakPolarHBondContact O-CB 3.41Å; Y686-R689 PolarHBondContact O-N 2.89Å; Y686-R690 VanDerWaalsContact CE1-CD 3.45Å; Y686-R690 PolarHBondContact O-N 3.45Å; Y686-R690 WeakPolarHBondContact OH-CD 3.3Å; Y686-R690 PolarHBondContact OH-NE 3.11Å; Y686-R690 VanDerWaalsContact OH-NE 3.14Å; Y686-P759 HydrophobicContact CE1-CB 4.26Å; Y686-P759 PolarHBondContact OH-O 3.09Å; Y686-Y760 AromaticContact CD1-CD2 3.71Å; Y686-Y760 HydrophobicContact CD1-CD2 3.71Å; Y686-Y760 HydrophobicContact CD1-CG 4.4Å; Y686-Y760 AromaticContact CD2-CD2 3.83Å; Y686-Y760 HydrophobicContact CD2-CD2 3.83Å; Y686-Y760 HydrophobicContact CD2-CE2 4.41Å; Y686-Y760 HydrophobicContact CE1-CD2 4.1Å; Y686-Y760 HydrophobicContact CE1-CG 4.44Å; Y686-Y760 HydrophobicContact CE2-CD2 4.18Å; Y686-Y760 AromaticContact CG-CD2 3.61Å; Y686-Y760 HydrophobicContact CG-CD2 3.61Å; Y686-Y760 HydrophobicContact CG-CE2 4.28Å; Y686-Y760 PolarHBondContact OH-N 3.12Å; Y686-E763 HydrophobicContact CE2-CB 3.88Å; Y686-E763 HydrophobicContact CE2-CG 4.05Å; Y686-E763 WeakPolarHBondContact CE2-OE1 3.41Å; Y686-E763 VanDerWaalsContact CE2-OE2 3.23Å; Y686-E763 WeakPolarHBondContact CE2-OE2 3.36Å; Y686-E763 PolarHBondContact OH-OE2 3.12Å
687M95.2Very high93.6Very high5 Ų562.9 Ų62.93%0.02530%0.296CS..Hα-helixtrans-67.2-33.2178.8-73.5-164.870.500111.9L683 F684 G691 T692 V694 Y756L683-M687 HydrophobicContact CD1-CG 4.31Å; L683-M687 HydrophobicContact CD1-SD 4.39Å; L683-M687 WeakPolarHBondContact O-CB 3.49Å; L683-M687 VanDerWaalsContact O-CG 3.31Å; L683-M687 WeakPolarHBondContact O-CG 3.24Å; L683-M687 PolarHBondContact O-N 2.87Å; F684-M687 PolarHBondContact O-N 3.43Å; M687-G691 PolarHBondContact O-N 3.32Å; M687-T692 VanDerWaalsContact CE-O 3.29Å; M687-T692 WeakPolarHBondContact CE-O 3.11Å; M687-T692 CarbonylContact O-C 3.45Å; M687-T692 PolarHBondContact O-N 3.27Å; M687-V694 HydrophobicContact CB-CG2 4.17Å; M687-V694 HydrophobicContact CE-CG2 3.99Å; M687-V694 HydrophobicContact CG-CG2 4.4Å; M687-V694 HydrophobicContact SD-CG2 3.49Å; M687-V694 WeakPolarHBondContact SD-CG2 3.26Å; M687-Y756 HydrophobicContact CE-CD1 3.58Å; M687-Y756 HydrophobicContact CE-CE1 4.27Å; M687-Y756 HydrophobicContact CE-CG 4.26Å; M687-Y756 HydrophobicContact SD-CD1 3.74Å; M687-Y756 HydrophobicContact SD-CG 4.38Å
688Q94.6Very high93.7Very high113 Ų11357.3 Ų57.353%0.52827%0.273SS..Hα-helixtrans-69-42.4171.4-17858.588.200112.3F684 V685 Y686 R690 G691F684-Q688 VanDerWaalsContact O-CB 3.24Å; F684-Q688 WeakPolarHBondContact O-CB 3.38Å; F684-Q688 PolarHBondContact O-N 2.92Å; V685-Q688 PolarHBondContact O-N 2.97Å; Y686-Q688 VanDerWaalsContact C-N 3.31Å; Y686-Q688 PolarHBondContact O-N 3.2Å; Q688-R690 VanDerWaalsContact C-N 3.31Å; Q688-R690 PolarHBondContact O-N 2.78Å; Q688-G691 PolarHBondContact O-N 3.49Å
689R94.8Very high93.7Very high172 Ų17254.3 Ų54.365%0.64926%0.26SS*.Hα-helixtrans-59.2-40.4175.9179.7173.783.2-163.16.8111.8V685 Y686 G691 E763V685-R689 VanDerWaalsContact O-CB 3.26Å; V685-R689 WeakPolarHBondContact O-CB 3.16Å; V685-R689 PolarHBondContact O-N 2.56Å; Y686-R689 WeakPolarHBondContact O-CB 3.41Å; Y686-R689 PolarHBondContact O-N 2.89Å; R689-G691 PolarHBondContact O-N 3.44Å; R689-E763 IonicContact CZ-OE1 3.91Å; R689-E763 IonicContact NH2-OE1 2.65Å; R689-E763 PolarHBondContact NH2-OE1 3.25Å
690R92.9Very high93.5Very high96 Ų9654.2 Ų54.236%0.36226%0.26SS..THydrogen-bonded Turntrans-81.12.1176.4-71.6171.961.4-94.4-7.8114.2Y686 Q688 T692 P759 E763Y686-R690 VanDerWaalsContact CE1-CD 3.45Å; Y686-R690 PolarHBondContact O-N 3.45Å; Y686-R690 WeakPolarHBondContact OH-CD 3.3Å; Y686-R690 PolarHBondContact OH-NE 3.11Å; Y686-R690 VanDerWaalsContact OH-NE 3.14Å; Q688-R690 VanDerWaalsContact C-N 3.31Å; Q688-R690 PolarHBondContact O-N 2.78Å; R690-T692 VanDerWaalsContact C-N 3.28Å; R690-T692 PolarHBondContact O-N 3.21Å; R690-P759 VanDerWaalsContact CZ-CB 3.4Å; R690-P759 VanDerWaalsContact NH2-CB 3.27Å; R690-E763 IonicContact NE-OE2 2.73Å
691G94Very high93.3Very high15 Ų1556.4 Ų56.416%0.15528%0.278CS..THydrogen-bonded Turntrans74.715.1174.800000115Q462 M687 Q688 R689 P693Q462-G691 PolarHBondContact NE2-O 2.99Å; M687-G691 PolarHBondContact O-N 3.32Å; Q688-G691 PolarHBondContact O-N 3.49Å; R689-G691 PolarHBondContact O-N 3.44Å; G691-P693 WeakPolarHBondContact O-CD 3.45Å
692T93.1Very high93.1Very high69 Ų6962.4 Ų62.442%0.42330%0.301SS..  trans-120.659.3175.660.50000110.3M687 R690M687-T692 VanDerWaalsContact CE-O 3.29Å; M687-T692 WeakPolarHBondContact CE-O 3.11Å; M687-T692 CarbonylContact O-C 3.45Å; M687-T692 PolarHBondContact O-N 3.27Å; R690-T692 VanDerWaalsContact C-N 3.28Å; R690-T692 PolarHBondContact O-N 3.21Å
693P92.2Very high92.9Very high29 Ų2963.4 Ų63.419%0.18831%0.306CS..  trans-60.7156.7-175.226.1-35.3000112.8G691 N695G691-P693 WeakPolarHBondContact O-CD 3.45Å; P693-N695 PolarHBondContact O-N 3.38Å
694V91.2Very high92.8Very high12 Ų1264.4 Ų64.47%0.07331%0.312CS..  trans-77.772.2-176.7-178.60000110.4F660 F664 F684 M687 R696 I697 Y756F660-V694 WeakPolarHBondContact CE2-O 3.35Å; F664-V694 HydrophobicContact CE2-CG1 4.35Å; F664-V694 HydrophobicContact CZ-CB 4.07Å; F664-V694 HydrophobicContact CZ-CG1 3.83Å; F664-V694 WeakPolarHBondContact CZ-O 3.26Å; F684-V694 HydrophobicContact CD1-CB 4.08Å; F684-V694 HydrophobicContact CD1-CG1 4.47Å; F684-V694 HydrophobicContact CD1-CG2 3.69Å; F684-V694 HydrophobicContact CE1-CB 4.18Å; F684-V694 HydrophobicContact CE1-CG1 4.06Å; F684-V694 HydrophobicContact CE1-CG2 3.96Å; M687-V694 HydrophobicContact CB-CG2 4.17Å; M687-V694 HydrophobicContact CE-CG2 3.99Å; M687-V694 HydrophobicContact CG-CG2 4.4Å; M687-V694 HydrophobicContact SD-CG2 3.49Å; M687-V694 WeakPolarHBondContact SD-CG2 3.26Å; V694-R696 PolarHBondContact O-N 3.48Å; V694-I697 HydrophobicContact CG1-CD1 3.76Å; V694-Y756 HydrophobicContact CB-CE1 4.45Å; V694-Y756 HydrophobicContact CG1-CD1 4.42Å; V694-Y756 HydrophobicContact CG1-CE1 3.92Å; V694-Y756 HydrophobicContact CG2-CD1 4Å; V694-Y756 HydrophobicContact CG2-CE1 4.11Å
695N89Confident92.8Very high78 Ų7863.3 Ų63.342%0.41731%0.307SS..SBendtrans-65.2-7.2179.8-67.2-17.9000114.2N458 F660 P693N458-N695 PolarHBondContact OD1-ND2 3Å; F660-N695 WeakPolarHBondContact CE2-O 3.33Å; P693-N695 PolarHBondContact O-N 3.38Å
696R90.1Very high92.8Very high157 Ų15759.4 Ų59.459%0.59228%0.283SS*.SBendtrans-164.9134.4171.4-175.2175.5175.4-177.30.7109.9V694 Y756V694-R696 PolarHBondContact O-N 3.48Å; R696-Y756 PolarHBondContact O-OH 2.96Å
697I92.4Very high92.9Very high1 Ų159.1 Ų59.11%0.00528%0.282CS..  trans-70.4136.4171-57.2-58.6000109.8Q663 F664 L667 F684 V694 V704Q663-I697 HydrophobicContact CB-CB 4.05Å; Q663-I697 HydrophobicContact CB-CG1 3.95Å; F664-I697 HydrophobicContact CD1-CD1 4.24Å; F664-I697 HydrophobicContact CD2-CD1 3.59Å; F664-I697 HydrophobicContact CD2-CG1 3.47Å; F664-I697 VanDerWaalsContact CD2-CG1 3.47Å; F664-I697 HydrophobicContact CE1-CD1 4.05Å; F664-I697 HydrophobicContact CE2-CD1 3.35Å; F664-I697 HydrophobicContact CE2-CG1 3.54Å; F664-I697 HydrophobicContact CG-CD1 4.04Å; F664-I697 HydrophobicContact CG-CG1 4.18Å; F664-I697 HydrophobicContact CZ-CD1 3.61Å; F664-I697 HydrophobicContact CZ-CG1 4.32Å; L667-I697 HydrophobicContact CD2-CD1 3.8Å; L667-I697 HydrophobicContact CD2-CG2 4.07Å; F684-I697 HydrophobicContact CE1-CD1 4.42Å; F684-I697 HydrophobicContact CZ-CD1 4.09Å; V694-I697 HydrophobicContact CG1-CD1 3.76Å; I697-V704 HydrophobicContact CG2-CG1 3.62Å; I697-V704 HydrophobicContact CG2-CG2 4.34Å
698P93.2Very high92.9Very high9 Ų959.8 Ų59.86%0.05829%0.285CS..  trans-66.8145.2174-20.534.9000112.1L705 L707 Q752 Y756P698-L705 HydrophobicContact CB-CB 4.06Å; P698-L705 HydrophobicContact CB-CD2 4Å; P698-L705 WeakPolarHBondContact O-CB 3.36Å; P698-L705 PolarHBondContact O-N 3.29Å; P698-L707 HydrophobicContact CG-CD2 4.25Å; P698-Q752 HydrophobicContact CB-CG 3.94Å; P698-Q752 HydrophobicContact CG-CG 4.4Å; P698-Y756 HydrophobicContact CG-CD2 3.81Å; P698-Y756 HydrophobicContact CG-CE1 4.42Å; P698-Y756 HydrophobicContact CG-CE2 3.33Å
699I92.9Very high93Very high65 Ų6557.2 Ų57.233%0.33327%0.272SS..EExtended strand (participates in β ladder)trans-123.4131.8178.5-66.4175.6000107.9Q703I699-Q703 CarbonylContact C-O 3.35Å; I699-Q703 VanDerWaalsContact CA-O 3.23Å; I699-Q703 WeakPolarHBondContact CA-O 3.42Å; I699-Q703 VanDerWaalsContact CG2-O 3.28Å; I699-Q703 WeakPolarHBondContact CG2-O 3.33Å
700M92.8Very high93.1Very high13 Ų1349 Ų496%0.06424%0.241CC..EExtended strand (participates in β ladder)trans-135.7142.1175.5-160.7169.9-44.500109.8K702 Q703 L705 L738 T748 L749M700-K702 PolarHBondContact O-N 3.22Å; M700-K702 VanDerWaalsContact O-N 3.09Å; M700-Q703 PolarHBondContact N-O 3.21Å; M700-Q703 CarbonylContact O-C 3.57Å; M700-Q703 WeakPolarHBondContact O-CA 3.38Å; M700-Q703 PolarHBondContact O-N 2.86Å; M700-L705 HydrophobicContact CB-CD1 4.44Å; M700-L705 HydrophobicContact CE-CD1 4.12Å; M700-L705 HydrophobicContact CE-CD2 3.96Å; M700-L738 HydrophobicContact CG-CD1 4.45Å; M700-L738 HydrophobicContact SD-CD1 3.78Å; M700-T748 HydrophobicContact CE-CG2 3.53Å; M700-T748 HydrophobicContact SD-CG2 4.33Å; M700-L749 HydrophobicContact CE-CD2 3.45Å; M700-L749 VanDerWaalsContact CE-CD2 3.45Å; M700-L749 HydrophobicContact CE-CG 3.76Å; M700-L749 HydrophobicContact SD-CD2 3.94Å; M700-L749 HydrophobicContact SD-CG 4Å
701A91.1Very high93.4Very high46 Ų4645 Ų4538%0.3823%0.227SC..THydrogen-bonded Turntrans54.627-176.300000115Q703 L738 I742A701-Q703 PolarHBondContact O-N 3.23Å; A701-L738 HydrophobicContact CB-CD2 4.01Å; A701-I742 HydrophobicContact CB-CD1 3.69Å
702K89.9Confident93.5Very high192 Ų19247.7 Ų47.784%0.83524%0.235SC*.THydrogen-bonded Turntrans69-7.5-167.5-51.2176.5-178173.60115.8M700M700-K702 PolarHBondContact O-N 3.22Å; M700-K702 VanDerWaalsContact O-N 3.09Å
703Q90.5Very high93.7Very high128 Ų12845.4 Ų45.460%0.59822%0.22SC*.EExtended strand (participates in β ladder)trans-86.9156173.6-61.5-61.6-4.400111.8I699 M700 A701 L705I699-Q703 CarbonylContact C-O 3.35Å; I699-Q703 VanDerWaalsContact CA-O 3.23Å; I699-Q703 WeakPolarHBondContact CA-O 3.42Å; I699-Q703 VanDerWaalsContact CG2-O 3.28Å; I699-Q703 WeakPolarHBondContact CG2-O 3.33Å; M700-Q703 PolarHBondContact N-O 3.21Å; M700-Q703 CarbonylContact O-C 3.57Å; M700-Q703 WeakPolarHBondContact O-CA 3.38Å; M700-Q703 PolarHBondContact O-N 2.86Å; A701-Q703 PolarHBondContact O-N 3.23Å; Q703-L705 PolarHBondContact O-N 3.05Å
704V93.6Very high94Very high21 Ų2144 Ų4413%0.12721%0.211CC..EExtended strand (participates in β ladder)trans-61.7129.1163.9160.50000108.4Q663 Q666 L667 I670 I697 D706Q663-V704 HydrophobicContact CB-CG2 4.46Å; Q666-V704 HydrophobicContact CB-CG2 4.19Å; Q666-V704 HydrophobicContact CG-CB 4.35Å; Q666-V704 HydrophobicContact CG-CG2 4.31Å; L667-V704 HydrophobicContact CB-CG1 3.9Å; L667-V704 HydrophobicContact CD1-CG1 4.03Å; L667-V704 HydrophobicContact CG-CG1 4.41Å; I670-V704 HydrophobicContact CD1-CB 4.23Å; I670-V704 HydrophobicContact CD1-CG1 3.86Å; I697-V704 HydrophobicContact CG2-CG1 3.62Å; I697-V704 HydrophobicContact CG2-CG2 4.34Å; V704-D706 PolarHBondContact O-N 3.01Å
705L95Very high94.3Very high4 Ų445.1 Ų45.12%0.02122%0.218CC..PPolyproline II helixtrans-74.8119.2176.8177.663000109P698 M700 Q703 L707 L710 L736 L749 Q752P698-L705 HydrophobicContact CB-CB 4.06Å; P698-L705 HydrophobicContact CB-CD2 4Å; P698-L705 WeakPolarHBondContact O-CB 3.36Å; P698-L705 PolarHBondContact O-N 3.29Å; M700-L705 HydrophobicContact CB-CD1 4.44Å; M700-L705 HydrophobicContact CE-CD1 4.12Å; M700-L705 HydrophobicContact CE-CD2 3.96Å; Q703-L705 PolarHBondContact O-N 3.05Å; L705-L707 PolarHBondContact O-N 2.93Å; L705-L710 HydrophobicContact CD2-CD2 3.96Å; L705-L710 HydrophobicContact CG-CD2 4.34Å; L705-L736 HydrophobicContact CD1-CD1 4.23Å; L705-L749 HydrophobicContact CD1-CD2 3.8Å; L705-L749 HydrophobicContact CD2-CD2 4.46Å; L705-Q752 HydrophobicContact CD2-CB 3.78Å; L705-Q752 HydrophobicContact CD2-CG 3.68Å
706D95.3Very high94.7Very high17 Ų1745.6 Ų45.69%0.09123%0.232CC..PPolyproline II helixtrans-62.1116.4173.2-164.5-20.4000110.8I670 R676 V704 Y708 E709 L710 L736I670-D706 HydrophobicContact CD1-CB 4.49Å; I670-D706 HydrophobicContact CG2-CB 4.47Å; I670-D706 WeakPolarHBondContact CG2-OD2 3.28Å; R676-D706 IonicContact CZ-OD1 3.92Å; R676-D706 IonicContact CZ-OD2 3.21Å; R676-D706 IonicContact NH1-OD1 2.84Å; R676-D706 PolarHBondContact NH1-OD1 2.86Å; R676-D706 IonicContact NH1-OD2 3.81Å; R676-D706 PolarHBondContact NH1-OD2 3.39Å; R676-D706 IonicContact NH2-OD1 2.9Å; R676-D706 IonicContact NH2-OD2 2.7Å; R676-D706 PolarHBondContact NH2-OD2 3.29Å; V704-D706 PolarHBondContact O-N 3.01Å; D706-Y708 WeakPolarHBondContact OD1-CB 3.46Å; D706-Y708 PolarHBondContact OD1-N 3.17Å; D706-E709 HydrophobicContact CB-CB 4.16Å; D706-E709 PolarHBondContact OD1-N 3.02Å; D706-E709 VanDerWaalsContact OD1-N 3.08Å; D706-E709 WeakPolarHBondContact OD2-CB 3.44Å; D706-L710 WeakPolarHBondContact O-CB 3.21Å; D706-L710 PolarHBondContact O-N 3.46Å; D706-L736 HydrophobicContact CB-CD2 4.32Å
707L96.5Very high95Very high0 Ų041.3 Ų41.30%022%0.216CC..Hα-helixtrans-87.1-23.3177.1-61.6-175.3000112.6L667 L680 L683 P698 L705 F711 L757L667-L707 HydrophobicContact CD2-CD1 4.05Å; L667-L707 HydrophobicContact CD2-CG 4.14Å; L680-L707 HydrophobicContact CD2-CB 4.3Å; L683-L707 HydrophobicContact CD2-CB 4.36Å; L683-L707 HydrophobicContact CD2-CD1 4.32Å; P698-L707 HydrophobicContact CG-CD2 4.25Å; L705-L707 PolarHBondContact O-N 2.93Å; L707-F711 WeakPolarHBondContact O-CB 3.45Å; L707-F711 PolarHBondContact O-N 3.35Å; L707-L757 HydrophobicContact CB-CD2 4.49Å
708Y96.3Very high95.2Very high19 Ų1943.2 Ų43.28%0.07524%0.237CC..Hα-helixtrans-75.9-55.6176.8172.4-106.8000109.7D673 K675 R676 F679 D706 L710 F711 Q712D673-Y708 HydrophobicContact CB-CE1 4.33Å; K675-Y708 HydrophobicContact CB-CE2 4.29Å; K675-Y708 WeakPolarHBondContact CB-OH 3.5Å; R676-Y708 HydrophobicContact CB-CD1 3.99Å; R676-Y708 HydrophobicContact CB-CE1 4.27Å; R676-Y708 HydrophobicContact CB-CG 4.13Å; R676-Y708 HydrophobicContact CG-CD1 4.43Å; R676-Y708 HydrophobicContact CG-CG 4.39Å; F679-Y708 HydrophobicContact CB-CD2 3.73Å; F679-Y708 HydrophobicContact CB-CE2 4.09Å; F679-Y708 AromaticContact CD1-CD2 3.65Å; F679-Y708 HydrophobicContact CD1-CD2 3.65Å; F679-Y708 HydrophobicContact CD1-CG 4.28Å; F679-Y708 HydrophobicContact CD2-CD2 4.46Å; F679-Y708 HydrophobicContact CE1-CD2 4.38Å; F679-Y708 AromaticContact CG-CD2 3.69Å; F679-Y708 HydrophobicContact CG-CD2 3.69Å; F679-Y708 HydrophobicContact CG-CE2 4.37Å; D706-Y708 WeakPolarHBondContact OD1-CB 3.46Å; D706-Y708 PolarHBondContact OD1-N 3.17Å; Y708-L710 VanDerWaalsContact C-N 3.32Å; Y708-L710 PolarHBondContact O-N 2.91Å; Y708-F711 WeakPolarHBondContact O-CA 3.37Å; Y708-F711 WeakPolarHBondContact O-CB 3.21Å; Y708-F711 PolarHBondContact O-N 3.26Å; Y708-Q712 HydrophobicContact CD2-CG 4.49Å; Y708-Q712 HydrophobicContact CE1-CG 4.33Å; Y708-Q712 HydrophobicContact CE2-CG 4.21Å; Y708-Q712 VanDerWaalsContact CE2-NE2 3.33Å; Y708-Q712 WeakPolarHBondContact O-CG 3.42Å; Y708-Q712 PolarHBondContact O-N 3.29Å
709E96.4Very high95.3Very high58 Ų5842.8 Ų42.827%0.27123%0.234SC..Hα-helixtrans-65.8-35.8-178.7-172.955.7-155.900111.8D706 F711 Q712 L713 L736D706-E709 HydrophobicContact CB-CB 4.16Å; D706-E709 PolarHBondContact OD1-N 3.02Å; D706-E709 VanDerWaalsContact OD1-N 3.08Å; D706-E709 WeakPolarHBondContact OD2-CB 3.44Å; E709-F711 VanDerWaalsContact C-N 3.29Å; E709-F711 PolarHBondContact O-N 3.02Å; E709-Q712 PolarHBondContact O-N 3.21Å; E709-L713 HydrophobicContact CG-CD1 3.79Å; E709-L713 HydrophobicContact CG-CG 4.19Å; E709-L713 WeakPolarHBondContact O-CB 3.42Å; E709-L713 VanDerWaalsContact O-CG 3.28Å; E709-L713 WeakPolarHBondContact O-CG 3.4Å; E709-L713 PolarHBondContact O-N 2.87Å; E709-L713 WeakPolarHBondContact OE1-CD1 3.49Å; E709-L713 WeakPolarHBondContact OE1-CD2 3.21Å; E709-L713 WeakPolarHBondContact OE1-CG 3.26Å; E709-L736 HydrophobicContact CB-CD2 3.91Å; E709-L736 HydrophobicContact CG-CD2 3.86Å
710L97.6Very high95.6Very high0 Ų039.7 Ų39.70%022%0.218CC..Hα-helixtrans-63.6-33.7172.3173.859.1000112.2L705 D706 Y708 V714 I732 L736 L749 Y753 L757L705-L710 HydrophobicContact CD2-CD2 3.96Å; L705-L710 HydrophobicContact CG-CD2 4.34Å; D706-L710 WeakPolarHBondContact O-CB 3.21Å; D706-L710 PolarHBondContact O-N 3.46Å; Y708-L710 VanDerWaalsContact C-N 3.32Å; Y708-L710 PolarHBondContact O-N 2.91Å; L710-V714 HydrophobicContact CD1-CG2 4.1Å; L710-V714 WeakPolarHBondContact O-CG2 3.41Å; L710-I732 HydrophobicContact CD1-CG2 3.71Å; L710-L736 HydrophobicContact CB-CD1 4.26Å; L710-L736 HydrophobicContact CB-CD2 4.17Å; L710-L736 HydrophobicContact CD1-CD1 4.09Å; L710-L749 HydrophobicContact CD1-CD2 4.23Å; L710-L749 HydrophobicContact CD2-CD2 4.38Å; L710-Y753 HydrophobicContact CD1-CD2 3.91Å; L710-Y753 HydrophobicContact CD2-CD2 4.32Å; L710-Y753 HydrophobicContact CG-CD2 3.8Å; L710-Y753 HydrophobicContact CG-CE2 4.37Å; L710-Y753 WeakPolarHBondContact O-CE2 3.47Å; L710-L757 HydrophobicContact CB-CD1 4.18Å; L710-L757 HydrophobicContact CD2-CD1 3.93Å; L710-L757 HydrophobicContact CG-CD1 3.76Å
711F97.7Very high95.8Very high13 Ų1340 Ų406%0.05722%0.22CC..Hα-helixtrans-67.4-53.1173.5-176.4-106.2000110.7F679 L707 Y708 E709 L713 V714 V715 Y753 L757 Y760 E761 L765F679-F711 HydrophobicContact CD2-CD1 4.2Å; F679-F711 HydrophobicContact CD2-CE1 4.47Å; F679-F711 HydrophobicContact CE1-CB 4.31Å; F679-F711 HydrophobicContact CE2-CB 4.09Å; F679-F711 AromaticContact CE2-CD1 3.36Å; F679-F711 HydrophobicContact CE2-CD1 3.36Å; F679-F711 HydrophobicContact CE2-CD2 4.24Å; F679-F711 AromaticContact CE2-CE1 3.72Å; F679-F711 HydrophobicContact CE2-CE1 3.72Å; F679-F711 AromaticContact CE2-CG 3.64Å; F679-F711 HydrophobicContact CE2-CG 3.64Å; F679-F711 HydrophobicContact CE2-CZ 4.3Å; F679-F711 HydrophobicContact CZ-CB 3.57Å; F679-F711 AromaticContact CZ-CD1 3.79Å; F679-F711 HydrophobicContact CZ-CD1 3.79Å; F679-F711 HydrophobicContact CZ-CD2 4.18Å; F679-F711 HydrophobicContact CZ-CE1 4.5Å; F679-F711 AromaticContact CZ-CG 3.58Å; F679-F711 HydrophobicContact CZ-CG 3.58Å; L707-F711 WeakPolarHBondContact O-CB 3.45Å; L707-F711 PolarHBondContact O-N 3.35Å; Y708-F711 WeakPolarHBondContact O-CA 3.37Å; Y708-F711 WeakPolarHBondContact O-CB 3.21Å; Y708-F711 PolarHBondContact O-N 3.26Å; E709-F711 VanDerWaalsContact C-N 3.29Å; E709-F711 PolarHBondContact O-N 3.02Å; F711-L713 PolarHBondContact O-N 2.86Å; F711-V714 PolarHBondContact O-N 2.81Å; F711-V715 HydrophobicContact CD1-CG2 4.17Å; F711-V715 HydrophobicContact CD2-CG2 4.05Å; F711-V715 HydrophobicContact CE1-CG2 3.89Å; F711-V715 HydrophobicContact CE2-CG2 3.75Å; F711-V715 HydrophobicContact CG-CG2 4.26Å; F711-V715 HydrophobicContact CZ-CG2 3.68Å; F711-V715 WeakPolarHBondContact O-CB 3.32Å; F711-V715 WeakPolarHBondContact O-CG2 3.5Å; F711-V715 PolarHBondContact O-N 2.85Å; F711-Y753 WeakPolarHBondContact CD2-OH 3.39Å; F711-L757 HydrophobicContact CB-CD1 4.12Å; F711-L757 HydrophobicContact CB-CD2 4.14Å; F711-L757 HydrophobicContact CD2-CB 4.35Å; F711-L757 HydrophobicContact CD2-CD2 4.2Å; F711-Y760 HydrophobicContact CD2-CD1 4.41Å; F711-Y760 HydrophobicContact CE1-CD1 4.49Å; F711-Y760 HydrophobicContact CE1-CE1 4.19Å; F711-Y760 AromaticContact CE2-CD1 3.67Å; F711-Y760 HydrophobicContact CE2-CD1 3.67Å; F711-Y760 HydrophobicContact CE2-CE1 4.18Å; F711-Y760 AromaticContact CZ-CD1 3.7Å; F711-Y760 HydrophobicContact CZ-CD1 3.7Å; F711-Y760 AromaticContact CZ-CE1 3.76Å; F711-Y760 HydrophobicContact CZ-CE1 3.76Å; F711-E761 HydrophobicContact CE2-CB 4.18Å; F711-L765 HydrophobicContact CE1-CD1 4.27Å; F711-L765 HydrophobicContact CZ-CD1 3.71Å; F711-L765 HydrophobicContact CZ-CG 4.5Å
712Q96.9Very high96.1Very high70 Ų7040.4 Ų40.433%0.32722%0.215SC..Hα-helixtrans-57.5-50.7-178.9-61.2-59.8-10.300112.1Y708 E709 V714 V715 A716Y708-Q712 HydrophobicContact CD2-CG 4.49Å; Y708-Q712 HydrophobicContact CE1-CG 4.33Å; Y708-Q712 HydrophobicContact CE2-CG 4.21Å; Y708-Q712 VanDerWaalsContact CE2-NE2 3.33Å; Y708-Q712 WeakPolarHBondContact O-CG 3.42Å; Y708-Q712 PolarHBondContact O-N 3.29Å; E709-Q712 PolarHBondContact O-N 3.21Å; Q712-V714 PolarHBondContact O-N 2.85Å; Q712-V715 PolarHBondContact O-N 2.9Å; Q712-A716 WeakPolarHBondContact O-CB 3.48Å; Q712-A716 PolarHBondContact O-N 3.1Å
713L97.6Very high96.4Very high22 Ų2231.3 Ų31.312%0.11518%0.175CC..Hα-helixtrans-62-26.8-177.2-72.2169.8000114.5E709 F711 R717 I732 L736E709-L713 HydrophobicContact CG-CD1 3.79Å; E709-L713 HydrophobicContact CG-CG 4.19Å; E709-L713 WeakPolarHBondContact O-CB 3.42Å; E709-L713 VanDerWaalsContact O-CG 3.28Å; E709-L713 WeakPolarHBondContact O-CG 3.4Å; E709-L713 PolarHBondContact O-N 2.87Å; E709-L713 WeakPolarHBondContact OE1-CD1 3.49Å; E709-L713 WeakPolarHBondContact OE1-CD2 3.21Å; E709-L713 WeakPolarHBondContact OE1-CG 3.26Å; F711-L713 PolarHBondContact O-N 2.86Å; L713-R717 WeakPolarHBondContact O-CD 3.43Å; L713-R717 WeakPolarHBondContact O-CG 3.47Å; L713-R717 PolarHBondContact O-NH1 2.8Å; L713-I732 HydrophobicContact CB-CD1 3.88Å; L713-I732 WeakPolarHBondContact O-CD1 3.17Å; L713-L736 HydrophobicContact CD1-CD2 4.05Å; L713-L736 HydrophobicContact CD1-CG 3.86Å
714V98.1Very high96.7Very high0 Ų025.2 Ų25.20%015%0.147CC..Hα-helixtrans-88.2-43.4177.7170.80000111L710 F711 Q712 R717 G718 G719 L720 V723 I732 Y753L710-V714 HydrophobicContact CD1-CG2 4.1Å; L710-V714 WeakPolarHBondContact O-CG2 3.41Å; F711-V714 PolarHBondContact O-N 2.81Å; Q712-V714 PolarHBondContact O-N 2.85Å; V714-R717 CarbonylContact O-C 3.52Å; V714-R717 WeakPolarHBondContact O-CA 3.47Å; V714-R717 PolarHBondContact O-N 3.01Å; V714-G718 PolarHBondContact O-N 2.94Å; V714-G719 VanDerWaalsContact CG1-C 3.5Å; V714-G719 WeakPolarHBondContact O-CA 3.49Å; V714-G719 PolarHBondContact O-N 2.91Å; V714-L720 HydrophobicContact CG1-CB 4.43Å; V714-V723 HydrophobicContact CB-CG2 4.37Å; V714-V723 HydrophobicContact CG1-CG2 4Å; V714-V723 HydrophobicContact CG2-CG2 4.37Å; V714-I732 HydrophobicContact CG2-CD1 3.69Å; V714-I732 HydrophobicContact CG2-CG1 4.21Å; V714-I732 HydrophobicContact CG2-CG2 4.37Å; V714-Y753 HydrophobicContact CB-CD2 4.15Å; V714-Y753 HydrophobicContact CB-CE2 3.46Å; V714-Y753 VanDerWaalsContact CB-CE2 3.46Å; V714-Y753 HydrophobicContact CG1-CD2 4.21Å; V714-Y753 HydrophobicContact CG1-CE1 4.3Å; V714-Y753 HydrophobicContact CG1-CE2 3.58Å; V714-Y753 HydrophobicContact CG2-CD2 3.81Å; V714-Y753 HydrophobicContact CG2-CE2 3.63Å
715V97.1Very high96.8Very high35 Ų3527.9 Ų27.921%0.21216%0.16CC..Hα-helixtrans-60.9-46175.6166.70000110.8F711 Q712 R717 G718 L765 L767F711-V715 HydrophobicContact CD1-CG2 4.17Å; F711-V715 HydrophobicContact CD2-CG2 4.05Å; F711-V715 HydrophobicContact CE1-CG2 3.89Å; F711-V715 HydrophobicContact CE2-CG2 3.75Å; F711-V715 HydrophobicContact CG-CG2 4.26Å; F711-V715 HydrophobicContact CZ-CG2 3.68Å; F711-V715 WeakPolarHBondContact O-CB 3.32Å; F711-V715 WeakPolarHBondContact O-CG2 3.5Å; F711-V715 PolarHBondContact O-N 2.85Å; Q712-V715 PolarHBondContact O-N 2.9Å; V715-R717 PolarHBondContact O-N 2.83Å; V715-G718 PolarHBondContact O-N 3.31Å; V715-L765 HydrophobicContact CB-CD1 4.3Å; V715-L765 HydrophobicContact CG1-CD1 3.61Å; V715-L765 HydrophobicContact CG2-CD1 3.63Å; V715-L767 HydrophobicContact CG1-CD1 4.3Å; V715-L767 HydrophobicContact CG2-CD1 4.23Å
716A96.9Very high96.9Very high87 Ų8733.7 Ų33.772%0.71919%0.185SC*.THydrogen-bonded Turntrans-61.5-12.5174.700000114.2Q712Q712-A716 WeakPolarHBondContact O-CB 3.48Å; Q712-A716 PolarHBondContact O-N 3.1Å
717R96.8Very high96.9Very high67 Ų6738.7 Ų38.725%0.25321%0.206SC..THydrogen-bonded Turntrans-104.210.5175-77175.8173.772.59.8113.9L713 V714 V715 E722 V723 L728 E731L713-R717 WeakPolarHBondContact O-CD 3.43Å; L713-R717 WeakPolarHBondContact O-CG 3.47Å; L713-R717 PolarHBondContact O-NH1 2.8Å; V714-R717 CarbonylContact O-C 3.52Å; V714-R717 WeakPolarHBondContact O-CA 3.47Å; V714-R717 PolarHBondContact O-N 3.01Å; V715-R717 PolarHBondContact O-N 2.83Å; R717-E722 WeakPolarHBondContact O-CG 3.42Å; R717-V723 HydrophobicContact CB-CG2 3.57Å; R717-L728 HydrophobicContact CB-CD1 4.01Å; R717-L728 HydrophobicContact CG-CD1 3.97Å; R717-E731 IonicContact CZ-OE2 3.25Å; R717-E731 VanDerWaalsContact CZ-OE2 3.25Å; R717-E731 IonicContact NE-OE2 2.81Å; R717-E731 PolarHBondContact NE-OE2 2.94Å; R717-E731 IonicContact NH2-OE2 2.81Å; R717-E731 PolarHBondContact NH2-OE2 3.4Å
718G96.1Very high96.9Very high42 Ų4240 Ų4043%0.43321%0.213SC..THydrogen-bonded Turntrans89.920.3-179.600000114.5V714 V715 E722V714-G718 PolarHBondContact O-N 2.94Å; V715-G718 PolarHBondContact O-N 3.31Å; G718-E722 WeakPolarHBondContact O-CB 3.31Å
719G97.2Very high96.9Very high0 Ų040 Ų400%021%0.213CC..Hα-helixtrans88.4177.6174.500000114.9V714 V721 E722 V723 E761V714-G719 VanDerWaalsContact CG1-C 3.5Å; V714-G719 WeakPolarHBondContact O-CA 3.49Å; V714-G719 PolarHBondContact O-N 2.91Å; G719-V721 VanDerWaalsContact C-N 3.33Å; G719-V721 PolarHBondContact O-N 3.41Å; G719-E722 PolarHBondContact O-N 3.05Å; G719-V723 PolarHBondContact O-N 3.48Å; G719-V723 VanDerWaalsContact O-N 3.1Å; G719-E761 WeakPolarHBondContact CA-OE1 3.27Å
720L97.6Very high96.8Very high0 Ų047.4 Ų47.40%024%0.238CC..Hα-helixtrans-60.2-42.3-170.2178.165.8000112.7V714 E722 I724 W729 R750 Y753 M754 Y758 E761 L773V714-L720 HydrophobicContact CG1-CB 4.43Å; L720-E722 VanDerWaalsContact C-N 3.32Å; L720-E722 PolarHBondContact O-N 2.9Å; L720-I724 HydrophobicContact CD1-CD1 4.15Å; L720-I724 HydrophobicContact CG-CD1 3.99Å; L720-I724 VanDerWaalsContact O-CG1 3.26Å; L720-I724 WeakPolarHBondContact O-CG1 3.25Å; L720-I724 PolarHBondContact O-N 2.71Å; L720-I724 VanDerWaalsContact O-N 3.11Å; L720-W729 HydrophobicContact CD1-CH2 3.54Å; L720-W729 HydrophobicContact CD1-CZ2 3.54Å; L720-R750 HydrophobicContact CD1-CG 4.4Å; L720-Y753 HydrophobicContact CB-CD1 4.08Å; L720-Y753 HydrophobicContact CB-CE1 4.03Å; L720-Y753 HydrophobicContact CD1-CD1 3.8Å; L720-Y753 HydrophobicContact CD1-CG 3.98Å; L720-Y753 HydrophobicContact CD2-CD1 4.03Å; L720-Y753 HydrophobicContact CG-CD1 4.18Å; L720-M754 HydrophobicContact CD2-CG 3.6Å; L720-Y758 HydrophobicContact CB-CD2 3.83Å; L720-Y758 HydrophobicContact CB-CE2 4.22Å; L720-Y758 HydrophobicContact CD2-CD2 3.39Å; L720-Y758 HydrophobicContact CD2-CE2 4.03Å; L720-Y758 HydrophobicContact CD2-CG 3.73Å; L720-Y758 HydrophobicContact CG-CD2 4.22Å; L720-E761 WeakPolarHBondContact CB-OE2 3.42Å; L720-E761 PolarHBondContact N-OE1 3.38Å; L720-E761 PolarHBondContact N-OE2 3.24Å; L720-L773 HydrophobicContact CD2-CD1 3.66Å; L720-L773 HydrophobicContact CD2-CD2 3.81Å; L720-L773 HydrophobicContact CD2-CG 4.41Å; L720-L773 HydrophobicContact CG-CD1 4.01Å
721V97.1Very high96.7Very high18 Ų1851.3 Ų51.311%0.10926%0.257CS..Hα-helixtrans-63.4-40.9-178.6169.50000111G719 I724 N725 S768 E772 L773 A776G719-V721 VanDerWaalsContact C-N 3.33Å; G719-V721 PolarHBondContact O-N 3.41Å; V721-I724 WeakPolarHBondContact O-CB 3.42Å; V721-I724 PolarHBondContact O-N 3.45Å; V721-N725 VanDerWaalsContact O-CG 3.27Å; V721-N725 PolarHBondContact O-N 3.06Å; V721-N725 PolarHBondContact O-ND2 2.82Å; V721-S768 VanDerWaalsContact CG2-CB 3.41Å; V721-S768 VanDerWaalsContact CG2-OG 3.3Å; V721-S768 WeakPolarHBondContact CG2-OG 3.21Å; V721-E772 HydrophobicContact CG1-CB 4.47Å; V721-E772 HydrophobicContact CG2-CB 4.49Å; V721-L773 HydrophobicContact CG2-CB 3.82Å; V721-L773 HydrophobicContact CG2-CD1 4.08Å; V721-A776 HydrophobicContact CG1-CB 4.05Å
722E97.1Very high96.7Very high56 Ų5650.7 Ų50.726%0.26225%0.254SS..Hα-helixtrans-75.2-37.3-176.9-168.363.8172.500112.4R717 G718 G719 L720 I724 N725 K726R717-E722 WeakPolarHBondContact O-CG 3.42Å; G718-E722 WeakPolarHBondContact O-CB 3.31Å; G719-E722 PolarHBondContact O-N 3.05Å; L720-E722 VanDerWaalsContact C-N 3.32Å; L720-E722 PolarHBondContact O-N 2.9Å; E722-I724 PolarHBondContact O-N 3.2Å; E722-N725 PolarHBondContact O-N 2.82Å; E722-N725 PolarHBondContact OE2-ND2 3.39Å; E722-K726 HydrophobicContact CG-CD 4.05Å; E722-K726 WeakPolarHBondContact O-CB 3.33Å; E722-K726 PolarHBondContact O-N 2.91Å; E722-K726 WeakPolarHBondContact OE1-CD 3.2Å; E722-K726 WeakPolarHBondContact OE1-CE 3.07Å; E722-K726 IonicContact OE1-NZ 2.76Å; E722-K726 PolarHBondContact OE1-NZ 3Å
723V97.6Very high96.6Very high0 Ų047.9 Ų47.90%024%0.241CC..Hα-helixtrans-60.7-32.3169.4172.90000111.9V714 R717 G719 K727 L728 W729 I732V714-V723 HydrophobicContact CB-CG2 4.37Å; V714-V723 HydrophobicContact CG1-CG2 4Å; V714-V723 HydrophobicContact CG2-CG2 4.37Å; R717-V723 HydrophobicContact CB-CG2 3.57Å; G719-V723 PolarHBondContact O-N 3.48Å; G719-V723 VanDerWaalsContact O-N 3.1Å; V723-K727 CarbonylContact O-C 3.55Å; V723-K727 WeakPolarHBondContact O-CA 3.2Å; V723-K727 PolarHBondContact O-N 3.24Å; V723-L728 HydrophobicContact CG1-CB 4.27Å; V723-L728 PolarHBondContact O-N 2.65Å; V723-W729 HydrophobicContact CB-CZ2 4.49Å; V723-W729 HydrophobicContact CG1-CD2 3.74Å; V723-W729 HydrophobicContact CG1-CE3 4.09Å; V723-W729 HydrophobicContact CG1-CG 4.15Å; V723-W729 HydrophobicContact CG1-CH2 4.09Å; V723-W729 HydrophobicContact CG1-CZ2 3.76Å; V723-W729 HydrophobicContact CG1-CZ3 4.25Å; V723-I732 HydrophobicContact CG1-CD1 4.33Å; V723-I732 HydrophobicContact CG1-CG1 3.87Å; V723-I732 HydrophobicContact CG2-CD1 4.3Å
724I96.2Very high96.5Very high1 Ų154.5 Ų54.51%0.00527%0.269CS..Hα-helixtrans-71.5-50.7172.3-69.2168.1000110.7L720 V721 E722 K727 W729 R750 L773 A776 I777 N780L720-I724 HydrophobicContact CD1-CD1 4.15Å; L720-I724 HydrophobicContact CG-CD1 3.99Å; L720-I724 VanDerWaalsContact O-CG1 3.26Å; L720-I724 WeakPolarHBondContact O-CG1 3.25Å; L720-I724 PolarHBondContact O-N 2.71Å; L720-I724 VanDerWaalsContact O-N 3.11Å; V721-I724 WeakPolarHBondContact O-CB 3.42Å; V721-I724 PolarHBondContact O-N 3.45Å; E722-I724 PolarHBondContact O-N 3.2Å; I724-K727 PolarHBondContact O-N 2.91Å; I724-W729 HydrophobicContact CG1-CZ2 3.97Å; I724-R750 HydrophobicContact CD1-CG 4.14Å; I724-L773 HydrophobicContact CD1-CD1 3.48Å; I724-L773 VanDerWaalsContact CD1-CD1 3.48Å; I724-A776 HydrophobicContact CB-CB 4.43Å; I724-A776 HydrophobicContact CG2-CB 3.87Å; I724-I777 HydrophobicContact CD1-CG1 4.34Å; I724-N780 VanDerWaalsContact CG2-ND2 3.26Å; I724-N780 WeakPolarHBondContact CG2-ND2 3.39Å; I724-N780 PolarHBondContact O-ND2 3.4Å
725N96.2Very high96.4Very high76 Ų7655.8 Ų55.841%0.40628%0.283SS..Hα-helixtrans-60.5-53.2-178.1-70.1-24.1000112.4V721 E722 K727 A776V721-N725 VanDerWaalsContact O-CG 3.27Å; V721-N725 PolarHBondContact O-N 3.06Å; V721-N725 PolarHBondContact O-ND2 2.82Å; E722-N725 PolarHBondContact O-N 2.82Å; E722-N725 PolarHBondContact OE2-ND2 3.39Å; N725-K727 PolarHBondContact O-N 3.28Å; N725-A776 WeakPolarHBondContact OD1-CB 3.3Å
726K96.3Very high96.2Very high126 Ų12655.1 Ų55.155%0.54828%0.278SS..THydrogen-bonded Turntrans-76.1-0.6177.6-71.8177.3170.4139.50113.6E722 L728E722-K726 HydrophobicContact CG-CD 4.05Å; E722-K726 WeakPolarHBondContact O-CB 3.33Å; E722-K726 PolarHBondContact O-N 2.91Å; E722-K726 WeakPolarHBondContact OE1-CD 3.2Å; E722-K726 WeakPolarHBondContact OE1-CE 3.07Å; E722-K726 IonicContact OE1-NZ 2.76Å; E722-K726 PolarHBondContact OE1-NZ 3Å; K726-L728 HydrophobicContact CB-CD1 3.78Å; K726-L728 HydrophobicContact CB-CD2 3.85Å; K726-L728 HydrophobicContact CB-CG 3.53Å; K726-L728 HydrophobicContact CD-CD1 4.03Å; K726-L728 PolarHBondContact O-N 2.8Å
727K95.5Very high96.1Very high122 Ų12258.2 Ų58.253%0.5328%0.282SS..THydrogen-bonded Turntrans59.226.2177-57.1169.7-175.4170.20114.2V723 I724 N725 W729 N780V723-K727 CarbonylContact O-C 3.55Å; V723-K727 WeakPolarHBondContact O-CA 3.2Å; V723-K727 PolarHBondContact O-N 3.24Å; I724-K727 PolarHBondContact O-N 2.91Å; N725-K727 PolarHBondContact O-N 3.28Å; K727-W729 PolarHBondContact O-N 2.76Å; K727-N780 WeakPolarHBondContact CE-OD1 3.28Å
728L96.5Very high95.9Very high28 Ų2856 Ų5615%0.14728%0.275CS..THydrogen-bonded Turntrans-72.14.1-169-54.2175.1000115.2R717 V723 K726 R730 E731 I732R717-L728 HydrophobicContact CB-CD1 4.01Å; R717-L728 HydrophobicContact CG-CD1 3.97Å; V723-L728 HydrophobicContact CG1-CB 4.27Å; V723-L728 PolarHBondContact O-N 2.65Å; K726-L728 HydrophobicContact CB-CD1 3.78Å; K726-L728 HydrophobicContact CB-CD2 3.85Å; K726-L728 HydrophobicContact CB-CG 3.53Å; K726-L728 HydrophobicContact CD-CD1 4.03Å; K726-L728 PolarHBondContact O-N 2.8Å; L728-R730 PolarHBondContact O-N 3.13Å; L728-E731 WeakPolarHBondContact CD2-OE1 3.17Å; L728-E731 WeakPolarHBondContact O-CA 3.47Å; L728-E731 WeakPolarHBondContact O-CB 3.48Å; L728-E731 PolarHBondContact O-N 2.82Å; L728-I732 PolarHBondContact O-N 3.19Å
729W95.8Very high95.7Very high19 Ų1957.1 Ų57.17%0.07228%0.275CS..Hα-helixtrans-55.1-26.5-178.2-70.4104.1000115.1L720 V723 I724 K727 E731 I732 T733 A746 L749 R750L720-W729 HydrophobicContact CD1-CH2 3.54Å; L720-W729 HydrophobicContact CD1-CZ2 3.54Å; V723-W729 HydrophobicContact CB-CZ2 4.49Å; V723-W729 HydrophobicContact CG1-CD2 3.74Å; V723-W729 HydrophobicContact CG1-CE3 4.09Å; V723-W729 HydrophobicContact CG1-CG 4.15Å; V723-W729 HydrophobicContact CG1-CH2 4.09Å; V723-W729 HydrophobicContact CG1-CZ2 3.76Å; V723-W729 HydrophobicContact CG1-CZ3 4.25Å; I724-W729 HydrophobicContact CG1-CZ2 3.97Å; K727-W729 PolarHBondContact O-N 2.76Å; W729-E731 VanDerWaalsContact C-N 3.32Å; W729-I732 HydrophobicContact CE3-CB 4.28Å; W729-I732 HydrophobicContact CE3-CG1 4.16Å; W729-I732 HydrophobicContact CE3-CG2 4.43Å; W729-I732 HydrophobicContact CZ3-CG1 4.46Å; W729-I732 HydrophobicContact CZ3-CG2 4.43Å; W729-T733 WeakPolarHBondContact O-CB 3.47Å; W729-T733 PolarHBondContact O-N 3.38Å; W729-T733 PolarHBondContact O-OG1 2.98Å; W729-A746 HydrophobicContact CB-CB 3.38Å; W729-A746 HydrophobicContact CG-CB 3.82Å; W729-L749 HydrophobicContact CE3-CB 3.8Å; W729-L749 HydrophobicContact CE3-CD1 4.45Å; W729-L749 HydrophobicContact CZ3-CB 3.71Å; W729-R750 HydrophobicContact CD2-CB 4.5Å; W729-R750 VanDerWaalsContact CH2-CA 3.5Å; W729-R750 HydrophobicContact CH2-CB 3.8Å; W729-R750 HydrophobicContact CH2-CG 4.3Å; W729-R750 HydrophobicContact CZ2-CB 3.52Å; W729-R750 HydrophobicContact CZ2-CG 3.75Å; W729-R750 HydrophobicContact CZ3-CB 4.37Å
730R94.1Very high95.4Very high213 Ų21362.7 Ų62.780%0.80431%0.313SS*.Hα-helixtrans-64.3-36.8172.4-73-177.5175.9173.3-1.9112L728 T733 K734L728-R730 PolarHBondContact O-N 3.13Å; R730-T733 PolarHBondContact O-N 3.36Å; R730-K734 PolarHBondContact O-N 2.88Å; R730-K734 VanDerWaalsContact O-N 3.11Å
731E96.2Very high95.1Very high83 Ų8367.2 Ų67.239%0.38835%0.345SS..Hα-helixtrans-73.7-41.8176.6-58.8174.1-160.200111.6R717 L728 W729 T733 K734 G735R717-E731 IonicContact CZ-OE2 3.25Å; R717-E731 VanDerWaalsContact CZ-OE2 3.25Å; R717-E731 IonicContact NE-OE2 2.81Å; R717-E731 PolarHBondContact NE-OE2 2.94Å; R717-E731 IonicContact NH2-OE2 2.81Å; R717-E731 PolarHBondContact NH2-OE2 3.4Å; L728-E731 WeakPolarHBondContact CD2-OE1 3.17Å; L728-E731 WeakPolarHBondContact O-CA 3.47Å; L728-E731 WeakPolarHBondContact O-CB 3.48Å; L728-E731 PolarHBondContact O-N 2.82Å; W729-E731 VanDerWaalsContact C-N 3.32Å; E731-T733 PolarHBondContact O-N 3.47Å; E731-K734 WeakPolarHBondContact O-CB 3.34Å; E731-K734 PolarHBondContact O-N 2.9Å; E731-K734 VanDerWaalsContact O-N 3.08Å; E731-G735 PolarHBondContact O-N 3.09Å
732I97.1Very high94.9Very high0 Ų068.4 Ų68.40%035%0.35CS..Hα-helixtrans-55.6-42.1171.8-52.2-61.2000110.3L710 L713 V714 V723 L728 W729 K734 G735 L736 L749L710-I732 HydrophobicContact CD1-CG2 3.71Å; L713-I732 HydrophobicContact CB-CD1 3.88Å; L713-I732 WeakPolarHBondContact O-CD1 3.17Å; V714-I732 HydrophobicContact CG2-CD1 3.69Å; V714-I732 HydrophobicContact CG2-CG1 4.21Å; V714-I732 HydrophobicContact CG2-CG2 4.37Å; V723-I732 HydrophobicContact CG1-CD1 4.33Å; V723-I732 HydrophobicContact CG1-CG1 3.87Å; V723-I732 HydrophobicContact CG2-CD1 4.3Å; L728-I732 PolarHBondContact O-N 3.19Å; W729-I732 HydrophobicContact CE3-CB 4.28Å; W729-I732 HydrophobicContact CE3-CG1 4.16Å; W729-I732 HydrophobicContact CE3-CG2 4.43Å; W729-I732 HydrophobicContact CZ3-CG1 4.46Å; W729-I732 HydrophobicContact CZ3-CG2 4.43Å; I732-K734 PolarHBondContact O-N 3.49Å; I732-G735 PolarHBondContact O-N 2.91Å; I732-L736 HydrophobicContact CG2-CD1 3.98Å; I732-L736 WeakPolarHBondContact O-CG 3.44Å; I732-L736 PolarHBondContact O-N 3Å; I732-L736 VanDerWaalsContact O-N 3.08Å; I732-L749 HydrophobicContact CG2-CD1 4.15Å
733T96Very high94.7Very high11 Ų1172.7 Ų72.77%0.06738%0.381CS..Hα-helixtrans-63.8-40.5177.5-51.40000111.6W729 R730 E731 L738 A745 L749W729-T733 WeakPolarHBondContact O-CB 3.47Å; W729-T733 PolarHBondContact O-N 3.38Å; W729-T733 PolarHBondContact O-OG1 2.98Å; R730-T733 PolarHBondContact O-N 3.36Å; E731-T733 PolarHBondContact O-N 3.47Å; T733-L738 HydrophobicContact CG2-CB 3.8Å; T733-L738 WeakPolarHBondContact O-CB 3.49Å; T733-L738 PolarHBondContact O-N 3.08Å; T733-A745 HydrophobicContact CG2-CB 3.77Å; T733-L749 WeakPolarHBondContact OG1-CD1 3.43Å
734K95.2Very high94.5Very high161 Ų16175.8 Ų75.870%0.740%0.403SS*.Hα-helixtrans-66.2-44.7174.6-75-176.8173.7-169.40112.7R730 E731 I732 L736 N737R730-K734 PolarHBondContact O-N 2.88Å; R730-K734 VanDerWaalsContact O-N 3.11Å; E731-K734 WeakPolarHBondContact O-CB 3.34Å; E731-K734 PolarHBondContact O-N 2.9Å; E731-K734 VanDerWaalsContact O-N 3.08Å; I732-K734 PolarHBondContact O-N 3.49Å; K734-L736 VanDerWaalsContact C-N 3.3Å; K734-L736 PolarHBondContact O-N 3.03Å; K734-N737 WeakPolarHBondContact O-CA 3.36Å; K734-N737 PolarHBondContact O-N 2.84Å
735G94.9Very high94.4Very high27 Ų2775.9 Ų75.928%0.27840%0.404SS..Hα-helixtrans-64.3-33.1-179.200000113.1E731 I732 N737E731-G735 PolarHBondContact O-N 3.09Å; I732-G735 PolarHBondContact O-N 2.91Å; G735-N737 PolarHBondContact O-N 3.19Å; G735-N737 PolarHBondContact O-OD1 3.23Å
736L94.6Very high94.4Very high21 Ų2174.2 Ų74.211%0.1140%0.4CS..THydrogen-bonded Turntrans-78.810.7172.1-67.1170.6000114.1L705 D706 E709 L710 L713 I732 K734 L738 L749L705-L736 HydrophobicContact CD1-CD1 4.23Å; D706-L736 HydrophobicContact CB-CD2 4.32Å; E709-L736 HydrophobicContact CB-CD2 3.91Å; E709-L736 HydrophobicContact CG-CD2 3.86Å; L710-L736 HydrophobicContact CB-CD1 4.26Å; L710-L736 HydrophobicContact CB-CD2 4.17Å; L710-L736 HydrophobicContact CD1-CD1 4.09Å; L713-L736 HydrophobicContact CD1-CD2 4.05Å; L713-L736 HydrophobicContact CD1-CG 3.86Å; I732-L736 HydrophobicContact CG2-CD1 3.98Å; I732-L736 WeakPolarHBondContact O-CG 3.44Å; I732-L736 PolarHBondContact O-N 3Å; I732-L736 VanDerWaalsContact O-N 3.08Å; K734-L736 VanDerWaalsContact C-N 3.3Å; K734-L736 PolarHBondContact O-N 3.03Å; L736-L738 HydrophobicContact CB-CD1 3.89Å; L736-L738 HydrophobicContact CB-CG 3.86Å; L736-L738 HydrophobicContact CD1-CD1 4.07Å; L736-L738 PolarHBondContact O-N 2.84Å; L736-L749 HydrophobicContact CD1-CD1 4.31Å; L736-L749 HydrophobicContact CD1-CD2 3.51Å
737N93.1Very high94.3Very high151 Ų15174.9 Ų74.981%0.80740%0.404SS*.THydrogen-bonded Turntrans51.923-174.8-54.889.1000114.3K734 G735K734-N737 WeakPolarHBondContact O-CA 3.36Å; K734-N737 PolarHBondContact O-N 2.84Å; G735-N737 PolarHBondContact O-N 3.19Å; G735-N737 PolarHBondContact O-OD1 3.23Å
738L93Very high94.3Very high22 Ų2270.9 Ų70.912%0.11539%0.389CS..  trans-80.2140.7-175.9-69.5171.8000110.9M700 A701 T733 L736 S740 L749M700-L738 HydrophobicContact CG-CD1 4.45Å; M700-L738 HydrophobicContact SD-CD1 3.78Å; A701-L738 HydrophobicContact CB-CD2 4.01Å; T733-L738 HydrophobicContact CG2-CB 3.8Å; T733-L738 WeakPolarHBondContact O-CB 3.49Å; T733-L738 PolarHBondContact O-N 3.08Å; L736-L738 HydrophobicContact CB-CD1 3.89Å; L736-L738 HydrophobicContact CB-CG 3.86Å; L736-L738 HydrophobicContact CD1-CD1 4.07Å; L736-L738 PolarHBondContact O-N 2.84Å; L738-S740 PolarHBondContact O-N 3.21Å; L738-L749 HydrophobicContact CD1-CD1 4.49Å; L738-L749 HydrophobicContact CD1-CD2 4.13Å
739P92.4Very high94.4Very high65 Ų6569.5 Ų69.542%0.42238%0.382SS..  trans-54.1123178-28.334.5000113.1S741 I742P739-S741 PolarHBondContact O-N 3.22Å; P739-S741 VanDerWaalsContact O-N 3.08Å; P739-I742 HydrophobicContact CB-CD1 4.16Å; P739-I742 HydrophobicContact CB-CG1 4.26Å; P739-I742 HydrophobicContact CG-CD1 4.32Å; P739-I742 WeakPolarHBondContact O-CB 3.2Å; P739-I742 VanDerWaalsContact O-CG1 3.31Å; P739-I742 WeakPolarHBondContact O-CG1 3.28Å; P739-I742 PolarHBondContact O-N 2.54Å
740S89.9Confident94.4Very high116 Ų11671.2 Ų71.281%0.81139%0.388SS*.THydrogen-bonded Turntrans-61.7-17.6-179.757.60000113.9L738 I742L738-S740 PolarHBondContact O-N 3.21Å; S740-I742 PolarHBondContact O-N 2.81Å
741S92.2Very high94.5Very high96 Ų9663.7 Ų63.767%0.67137%0.366SS*.THydrogen-bonded Turntrans-67.2-15.1173.355.10000114.2P739 T743P739-S741 PolarHBondContact O-N 3.22Å; P739-S741 VanDerWaalsContact O-N 3.08Å; S741-T743 VanDerWaalsContact C-N 3.34Å; S741-T743 PolarHBondContact O-N 2.81Å; S741-T743 PolarHBondContact O-OG1 3.01Å
742I92.2Very high94.5Very high42 Ų4261.6 Ų61.622%0.21536%0.356CS..  trans-7585.4179.9-56.8168.1000109.5A701 P739 S740 S744 A745A701-I742 HydrophobicContact CB-CD1 3.69Å; P739-I742 HydrophobicContact CB-CD1 4.16Å; P739-I742 HydrophobicContact CB-CG1 4.26Å; P739-I742 HydrophobicContact CG-CD1 4.32Å; P739-I742 WeakPolarHBondContact O-CB 3.2Å; P739-I742 VanDerWaalsContact O-CG1 3.31Å; P739-I742 WeakPolarHBondContact O-CG1 3.28Å; P739-I742 PolarHBondContact O-N 2.54Å; S740-I742 PolarHBondContact O-N 2.81Å; I742-S744 PolarHBondContact O-N 3.33Å; I742-A745 HydrophobicContact CB-CB 4.13Å; I742-A745 HydrophobicContact CG2-CB 3.94Å; I742-A745 WeakPolarHBondContact O-CB 3.36Å; I742-A745 PolarHBondContact O-N 2.78Å
743T92.7Very high94.5Very high146 Ų14661.6 Ų61.690%0.89636%0.356SS*.THydrogen-bonded Turntrans-55.3-28.8-176.4-35.20000113.5S741S741-T743 VanDerWaalsContact C-N 3.34Å; S741-T743 PolarHBondContact O-N 2.81Å; S741-T743 PolarHBondContact O-OG1 3.01Å
744S94Very high94.6Very high66 Ų6664.2 Ų64.246%0.46237%0.369SS..THydrogen-bonded Turntrans-87.9-1.9178.661.30000114.7I742 A746 F747 T748I742-S744 PolarHBondContact O-N 3.33Å; S744-A746 VanDerWaalsContact C-N 3.34Å; S744-A746 PolarHBondContact O-N 2.84Å; S744-F747 PolarHBondContact O-N 2.82Å; S744-T748 PolarHBondContact O-N 2.81Å; S744-T748 PolarHBondContact O-OG1 2.88Å; S744-T748 VanDerWaalsContact O-OG1 3.12Å
745A95.1Very high94.6Very high3 Ų362.1 Ų62.13%0.02536%0.36CS..Hα-helixtrans-52.8-48.4-171.100000112.4T733 I742 F747 T748 L749T733-A745 HydrophobicContact CG2-CB 3.77Å; I742-A745 HydrophobicContact CB-CB 4.13Å; I742-A745 HydrophobicContact CG2-CB 3.94Å; I742-A745 WeakPolarHBondContact O-CB 3.36Å; I742-A745 PolarHBondContact O-N 2.78Å; A745-F747 VanDerWaalsContact C-N 3.31Å; A745-F747 PolarHBondContact O-N 2.83Å; A745-T748 PolarHBondContact O-N 3.32Å; A745-T748 VanDerWaalsContact O-N 3.16Å; A745-L749 HydrophobicContact CB-CD1 4.4Å; A745-L749 VanDerWaalsContact O-CB 3.28Å; A745-L749 WeakPolarHBondContact O-CB 3.39Å; A745-L749 VanDerWaalsContact O-CG 3.27Å; A745-L749 WeakPolarHBondContact O-CG 3.43Å; A745-L749 PolarHBondContact O-N 2.89Å
746A94.9Very high94.7Very high41 Ų4161.3 Ų61.334%0.33935%0.348SS..Hα-helixtrans-56-40.7177.900000113.8W729 S744 R750W729-A746 HydrophobicContact CB-CB 3.38Å; W729-A746 HydrophobicContact CG-CB 3.82Å; S744-A746 VanDerWaalsContact C-N 3.34Å; S744-A746 PolarHBondContact O-N 2.84Å; A746-R750 WeakPolarHBondContact O-CB 3.4Å; A746-R750 PolarHBondContact O-N 2.82Å
747F95Very high94.8Very high140 Ų14060.3 Ų60.361%0.61434%0.343SS*.Hα-helixtrans-73.5-42177.3178.5-97.4000111.5S744 A745 T751S744-F747 PolarHBondContact O-N 2.82Å; A745-F747 VanDerWaalsContact C-N 3.31Å; A745-F747 PolarHBondContact O-N 2.83Å; F747-T751 WeakPolarHBondContact O-CB 3.35Å; F747-T751 PolarHBondContact O-N 3.4Å; F747-T751 PolarHBondContact O-OG1 2.8Å
748T95.7Very high95Very high37 Ų3753.9 Ų53.923%0.22731%0.307CS..Hα-helixtrans-68-48.4-179.1-48.80000111.5M700 S744 A745 T751 Q752M700-T748 HydrophobicContact CE-CG2 3.53Å; M700-T748 HydrophobicContact SD-CG2 4.33Å; S744-T748 PolarHBondContact O-N 2.81Å; S744-T748 PolarHBondContact O-OG1 2.88Å; S744-T748 VanDerWaalsContact O-OG1 3.12Å; A745-T748 PolarHBondContact O-N 3.32Å; A745-T748 VanDerWaalsContact O-N 3.16Å; T748-T751 PolarHBondContact O-N 2.85Å; T748-T751 VanDerWaalsContact O-N 3.13Å; T748-Q752 WeakPolarHBondContact O-CG 3.37Å; T748-Q752 PolarHBondContact O-N 3.43Å
749L97.4Very high95.1Very high0 Ų054 Ų540%031%0.309CS..Hα-helixtrans-58.3-50.9177.4-71169.3000110.7M700 L705 L710 W729 I732 T733 L736 L738 A745 T751 Q752 Y753M700-L749 HydrophobicContact CE-CD2 3.45Å; M700-L749 VanDerWaalsContact CE-CD2 3.45Å; M700-L749 HydrophobicContact CE-CG 3.76Å; M700-L749 HydrophobicContact SD-CD2 3.94Å; M700-L749 HydrophobicContact SD-CG 4Å; L705-L749 HydrophobicContact CD1-CD2 3.8Å; L705-L749 HydrophobicContact CD2-CD2 4.46Å; L710-L749 HydrophobicContact CD1-CD2 4.23Å; L710-L749 HydrophobicContact CD2-CD2 4.38Å; W729-L749 HydrophobicContact CE3-CB 3.8Å; W729-L749 HydrophobicContact CE3-CD1 4.45Å; W729-L749 HydrophobicContact CZ3-CB 3.71Å; I732-L749 HydrophobicContact CG2-CD1 4.15Å; T733-L749 WeakPolarHBondContact OG1-CD1 3.43Å; L736-L749 HydrophobicContact CD1-CD1 4.31Å; L736-L749 HydrophobicContact CD1-CD2 3.51Å; L738-L749 HydrophobicContact CD1-CD1 4.49Å; L738-L749 HydrophobicContact CD1-CD2 4.13Å; A745-L749 HydrophobicContact CB-CD1 4.4Å; A745-L749 VanDerWaalsContact O-CB 3.28Å; A745-L749 WeakPolarHBondContact O-CB 3.39Å; A745-L749 VanDerWaalsContact O-CG 3.27Å; A745-L749 WeakPolarHBondContact O-CG 3.43Å; A745-L749 PolarHBondContact O-N 2.89Å; L749-T751 VanDerWaalsContact C-N 3.27Å; L749-T751 PolarHBondContact O-N 3.12Å; L749-Q752 PolarHBondContact O-N 3.17Å; L749-Y753 WeakPolarHBondContact O-CB 3.35Å; L749-Y753 PolarHBondContact O-N 2.84Å
750R96.3Very high95.3Very high54 Ų5451.5 Ų51.520%0.20429%0.292CS..Hα-helixtrans-54.4-42.9173.7-175.7-174.3135.9-164.1-13.2112.2L720 I724 W729 A746 Y753 M754 I777L720-R750 HydrophobicContact CD1-CG 4.4Å; I724-R750 HydrophobicContact CD1-CG 4.14Å; W729-R750 HydrophobicContact CD2-CB 4.5Å; W729-R750 VanDerWaalsContact CH2-CA 3.5Å; W729-R750 HydrophobicContact CH2-CB 3.8Å; W729-R750 HydrophobicContact CH2-CG 4.3Å; W729-R750 HydrophobicContact CZ2-CB 3.52Å; W729-R750 HydrophobicContact CZ2-CG 3.75Å; W729-R750 HydrophobicContact CZ3-CB 4.37Å; A746-R750 WeakPolarHBondContact O-CB 3.4Å; A746-R750 PolarHBondContact O-N 2.82Å; R750-Y753 PolarHBondContact O-N 2.89Å; R750-M754 HydrophobicContact CG-CG 4.35Å; R750-M754 HydrophobicContact CG-SD 4Å; R750-M754 PolarHBondContact NE-SD 3.47Å; R750-M754 WeakPolarHBondContact O-CB 3.49Å; R750-M754 VanDerWaalsContact O-CG 3.24Å; R750-M754 WeakPolarHBondContact O-CG 3.45Å; R750-M754 PolarHBondContact O-N 3.44Å; R750-I777 VanDerWaalsContact NH2-CD1 3.29Å; R750-I777 VanDerWaalsContact NH2-CG1 3.33Å
751T96.3Very high95.7Very high55 Ų5546 Ų4634%0.33725%0.253SS..Hα-helixtrans-69.1-37.4-178.8-57.90000112.4F747 T748 L749 K755F747-T751 WeakPolarHBondContact O-CB 3.35Å; F747-T751 PolarHBondContact O-N 3.4Å; F747-T751 PolarHBondContact O-OG1 2.8Å; T748-T751 PolarHBondContact O-N 2.85Å; T748-T751 VanDerWaalsContact O-N 3.13Å; L749-T751 VanDerWaalsContact C-N 3.27Å; L749-T751 PolarHBondContact O-N 3.12Å; T751-K755 WeakPolarHBondContact O-CB 3.44Å; T751-K755 PolarHBondContact O-N 2.88Å
752Q96.7Very high95.9Very high39 Ų3943.4 Ų43.418%0.18224%0.235CC..Hα-helixtrans-69.7-44.4172.5-55.8-40-50.500110.8P698 L705 T748 L749 M754 K755 Y756P698-Q752 HydrophobicContact CB-CG 3.94Å; P698-Q752 HydrophobicContact CG-CG 4.4Å; L705-Q752 HydrophobicContact CD2-CB 3.78Å; L705-Q752 HydrophobicContact CD2-CG 3.68Å; T748-Q752 WeakPolarHBondContact O-CG 3.37Å; T748-Q752 PolarHBondContact O-N 3.43Å; L749-Q752 PolarHBondContact O-N 3.17Å; Q752-M754 PolarHBondContact O-N 2.95Å; Q752-K755 PolarHBondContact O-N 3.13Å; Q752-Y756 HydrophobicContact CB-CD2 4.48Å; Q752-Y756 WeakPolarHBondContact O-CD2 3.4Å; Q752-Y756 PolarHBondContact O-N 3.37Å
753Y97.7Very high95.9Very high0 Ų046.2 Ų46.20%025%0.247CC..Iπ-helixtrans-56.5-52.5177.5-158.9-68.7000111L710 F711 V714 L720 L749 R750 K755 Y756 L757 Y758 E761L710-Y753 HydrophobicContact CD1-CD2 3.91Å; L710-Y753 HydrophobicContact CD2-CD2 4.32Å; L710-Y753 HydrophobicContact CG-CD2 3.8Å; L710-Y753 HydrophobicContact CG-CE2 4.37Å; L710-Y753 WeakPolarHBondContact O-CE2 3.47Å; F711-Y753 WeakPolarHBondContact CD2-OH 3.39Å; V714-Y753 HydrophobicContact CB-CD2 4.15Å; V714-Y753 HydrophobicContact CB-CE2 3.46Å; V714-Y753 VanDerWaalsContact CB-CE2 3.46Å; V714-Y753 HydrophobicContact CG1-CD2 4.21Å; V714-Y753 HydrophobicContact CG1-CE1 4.3Å; V714-Y753 HydrophobicContact CG1-CE2 3.58Å; V714-Y753 HydrophobicContact CG2-CD2 3.81Å; V714-Y753 HydrophobicContact CG2-CE2 3.63Å; L720-Y753 HydrophobicContact CB-CD1 4.08Å; L720-Y753 HydrophobicContact CB-CE1 4.03Å; L720-Y753 HydrophobicContact CD1-CD1 3.8Å; L720-Y753 HydrophobicContact CD1-CG 3.98Å; L720-Y753 HydrophobicContact CD2-CD1 4.03Å; L720-Y753 HydrophobicContact CG-CD1 4.18Å; L749-Y753 WeakPolarHBondContact O-CB 3.35Å; L749-Y753 PolarHBondContact O-N 2.84Å; R750-Y753 PolarHBondContact O-N 2.89Å; Y753-K755 PolarHBondContact O-N 2.89Å; Y753-Y756 PolarHBondContact O-N 3.31Å; Y753-L757 HydrophobicContact CD1-CB 3.82Å; Y753-L757 HydrophobicContact CD2-CB 4.04Å; Y753-L757 HydrophobicContact CD2-CD1 3.66Å; Y753-L757 HydrophobicContact CD2-CG 4.49Å; Y753-L757 HydrophobicContact CE1-CB 3.67Å; Y753-L757 HydrophobicContact CE2-CB 3.9Å; Y753-L757 HydrophobicContact CE2-CD1 3.68Å; Y753-L757 HydrophobicContact CE2-CG 4.45Å; Y753-L757 HydrophobicContact CG-CB 4Å; Y753-L757 HydrophobicContact CG-CD1 4.28Å; Y753-L757 PolarHBondContact O-N 3.01Å; Y753-Y758 PolarHBondContact O-N 3.28Å; Y753-E761 WeakPolarHBondContact CE1-OE2 3.28Å
754M96.6Very high96Very high67 Ų6742.2 Ų42.233%0.3322%0.223SC..Iπ-helixtrans-55-27.1176.2-76.3179.666.800114.2L720 R750 Q752 L773 I777L720-M754 HydrophobicContact CD2-CG 3.6Å; R750-M754 HydrophobicContact CG-CG 4.35Å; R750-M754 HydrophobicContact CG-SD 4Å; R750-M754 PolarHBondContact NE-SD 3.47Å; R750-M754 WeakPolarHBondContact O-CB 3.49Å; R750-M754 VanDerWaalsContact O-CG 3.24Å; R750-M754 WeakPolarHBondContact O-CG 3.45Å; R750-M754 PolarHBondContact O-N 3.44Å; Q752-M754 PolarHBondContact O-N 2.95Å; M754-L773 HydrophobicContact CE-CD2 4.09Å; M754-L773 HydrophobicContact CG-CD2 4.26Å; M754-I777 HydrophobicContact CE-CD1 3.96Å; M754-I777 HydrophobicContact SD-CD1 4.13Å
755K95.6Very high96.1Very high117 Ų11743.2 Ų43.251%0.50922%0.222SC..Iπ-helixtrans-91.1-40.5-176.5179.6-179.4168.6-155.60113.4T751 Q752 Y753T751-K755 WeakPolarHBondContact O-CB 3.44Å; T751-K755 PolarHBondContact O-N 2.88Å; Q752-K755 PolarHBondContact O-N 3.13Å; Y753-K755 PolarHBondContact O-N 2.89Å
756Y96.5Very high96Very high10 Ų1045.6 Ų45.64%0.03925%0.247CC..Iπ-helixtrans-107.7-42.9-171.2-65.6-88.7000112.8M687 V694 R696 P698 Q752 Y753M687-Y756 HydrophobicContact CE-CD1 3.58Å; M687-Y756 HydrophobicContact CE-CE1 4.27Å; M687-Y756 HydrophobicContact CE-CG 4.26Å; M687-Y756 HydrophobicContact SD-CD1 3.74Å; M687-Y756 HydrophobicContact SD-CG 4.38Å; V694-Y756 HydrophobicContact CB-CE1 4.45Å; V694-Y756 HydrophobicContact CG1-CD1 4.42Å; V694-Y756 HydrophobicContact CG1-CE1 3.92Å; V694-Y756 HydrophobicContact CG2-CD1 4Å; V694-Y756 HydrophobicContact CG2-CE1 4.11Å; R696-Y756 PolarHBondContact O-OH 2.96Å; P698-Y756 HydrophobicContact CG-CD2 3.81Å; P698-Y756 HydrophobicContact CG-CE1 4.42Å; P698-Y756 HydrophobicContact CG-CE2 3.33Å; Q752-Y756 HydrophobicContact CB-CD2 4.48Å; Q752-Y756 WeakPolarHBondContact O-CD2 3.4Å; Q752-Y756 PolarHBondContact O-N 3.37Å; Y753-Y756 PolarHBondContact O-N 3.31Å
757L97.4Very high95.9Very high0 Ų047.2 Ų47.20%025%0.25CC..Iπ-helixtrans-103.7-35.4-167.3-64.4174.2000113.7F679 L683 L707 L710 F711 Y753 Y760 E761F679-L757 HydrophobicContact CE1-CD2 4.39Å; F679-L757 HydrophobicContact CZ-CD2 3.87Å; L683-L757 HydrophobicContact CD1-CD2 4.19Å; L683-L757 HydrophobicContact CD2-CD2 3.64Å; L707-L757 HydrophobicContact CB-CD2 4.49Å; L710-L757 HydrophobicContact CB-CD1 4.18Å; L710-L757 HydrophobicContact CD2-CD1 3.93Å; L710-L757 HydrophobicContact CG-CD1 3.76Å; F711-L757 HydrophobicContact CB-CD1 4.12Å; F711-L757 HydrophobicContact CB-CD2 4.14Å; F711-L757 HydrophobicContact CD2-CB 4.35Å; F711-L757 HydrophobicContact CD2-CD2 4.2Å; Y753-L757 HydrophobicContact CD1-CB 3.82Å; Y753-L757 HydrophobicContact CD2-CB 4.04Å; Y753-L757 HydrophobicContact CD2-CD1 3.66Å; Y753-L757 HydrophobicContact CD2-CG 4.49Å; Y753-L757 HydrophobicContact CE1-CB 3.67Å; Y753-L757 HydrophobicContact CE2-CB 3.9Å; Y753-L757 HydrophobicContact CE2-CD1 3.68Å; Y753-L757 HydrophobicContact CE2-CG 4.45Å; Y753-L757 HydrophobicContact CG-CB 4Å; Y753-L757 HydrophobicContact CG-CD1 4.28Å; Y753-L757 PolarHBondContact O-N 3.01Å; L757-Y760 WeakPolarHBondContact O-CA 3.46Å; L757-Y760 VanDerWaalsContact O-CB 3.31Å; L757-Y760 WeakPolarHBondContact O-CB 3.46Å; L757-Y760 PolarHBondContact O-N 3.15Å; L757-E761 PolarHBondContact O-N 2.66Å
758Y97.3Very high95.8Very high15 Ų1541.1 Ų41.16%0.05922%0.224CC..Hα-helixtrans-56.8-41.3-175.7-177.3-114.1000114.7L720 Y753 Y760 E761 C762 S768 S769 P770 L773L720-Y758 HydrophobicContact CB-CD2 3.83Å; L720-Y758 HydrophobicContact CB-CE2 4.22Å; L720-Y758 HydrophobicContact CD2-CD2 3.39Å; L720-Y758 HydrophobicContact CD2-CE2 4.03Å; L720-Y758 HydrophobicContact CD2-CG 3.73Å; L720-Y758 HydrophobicContact CG-CD2 4.22Å; Y753-Y758 PolarHBondContact O-N 3.28Å; Y758-Y760 VanDerWaalsContact C-N 3.31Å; Y758-Y760 PolarHBondContact O-N 2.84Å; Y758-E761 VanDerWaalsContact CD2-OE2 3.29Å; Y758-E761 WeakPolarHBondContact CD2-OE2 3.01Å; Y758-E761 WeakPolarHBondContact O-CB 3.39Å; Y758-E761 PolarHBondContact O-N 2.89Å; Y758-C762 PolarHBondContact O-N 3.01Å; Y758-C762 PolarHBondContact O-SG 3.16Å; Y758-S768 WeakPolarHBondContact CE2-OG 3.46Å; Y758-S768 PolarHBondContact OH-O 3.45Å; Y758-S769 PolarHBondContact OH-O 3.4Å; Y758-S769 VanDerWaalsContact OH-O 3.05Å; Y758-P770 HydrophobicContact CE1-CG 4.39Å; Y758-L773 HydrophobicContact CD1-CD2 3.72Å; Y758-L773 HydrophobicContact CD2-CD2 4.27Å; Y758-L773 HydrophobicContact CE1-CD2 3.38Å; Y758-L773 HydrophobicContact CE2-CD2 4Å; Y758-L773 HydrophobicContact CG-CD2 4.16Å
759P95.6Very high95.7Very high24 Ų2441.3 Ų41.316%0.15623%0.228CC..Hα-helixtrans-66.4-36.4175.8-18.632.8000112.2Y686 R690 C762 E763Y686-P759 HydrophobicContact CE1-CB 4.26Å; Y686-P759 PolarHBondContact OH-O 3.09Å; R690-P759 VanDerWaalsContact CZ-CB 3.4Å; R690-P759 VanDerWaalsContact NH2-CB 3.27Å; P759-C762 WeakPolarHBondContact O-CB 3.48Å; P759-C762 PolarHBondContact O-N 3.25Å; P759-E763 WeakPolarHBondContact O-CB 3.49Å; P759-E763 PolarHBondContact O-N 3.02Å
760Y97Very high95.5Very high13 Ų1345.4 Ų45.45%0.05125%0.254CS..Hα-helixtrans-65-45177.2-175.8-90.2000110.9F679 E682 L683 Y686 F711 L757 Y758 C762 E763 T764F679-Y760 HydrophobicContact CD2-CE1 4.15Å; F679-Y760 HydrophobicContact CE2-CD1 4.15Å; F679-Y760 AromaticContact CE2-CE1 3.57Å; F679-Y760 HydrophobicContact CE2-CE1 3.57Å; E682-Y760 HydrophobicContact CG-CE2 4.14Å; E682-Y760 PolarHBondContact OE2-OH 3.12Å; L683-Y760 HydrophobicContact CD1-CD2 3.84Å; L683-Y760 HydrophobicContact CD1-CE2 4.5Å; L683-Y760 HydrophobicContact CD1-CG 3.86Å; Y686-Y760 AromaticContact CD1-CD2 3.71Å; Y686-Y760 HydrophobicContact CD1-CD2 3.71Å; Y686-Y760 HydrophobicContact CD1-CG 4.4Å; Y686-Y760 AromaticContact CD2-CD2 3.83Å; Y686-Y760 HydrophobicContact CD2-CD2 3.83Å; Y686-Y760 HydrophobicContact CD2-CE2 4.41Å; Y686-Y760 HydrophobicContact CE1-CD2 4.1Å; Y686-Y760 HydrophobicContact CE1-CG 4.44Å; Y686-Y760 HydrophobicContact CE2-CD2 4.18Å; Y686-Y760 AromaticContact CG-CD2 3.61Å; Y686-Y760 HydrophobicContact CG-CD2 3.61Å; Y686-Y760 HydrophobicContact CG-CE2 4.28Å; Y686-Y760 PolarHBondContact OH-N 3.12Å; F711-Y760 HydrophobicContact CD2-CD1 4.41Å; F711-Y760 HydrophobicContact CE1-CD1 4.49Å; F711-Y760 HydrophobicContact CE1-CE1 4.19Å; F711-Y760 AromaticContact CE2-CD1 3.67Å; F711-Y760 HydrophobicContact CE2-CD1 3.67Å; F711-Y760 HydrophobicContact CE2-CE1 4.18Å; F711-Y760 AromaticContact CZ-CD1 3.7Å; F711-Y760 HydrophobicContact CZ-CD1 3.7Å; F711-Y760 AromaticContact CZ-CE1 3.76Å; F711-Y760 HydrophobicContact CZ-CE1 3.76Å; L757-Y760 WeakPolarHBondContact O-CA 3.46Å; L757-Y760 VanDerWaalsContact O-CB 3.31Å; L757-Y760 WeakPolarHBondContact O-CB 3.46Å; L757-Y760 PolarHBondContact O-N 3.15Å; Y758-Y760 VanDerWaalsContact C-N 3.31Å; Y758-Y760 PolarHBondContact O-N 2.84Å; Y760-C762 VanDerWaalsContact C-N 3.31Å; Y760-C762 PolarHBondContact O-N 2.95Å; Y760-E763 PolarHBondContact O-N 3.28Å; Y760-T764 HydrophobicContact CD1-CG2 4.21Å; Y760-T764 HydrophobicContact CD2-CG2 4.12Å; Y760-T764 HydrophobicContact CE1-CG2 3.94Å; Y760-T764 HydrophobicContact CE2-CG2 3.87Å; Y760-T764 HydrophobicContact CG-CG2 4.3Å; Y760-T764 WeakPolarHBondContact O-CB 3.39Å; Y760-T764 PolarHBondContact O-N 3.33Å; Y760-T764 PolarHBondContact O-OG1 3.31Å
761E97.6Very high95.5Very high0 Ų049.2 Ų49.20%028%0.279CS..Hα-helixtrans-52.9-47169.7-177.1-165.3170.700111.3F711 G719 L720 Y753 L757 Y758 E763 L765 G766 L767F711-E761 HydrophobicContact CE2-CB 4.18Å; G719-E761 WeakPolarHBondContact CA-OE1 3.27Å; L720-E761 WeakPolarHBondContact CB-OE2 3.42Å; L720-E761 PolarHBondContact N-OE1 3.38Å; L720-E761 PolarHBondContact N-OE2 3.24Å; Y753-E761 WeakPolarHBondContact CE1-OE2 3.28Å; L757-E761 PolarHBondContact O-N 2.66Å; Y758-E761 VanDerWaalsContact CD2-OE2 3.29Å; Y758-E761 WeakPolarHBondContact CD2-OE2 3.01Å; Y758-E761 WeakPolarHBondContact O-CB 3.39Å; Y758-E761 PolarHBondContact O-N 2.89Å; E761-E763 PolarHBondContact O-N 2.9Å; E761-L765 CarbonylContact O-C 3.58Å; E761-L765 WeakPolarHBondContact O-CA 3.47Å; E761-L765 PolarHBondContact O-N 3.38Å; E761-G766 PolarHBondContact O-N 2.78Å; E761-L767 HydrophobicContact CG-CB 4.23Å; E761-L767 HydrophobicContact CG-CD1 4.06Å; E761-L767 HydrophobicContact CG-CG 4.3Å
762C95.6Very high95.5Very high42 Ų4251.6 Ų51.628%0.28429%0.286SS..Hα-helixtrans-64.7-35.4179.1-64.80000113.7Y758 P759 Y760 S768Y758-C762 PolarHBondContact O-N 3.01Å; Y758-C762 PolarHBondContact O-SG 3.16Å; P759-C762 WeakPolarHBondContact O-CB 3.48Å; P759-C762 PolarHBondContact O-N 3.25Å; Y760-C762 VanDerWaalsContact C-N 3.31Å; Y760-C762 PolarHBondContact O-N 2.95Å; C762-S768 PolarHBondContact SG-O 3.05Å; C762-S768 VanDerWaalsContact SG-O 3.37Å
763E93.9Very high95.4Very high102 Ų10250.1 Ų50.148%0.47728%0.279SS..Hα-helixtrans-92.2-24.2-173.5-162.2171.4137.900113.1Y686 R689 R690 P759 Y760 E761Y686-E763 HydrophobicContact CE2-CB 3.88Å; Y686-E763 HydrophobicContact CE2-CG 4.05Å; Y686-E763 WeakPolarHBondContact CE2-OE1 3.41Å; Y686-E763 VanDerWaalsContact CE2-OE2 3.23Å; Y686-E763 WeakPolarHBondContact CE2-OE2 3.36Å; Y686-E763 PolarHBondContact OH-OE2 3.12Å; R689-E763 IonicContact CZ-OE1 3.91Å; R689-E763 IonicContact NH2-OE1 2.65Å; R689-E763 PolarHBondContact NH2-OE1 3.25Å; R690-E763 IonicContact NE-OE2 2.73Å; P759-E763 WeakPolarHBondContact O-CB 3.49Å; P759-E763 PolarHBondContact O-N 3.02Å; Y760-E763 PolarHBondContact O-N 3.28Å; E761-E763 PolarHBondContact O-N 2.9Å
764T93.8Very high95.3Very high62 Ų6254.7 Ų54.738%0.3830%0.301SS..Hα-helixtrans-103.6-35.1-179.259.60000114.2Y760Y760-T764 HydrophobicContact CD1-CG2 4.21Å; Y760-T764 HydrophobicContact CD2-CG2 4.12Å; Y760-T764 HydrophobicContact CE1-CG2 3.94Å; Y760-T764 HydrophobicContact CE2-CG2 3.87Å; Y760-T764 HydrophobicContact CG-CG2 4.3Å; Y760-T764 WeakPolarHBondContact O-CB 3.39Å; Y760-T764 PolarHBondContact O-N 3.33Å; Y760-T764 PolarHBondContact O-OG1 3.31Å
765L95.3Very high95.3Very high86 Ų8654.6 Ų54.645%0.4531%0.31SS..THydrogen-bonded Turntrans-120.2-21.1-174.8-59.1177.5000113.7F711 V715 E761 L767F711-L765 HydrophobicContact CE1-CD1 4.27Å; F711-L765 HydrophobicContact CZ-CD1 3.71Å; F711-L765 HydrophobicContact CZ-CG 4.5Å; V715-L765 HydrophobicContact CB-CD1 4.3Å; V715-L765 HydrophobicContact CG1-CD1 3.61Å; V715-L765 HydrophobicContact CG2-CD1 3.63Å; E761-L765 CarbonylContact O-C 3.58Å; E761-L765 WeakPolarHBondContact O-CA 3.47Å; E761-L765 PolarHBondContact O-N 3.38Å; L765-L767 HydrophobicContact CB-CD1 4.33Å; L765-L767 HydrophobicContact CB-CD2 4.21Å; L765-L767 HydrophobicContact CB-CG 3.8Å; L765-L767 HydrophobicContact CD1-CD1 4.21Å; L765-L767 PolarHBondContact O-N 3.36Å; L765-L767 VanDerWaalsContact O-N 3.16Å
766G93.7Very high95.3Very high54 Ų5449.3 Ų49.356%0.55729%0.289SS*.  trans66.314.5175.400000115.6E761 S768E761-G766 PolarHBondContact O-N 2.78Å; G766-S768 PolarHBondContact O-N 3.41Å
767L93.7Very high95.1Very high74 Ų7450 Ų5039%0.38729%0.292SS..  trans-59.5-23.6-168.8-58.7-179.3000114.9V715 E761 L765V715-L767 HydrophobicContact CG1-CD1 4.3Å; V715-L767 HydrophobicContact CG2-CD1 4.23Å; E761-L767 HydrophobicContact CG-CB 4.23Å; E761-L767 HydrophobicContact CG-CD1 4.06Å; E761-L767 HydrophobicContact CG-CG 4.3Å; L765-L767 HydrophobicContact CB-CD1 4.33Å; L765-L767 HydrophobicContact CB-CD2 4.21Å; L765-L767 HydrophobicContact CB-CG 3.8Å; L765-L767 HydrophobicContact CD1-CD1 4.21Å; L765-L767 PolarHBondContact O-N 3.36Å; L765-L767 VanDerWaalsContact O-N 3.16Å
768S92.6Very high95Very high12 Ų1252.6 Ų52.68%0.08431%0.306CS..  trans-163158.1174.857.90000113.1V721 Y758 C762 G766V721-S768 VanDerWaalsContact CG2-CB 3.41Å; V721-S768 VanDerWaalsContact CG2-OG 3.3Å; V721-S768 WeakPolarHBondContact CG2-OG 3.21Å; Y758-S768 WeakPolarHBondContact CE2-OG 3.46Å; Y758-S768 PolarHBondContact OH-O 3.45Å; C762-S768 PolarHBondContact SG-O 3.05Å; C762-S768 VanDerWaalsContact SG-O 3.37Å; G766-S768 PolarHBondContact O-N 3.41Å
769S93Very high94.7Very high42 Ų4253.8 Ų53.829%0.29432%0.323SS..  trans-98.7156.8175.6730000113.1Y758 N771 E772 L773Y758-S769 PolarHBondContact OH-O 3.4Å; Y758-S769 VanDerWaalsContact OH-O 3.05Å; S769-N771 PolarHBondContact O-N 3.31Å; S769-E772 WeakPolarHBondContact CA-OE2 3.36Å; S769-E772 WeakPolarHBondContact CB-OE2 3.4Å; S769-E772 PolarHBondContact N-OE2 3.3Å; S769-E772 PolarHBondContact O-N 2.7Å; S769-E772 VanDerWaalsContact OG-CD 3.26Å; S769-E772 PolarHBondContact OG-N 3.3Å; S769-E772 PolarHBondContact OG-OE2 3.1Å; S769-L773 PolarHBondContact O-N 3.5Å
770P94.3Very high94.2Very high86 Ų8655.6 Ų55.656%0.55833%0.332SS*.Hα-helixtrans-57-24.2176.8-28.135.8000114.7Y758 Q774Y758-P770 HydrophobicContact CE1-CG 4.39Å; P770-Q774 PolarHBondContact O-N 2.96Å
771N95.1Very high93.6Very high134 Ų13463.3 Ų63.372%0.71736%0.361SS*.Hα-helixtrans-73.8-43.2176.9-70.3-3.6000111.6S769 L773 Q774 A775S769-N771 PolarHBondContact O-N 3.31Å; N771-L773 VanDerWaalsContact C-N 3.33Å; N771-Q774 PolarHBondContact O-N 3.42Å; N771-A775 WeakPolarHBondContact O-CB 3.4Å; N771-A775 PolarHBondContact O-N 2.71Å
772E95.9Very high92.1Very high104 Ų10472.7 Ų72.749%0.48640%0.396SS..Hα-helixtrans-67.1-37.7175.2-69.8149.5151.700110.8V721 S769 A775 A776V721-E772 HydrophobicContact CG1-CB 4.47Å; V721-E772 HydrophobicContact CG2-CB 4.49Å; S769-E772 WeakPolarHBondContact CA-OE2 3.36Å; S769-E772 WeakPolarHBondContact CB-OE2 3.4Å; S769-E772 PolarHBondContact N-OE2 3.3Å; S769-E772 PolarHBondContact O-N 2.7Å; S769-E772 VanDerWaalsContact OG-CD 3.26Å; S769-E772 PolarHBondContact OG-N 3.3Å; S769-E772 PolarHBondContact OG-OE2 3.1Å; E772-A775 PolarHBondContact O-N 3.08Å; E772-A776 WeakPolarHBondContact O-CB 3.4Å; E772-A776 PolarHBondContact O-N 3.11Å
773L96.1Very high90.4Very high9 Ų976.3 Ų76.35%0.04741%0.409CS..Hα-helixtrans-59.6-48170.8179.960.4000112L720 V721 I724 M754 Y758 S769 N771 A775 A776 I777L720-L773 HydrophobicContact CD2-CD1 3.66Å; L720-L773 HydrophobicContact CD2-CD2 3.81Å; L720-L773 HydrophobicContact CD2-CG 4.41Å; L720-L773 HydrophobicContact CG-CD1 4.01Å; V721-L773 HydrophobicContact CG2-CB 3.82Å; V721-L773 HydrophobicContact CG2-CD1 4.08Å; I724-L773 HydrophobicContact CD1-CD1 3.48Å; I724-L773 VanDerWaalsContact CD1-CD1 3.48Å; M754-L773 HydrophobicContact CE-CD2 4.09Å; M754-L773 HydrophobicContact CG-CD2 4.26Å; Y758-L773 HydrophobicContact CD1-CD2 3.72Å; Y758-L773 HydrophobicContact CD2-CD2 4.27Å; Y758-L773 HydrophobicContact CE1-CD2 3.38Å; Y758-L773 HydrophobicContact CE2-CD2 4Å; Y758-L773 HydrophobicContact CG-CD2 4.16Å; S769-L773 PolarHBondContact O-N 3.5Å; N771-L773 VanDerWaalsContact C-N 3.33Å; L773-A775 VanDerWaalsContact C-N 3.3Å; L773-A775 PolarHBondContact O-N 3.31Å; L773-A776 PolarHBondContact O-N 3.49Å; L773-I777 HydrophobicContact CD1-CD1 3.78Å; L773-I777 HydrophobicContact CD1-CG1 4.12Å; L773-I777 HydrophobicContact CG-CD1 3.72Å; L773-I777 HydrophobicContact CG-CG1 4.47Å; L773-I777 WeakPolarHBondContact O-CB 3.48Å; L773-I777 WeakPolarHBondContact O-CD1 3.49Å; L773-I777 WeakPolarHBondContact O-CG1 3.48Å; L773-I777 PolarHBondContact O-N 2.84Å
774Q95.2Very high88.6Confident96 Ų9675.4 Ų75.445%0.44942%0.419SS..Hα-helixtrans-61.7-39176.2-172.758.244.100111.9P770 N771 I777 D778P770-Q774 PolarHBondContact O-N 2.96Å; N771-Q774 PolarHBondContact O-N 3.42Å; Q774-I777 PolarHBondContact O-N 3.43Å; Q774-D778 PolarHBondContact NE2-OD2 3.07Å; Q774-D778 PolarHBondContact O-N 3.25Å
775A95.7Very high86.9Confident64 Ų6479.7 Ų79.753%0.52943%0.428SS..Hα-helixtrans-64-45.7176.600000112.8N771 E772 L773 I777 D778 G779N771-A775 WeakPolarHBondContact O-CB 3.4Å; N771-A775 PolarHBondContact O-N 2.71Å; E772-A775 PolarHBondContact O-N 3.08Å; L773-A775 VanDerWaalsContact C-N 3.3Å; L773-A775 PolarHBondContact O-N 3.31Å; A775-I777 VanDerWaalsContact C-N 3.32Å; A775-I777 PolarHBondContact O-N 3.08Å; A775-D778 PolarHBondContact O-N 3.39Å; A775-G779 PolarHBondContact O-N 2.78Å
776A95.4Very high84.9Confident7 Ų786 Ų866%0.05845%0.446CS..Hα-helixtrans-63-38.4175.800000112.3V721 I724 N725 E772 L773 N780V721-A776 HydrophobicContact CG1-CB 4.05Å; I724-A776 HydrophobicContact CB-CB 4.43Å; I724-A776 HydrophobicContact CG2-CB 3.87Å; N725-A776 WeakPolarHBondContact OD1-CB 3.3Å; E772-A776 WeakPolarHBondContact O-CB 3.4Å; E772-A776 PolarHBondContact O-N 3.11Å; L773-A776 PolarHBondContact O-N 3.49Å; A776-N780 PolarHBondContact O-N 3Å; A776-N780 VanDerWaalsContact O-N 3.08Å
777I93.9Very high82.7Confident23 Ų2388.3 Ų88.312%0.11845%0.453CS..Hα-helixtrans-63.8-47.4175.5-69.4168.8000111.3I724 R750 M754 L773 Q774 A775 R781I724-I777 HydrophobicContact CD1-CG1 4.34Å; R750-I777 VanDerWaalsContact NH2-CD1 3.29Å; R750-I777 VanDerWaalsContact NH2-CG1 3.33Å; M754-I777 HydrophobicContact CE-CD1 3.96Å; M754-I777 HydrophobicContact SD-CD1 4.13Å; L773-I777 HydrophobicContact CD1-CD1 3.78Å; L773-I777 HydrophobicContact CD1-CG1 4.12Å; L773-I777 HydrophobicContact CG-CD1 3.72Å; L773-I777 HydrophobicContact CG-CG1 4.47Å; L773-I777 WeakPolarHBondContact O-CB 3.48Å; L773-I777 WeakPolarHBondContact O-CD1 3.49Å; L773-I777 WeakPolarHBondContact O-CG1 3.48Å; L773-I777 PolarHBondContact O-N 2.84Å; Q774-I777 PolarHBondContact O-N 3.43Å; A775-I777 VanDerWaalsContact C-N 3.32Å; A775-I777 PolarHBondContact O-N 3.08Å; I777-R781 PolarHBondContact O-N 2.94Å; I777-R781 VanDerWaalsContact O-N 3.12Å
778D93.7Very high80.7Confident55 Ų5588.6 Ų88.629%0.29446%0.461SS..Hα-helixtrans-77.4-24.3-179.8-78.1-37.2000113.2Q774 A775 R781 R782Q774-D778 PolarHBondContact NE2-OD2 3.07Å; Q774-D778 PolarHBondContact O-N 3.25Å; A775-D778 PolarHBondContact O-N 3.39Å; D778-R781 WeakPolarHBondContact O-CB 3.41Å; D778-R781 PolarHBondContact O-N 3.4Å; D778-R781 IonicContact OD1-NH1 3.84Å; D778-R782 WeakPolarHBondContact O-CG 3.28Å; D778-R782 PolarHBondContact O-N 3.02Å
779G91.4Very high78.6Confident40 Ų4098.7 Ų98.741%0.41250%0.499SS..Hα-helixtrans-60.6-57.1166.900000111A775 R781 R782A775-G779 PolarHBondContact O-N 2.78Å; G779-R781 PolarHBondContact O-N 2.92Å; G779-R781 VanDerWaalsContact O-N 3.09Å; G779-R782 WeakPolarHBondContact O-CB 3.36Å; G779-R782 PolarHBondContact O-N 3.22Å
780N85.9Confident76.6Confident62 Ų62101.2 Ų101.233%0.33251%0.513SS..Hα-helixtrans-62.8-16.9175.6-87.7-21.8000114I724 K727 A776I724-N780 VanDerWaalsContact CG2-ND2 3.26Å; I724-N780 WeakPolarHBondContact CG2-ND2 3.39Å; I724-N780 PolarHBondContact O-ND2 3.4Å; K727-N780 WeakPolarHBondContact CE-OD1 3.28Å; A776-N780 PolarHBondContact O-N 3Å; A776-N780 VanDerWaalsContact O-N 3.08Å
781R83.9Confident74.3Confident175 Ų175103.1 Ų103.166%0.6651%0.513SS*.Hα-helixtrans-75.8-20.7172.6-165.8176-175.41712.7113.6I777 D778 G779I777-R781 PolarHBondContact O-N 2.94Å; I777-R781 VanDerWaalsContact O-N 3.12Å; D778-R781 WeakPolarHBondContact O-CB 3.41Å; D778-R781 PolarHBondContact O-N 3.4Å; D778-R781 IonicContact OD1-NH1 3.84Å; G779-R781 PolarHBondContact O-N 2.92Å; G779-R781 VanDerWaalsContact O-N 3.09Å
782R66.3Low72.1Confident198 Ų198103.3 Ų103.375%0.74751%0.514SS*.Hα-helixtrans-82.4-27.6-175-72.8174.6-176.2-139.41.4114.2D778 G779 A784 R785D778-R782 WeakPolarHBondContact O-CG 3.28Å; D778-R782 PolarHBondContact O-N 3.02Å; G779-R782 WeakPolarHBondContact O-CB 3.36Å; G779-R782 PolarHBondContact O-N 3.22Å; R782-A784 PolarHBondContact O-N 2.83Å; R782-A784 VanDerWaalsContact O-N 3.15Å; R782-R785 PolarHBondContact O-N 2.96Å; R782-R785 VanDerWaalsContact O-N 3.15Å
783E59.6Low69.8Low117 Ų117106.4 Ų106.455%0.54752%0.522SS..G310 helixtrans-55.7-36.1-176.4-164.559.4-110.300113R785 R786E783-R785 PolarHBondContact O-N 3.04Å; E783-R786 PolarHBondContact O-N 3.34Å
784A57.1Low67.5Low84 Ų84110.3 Ų110.369%0.69455%0.548SS*.G310 helixtrans-65.510.2179.400000115.4R782R782-A784 PolarHBondContact O-N 2.83Å; R782-A784 VanDerWaalsContact O-N 3.15Å
785R56.5Low65.1Low151 Ų151113.5 Ų113.557%0.5757%0.565SS**G310 helixtrans-12811.2179.7-66.2-162.9-174.6-173.15.4116.5R782 E783 S787R782-R785 PolarHBondContact O-N 2.96Å; R782-R785 VanDerWaalsContact O-N 3.15Å; E783-R785 PolarHBondContact O-N 3.04Å; R785-S787 PolarHBondContact O-N 3.35Å
786R54.6Low62.9Low220 Ų220118.3 Ų118.383%0.8358%0.579SS**  trans-72.637.6154.8-85.6-172.8165.9-134.5-2.7112.9E783 S788E783-R786 PolarHBondContact O-N 3.34Å; R786-S788 PolarHBondContact O-N 2.98Å
787S47.6Very low60.7Low101 Ų101123.6 Ų123.671%0.70661%0.606SS**  trans-89.439.615633.90000110R785 Y789R785-S787 PolarHBondContact O-N 3.35Å; S787-Y789 VanDerWaalsContact C-N 3.26Å; S787-Y789 PolarHBondContact O-N 3.09Å
788S50.4Low58.7Low80 Ų80126.9 Ų126.956%0.55963%0.629SS**  trans-92.644.2173.158.80000111.3R786 T790R786-S788 PolarHBondContact O-N 2.98Å; S788-T790 PolarHBondContact O-N 3.28Å
789Y50.1Low56.4Low224 Ų224130 Ų13088%0.87865%0.652SS**  trans-70.854.5143.1-86.5-81000109.1S787S787-Y789 VanDerWaalsContact C-N 3.26Å; S787-Y789 PolarHBondContact O-N 3.09Å
790T49Very low54.3Low95 Ų95135 Ų13558%0.58367%0.669SS**  trans-82.689.2135.4-58.40000102.7S788 D792S788-T790 PolarHBondContact O-N 3.28Å; T790-D792 VanDerWaalsContact C-N 3.32Å; T790-D792 PolarHBondContact O-N 3.38Å; T790-D792 VanDerWaalsContact O-N 3.09Å
791F47Very low52.4Low126 Ų126138.3 Ų138.355%0.55369%0.692SS**  trans-59.5110.9153.8-173.8-62.9000103.1Y793F791-Y793 HydrophobicContact CB-CD2 4.12Å; F791-Y793 HydrophobicContact CB-CE2 4.21Å; F791-Y793 AromaticContact CD1-CD1 3.86Å; F791-Y793 HydrophobicContact CD1-CD1 3.86Å; F791-Y793 AromaticContact CD1-CD2 3.14Å; F791-Y793 HydrophobicContact CD1-CD2 3.14Å; F791-Y793 HydrophobicContact CD1-CE1 4.02Å; F791-Y793 AromaticContact CD1-CE2 3.32Å; F791-Y793 HydrophobicContact CD1-CE2 3.32Å; F791-Y793 AromaticContact CD1-CG 3.41Å; F791-Y793 HydrophobicContact CD1-CG 3.41Å; F791-Y793 VanDerWaalsContact CD1-CG 3.41Å; F791-Y793 AromaticContact CD1-CZ 3.75Å; F791-Y793 HydrophobicContact CD2-CE2 4.11Å; F791-Y793 AromaticContact CE1-CD1 3.44Å; F791-Y793 HydrophobicContact CE1-CD1 3.44Å; F791-Y793 VanDerWaalsContact CE1-CD1 3.44Å; F791-Y793 AromaticContact CE1-CD2 3.62Å; F791-Y793 HydrophobicContact CE1-CD2 3.62Å; F791-Y793 AromaticContact CE1-CE1 3.4Å; F791-Y793 HydrophobicContact CE1-CE1 3.4Å; F791-Y793 VanDerWaalsContact CE1-CE1 3.4Å; F791-Y793 AromaticContact CE1-CE2 3.58Å; F791-Y793 HydrophobicContact CE1-CE2 3.58Å; F791-Y793 AromaticContact CE1-CG 3.53Å; F791-Y793 HydrophobicContact CE1-CG 3.53Å; F791-Y793 AromaticContact CE1-CZ 3.45Å; F791-Y793 VanDerWaalsContact CE1-CZ 3.45Å; F791-Y793 HydrophobicContact CE2-CE2 4.29Å; F791-Y793 AromaticContact CG-CD2 3.76Å; F791-Y793 HydrophobicContact CG-CD2 3.76Å; F791-Y793 AromaticContact CG-CE2 3.64Å; F791-Y793 HydrophobicContact CG-CE2 3.64Å; F791-Y793 HydrophobicContact CG-CG 4.44Å; F791-Y793 HydrophobicContact CZ-CD1 4.29Å; F791-Y793 AromaticContact CZ-CE1 3.79Å; F791-Y793 HydrophobicContact CZ-CE1 3.79Å; F791-Y793 HydrophobicContact CZ-CE2 4.06Å; F791-Y793 AromaticContact CZ-CZ 3.64Å; F791-Y793 PolarHBondContact O-N 2.9Å
792D48Very low50.6Low138 Ų138135 Ų13574%0.73870%0.696SS**  trans-71.172.4174.6-83.6-55.3000107.9T790 P794T790-D792 VanDerWaalsContact C-N 3.32Å; T790-D792 PolarHBondContact O-N 3.38Å; T790-D792 VanDerWaalsContact O-N 3.09Å; D792-P794 WeakPolarHBondContact O-CD 3.45Å; D792-P794 VanDerWaalsContact O-N 3.08Å
793Y48.6Very low49.4Very low169 Ų169137.6 Ų137.666%0.66371%0.706SS**  trans-64.1109.5165.1-90.3-69.3000103.2F791 M795F791-Y793 HydrophobicContact CB-CD2 4.12Å; F791-Y793 HydrophobicContact CB-CE2 4.21Å; F791-Y793 AromaticContact CD1-CD1 3.86Å; F791-Y793 HydrophobicContact CD1-CD1 3.86Å; F791-Y793 AromaticContact CD1-CD2 3.14Å; F791-Y793 HydrophobicContact CD1-CD2 3.14Å; F791-Y793 HydrophobicContact CD1-CE1 4.02Å; F791-Y793 AromaticContact CD1-CE2 3.32Å; F791-Y793 HydrophobicContact CD1-CE2 3.32Å; F791-Y793 AromaticContact CD1-CG 3.41Å; F791-Y793 HydrophobicContact CD1-CG 3.41Å; F791-Y793 VanDerWaalsContact CD1-CG 3.41Å; F791-Y793 AromaticContact CD1-CZ 3.75Å; F791-Y793 HydrophobicContact CD2-CE2 4.11Å; F791-Y793 AromaticContact CE1-CD1 3.44Å; F791-Y793 HydrophobicContact CE1-CD1 3.44Å; F791-Y793 VanDerWaalsContact CE1-CD1 3.44Å; F791-Y793 AromaticContact CE1-CD2 3.62Å; F791-Y793 HydrophobicContact CE1-CD2 3.62Å; F791-Y793 AromaticContact CE1-CE1 3.4Å; F791-Y793 HydrophobicContact CE1-CE1 3.4Å; F791-Y793 VanDerWaalsContact CE1-CE1 3.4Å; F791-Y793 AromaticContact CE1-CE2 3.58Å; F791-Y793 HydrophobicContact CE1-CE2 3.58Å; F791-Y793 AromaticContact CE1-CG 3.53Å; F791-Y793 HydrophobicContact CE1-CG 3.53Å; F791-Y793 AromaticContact CE1-CZ 3.45Å; F791-Y793 VanDerWaalsContact CE1-CZ 3.45Å; F791-Y793 HydrophobicContact CE2-CE2 4.29Å; F791-Y793 AromaticContact CG-CD2 3.76Å; F791-Y793 HydrophobicContact CG-CD2 3.76Å; F791-Y793 AromaticContact CG-CE2 3.64Å; F791-Y793 HydrophobicContact CG-CE2 3.64Å; F791-Y793 HydrophobicContact CG-CG 4.44Å; F791-Y793 HydrophobicContact CZ-CD1 4.29Å; F791-Y793 AromaticContact CZ-CE1 3.79Å; F791-Y793 HydrophobicContact CZ-CE1 3.79Å; F791-Y793 HydrophobicContact CZ-CE2 4.06Å; F791-Y793 AromaticContact CZ-CZ 3.64Å; F791-Y793 PolarHBondContact O-N 2.9Å; Y793-M795 PolarHBondContact O-N 3.46Å
794P48.1Very low48.6Very low92 Ų92137.8 Ų137.860%0.59772%0.72SS**  trans-55.5121.4173.524.6-32.2000105.3D792 M796D792-P794 WeakPolarHBondContact O-CD 3.45Å; D792-P794 VanDerWaalsContact O-N 3.08Å; P794-M796 HydrophobicContact CG-CE 4.13Å; P794-M796 PolarHBondContact O-N 3.42Å
795M44.8Very low48.1Very low162 Ų162140.1 Ų140.180%0.79873%0.726SS**  trans-51.9113.4-175.6-94.2-16569.300107.5Y793 N797Y793-M795 PolarHBondContact O-N 3.46Å; M795-N797 PolarHBondContact O-N 2.95Å
796M48Very low47.5Very low165 Ų165137.8 Ų137.881%0.81373%0.733SS**  trans-71.170.6167.1-72.9-62.9150.900106.8P794 P798P794-M796 HydrophobicContact CG-CE 4.13Å; P794-M796 PolarHBondContact O-N 3.42Å; M796-P798 VanDerWaalsContact O-CD 3.31Å; M796-P798 WeakPolarHBondContact O-CD 3.4Å
797N50.2Low46.9Very low118 Ų118133.6 Ų133.663%0.63173%0.734SS**  trans-60.5106.7177.1177.791.3000104.9M795M795-N797 PolarHBondContact O-N 2.95Å
798P52.2Low46.9Very low93 Ų93133.9 Ų133.960%0.60473%0.731SS**  trans-54.9132.5-165.220.8-33.1000108.4M796 N800M796-P798 VanDerWaalsContact O-CD 3.31Å; M796-P798 WeakPolarHBondContact O-CD 3.4Å; P798-N800 PolarHBondContact O-N 2.99Å
799P45.8Very low46.5Very low121 Ų121134.5 Ų134.579%0.78674%0.735SS**  trans-71.474.3-167.527.9-35.6000110.8T801P799-T801 PolarHBondContact O-N 2.83Å
800N46Very low46.2Very low143 Ų143129.7 Ų129.777%0.76573%0.73SS**  trans-76.3102-173.1-160.7-7.9000108.1P798 S802P798-N800 PolarHBondContact O-N 2.99Å; N800-S802 VanDerWaalsContact C-N 3.33Å; N800-S802 PolarHBondContact O-N 2.76Å
801T46Very low46.3Very low133 Ų133131.2 Ų131.282%0.81674%0.739SS**  trans-69.579.5-162.3390000112.7P799P799-T801 PolarHBondContact O-N 2.83Å
802S46.9Very low46.1Very low106 Ų106129.1 Ų129.174%0.74174%0.74SS**  trans-138.798.6174.1-80.80000112.4N800 S804N800-S802 VanDerWaalsContact C-N 3.33Å; N800-S802 PolarHBondContact O-N 2.76Å; S802-S804 PolarHBondContact O-N 3.01Å
803R41.6Very low46Very low252 Ų252125.4 Ų125.495%0.95173%0.729SS**  trans-41.7128.2172.3-57.6164.4179163-2.8112.9
804S41.8Very low45.3Very low121 Ų121123.3 Ų123.385%0.84673%0.729SS**  trans-146.9115.1131.5-168.60000109.1S802S802-S804 PolarHBondContact O-N 3.01Å
805T47.9Very low45.4Very low132 Ų132123 Ų12381%0.8173%0.726SS**PPolyproline II helixtrans-68.4143.3177.543.50000111.2
806S43.2Very low44.7Very low103 Ų103124.7 Ų124.772%0.7273%0.733SS**PPolyproline II helixtrans-64.4148.1166.942.10000111.5
807P42.3Very low44.4Very low132 Ų132123.2 Ų123.286%0.85773%0.733SS**PPolyproline II helixtrans-76.7120.2164.831-30.5000109.2
808V46.4Very low43.5Very low107 Ų107121.5 Ų121.565%0.64873%0.727SS**PPolyproline II helixtrans-89.7160176.575.30000111.1T810V808-T810 PolarHBondContact O-N 2.71Å
809S43Very low42.9Very low92 Ų92119.3 Ų119.364%0.64371%0.712SS**PPolyproline II helixtrans-49.7128.5173.1-46.60000112.3
810T43Very low42.5Very low124 Ų124116.2 Ų116.276%0.76169%0.691SS**PPolyproline II helixtrans-87.7128.9179.842.50000112.6V808V808-T810 PolarHBondContact O-N 2.71Å
811T50.6Low42.2Very low126 Ų126114.1 Ų114.177%0.77368%0.683SS**  trans-111.7172.1179.341.50000113.7T820T811-T820 WeakPolarHBondContact O-CG2 3.34Å
812S44.4Very low41.6Very low83 Ų83115.3 Ų115.358%0.5869%0.685SS**  trans-66.8119.7-151.2-70.30000122.9T819 T820S812-T819 WeakPolarHBondContact CB-OG1 3.28Å; S812-T819 PolarHBondContact OG-OG1 2.91Å; S812-T820 WeakPolarHBondContact CA-OG1 3.35Å
813A44.6Very low41Very low60 Ų60116 Ų11650%0.49668%0.684SS.*  trans-148.9153.3146.400000109.4T819 T820A813-T819 CarbonylContact O-C 3.43Å; A813-T819 WeakPolarHBondContact O-CA 3.47Å; A813-T820 PolarHBondContact O-N 2.87Å
814N33.9Very low40.6Very low125 Ų125108.7 Ų108.767%0.66867%0.672SS**  cis-153.5172.43.9-155.735.6000108.5T818N814-T818 WeakPolarHBondContact O-CA 3.24Å; N814-T818 PolarHBondContact O-N 3.47Å
815P49.9Very low40.1Very low84 Ų84108.2 Ų108.255%0.54566%0.664SS.*SBendtrans-61.5152178.2-21.232.2000115.5T818P815-T818 WeakPolarHBondContact CA-OG1 3.39Å; P815-T818 HydrophobicContact CG-CG2 3.72Å
816Q31.2Very low39.4Very low199 Ų199108.3 Ų108.393%0.9367%0.665SS**SBendcis-112138-1.4-64.8176.3-16.100111.2
817T40.4Very low39Very low133 Ų133110.7 Ų110.782%0.81667%0.667SS**SBendcis-84.7108.2-31.246.30000108.4T819T817-T819 PolarHBondContact O-N 3.46Å
818T32.5Very low38.6Very low83 Ų83110.6 Ų110.651%0.50966%0.664SS.*  15.389.6127-90000110.7N814 P815N814-T818 WeakPolarHBondContact O-CA 3.24Å; N814-T818 PolarHBondContact O-N 3.47Å; P815-T818 WeakPolarHBondContact CA-OG1 3.39Å; P815-T818 HydrophobicContact CG-CG2 3.72Å
819T38.9Very low38.1Very low47 Ų47109.6 Ų109.629%0.28867%0.666SS.*SBendcis-175.5141.530.935.90000109.9S812 A813 T817S812-T819 WeakPolarHBondContact CB-OG1 3.28Å; S812-T819 PolarHBondContact OG-OG1 2.91Å; A813-T819 CarbonylContact O-C 3.43Å; A813-T819 WeakPolarHBondContact O-CA 3.47Å; T817-T819 PolarHBondContact O-N 3.46Å
820T38.9Very low37.8Very low55 Ų55109.9 Ų109.934%0.33767%0.668SS.*  trans50.299.5-174.144.10000113.2T811 S812 A813T811-T820 WeakPolarHBondContact O-CG2 3.34Å; S812-T820 WeakPolarHBondContact CA-OG1 3.35Å; A813-T820 PolarHBondContact O-N 2.87Å
821T39Very low37.4Very low100 Ų100111 Ų11161%0.61367%0.67SS**  cis40.399.842.635.80000111.7
822N33.8Very low36.9Very low157 Ų157110.5 Ų110.584%0.8467%0.667SS**  cis60.771.825.1-129.311.7000111.8
823T34Very low36.7Very low120 Ų120113.9 Ų113.974%0.73668%0.677SS**  trans-133.9111.1159.342.10000107.4
824S32.4Very low36.3Very low99 Ų99115.7 Ų115.769%0.69268%0.683SS**  8111172.3-67.50000111.8
825T31.8Very low36.3Very low112 Ų112116.8 Ų116.869%0.68769%0.689SS**  74.781.488.1-48.10000113.1M827T825-M827 HydrophobicContact CG2-CE 4.36Å
826T32.6Very low35.7Very low134 Ų134116.5 Ų116.582%0.82269%0.689SS**  trans-116108.1136.330.60000106.4
827M35.2Very low36Very low153 Ų153111.9 Ų111.975%0.75468%0.676SS**  65.5122.779.6-57.8-90-17900109.3T825T825-M827 HydrophobicContact CG2-CE 4.36Å
828T33.5Very low35.9Very low130 Ų130109.4 Ų109.480%0.79867%0.665SS**  cis-145156.83845.40000115.2
829A36.5Very low36.3Very low85 Ų85109 Ų10970%0.70266%0.664SS**  trans9.6137.3148.900000119.2
830S36.1Very low36.2Very low98 Ų98114.7 Ų114.769%0.68569%0.691SS**  cis-163.3153.949.5-55.20000113.6
831N34.4Very low35.9Very low148 Ų148118.6 Ų118.679%0.79171%0.71SS**  trans33.5134.5142.1-42.8-14.7000118.8
832T41.1Very low35.8Very low115 Ų115119.8 Ų119.871%0.70672%0.717SS**  cis-168.2118.942.3-38.90000112.4
833I39.4Very low35.7Very low154 Ų154119.6 Ų119.679%0.7972%0.716SS**  trans45.8143.4133.6-51173.8000120.5
834P37.4Very low35.6Very low98 Ų98119 Ų11964%0.63671%0.714SS**  cis-123.6-174.3-29.134.7-12.8000111.9
835N33.7Very low35.4Very low148 Ų148118.5 Ų118.579%0.79171%0.71SS**  58.3156.550-31.1-41.7000114.6
836S37.2Very low35.3Very low79 Ų79120.8 Ų120.855%0.55272%0.718SS**  cis-164.6153.810.645.10000112Y852S836-Y852 WeakPolarHBondContact O-CE2 3.13Å; S836-Y852 PolarHBondContact O-OH 3.22Å
837P36.5Very low35.3Very low101 Ų101119.1 Ų119.166%0.65671%0.712SS**  trans-89.1-175-169.238.3-40.4000117.4Y852P837-Y852 HydrophobicContact CB-CE1 4.48Å
838S38.1Very low35.1Very low82 Ų82119.4 Ų119.457%0.57372%0.716SS**  trans107.4158.6153.5-60.50000118.7
839P42.1Very low35Very low75 Ų75118.5 Ų118.549%0.48772%0.715SS.*  trans-108.2162.7-162.140.7-34.4000115.5N854P839-N854 HydrophobicContact CB-CB 4.33Å; P839-N854 HydrophobicContact CG-CB 4.32Å
840L36.8Very low34.8Very low166 Ų166121.4 Ų121.487%0.86972%0.718SS**  trans-179143.9149.6-103.9166.2000112.8
841N33.3Very low34.6Very low137 Ų137121.7 Ų121.773%0.73372%0.715SS**  trans32.4159.4141.3-150.710.7000124
842V35.8Very low34.6Very low124 Ų124121.1 Ų121.175%0.75270%0.703SS**  trans69.1127.5166.2-58.70000121.6
843N31.1Very low34.7Very low153 Ų153120 Ų12082%0.81870%0.697SS**  trans-49155.1151.2-101.7-47.9000111.6
844P32.4Very low34.4Very low107 Ų107119.4 Ų119.470%0.69570%0.695SS**  cis-149.2-170.147.144.5-24.9000116.8
845S29.4Very low34.3Very low89 Ų89119.6 Ų119.662%0.62270%0.699SS**  trans-4.4140.1152.863.80000120.6
846L29.5Very low34.3Very low160 Ų160120.9 Ų120.984%0.83871%0.705SS**  trans78.6129.1155.2-61.8157.7000118.1
847S32.5Very low34.1Very low100 Ų100120.8 Ų120.870%0.69972%0.717SS**  trans70.198.5148.7-55.90000120.2
848N29.5Very low33.9Very low159 Ų159126 Ų12685%0.8573%0.729SS**  trans58.9138.2141.2-57.6-10.3000121.4
849S32.4Very low34.1Very low110 Ų110127.1 Ų127.177%0.76974%0.735SS**  trans82132156-85.60000122
850I32.8Very low33.6Very low147 Ų147131.6 Ų131.675%0.75475%0.754SS**  trans80.6101139.4-62.5165000120.3
851V32.2Very low33.4Very low104 Ų104126.8 Ų126.863%0.6375%0.745SS**  trans52.4124138.1-163.50000122.1
852Y33.2Very low33.8Very low136 Ų136127.2 Ų127.253%0.53375%0.753SS.*  160.8158.4124.5-86.4-60.8000113.5S836 P837S836-Y852 WeakPolarHBondContact O-CE2 3.13Å; S836-Y852 PolarHBondContact O-OH 3.22Å; P837-Y852 HydrophobicContact CB-CE1 4.48Å
853P42.8Very low33.5Very low90 Ų90128.6 Ų128.658%0.58476%0.756SS**  trans-120.1153.8-177.140.8-30.1000116.3
854N33Very low34Very low142 Ų142126 Ų12676%0.75975%0.748SS**  trans-177.5-178.2135.1-105.3-41.6000113.8P839P839-N854 HydrophobicContact CB-CB 4.33Å; P839-N854 HydrophobicContact CG-CB 4.32Å
855S35.8Very low34.2Very low103 Ų103127.4 Ų127.472%0.7275%0.75SS**  trans-106.3-177.6-160.6-166.30000116.3
856L34Very low34.8Very low174 Ų174128.5 Ų128.591%0.91175%0.752SS**  trans90.7130.4168.4-52.7174.1000118.7
857G33Very low34.9Very low77 Ų77127.7 Ų127.779%0.79475%0.749SS**  trans142.9102.1161.100000117.3
858F33.4Very low35.3Very low211 Ų211131.3 Ų131.393%0.92575%0.754SS**  trans-87.7-176.2161-60.4-92.6000109.9
859P41.7Very low35.6Very low106 Ų106130.4 Ų130.469%0.68875%0.749SS**  cis-139.8-176.4-0.943.3-25.1000116.9
860N31.7Very low35.8Very low168 Ų168132.3 Ų132.390%0.89875%0.75SS**  trans57.6141.3146.5-73.5-9.7000123.3
861G33Very low36Very low66 Ų66128.9 Ų128.968%0.6874%0.739SS**  trans161.174.5152.400000119.6
862T40Very low36.2Very low145 Ų145129.9 Ų129.989%0.8974%0.74SS**  trans46122147.553.10000122.7
863N30.9Very low36.6Very low153 Ų153130.8 Ų130.882%0.81875%0.753SS**  trans-68.6170.9150.5-122.2-27.4000110.4
864P40.4Very low36.2Very low100 Ų100131.6 Ų131.665%0.64976%0.758SS**  cis-150.4-174.743.843.4-21.9000118.8
865D37.1Very low36.5Very low136 Ų136131.2 Ų131.273%0.72776%0.761SS**  trans91.6133.7139-83.2-41.7000125.4
866V41.5Very low36.5Very low111 Ų111130.4 Ų130.467%0.67377%0.769SS**  trans57.1111.4150.6-570000125
867N33Very low36.8Very low144 Ų144126.9 Ų126.977%0.7776%0.759SS**  42.1115.3123.4-56-42.5000121.6
868Q39.7Very low37.4Very low175 Ų175129.2 Ų129.282%0.81876%0.758SS**  -179.5154.6105.9-104.1178.8102.100116.1
869L36.8Very low37.7Very low140 Ų140124.3 Ų124.373%0.73375%0.747SS**  trans67.292.4152.1-66.9165.4000121.8
870L35.4Very low37.2Very low151 Ų151127.8 Ų127.879%0.79175%0.752SS**  76.8112.8109-160.566.2000121.8
871S37.8Very low37Very low74 Ų74124.2 Ų124.252%0.51774%0.739SS.*  trans87.1120.4139.3710000123.2
872N35.7Very low37Very low125 Ų125125.6 Ų125.667%0.66873%0.734SS**  trans90.799.6130.2-67.32.3000122.9
873I42.6Very low36.6Very low156 Ų156125.4 Ų125.480%0.873%0.728SS**  83.1139.9126.6-70.9170.9000117.1
874P33.5Very low36.6Very low107 Ų107124.2 Ų124.270%0.69572%0.722SS**  trans-115.1157.5-136.139.9-31.6000115.8
875T39.7Very low36.4Very low133 Ų133126.4 Ų126.482%0.81673%0.727SS**  trans-129.4127.9162.746.80000110.5
876G35.8Very low36Very low86 Ų86122.6 Ų122.689%0.88772%0.72SS**  trans-103.4134.6172.500000110.2
877S39.4Very low35.7Very low100 Ų100126.5 Ų126.570%0.69973%0.728SS**  trans-142.311717940.10000112.5
878T46.3Very low35.4Very low126 Ų126126 Ų12677%0.77373%0.726SS**  trans42.6147.2132.359.40000121.2
879P39.6Very low35.2Very low108 Ų108124.1 Ų124.170%0.70173%0.726SS**SBend-111.7140.3108.9-11.128.8000114
880F31.2Very low34.7Very low179 Ų179125.2 Ų125.279%0.78573%0.728SS**  trans41.2104.4145.5-50.7-54.5000119.4
881C27.4Very low34.5Very low94 Ų94128.4 Ų128.464%0.63574%0.735SS**  81.11546685.40000113.9
882T32.3Very low34.1Very low94 Ų94127.6 Ų127.658%0.57774%0.739SS**  cis-157.9159.526.6-15.90000112.8
883N33Very low33.8Very low142 Ų142130.4 Ų130.476%0.75975%0.748SS**  trans70.3155.2150.5-66.1-24.9000120.4
884N30.7Very low33.2Very low128 Ų128132.3 Ų132.368%0.68475%0.751SS**  cis-167.3161.5-32.6-168.513.2000108.8
885L36.2Very low33.2Very low146 Ų146131.8 Ų131.876%0.76474%0.742SS**  trans65.4151.1178.3-53112.9000114.6
886G29Very low33Very low56 Ų56131.3 Ų131.358%0.57774%0.741SS**  cis163.4149.6-900000112
887F34Very low32.8Very low193 Ų193131 Ų13185%0.84672%0.715SS**  trans65.8113.8178.7-48.9-82000114.5
888N27.5Very low32.6Very low134 Ų134129.6 Ų129.672%0.71770%0.7SS**  cis68.295.546.3-166.72.1000113.7
889T34.5Very low31.8Very low135 Ų135127 Ų12783%0.82868%0.684SS**  -156.2152.6124.3-73.90000109.5
890Q28Very low31.6Very low163 Ų163128.4 Ų128.476%0.76268%0.683SS**  trans-69.1150.9-173.9-59.3153.36.300113.6
891F29.7Very low31.7Very low217 Ų217123.5 Ų123.595%0.95267%0.669SS**  trans144.6125.6154.9-85.1-64.9000106.6
892G29.7Very low32.1Very low57 Ų57126.4 Ų126.459%0.58868%0.684SS**  cis135.473.718.200000107
893Q30.5Very low32.1Very low185 Ų185124.9 Ų124.986%0.86469%0.687SS**  51.880.9102.1-168.9-170.118.200112.9
894F28.6Very low31.9Very low196 Ų196123.6 Ų123.686%0.8669%0.689SS**  trans-145.3102.8154.5-92.3-67000111.8
895N33.2Very low32Very low96 Ų96125.4 Ų125.451%0.51370%0.698SS.*  trans-80.1123148.7-68.7-26.3000106.6Y465 F897Y465-N895 PolarHBondContact OH-ND2 2.88Å; N895-F897 HydrophobicContact CB-CB 4.35Å; N895-F897 HydrophobicContact CB-CD2 4.25Å; N895-F897 PolarHBondContact O-N 3.21Å
896P35.9Very low31.8Very low122 Ų122124.1 Ų124.179%0.79270%0.699SS**  trans-83.355168.635.7-34.5000109.8
897F32.7Very low31.8Very low79 Ų79125.2 Ų125.235%0.34670%0.702SS.*  trans-126.1130.8-176.1-80.7-75.1000111.1L463 Y465 N895L463-F897 HydrophobicContact CB-CE2 3.6Å; L463-F897 HydrophobicContact CB-CZ 3.69Å; L463-F897 HydrophobicContact CD1-CE2 3.95Å; L463-F897 HydrophobicContact CG-CE2 4.43Å; L463-F897 WeakPolarHBondContact O-CZ 3.35Å; Y465-F897 HydrophobicContact CD1-CB 4.46Å; Y465-F897 HydrophobicContact CD2-CB 3.4Å; Y465-F897 AromaticContact CD2-CD1 3.64Å; Y465-F897 HydrophobicContact CD2-CD1 3.64Å; Y465-F897 AromaticContact CD2-CD2 3.36Å; Y465-F897 HydrophobicContact CD2-CD2 3.36Å; Y465-F897 HydrophobicContact CD2-CE1 4.13Å; Y465-F897 AromaticContact CD2-CE2 3.91Å; Y465-F897 HydrophobicContact CD2-CE2 3.91Å; Y465-F897 AromaticContact CD2-CG 3.18Å; Y465-F897 HydrophobicContact CD2-CG 3.18Å; Y465-F897 HydrophobicContact CD2-CZ 4.25Å; Y465-F897 HydrophobicContact CE2-CB 3.89Å; Y465-F897 AromaticContact CE2-CD2 3.74Å; Y465-F897 HydrophobicContact CE2-CD2 3.74Å; Y465-F897 HydrophobicContact CE2-CE2 4.41Å; Y465-F897 AromaticContact CE2-CG 3.9Å; Y465-F897 HydrophobicContact CE2-CG 3.9Å; Y465-F897 HydrophobicContact CG-CB 3.73Å; Y465-F897 AromaticContact CG-CD1 3.95Å; Y465-F897 HydrophobicContact CG-CD1 3.95Å; Y465-F897 HydrophobicContact CG-CD2 4.39Å; Y465-F897 AromaticContact CG-CG 3.8Å; Y465-F897 HydrophobicContact CG-CG 3.8Å; N895-F897 HydrophobicContact CB-CB 4.35Å; N895-F897 HydrophobicContact CB-CD2 4.25Å; N895-F897 PolarHBondContact O-N 3.21Å
898L33.6Very low31.9Very low71 Ų71123.9 Ų123.937%0.37270%0.704SS.*  trans73.593.4168.5-51.6171.7000116.9Y465 L467Y465-L898 HydrophobicContact CD1-CD1 3.48Å; Y465-L898 VanDerWaalsContact CD1-CD1 3.48Å; Y465-L898 HydrophobicContact CD1-CG 4.26Å; Y465-L898 HydrophobicContact CE1-CD1 4.25Å; Y465-L898 HydrophobicContact CG-CD1 4.07Å; Y465-L898 HydrophobicContact CG-CG 4.39Å; L467-L898 HydrophobicContact CB-CD1 4.36Å; L467-L898 VanDerWaalsContact O-CD1 3.25Å; L467-L898 WeakPolarHBondContact O-CD1 3.49Å
899T31.4Very low32.1Very low73 Ų73120.6 Ų120.645%0.44870%0.701SS.*  44118.2123.2-45.30000119.6L468L468-T899 HydrophobicContact CB-CG2 4.02Å; L468-T899 HydrophobicContact CD2-CG2 4.17Å
900M35.2Very low31.9Very low136 Ų136123 Ų12367%0.6771%0.708SS**  -175.1146.7114.7-94-58.2-92.800110.8L468L468-M900 HydrophobicContact CD2-CG 3.72Å; L468-M900 HydrophobicContact CD2-SD 4.14Å
901P33.4Very low32.1Very low77 Ų77118.4 Ų118.450%0.571%0.705SS.*  trans-96.5138.9174.935.8-31.1000112.7
902T34.7Very low32.3Very low155 Ų155116 Ų11695%0.95170%0.701SS**  trans-175.3157.7140.913.60000108.3
903G31.7Very low32.7Very low62 Ų62121.3 Ų121.364%0.63971%0.711SS**  trans-123.2178.2-176.400000113.9
904S29.8Very low33.2Very low115 Ų115117 Ų11780%0.80470%0.699SS**  trans83.8142.9164.6-31.90000117.7
905L32Very low33.6Very low165 Ų165112.7 Ų112.786%0.86469%0.693SS**  trans78.2158.4163.5-49.8177000115
906P32.6Very low33.8Very low120 Ų120112.7 Ų112.778%0.77970%0.701SS**  -136.8-160.8-9533-8.4000114.2
907A30Very low33.9Very low78 Ų78111 Ų11165%0.64569%0.688SS**  trans-66.5168.6-17400000116.8
908N34.6Very low34.2Very low165 Ų165113.6 Ų113.688%0.88270%0.704SS**  trans78.7145.7173-47.3-27.5000115.5
909G31.8Very low34.3Very low65 Ų65114.8 Ų114.867%0.6772%0.719SS**  cis130123.3-600000113.3
910L30.7Very low34.5Very low185 Ų185116.3 Ų116.397%0.96973%0.732SS**  trans67.8161.4-175.5-40.2175.9000113
911G32.6Very low34.5Very low68 Ų68114.8 Ų114.870%0.70174%0.735SS**  cis166.1159.5-6.600000109.7
912L34.4Very low34.5Very low166 Ų166115.9 Ų115.987%0.86974%0.744SS**  cis-163.3-178.6-5.1-110.3175.1000112.4
913Q36.4Very low34.5Very low169 Ų169114.6 Ų114.679%0.7974%0.736SS**  trans-50.6-169.1167.2-104.6-171.313.800118.4
914P42.7Very low34.5Very low95 Ų95116 Ų11662%0.61774%0.741SS**  cis-145.2-168.2-2335.6-13.5000117.2
915S35.9Very low34.6Very low105 Ų105115.1 Ų115.173%0.73474%0.735SS**  trans81.7149.7146.1-67.70000120.3
916S37.1Very low34.5Very low96 Ų96113.4 Ų113.467%0.67173%0.732SS**  cis179.7175.3-8.655.50000108.4
917T38.1Very low34.3Very low86 Ų86112.7 Ų112.753%0.52873%0.729SS.*  cis-166.9178.33.6-9.10000110.2
918I40.1Very low34.2Very low134 Ų134113.5 Ų113.569%0.68774%0.736SS**  trans76.8150.3146.8-82160.9000119.8
919S35.6Very low34.1Very low96 Ų96111.7 Ų111.767%0.67173%0.732SS**  cis-170160-34.7-86.20000114
920S34.8Very low34.2Very low105 Ų105115.2 Ų115.273%0.73474%0.739SS**  trans59.9117144.662.90000125.6
921S35.3Very low34.6Very low103 Ų103111.4 Ų111.472%0.7273%0.726SS**  81.8105.1121.870.80000125.5
922S34.6Very low34.6Very low100 Ų100112.5 Ų112.570%0.69972%0.723SS**  84.2159.6115.776.70000123.4
923T33.2Very low34.4Very low129 Ų129111.4 Ų111.479%0.79172%0.718SS**  trans73.6121.2174.570.20000114.9
924A31.7Very low34.3Very low90 Ų90110.8 Ų110.874%0.74472%0.715SS**  78.9142.38800000112.6
925S31.8Very low33.9Very low97 Ų97113.3 Ų113.368%0.67872%0.722SS**  cis-174.2168.3-5.641.50000110
926V29.7Very low33.9Very low129 Ų129111.3 Ų111.378%0.78272%0.718SS**  trans55.3134.4157.1-68.90000121.9
927S28.4Very low33.9Very low105 Ų105114.3 Ų114.373%0.73473%0.726SS**  trans72.8101.5137.9-64.70000122.4
928A28.1Very low33.8Very low96 Ų96115 Ų11579%0.79374%0.735SS**  76.8175.8113.300000120.5
929T34.1Very low33.9Very low127 Ų127114 Ų11478%0.77974%0.737SS**  trans85.775.3171.3-31.30000117P931T929-P931 WeakPolarHBondContact O-CD 3.28Å
930V34Very low34Very low138 Ų138115.7 Ų115.784%0.83674%0.743SS**  trans-44.1136146.9168.70000110.8
931P37.6Very low34Very low105 Ų105116.3 Ų116.368%0.68274%0.738SS**  -149.3156.1120.837.8-22.4000117T929T929-P931 WeakPolarHBondContact O-CD 3.28Å
932S33.9Very low34Very low92 Ų92118.4 Ų118.464%0.64374%0.74SS**  trans72.9126.6148-76.70000119.6
933N30.2Very low33.9Very low142 Ų142121.7 Ų121.776%0.75974%0.742SS**  72.3142.966.1-64.3-47.7000111.8
934Q33.6Very low34.2Very low157 Ų157120.6 Ų120.673%0.73474%0.738SS**  cis-16616328.1-144.7172.38900113
935I34.6Very low34.1Very low147 Ų147120.6 Ų120.675%0.75473%0.732SS**  trans83.5126.1161.2-54.2147.2000113.7
936G34.6Very low34.3Very low63 Ų63124.5 Ų124.565%0.64974%0.739SS**  cis124.9137.137.800000106.6
937N37.2Very low34.5Very low159 Ų159126 Ų12685%0.8574%0.742SS**  cis-146.8167.925.2-68.8-37.3000114.5
938S36.1Very low34.8Very low102 Ų102129 Ų12971%0.71375%0.749SS**  trans-52.9170.3169.954.50000116.1
939P44Very low35.1Very low111 Ų111130.4 Ų130.472%0.72175%0.75SS**  cis-144.1145.330.444.8-24.9000119
940V37.2Very low34.8Very low133 Ų133129.6 Ų129.681%0.80675%0.749SS**  67.4124.8100.8-178.30000114.4
941N34.6Very low34.7Very low117 Ų117131.2 Ų131.263%0.62675%0.75SS**  cis-138.6-127.43.9-155.6-4.9000111.1
942L35.4Very low34.3Very low147 Ų147132.8 Ų132.877%0.7776%0.757SS**  cis-151.966.7-0.1-146.7176.3000113.8
943F31.6Very low34.2Very low170 Ų170134 Ų13475%0.74677%0.766SS**  trans67156.5157.5-81.2-101.7000122.6
944P39.4Very low34.6Very low106 Ų106130.7 Ų130.769%0.68876%0.758SS**  trans-134-159.4-170.841.1-19.8000114.3
945S30.8Very low35Very low89 Ų89127.5 Ų127.562%0.62275%0.751SS**  trans108.3120.6151.8-40.20000118.7
946H35.6Very low34.9Very low179 Ų179126.7 Ų126.783%0.82975%0.748SS**  trans-169.1106.5145.137.7-85.3000105.4
947L33.8Very low34.8Very low160 Ų160131.5 Ų131.584%0.83875%0.751SS**  61113.650.8-67.6169.5000113.9
948L35.2Very low34.6Very low169 Ų169128.2 Ų128.289%0.88574%0.741SS**  trans-52.4151.9167.7-64.9140.7000111
949P33.9Very low34.4Very low126 Ų126130.1 Ų130.182%0.81874%0.741SS**  -146.1-177.29040.3-24.3000115.8
950S27.7Very low33.9Very low109 Ų109131.8 Ų131.876%0.76274%0.743SS**  trans-77.5-164.1171.2-168.50000112.6
951M31.8Very low33.5Very low173 Ų173128.3 Ų128.385%0.85273%0.734SS**  trans94.3106.8-177.4-56.1178.1-179.300113.4
952V29.3Very low33.3Very low137 Ų137127.9 Ų127.983%0.8374%0.74SS**  69.3101.273.2175.50000112.5
953S32Very low32.9Very low119 Ų119128.3 Ų128.383%0.83274%0.738SS**  -179.4160.2107.1-146.50000112.4
954A39.2Very low32.8Very low72 Ų72129.2 Ų129.260%0.59574%0.742SS**  trans-88.6170.8169.600000111.6
955P41.2Very low32.3Very low89 Ų89130.6 Ų130.658%0.57874%0.739SS**  -131.5145.394.838.9-29.9000112.3
956N33.4Very low32.1Very low130 Ų130129.6 Ų129.670%0.69574%0.742SS**  59.3112.461.4-78.1-14.4000114.7
957F32.3Very low31.8Very low165 Ų165129.6 Ų129.672%0.72474%0.741SS**  -164.6114.8108.8-92-69.6000106.9
958S31.5Very low31.6Very low90 Ų90128.5 Ų128.563%0.62974%0.736SS**  77.4146.7109.3-74.20000115.2
959I33Very low31.4Very low141 Ų141126 Ų12672%0.72373%0.727SS**  cis-149.9162.712.3-132.9158.2000111.8
960I32.4Very low31.2Very low146 Ų146124.6 Ų124.675%0.74972%0.72SS**  trans4.1135.9159.2-52.3153.2000117.7
961G29.8Very low31.5Very low60 Ų60126.1 Ų126.162%0.61972%0.719SS**  cis124.5146.12.300000114.5
962S29.6Very low31.5Very low108 Ų108123.2 Ų123.276%0.75571%0.707SS**  trans57.2131.2158.358.70000122
963H28.6Very low31.7Very low157 Ų157123.2 Ų123.273%0.72770%0.702SS**  trans42.2120.3144.5-82.5-100.9000120.5
964F29.4Very low31.8Very low188 Ų188121.7 Ų121.783%0.82569%0.692SS**  -173.1127.8103.5-114-114.1000107.5
965Q27.4Very low31.6Very low136 Ų136125.2 Ų125.264%0.63670%0.701SS**  85.3110.265.6-139.889.520.600113.9
966G27.3Very low31.6Very low67 Ų67127.7 Ų127.769%0.69171%0.709SS**  trans83.5164165.600000116.2
967F29.6Very low31.9Very low180 Ų180126.9 Ų126.979%0.78971%0.711SS**  cis-153.7150.15.4-93.1-77.2000112.3
968N28.3Very low31.9Very low137 Ų137126.2 Ų126.273%0.73371%0.708SS**  trans67149.1149-63.3-10.8000118.2
969T31.3Very low32Very low116 Ų116128.1 Ų128.171%0.71271%0.71SS**  cis-154.8140.7-6.410.40000107.6
970S29.8Very low32Very low96 Ų96127.1 Ų127.167%0.67171%0.711SS**  53.8118100.4-142.90000112.7
971L33.6Very low32.1Very low141 Ų141125 Ų12574%0.73871%0.709SS**  -166.9167.356.3-70.2163.1000107.4
972N32.8Very low32.3Very low113 Ų113127.7 Ų127.760%0.60472%0.718SS**  cis-166.1143.4-1.4-112.7-5.1000108.8
973N32.9Very low32.5Very low136 Ų136127.9 Ų127.973%0.72772%0.719SS**  trans57155.1145.1-50.3-5.8000120.1
974S33.8Very low33.1Very low87 Ų87126 Ų12661%0.60872%0.721SS**  cis178.7151.7-18.7-89.50000107.4
975D35.4Very low33.1Very low147 Ų147122 Ų12279%0.78672%0.717SS**  cis-164150.8-20.4-83.9-44.9000107.4
976D41.5Very low33.3Very low141 Ų141120.9 Ų120.975%0.75472%0.723SS**  trans-74-176.8172-64.8-67.2000112.7
977P39.7Very low33.5Very low112 Ų112122.8 Ų122.873%0.72773%0.726SS**  -155.613692.337.1-16.5000120.5
978F32.7Very low33.7Very low151 Ų151121.1 Ų121.166%0.66272%0.724SS**  43126.1126.9-72.1-106.6000121.3
979I33.7Very low33.7Very low131 Ų131122.7 Ų122.767%0.67273%0.727SS**  80.6147.860-64.3167.1000114.8
980T33.1Very low33.8Very low120 Ų120123.1 Ų123.174%0.73673%0.734SS**  trans106.8152.4163.867.80000118.8
981S33.2Very low34Very low101 Ų101121.6 Ų121.671%0.70673%0.734SS**  cis-175.4176.6-36.365.80000111.5
982S35Very low34Very low116 Ų116121.2 Ų121.281%0.81174%0.738SS**  trans86.4150.3151.277.50000121.7
983S34.2Very low33.9Very low112 Ų112123.6 Ų123.678%0.78375%0.749SS**  trans-102.6177-177.6-410000111.4
984P39.9Very low33.9Very low119 Ų119124.1 Ų124.177%0.77375%0.751SS**  -156.4151.787.839.7-19.8000119.2
985S30.2Very low34.1Very low104 Ų104125.1 Ų125.173%0.72776%0.756SS**  trans31.5123131.1-460000123.8
986S30.6Very low33.9Very low111 Ų111121.5 Ų121.578%0.77675%0.753SS**  61.5125.4128.767.80000122.5
987S32.2Very low33.5Very low108 Ų108121.9 Ų121.976%0.75575%0.753SS**  -171142.9119.531.70000114.6
988I33.7Very low33.5Very low144 Ų144122 Ų12274%0.73875%0.754SS**  trans50.493.1140.3-56.7171.2000116.7
989Q29.6Very low33.5Very low171 Ų171122.1 Ų122.180%0.79976%0.762SS**  63.2115.794.1-69.4177.9-25.600117.1
990S31.7Very low33.4Very low124 Ų124122.5 Ų122.587%0.86777%0.765SS**  173.5143117.1-77.80000112.8
991G34.6Very low33.2Very low65 Ų65124.5 Ų124.567%0.6776%0.764SS**  trans77.9104.3178.600000113
992T32.8Very low33.6Very low132 Ų132126.3 Ų126.381%0.8177%0.771SS**  59109.450.9-37.10000109.7
993I32.5Very low33.8Very low163 Ų163124.3 Ų124.384%0.83675%0.751SS**  -128.7137.254.5-68.1170.8000114
994L32.6Very low34.1Very low148 Ų148123.9 Ų123.978%0.77575%0.746SS**  trans-104.4174.1160.6-81.897000109.1
995P36.8Very low34.4Very low108 Ų108123.5 Ų123.570%0.70174%0.737SS**  cis-136-173.7-46.339.8-23.5000111.8I997P995-I997 HydrophobicContact CG-CD1 4.46Å
996G32.2Very low35.2Very low71 Ų71121 Ų12173%0.73272%0.723SS**  trans-171.9109.3160.800000109.7
997I33.6Very low35.9Very low149 Ų149123.5 Ų123.576%0.76472%0.724SS**  72.7125.855.2-56.9-178.4000111.3P995P995-I997 HydrophobicContact CG-CD1 4.46Å
998P37.8Very low36.4Very low113 Ų113121.7 Ų121.773%0.73472%0.716SS**  trans-106.1148-14939.2-33.6000115.6
999N34Very low36.6Very low155 Ų155118.2 Ų118.283%0.82971%0.709SS**  trans-128.3128.5169.6-60.1-36000105.6
1000N30.6Very low36.9Very low139 Ų139113.7 Ų113.774%0.74370%0.7SS**  cis57.9125.317.2-146.513.7000114.4
1001F29.8Very low37.2Very low161 Ų161111.9 Ų111.971%0.70669%0.693SS**  trans56.288.5-172.9-81-95.6000117.1
1002T40.6Very low37.1Very low140 Ų140112.4 Ų112.486%0.85969%0.691SS**  trans-125.788.5135.838.30000109.3
1003D39.1Very low37.1Very low74 Ų74110.1 Ų110.140%0.39669%0.685SS.*  trans-29.2132.6168.3-178.13.4000115.3N1005 A1006D1003-N1005 PolarHBondContact O-N 2.74Å; D1003-N1005 VanDerWaalsContact O-N 3.11Å; D1003-N1005 PolarHBondContact OD1-N 3.18Å; D1003-N1005 PolarHBondContact OD1-ND2 2.84Å; D1003-N1005 WeakPolarHBondContact OD2-CB 3.23Å; D1003-N1005 PolarHBondContact OD2-ND2 3.46Å; D1003-N1005 VanDerWaalsContact OD2-ND2 3.12Å; D1003-A1006 WeakPolarHBondContact O-CB 3.46Å; D1003-A1006 PolarHBondContact O-N 3.26Å
1004P41.9Very low37.1Very low103 Ų103107 Ų10767%0.66968%0.684SS**THydrogen-bonded Turntrans-51.1-28.5168.7-2836.3000114.8A1006P1004-A1006 PolarHBondContact O-N 2.87Å
1005N46Very low37Very low111 Ų111104.4 Ų104.459%0.59468%0.684SS**Hα-helixtrans-70-15.7175.8-52.1-57.8000113.2D1003 M1007 A1008 A1009D1003-N1005 PolarHBondContact O-N 2.74Å; D1003-N1005 VanDerWaalsContact O-N 3.11Å; D1003-N1005 PolarHBondContact OD1-N 3.18Å; D1003-N1005 PolarHBondContact OD1-ND2 2.84Å; D1003-N1005 WeakPolarHBondContact OD2-CB 3.23Å; D1003-N1005 PolarHBondContact OD2-ND2 3.46Å; D1003-N1005 VanDerWaalsContact OD2-ND2 3.12Å; N1005-M1007 PolarHBondContact O-N 2.93Å; N1005-A1008 WeakPolarHBondContact O-CB 3.47Å; N1005-A1008 PolarHBondContact O-N 3.46Å; N1005-A1009 PolarHBondContact O-N 3.2Å
1006A47Very low36.9Very low52 Ų52105.1 Ų105.143%0.4369%0.686SS.*Hα-helixtrans-67.9-34.5179.800000112.8D1003 P1004 A1009 A1010D1003-A1006 WeakPolarHBondContact O-CB 3.46Å; D1003-A1006 PolarHBondContact O-N 3.26Å; P1004-A1006 PolarHBondContact O-N 2.87Å; A1006-A1009 PolarHBondContact O-N 3.37Å; A1006-A1010 PolarHBondContact O-N 2.94Å
1007M45.2Very low37Very low162 Ų162108.9 Ų108.980%0.79869%0.689SS**Hα-helixtrans-73.2-28172.4-90.8-169.5172.700112.7N1005 A1009 A1010 A1011N1005-M1007 PolarHBondContact O-N 2.93Å; M1007-A1009 VanDerWaalsContact C-N 3.25Å; M1007-A1009 PolarHBondContact O-N 3.23Å; M1007-A1010 PolarHBondContact O-N 3.23Å; M1007-A1011 PolarHBondContact O-N 2.83Å
1008A41.9Very low37.1Very low71 Ų71111 Ų11159%0.58769%0.693SS**Hα-helixtrans-65.1-29.5173.700000112.5N1005N1005-A1008 WeakPolarHBondContact O-CB 3.47Å; N1005-A1008 PolarHBondContact O-N 3.46Å
1009A37.8Very low36.8Very low71 Ų71109.1 Ų109.159%0.58769%0.694SS**Hα-helixtrans-77.1-38.2173.500000113.2N1005 A1006 M1007 A1012N1005-A1009 PolarHBondContact O-N 3.2Å; A1006-A1009 PolarHBondContact O-N 3.37Å; M1007-A1009 VanDerWaalsContact C-N 3.25Å; M1007-A1009 PolarHBondContact O-N 3.23Å; A1009-A1012 PolarHBondContact O-N 3.05Å
1010A36.8Very low37Very low75 Ų75107 Ų10762%0.6270%0.698SS**Hα-helixtrans-72-31.6-177.400000113.6A1006 M1007 A1012A1006-A1010 PolarHBondContact O-N 2.94Å; M1007-A1010 PolarHBondContact O-N 3.23Å; A1010-A1012 PolarHBondContact O-N 2.83Å
1011A37.6Very low37.1Very low86 Ų86104 Ų10471%0.71170%0.701SS**G310 helixtrans-72.2-13.6177.100000114M1007M1007-A1011 PolarHBondContact O-N 2.83Å
1012A33.3Very low37.3Very low77 Ų77105.1 Ų105.164%0.63671%0.705SS**G310 helixtrans-84.8-3.5-174.100000114.9A1009 A1010A1009-A1012 PolarHBondContact O-N 3.05Å; A1010-A1012 PolarHBondContact O-N 2.83Å
1013A32.4Very low37.3Very low83 Ų83104 Ų10469%0.68670%0.7SS**G310 helixtrans-106.3-0.2-166.900000115.9
1014A31.3Very low37.2Very low97 Ų97106.3 Ų106.380%0.80272%0.717SS**SBendtrans-130.227.1-165.400000115.8
1015A32Very low36.9Very low95 Ų95108.3 Ų108.379%0.78572%0.722SS**SBendtrans-149.131.717800000115.1
1016T33.7Very low36.3Very low122 Ų122109 Ų10975%0.74873%0.732SS**  trans-128.152.2-176.135.30000113.8
1017L33.8Very low35.6Very low151 Ų151110 Ų11079%0.79175%0.747SS**  trans-162.3126.2166.9-13473.4000108.2
1018F35.4Very low35Very low193 Ų193106.7 Ų106.785%0.84675%0.746SS**  cis-105.8158-10.8-78.8-112.3000108
1019G33.4Very low34.5Very low73 Ų73113.5 Ų113.575%0.75376%0.762SS**  cis98.4140.543.500000109.3
1020A36.5Very low34.2Very low111 Ų111116 Ų11692%0.91777%0.771SS**  cis-150.9155.7-0.700000110.2
1021G33.7Very low33.9Very low77 Ų77117.7 Ų117.779%0.79478%0.784SS**  trans-174.231.2-173.100000117.2
1022F32.9Very low33.7Very low184 Ų184119.6 Ų119.681%0.80779%0.788SS**  trans-71.3138.6163.5-93.3-90.4000109.3
1023P41.1Very low34Very low116 Ų116120.8 Ų120.875%0.75379%0.789SS**  -136.316679.323.9-3.1000113.9
1024T37.4Very low34.1Very low122 Ų122122.9 Ų122.975%0.74880%0.796SS**  cis-161.8157.8-13.3-960000109
1025L34.6Very low34.3Very low146 Ų146122.1 Ų122.176%0.76478%0.784SS**  trans-61-178.8172-74.2161.4000113.1
1026P33.5Very low34.4Very low126 Ų126122.3 Ų122.382%0.81877%0.771SS**  cis-135.1-167.85.743.3-25.8000114.6
1027G33.7Very low34.4Very low72 Ų72120.7 Ų120.774%0.74276%0.763SS**  trans135.565.4144.600000117.9
1028A32.1Very low34.6Very low93 Ų93117.1 Ų117.177%0.76974%0.744SS**  trans-81.1140.8160.200000110.3
1029F31.4Very low34.4Very low213 Ų213110.5 Ų110.593%0.93472%0.722SS**  trans-132.1119.8158.8-103.4-79.7000110.2
1030T31.2Very low34.4Very low125 Ų125112 Ų11277%0.76771%0.712SS**  trans-90.7140.3-178.248.60000111.3
1031A31Very low34Very low109 Ų109114.4 Ų114.490%0.90171%0.705SS**  trans-143.758.3171.900000112.5
1032T34.1Very low33.9Very low127 Ų127115.3 Ų115.378%0.77970%0.695SS**  trans-90166.8156.544.60000109.8
1033P38.5Very low33.6Very low101 Ų101112.1 Ų112.166%0.65669%0.69SS**  cis-119.6-151.8-33.732.6-12.6000109.5
1034P35.9Very low33Very low128 Ų128114 Ų11483%0.83169%0.693SS**  -136171.295.338.8-28.7000114.4
1035S35.5Very low32.4Very low80 Ų80112.2 Ų112.256%0.55969%0.685SS**  trans-113.5-166.8-177.7-49.50000111.6
1036L33.2Very low32.1Very low99 Ų99112.7 Ų112.752%0.51869%0.685SS.*  trans82.3152.5177.1-40-170.3000115.1L558 G559L558-L1036 WeakPolarHBondContact O-CD2 3.14Å; G559-L1036 WeakPolarHBondContact O-CA 3.31Å; G559-L1036 WeakPolarHBondContact O-CD2 3.48Å
1037P32.9Very low32Very low89 Ų89113.1 Ų113.158%0.57868%0.68SS**  cis-106.1-162.1-9.811.313.7000113.7G559 C560 N561G559-P1037 CarbonylContact O-C 3.51Å; G559-P1037 VanDerWaalsContact O-CA 3.28Å; G559-P1037 WeakPolarHBondContact O-CA 3.49Å; C560-P1037 WeakPolarHBondContact CA-O 3.3Å; C560-P1037 WeakPolarHBondContact CB-O 3.46Å; N561-P1037 PolarHBondContact N-O 3.4Å; N561-P1037 PolarHBondContact OD1-O 3.07Å; N561-P1037 VanDerWaalsContact OD1-O 3.14Å
1038L37.9Very low32Very low76 Ų76115.2 Ų115.240%0.39868%0.679SS.*  trans-145.1149.9-178-158.5163.3000107.3N561N561-L1038 VanDerWaalsContact N-CG 3.34Å; N561-L1038 VanDerWaalsContact O-CD1 3.32Å; N561-L1038 WeakPolarHBondContact O-CD1 3.31Å
1039S32.7Very low32.1Very low54 Ų54116 Ų11638%0.37868%0.677SS.*  trans62.1104.6163.1-179.90000120.3Q1041S1039-Q1041 PolarHBondContact OG-OE1 3.28Å
1040L33.9Very low32.2Very low103 Ų103110.7 Ų110.754%0.53966%0.663SS.*  -149136.3126.2-75.6105.5000107.8
1041Q28.2Very low32Very low163 Ų163111.4 Ų111.476%0.76266%0.662SS**  cis97.930.2-5.5-139.9164.4-19.800119.5S1039S1039-Q1041 PolarHBondContact OG-OE1 3.28Å
1042T31.3Very low31.8Very low95 Ų95111.6 Ų111.658%0.58365%0.652SS**  trans-122.9115.3165.1-38.80000106.4I1044T1042-I1044 HydrophobicContact CG2-CD1 4.28Å
1043T25.5Very low31.5Very low117 Ų117111.4 Ų111.472%0.71865%0.651SS**  58.3161.961.275.50000113.9
1044I28.6Very low31Very low157 Ų157111.8 Ų111.881%0.80565%0.651SS**  trans71.1130.9178.5-53.2172.5000114T1042T1042-I1044 HydrophobicContact CG2-CD1 4.28Å
1045S26Very low30.7Very low84 Ų84111.1 Ų111.159%0.58765%0.645SS**  cis-165.6162-28.6-1470000110
1046M27.8Very low30.3Very low155 Ų155110.5 Ų110.576%0.76464%0.638SS**  trans36.8151.3137.6-69.8166.5-177.300122.3
1047N31.8Very low30.1Very low135 Ų135111 Ų11172%0.72265%0.645SS**  trans77110.7162.5-54.6-24.3000113.2
1048T32.7Very low29.9Very low117 Ų117111.1 Ų111.172%0.71864%0.644SS**  cis54.4148.834.5980000113.6
1049P34.9Very low29.6Very low110 Ų110112 Ų11271%0.71465%0.649SS**  cis-113.7-139.4-13.736.2-15.2000105.8
1050P33Very low29.5Very low101 Ų101115 Ų11566%0.65666%0.661SS**  cis-131.7175.1-13.228.5-4.6000116.4
1051L27Very low29.4Very low140 Ų140115.4 Ų115.473%0.73366%0.663SS**  trans-1163141.6-63.172.5000119.6
1052T27.3Very low29.4Very low113 Ų113111.4 Ų111.469%0.69365%0.653SS**  trans76.4126.9140.540.10000119.4
1053T27.6Very low29.4Very low123 Ų123116.1 Ų116.176%0.75566%0.662SS**  63.4124.6122.6-550000117.5
1054T28.2Very low29.7Very low108 Ų108117.4 Ų117.466%0.66366%0.664SS**  cis178.4-173.36.4-101.70000105.9
1055T28Very low29.8Very low114 Ų114115 Ų11570%0.69966%0.656SS**  trans63.596.8160.737.50000117.3
1056T28Very low30.1Very low68 Ų68115.8 Ų115.842%0.41765%0.654SS.*  67.8110.59062.90000117.6
1057T29Very low30.4Very low109 Ų109111.7 Ų111.767%0.66964%0.635SS**  trans-155.7135146.551.20000110.2S590S590-T1057 WeakPolarHBondContact O-CA 3.43Å
1058T29.8Very low30.5Very low91 Ų91109.1 Ų109.156%0.55863%0.628SS**  trans-141.3-124.6171.972.60000113.6T589 P591T589-T1058 WeakPolarHBondContact O-CB 3.39Å; T589-T1058 PolarHBondContact O-N 3.28Å; T589-T1058 PolarHBondContact O-OG1 2.98Å; P591-T1058 VanDerWaalsContact CG-O 3.23Å; P591-T1058 WeakPolarHBondContact CG-O 3.45Å
1059L30.4Very low30.5Very low94 Ų94107.6 Ų107.649%0.49262%0.622SS.*  trans55.9139.8179.8-51.3-166.8000117.7P591P591-L1059 VanDerWaalsContact CD-CD1 3.42Å; P591-L1059 HydrophobicContact CG-CB 3.56Å; P591-L1059 HydrophobicContact CG-CD1 3.8Å; P591-L1059 HydrophobicContact CG-CG 3.6Å
1060N30.6Very low30.2Very low118 Ų118109.6 Ų109.663%0.63163%0.626SS**SBendcis-146.1155.51.4-100-26.5000107.2
1061N31.2Very low30.1Very low111 Ų111111 Ų11159%0.59463%0.626SS**  cis-150.9132.3-0.1-115.9-39.5000106.2
1062S29.6Very low30.2Very low79 Ų79110.3 Ų110.355%0.55262%0.623SS**  66131.898.7-55.10000114.3
1063Y30.5Very low30.5Very low194 Ų194113.5 Ų113.576%0.76163%0.63SS**  cis-136.7131.227-69.9-96.6000111.8
1064L31.1Very low30.7Very low145 Ų145112.7 Ų112.776%0.75963%0.63SS**  68.4136.2108.7-53.8-172.1000115.7
1065V32.3Very low30.9Very low106 Ų106115.4 Ų115.464%0.64264%0.64SS**  cis-155.7140.210102.30000113.3
1066N32.5Very low31.1Very low101 Ų101113.4 Ų113.454%0.5464%0.642SS.*  trans43.2148.9150.7-56.4-9.2000122.6
1067N32.3Very low31.2Very low69 Ų69115.5 Ų115.537%0.36966%0.659SS.*  cis-167132.2-17.8-96.2-24.5000106.1N585 Y586N585-N1067 PolarHBondContact OD1-ND2 2.83Å; Y586-N1067 PolarHBondContact N-ND2 2.61Å
1068S34.4Very low31.3Very low81 Ų81119.2 Ų119.257%0.56667%0.673SS**  64133.596.9-40.30000114.3
1069S32.7Very low31.4Very low85 Ų85122.7 Ų122.759%0.59468%0.681SS**  cis-154.2141.938.1-64.50000112.1
1070L29.7Very low31.3Very low152 Ų152126.7 Ų126.780%0.79669%0.694SS**  66.2141.2102.3-52175.5000114.9
1071I29.6Very low31.9Very low130 Ų130127.5 Ų127.567%0.66771%0.706SS**  cis-163.1171.86.5-131.2166.7000112.3
1072N30.4Very low31.9Very low126 Ų126128 Ų12867%0.67471%0.708SS**  trans68.3121.1176.2-63.9-19.1000116.6
1073Q31.9Very low32Very low180 Ų180131.9 Ų131.984%0.84172%0.721SS**  cis80.498.147.6-67.9-177.515.700114.8
1074S31.6Very low31.9Very low106 Ų106130.3 Ų130.374%0.74173%0.726SS**  176.7133.4107.259.80000112.6
1075D33.4Very low31.9Very low164 Ų164130 Ų13088%0.87773%0.725SS**  trans45.9128147.6-51.9-32.5000123.2
1076G31.8Very low31.8Very low72 Ų72131 Ų13174%0.74273%0.726SS**  121.492.8117.100000119.9
1077C30.5Very low31.7Very low113 Ų113136.9 Ų136.976%0.76474%0.741SS**  trans51.196.6139.5-1660000118.7K1079C1077-K1079 PolarHBondContact O-N 3.25Å
1078L30Very low31.7Very low187 Ų187139 Ų13998%0.97975%0.752SS**  trans-64.7121.9159-76178.7000110.2
1079K32.6Very low31.3Very low163 Ų163143.6 Ų143.671%0.70976%0.764SS**  trans-120.6152-176.2-177.5175.6178.2179.60109.2C1077C1077-K1079 PolarHBondContact O-N 3.25Å
1080F29.6Very low31.2Very low179 Ų179143.7 Ų143.779%0.78577%0.771SS**  trans-44.9144.8175.4-64-95.8000113.1I1082F1080-I1082 PolarHBondContact O-N 2.87Å
1081P41.5Very low31.1Very low135 Ų135142.5 Ų142.588%0.87777%0.765SS**  trans-68.582.9166.930.6-34.4000110
1082I32.9Very low31.4Very low122 Ų122144.4 Ų144.463%0.62677%0.771SS**  trans-75.6128.8160.1-67.8176.4000107.3F1080F1080-I1082 PolarHBondContact O-N 2.87Å
1083L29.9Very low31.4Very low159 Ų159143.5 Ų143.583%0.83278%0.775SS**  trans4.5124.4154.1-55.3170.2000116.1
1084N30.1Very low31.4Very low162 Ų162140.5 Ų140.587%0.86676%0.764SS**  trans-122.5113.4151.5-158.812.7000109.7
1085N29.8Very low31.9Very low137 Ų137140.7 Ų140.773%0.73376%0.763SS**  trans-127132.1178.3-153.4-9.2000107.1
1086L31.2Very low32Very low128 Ų128138 Ų13867%0.6775%0.749SS**  trans60.8112.8-176.1-74.967.3000117.7
1087R29.8Very low31.9Very low225 Ų225140.9 Ų140.985%0.84975%0.747SS**  trans-143.480.3133.7-163.9170.2-173.2130.6-0.5109.7
1088N31.6Very low32Very low112 Ų112142 Ų14260%0.59975%0.745SS**  56.6105.696.7-88.2-4.3000115.9
1089Q27.7Very low32.1Very low178 Ų178139 Ų13983%0.83273%0.729SS**  42.9111.6129.5-59.5-177.63.300119.6
1090A29.6Very low31.8Very low88 Ų88137.7 Ų137.773%0.72773%0.728SS**  168.3152.3124.800000109.3
1091N28.4Very low32Very low126 Ų126135.4 Ų135.467%0.67472%0.724SS**  cis-167.3169.2-22.9-98.7-19.5000106
1092H34.5Very low31.4Very low170 Ų170133.8 Ų133.879%0.78771%0.712SS**  trans71.3138.4168.7-45.8-63.8000115.2
1093S31.7Very low31.2Very low108 Ų108134 Ų13476%0.75571%0.714SS**  cis-150.8161.1-0.2-112.50000113.5
1094N30.8Very low31.2Very low116 Ų116134.1 Ų134.162%0.6271%0.711SS**  trans-38149.8164.1-147.824.8000112.9N1096N1094-N1096 VanDerWaalsContact CG-N 3.29Å; N1094-N1096 PolarHBondContact ND2-OD1 3.03Å; N1094-N1096 VanDerWaalsContact ND2-OD1 3.11Å; N1094-N1096 PolarHBondContact OD1-N 3.09Å
1095P42.3Very low31.4Very low111 Ų111130.4 Ų130.472%0.72170%0.697SS**  -140.1118.783.935.5-20.4000116.4
1096N35.9Very low31.4Very low108 Ų108130.5 Ų130.558%0.57870%0.698SS**  trans79.3132.9134.6-62.6-31.1000116.5N1094N1094-N1096 VanDerWaalsContact CG-N 3.29Å; N1094-N1096 PolarHBondContact ND2-OD1 3.03Å; N1094-N1096 VanDerWaalsContact ND2-OD1 3.11Å; N1094-N1096 PolarHBondContact OD1-N 3.09Å
1097N28.9Very low31.5Very low131 Ų131130.2 Ų130.270%0.70170%0.701SS**  59.5137.161.8-66.4-28.9000111
1098L33Very low31.5Very low137 Ų137124.2 Ų124.272%0.71769%0.694SS**  cis-160.5164.431-162.674.6000110.6
1099L32.4Very low31.6Very low123 Ų123123.6 Ų123.664%0.64470%0.698SS**  trans66.1129.7163.6-104.455.3000114.8
1100I26.6Very low31.8Very low136 Ų136118 Ų11870%0.69769%0.688SS**  cis61.2103.840-47.3169.7000111.4
1101D33.2Very low32Very low132 Ų132120.1 Ų120.171%0.70669%0.687SS**  trans-173.5104.4135.5-87.5-18000104.6
1102T29.6Very low32.1Very low100 Ų100123.1 Ų123.161%0.61369%0.689SS**  65.6139.183.961.70000114.4
1103N28Very low32Very low127 Ų127119.7 Ų119.768%0.67968%0.684SS**  trans69.3158.1158.3-67.720.3000115.6
1104E29.9Very low32.2Very low162 Ų162123.1 Ų123.176%0.75769%0.685SS**  cis-160.3140-13.4-11316314800103.6
1105S34.1Very low32.2Very low84 Ų84124.5 Ų124.559%0.58769%0.692SS**  cis152.1173.949.8530000106.5
1106N29.3Very low31.8Very low139 Ų139127.7 Ų127.774%0.74370%0.695SS**  trans54.3138142.5-60.3-19000120.8
1107T34.9Very low31.5Very low121 Ų121129.3 Ų129.374%0.74270%0.703SS**  cis-160.1168.910-3.40000112.9
1108S29.4Very low31.6Very low100 Ų100128.4 Ų128.470%0.69970%0.702SS**  trans-30.4159.8158.754.70000117.4
1109S34.1Very low31.7Very low98 Ų98128.6 Ų128.669%0.68570%0.703SS**  cis-154.5165.528.8-30.20000110.3
1110G31Very low31.8Very low60 Ų60129.8 Ų129.862%0.61971%0.705SS**  71.4131.96500000111.3
1111L34.2Very low32.2Very low134 Ų134128.5 Ų128.570%0.70270%0.7SS**  cis-162.5129.136.8-86165.4000110.6
1112R30.4Very low32.2Very low189 Ų189127.9 Ų127.971%0.71370%0.697SS**  82.2101.193.1-170.3-171.166.1-163.4-1.3117.2
1113S32.3Very low32.4Very low97 Ų97129.8 Ų129.868%0.67870%0.703SS**  trans50.8133.5134.5-37.40000120.8
1114K35.9Very low32.7Very low180 Ų180130.5 Ų130.578%0.78371%0.707SS**  -163.8134.4101.9-96.3143.8-172177.30112.5
1115N30.8Very low32.7Very low145 Ų145127.2 Ų127.278%0.77570%0.701SS**  37.5140.3127.1-48.111.7000117.4
1116K33Very low32.5Very low178 Ų178130.6 Ų130.677%0.77471%0.707SS**  -177.1122.266.5172-170.2173.6-166.40112.9
1117L30.6Very low32.5Very low143 Ų143131.7 Ų131.775%0.74971%0.706SS**  trans61.8152.8169.4-81.472.3000114
1118T31.4Very low32.2Very low112 Ų112131.2 Ų131.269%0.68770%0.703SS**  cis-167.9152.2-13.626.60000104.7
1119L35Very low32.3Very low141 Ų141131.5 Ų131.574%0.73871%0.705SS**  cis-154.1174.49.4-126.7159.1000109.1
1120H35Very low32.3Very low148 Ų148131.9 Ų131.969%0.68571%0.707SS**  trans-32.2159.5170.8-66-46.8000118.4
1121D35.3Very low32.5Very low108 Ų108135.9 Ų135.958%0.57871%0.714SS**  cis-164.2146-12.3-101.5-10.9000106.8
1122N32.3Very low32.7Very low120 Ų120133.4 Ų133.464%0.64271%0.706SS**  48.3100.886.7-51.4-50.2000112.1
1123D34.2Very low32.8Very low139 Ų139131.8 Ų131.874%0.74371%0.71SS**  95.7-177.976.4-88.7-45.2000111.6
1124D33.2Very low32.7Very low143 Ų143132.7 Ų132.777%0.76571%0.708SS**  trans70.9147.2159.1-66.4-31.6000119.1
1125C31.4Very low32.5Very low93 Ų93130.7 Ų130.763%0.62871%0.705SS**  cis-149.9145.6-20.4-122.90000107
1126Q28.6Very low32.6Very low154 Ų154129.2 Ų129.272%0.7270%0.701SS**  36.3152.190.8-57-142.564.200118.5
1127F28.8Very low32.6Very low162 Ų162125.4 Ų125.471%0.71170%0.703SS**  trans66.1100.6161.3-70.1-65.2000120.4
1128T30.2Very low32.8Very low111 Ų111124.4 Ų124.468%0.68170%0.698SS**  39.3114.5120.960.20000120
1129S30.5Very low33Very low107 Ų107126.8 Ų126.875%0.74870%0.702SS**  trans64.1129137.864.80000120.9
1130S34.4Very low33.2Very low105 Ų105126.5 Ų126.573%0.73471%0.706SS**  trans80.584.1149.7-52.60000119
1131L35.9Very low33.1Very low145 Ų145122.8 Ų122.876%0.75971%0.707SS**  38.9148.8111.1-62.1170.9000120.1
1132P38.3Very low32.9Very low81 Ų81125.4 Ų125.453%0.52672%0.72SS.*  cis-144.4-176.4-41.639.1-20.5000113.7
1133L31.7Very low33Very low155 Ų155126.1 Ų126.181%0.81272%0.723SS**  trans71.7161.2166.8-50.5169.8000114.6
1134N30.6Very low32.9Very low117 Ų117125.4 Ų125.463%0.62672%0.719SS**  cis-159.2143.314.7-148.610.9000112.5
1135L32.1Very low33Very low138 Ų138126 Ų12672%0.72372%0.721SS**  trans64.7151.5159.9-52.4159.3000117
1136T32.2Very low33.1Very low114 Ų114128.2 Ų128.270%0.69973%0.727SS**  cis-167147.9-13.9190000110.1
1137A33.9Very low33.4Very low97 Ų97129.1 Ų129.180%0.80273%0.731SS**  trans66.3146.3148.300000118.4
1138N33.2Very low33.8Very low123 Ų123131.8 Ų131.866%0.65874%0.743SS**  cis-146.3160.6-358.4-46.6000112.6
1139E37Very low33.9Very low162 Ų162130.2 Ų130.276%0.75775%0.748SS**  trans39.4129.6141.6-66.1145.9-168.800120.2
1140T37.5Very low34.2Very low135 Ų135131.7 Ų131.783%0.82875%0.753SS**  cis-161.6137.7-2.226.40000106.3
1141G34.2Very low34Very low69 Ų69132.3 Ų132.371%0.71175%0.754SS**  87.2139.38800000112.2
1142L30.3Very low33.6Very low163 Ų163136.2 Ų136.285%0.85376%0.761SS**  cis-154.2156.73.8-86.1172.5000111.3
1143I33.9Very low33.6Very low135 Ų135138.7 Ų138.769%0.69277%0.774SS**  trans-15.2161.3152.450.1169000119.6
1144N33.4Very low33.4Very low125 Ų125138.2 Ų138.267%0.66877%0.773SS**  cis-153.2170.25-107.9-6.8000108.3
1145L35.5Very low33.7Very low155 Ų155137.8 Ų137.881%0.81278%0.779SS**  48.713868.6-62.8171.5000114
1146D32Very low33.6Very low139 Ų139138.7 Ų138.774%0.74378%0.784SS**  cis-145.6165.219.356.327.5000113.8
1147E35.3Very low33.8Very low174 Ų174138.5 Ų138.581%0.81379%0.788SS**  67.980.698-159.9176.4-173.600120.1
1148K37.2Very low33.7Very low218 Ų218144.4 Ų144.495%0.94879%0.789SS**  -144.6137.5126.7-72-163.8179.6158.30110.3
1149G32.6Very low33.6Very low78 Ų78143.5 Ų143.580%0.80479%0.793SS**  trans-122.9116.6-164.700000116.7
1150T36.8Very low33.4Very low138 Ų138141 Ų14185%0.84779%0.792SS**  trans-150.1136.5149.531.50000108.1
1151P31.2Very low33.2Very low117 Ų117141.5 Ų141.576%0.7679%0.79SS**  -141.7143117.735.4-22.7000114.6
1152Y26.1Very low33.3Very low228 Ų228146.4 Ų146.489%0.89480%0.796SS**  trans-67.9133.6144-102-108.8000108.5
1153T38.4Very low33.7Very low132 Ų132143.7 Ų143.781%0.8179%0.788SS**  trans-147128.9145.4470000109
1154D29.2Very low33.8Very low146 Ų146144.5 Ų144.578%0.78179%0.793SS**  trans-98.5171.9174.5-153-38000109.9
1155S35.2Very low33.9Very low107 Ų107145.6 Ų145.675%0.74880%0.799SS**  trans74.3140.6160.5-60.20000120
1156D30Very low33.7Very low157 Ų157146.8 Ų146.884%0.8480%0.8SS**  trans-62.2151.6-176.2-73.9-82.9000116.1
1157S36.4Very low33.8Very low110 Ų110149 Ų14977%0.76981%0.806SS**  trans-152.3105.4147.4-890000115.3
1158R33.6Very low34.1Very low222 Ų222150.6 Ų150.684%0.83881%0.81SS**  trans59.689.5132.7-5517977.3163.55119.1
1159S30.9Very low34.1Very low104 Ų104147.7 Ų147.773%0.72780%0.804SS**  50.7117.312163.80000121.4
1160S32.8Very low34.1Very low108 Ų108151.6 Ų151.676%0.75581%0.806SS**  -167.9136.3127-87.60000114
1161L33.4Very low34Very low147 Ų147152.5 Ų152.577%0.7781%0.806SS**  trans40.6135.4135.3-48.8172.4000119.6
1162M35.7Very low34.3Very low172 Ų172156.8 Ų156.885%0.84781%0.813SS**  cis-160.1-1791.9-116-164.1168.100110.6
1163P37.6Very low34.7Very low105 Ų105154.1 Ų154.168%0.68281%0.813SS**  trans-104.4173.4-150.242-40.5000116.9
1164L36.1Very low34.4Very low153 Ų153155.8 Ų155.880%0.80181%0.812SS**  trans-139.1112.7157-78.6176.9000112.9
1165D35.7Very low34.5Very low148 Ų148158.6 Ų158.679%0.79181%0.813SS**  trans48.498.9137.1-51.7-8.9000120.5
1166H31.8Very low34.6Very low179 Ų179164 Ų16483%0.82982%0.818SS**  trans-110.236.4-176.4-149-74.2000114.7
1167E33.8Very low34.7Very low186 Ų186161.4 Ų161.487%0.86981%0.805SS**  trans-112.824.7-166-145.9-171.8-17600116.2
1168K41.8Very low34.5Very low208 Ų208163 Ų16390%0.90480%0.804SS**SBendtrans-128.610.1-178.7-110.9172.1-174.2166.20117.6
1169L37.7Very low34.7Very low156 Ų156159.9 Ų159.982%0.81780%0.8SS**SBendtrans-116.8-4.4179.4-93.6163.8000115.3
1170N32.1Very low35.1Very low160 Ų160164.1 Ų164.186%0.85681%0.808SS**SBendtrans-100.326.2-172.3-147.621.6000114.6
1171N34.6Very low35.1Very low158 Ų158166.1 Ų166.185%0.84581%0.81SS**SBendtrans-141.938.8-170.6-121.8-25.9000113.5
1172K38.6Very low35.2Very low206 Ų206167.9 Ų167.990%0.89681%0.814SS**SBendtrans-143.825.6175.7-147.2-176178.5-175.70114.7
1173L33.9Very low35Very low172 Ų172166 Ų16690%0.90181%0.807SS**SBendtrans-135.350176.9-110.7162.9000110.4
1174Q32.2Very low34.9Very low167 Ų167168 Ų16878%0.7881%0.81SS**  trans-145.4106.3174.3-80.7-66.5-7.100108.6
1175Y31.9Very low34.6Very low206 Ų206165.5 Ų165.581%0.80880%0.801SS**  trans154.7143.8158.2-102.6-74.6000109.7
1176Y36.2Very low34.4Very low219 Ų219165.6 Ų165.686%0.85980%0.801SS**SBendtrans71.471.5-160-60.3-78.9000111.1
1177N33.2Very low34.6Very low104 Ų104164.1 Ų164.156%0.55680%0.795SS**  73.1114.174-55.616000110.5
1178N31Very low34.5Very low142 Ų142159.8 Ų159.876%0.75979%0.785SS**  cis77.215549-71.74.3000115.1
1179E38.9Very low34.3Very low158 Ų158156.5 Ų156.574%0.73878%0.777SS**  trans73.1120.1-178-61.599-112.700115.6
1180E38.4Very low34.3Very low193 Ų193154.5 Ų154.590%0.90277%0.767SS**  cis-142.8-179.5-12.5-81-166.3112.500110.2
1181N32.9Very low34.2Very low150 Ų150155.6 Ų155.680%0.80276%0.759SS**  -15794.5-127.5-174.3105000116.3
1182E35.4Very low33.9Very low184 Ų184156.7 Ų156.786%0.8676%0.757SS**  trans-153.5146.4172.7-80.4-163.1145.700110.3
1183L32.5Very low33.6Very low133 Ų133153.6 Ų153.670%0.69675%0.748SS**  cis-166.7167.2-18-14662.6000104.7
1184I34.6Very low33.5Very low145 Ų145152.5 Ų152.574%0.74474%0.739SS**  cis-140.1122.617-63.5170.7000105.8
1185T29.7Very low33.8Very low101 Ų101152.7 Ų152.762%0.6274%0.737SS**  73.2136.583.6-35.90000116.2
1186L31.8Very low33.9Very low151 Ų151149.1 Ų149.179%0.79173%0.732SS**  trans73.7149-174.8-49.1-177000113.8
1187H35.6Very low33.9Very low148 Ų148142.3 Ų142.369%0.68573%0.728SS**  cis-133.4-168.3-6.8-149.5-92.8000109.9
1188S30.9Very low34Very low94 Ų94146.3 Ų146.366%0.65774%0.741SS**  trans-145.5168.4164.7-67.80000110.1
1189D39.1Very low34.1Very low140 Ų140145.9 Ų145.975%0.74974%0.738SS**  trans164101.8142.4-78.4-18000106.2
1190D36.5Very low33.7Very low113 Ų113145.8 Ų145.860%0.60474%0.743SS**  54.3139.477.4-83.25.3000115.4
1191R30.2Very low33.4Very low184 Ų184143.9 Ų143.969%0.69474%0.738SS**  cis179.5140.2-33.4-120-167.6-67.4159.88.1106.9
1192F29.2Very low33.3Very low181 Ų181143.7 Ų143.779%0.79474%0.737SS**  trans68.6142.6148.9-81.5-135000119.2
1193I30.8Very low32.9Very low140 Ų140141.2 Ų141.272%0.71873%0.729SS**  cis-124.3-100.9-20.4-36171.3000110.5
1194Q33.2Very low32.7Very low150 Ų150141.1 Ų141.170%0.70173%0.729SS**  cis-160.1106.6-16.1-162.3167.216.600114.8
1195K37.5Very low32.6Very low170 Ų170143 Ų14374%0.73973%0.732SS**  trans61.3166.9162.7-67.4-178.1154.5-81.10117.3
1196D34.4Very low32.6Very low131 Ų131144.8 Ų144.870%0.70174%0.738SS**  cis-162144.4-33.1-94.2-15.8000108.1
1197G35.6Very low32.5Very low76 Ų76144.8 Ų144.878%0.78473%0.734SS**  trans106129.8145.500000120.8
1198K36.5Very low32.4Very low189 Ų189143.6 Ų143.682%0.82274%0.737SS**  trans64.8102.6146.1-65.9-171.4173-1770121.9
1199D31.4Very low32.5Very low132 Ų132145 Ų14571%0.70674%0.737SS**  50.9128.1106-43.7-25.7000121.6
1200N30.9Very low32.1Very low156 Ų156148 Ų14883%0.83474%0.738SS**  trans80.6154157.5-61.1-41.2000119.8
1201L33.3Very low32Very low154 Ų154152.4 Ų152.481%0.80675%0.752SS**  trans80.398.4168.5-51.3-173.4000118.7
1202L30.9Very low32.3Very low146 Ų146149.1 Ų149.176%0.76475%0.752SS**  67108127-66.6163.6000120.2
1203N27.2Very low32.4Very low131 Ų131147.1 Ų147.170%0.70175%0.75SS**  34.4130.2118.1-654.7000120.6
1204N26.9Very low32.5Very low132 Ų132146.5 Ų146.571%0.70675%0.748SS**  trans104.5146.5150.4-55.5-26.3000117.3
1205F33.6Very low32.6Very low183 Ų183145.8 Ų145.880%0.80375%0.748SS**  trans70.1139.5167.4-54.1-71.3000118.3
1206N29.3Very low32.2Very low139 Ų139147.1 Ų147.174%0.74375%0.749SS**  cis-162.6173.6-34.4-128.727.3000111.3
1207E30.6Very low32.2Very low151 Ų151150.6 Ų150.671%0.70675%0.752SS**  trans-18.4147.9148.2-146.362.5-139.800118.4
1208T31.9Very low32.1Very low123 Ų123154.7 Ų154.776%0.75575%0.75SS**  trans66.9109.4156.536.70000121.7
1209D33.6Very low32.1Very low123 Ų123152.4 Ų152.466%0.65874%0.743SS**  trans-163.9145134.3-108.7-24.8000109.1
1210R30.3Very low32.4Very low203 Ų203153.4 Ų153.477%0.76674%0.743SS**  cis-165.4126.3-2.6-161.4174.1-82.5177.1-2.3109.6
1211K35.9Very low32.7Very low206 Ų206153.1 Ų153.190%0.89673%0.734SS**  trans163.4142.4156.9-93.6151.3-172.1174.60111.5
1212V34.6Very low32.9Very low115 Ų115151.1 Ų151.170%0.69772%0.724SS**  cis-165.3147.6-23.9107.30000108.7
1213N32.9Very low33.2Very low140 Ų140149.8 Ų149.875%0.74972%0.722SS**  trans68.2149.8177.6-61.6-22.4000116.1
1214N32.9Very low33.7Very low127 Ų127150.7 Ų150.768%0.67973%0.725SS**  cis-155.8152.57.6-127.5-21.1000113.7
1215L34.8Very low34.3Very low134 Ų134148.7 Ų148.770%0.70273%0.727SS**  trans56.3121.3164.1-84.653.3000119.3
1216R29.6Very low34.7Very low198 Ų198143.3 Ų143.375%0.74772%0.716SS**  76.7112.754.7-178.5-172.2-80.5176.6-6.8112.8
1217R33.6Very low35.3Very low205 Ų205143.2 Ų143.277%0.77472%0.716SS**  -171.7166.267.5-146.8172.5-58.6-140.55.9114.2
1218H34.4Very low36.1Very low161 Ų161141.9 Ų141.975%0.74571%0.714SS**  trans-47.5167.8167.7-49.6-106.7000115.1
1219H35.9Very low36.8Very low142 Ų142142.1 Ų142.166%0.65771%0.71SS**  cis-170.3154.841-130.4-77.9000113.4
1220H37.8Very low37.4Very low153 Ų153142.2 Ų142.271%0.70871%0.711SS**  trans65.8153.8154.6-75.7-32.2000120.4
1221K37Very low38.3Very low149 Ų149138.6 Ų138.665%0.64871%0.706SS**  cis-168.1172.5-24.6-158.3178.8167.5-92.70109.4
1222D37.3Very low38.9Very low113 Ų113134.8 Ų134.860%0.60470%0.696SS**  trans91.1113.2159.8-56.9-47.4000117
1223T37.9Very low39.5Very low118 Ų118135.5 Ų135.572%0.72470%0.696SS**  59.2124.673.1-16.70000111
1224I37.4Very low40.1Very low150 Ų150135.7 Ų135.777%0.76970%0.697SS**  cis-152.2132.546.8-70.2165.6000106.9
1225A38.4Very low40.7Very low90 Ų90136.7 Ų136.774%0.74470%0.702SS**  55.1152.293.800000115.3
1226A42Very low41.2Very low69 Ų69136.4 Ų136.457%0.5770%0.702SS**  cis-163.1-177.611.900000111.1
1227D43.3Very low42Very low138 Ų138132.8 Ų132.874%0.73870%0.697SS**  trans64.7143.3147.3-51.9-9.7000119.1
1228D46.6Very low42.4Very low123 Ų123130 Ų13066%0.65869%0.692SS**  cis-157.9159.5-7.7-87.3-21.3000108.7
1229D46.6Very low42.8Very low127 Ų127128.9 Ų128.968%0.67969%0.691SS**  trans33150.7131-48.2-4000121.5
1230D47.3Very low43.1Very low125 Ų125127.6 Ų127.667%0.66869%0.689SS**  cis-167.1162.2-10.1-103-15.8000109.8
1231D48.4Very low43.2Very low127 Ų127127.3 Ų127.368%0.67969%0.692SS**  trans51.7142.4140.2-63.6-10.5000126.3
1232D47.8Very low43.4Very low127 Ų127123 Ų12368%0.67969%0.69SS**  trans74.2121.3136.7-64.1-2.1000125.3
1233D47.4Very low43.8Very low130 Ų130125 Ų12570%0.69570%0.7SS**  74.8122124.9-64.5-6.4000124.8
1234D45.9Very low44Very low143 Ų143126.4 Ų126.477%0.76570%0.704SS**  72.3168.2129.9-76.3-15.6000123.4
1235D46.3Very low44.1Very low148 Ų148125.9 Ų125.979%0.79170%0.703SS**  trans65.689.9164.6-72.1-12.3000120.6
1236D45.1Very low43.9Very low129 Ų129128 Ų12869%0.6970%0.702SS**  55.6144.5102.1-141.926.4000120.5
1237N45Very low43.4Very low121 Ų121130.7 Ų130.765%0.64772%0.715SS**  trans68.3150.4162.3-61.6-56.1000117.9
1238H42.8Very low42.8Very low146 Ų146129.4 Ų129.468%0.67672%0.716SS**  cis-164.5-177.7-10.6-138.3-68.2000108.4
1239I43.5Very low42.2Very low139 Ų139126.9 Ų126.971%0.71372%0.72SS**  trans78.3111.2150.3-75.3157.3000114.7
1240N42Very low41.3Very low115 Ų115127.7 Ų127.762%0.61572%0.723SS**  68.1143.166.3-63.455000112
1241D39.7Very low40.4Very low147 Ų147129.6 Ų129.679%0.78673%0.727SS**  cis-163.8170.2-7.4-108.5-30.2000109.9
1242G41.7Very low39.4Very low58 Ų58130.7 Ų130.760%0.59873%0.728SS**  trans92.8160.9155.600000118
1243D44Very low38.4Very low154 Ų154131.9 Ų131.982%0.82473%0.73SS**  cis-165.5179.8-10.1-107.4-34.7000110.8
1244D41.8Very low37.3Very low149 Ų149131.9 Ų131.980%0.79773%0.729SS**  trans69.980.4157.7-66.4-25.2000121.5
1245D40.4Very low36.3Very low139 Ų139132.4 Ų132.474%0.74373%0.731SS**  46.3139.8103.9-12817.3000123.8
1246N34.4Very low35.3Very low135 Ų135134.3 Ų134.372%0.72274%0.735SS**  trans64.9150.1160.2-68.8-67.8000119.4
1247C32Very low34.4Very low125 Ų125136.2 Ų136.285%0.84574%0.744SS**  cis-158.3175.832.6-164.30000113.3
1248S30Very low33.4Very low110 Ų110141.2 Ų141.277%0.76975%0.754SS**  trans-110.2146.7-170.8630000116.5
1249G34.5Very low32.7Very low71 Ų71139 Ų13973%0.73275%0.754SS**  trans178.4116.1163.600000111
1250I28.1Very low32.1Very low144 Ų144141.8 Ų141.874%0.73876%0.761SS**  91.398.156.1-67.5173.4000113.7
1251Q27.2Very low31.8Very low165 Ų165141.1 Ų141.177%0.77177%0.765SS**  trans72.6159.5145.9-67.1176.68.100122.3
1252H28.4Very low31.4Very low149 Ų149141.6 Ų141.669%0.6977%0.768SS**  trans63.1114.6-175.5-68.6-79.2000115.3
1253E25.4Very low31.4Very low153 Ų153143.9 Ų143.972%0.71577%0.772SS**  80.5129.363-78.8-166.2145.400114
1254N24.8Very low30.6Very low129 Ų129142.1 Ų142.169%0.6977%0.771SS**  trans67.7104.1160.1-62.1-47.7000119.4
1255I24.4Very low30.1Very low154 Ų154141.3 Ų141.379%0.7977%0.772SS**  trans82.2153.3137.3-56.6164.2000116.9
1256E26.6Very low29.6Very low188 Ų188143 Ų14388%0.87978%0.775SS**  trans86.7155.2165.2-114.3169.1156.800119.5
1257L25.7Very low29.7Very low169 Ų169141.5 Ų141.589%0.88577%0.771SS**  trans-119.3168.6-161.1-64.7160.6000110.7
1258R24.9Very low29.7Very low226 Ų226141.1 Ų141.185%0.85376%0.76SS**  131.3104.3126-163.8177.6-178.688.48.6118
1259C27.6Very low30Very low101 Ų101143.5 Ų143.568%0.68276%0.757SS**  trans61.3139.9136.9-55.60000124.7
1260K31.1Very low29.8Very low197 Ų197150.3 Ų150.386%0.85776%0.76SS**  trans-147.2159.2133.2-78.2114.8179.7-172.40108.2
1261S34.6Very low29.9Very low100 Ų100151.1 Ų151.170%0.69976%0.761SS**  cis-165.8121.4-27.9-90.60000111.4
1262N31.6Very low30.3Very low158 Ų158150.3 Ų150.385%0.84576%0.761SS**  trans68.4157.8149.4-79.66.4000122.2
1263P41.9Very low30.4Very low105 Ų105150.9 Ų150.968%0.68277%0.768SS**  cis-130158.3-8.235.6-18.7000117
1264S26.5Very low31Very low117 Ų117146.6 Ų146.682%0.81876%0.764SS**  trans68.9144154.9-59.40000118.3
1265V32.4Very low31.4Very low132 Ų132146 Ų14680%0.877%0.766SS**  cis-132.2156.77.6177.60000112.1
1266E30.2Very low31.8Very low174 Ų174146 Ų14681%0.81377%0.767SS**  trans-30.8161.9164.4-66.6-161.199.800119.9
1267V36Very low31.9Very low104 Ų104144.1 Ų144.163%0.6376%0.763SS**  cis-166.8148.35.2115.90000115.1
1268N31.5Very low32.2Very low117 Ų117142 Ų14263%0.62676%0.757SS**  trans17.1157.8150-62.9-58.9000123.7
1269K35.8Very low32.2Very low160 Ų160138.4 Ų138.470%0.69675%0.754SS**  cis-166.4153.84.6-118.2157.9-165.2159.40112.7
1270R30.4Very low32.4Very low214 Ų214139.3 Ų139.381%0.80876%0.761SS**  trans14.7156.3133.1-60.9-176.3-179.31601.4120.5
1271E31.3Very low32.2Very low161 Ų161136.3 Ų136.375%0.75275%0.754SS**  cis-169.2178.141-151.3174.2119.200115.5
1272L35.5Very low32.2Very low148 Ų148138.8 Ų138.878%0.77576%0.76SS**  trans100.8153152.7-73164.8000121.4
1273I30Very low32Very low162 Ų162137.6 Ų137.683%0.83175%0.753SS**  trans-149.3146.7-150.6-64.4166.6000111
1274G37Very low31.3Very low62 Ų62139.3 Ų139.364%0.63976%0.757SS**  trans167.8106.4159.600000112.8
1275T33.5Very low31.3Very low117 Ų117144.2 Ų144.272%0.71876%0.757SS**  70.2115.670.765.20000116.3
1276N34.4Very low31.1Very low153 Ų153144.4 Ų144.482%0.81875%0.753SS**  171.2159.9110.7-89.4-62.2000114.4
1277N28.6Very low31.1Very low149 Ų149144.8 Ų144.880%0.79775%0.754SS**  trans-96.4173.2-178.4-60.5-63.4000112.9
1278T30.7Very low30.5Very low124 Ų124149 Ų14976%0.76177%0.767SS**  168.9110.9115.8-68.90000115
1279I26.2Very low30.4Very low152 Ų152148.6 Ų148.678%0.77977%0.769SS**  trans26.7123133.5-49.2167.6000119.8
1280S30.4Very low30.1Very low119 Ų119149 Ų14983%0.83278%0.779SS**  -171.7142122.8-87.70000117.2
1281N28.5Very low29.9Very low135 Ų135148.3 Ų148.372%0.72278%0.782SS**  trans-42.4142.2168.1-83.3-41.4000116
1282N33.6Very low29.9Very low152 Ų152148.2 Ų148.281%0.81378%0.779SS**  -170.2153.687.8-102.1-59.2000115.1
1283N27.1Very low29.5Very low132 Ų132149.3 Ų149.371%0.70678%0.778SS**  trans-75.2134.9174.2-59.6-77.8000111.1
1284N27.7Very low29.8Very low142 Ų142148 Ų14876%0.75977%0.768SS**  174.8152.1110.7-100.6-74.7000115
1285R26.1Very low29.8Very low219 Ų219150.5 Ų150.583%0.82677%0.767SS**  trans76.1128.2146.4-86.5-176.4176.7-169.7-1.7122.4
1286I28.3Very low30.1Very low137 Ų137150.6 Ų150.670%0.70376%0.759SS**  trans87.286.4146.1-58.9159.5000117
1287Q29.7Very low30.5Very low182 Ų182148.3 Ų148.385%0.8575%0.747SS**  52.378.2129.5-61.6178.5-0.100117.9
1288Q25.2Very low31.4Very low193 Ų193143.3 Ų143.390%0.90272%0.723SS**  trans-88.8117.3144.5-68.7179.5-5.200109.6
1289T29.5Very low32.3Very low108 Ų108141 Ų14166%0.66371%0.707SS**  trans-144.7104.4152.850.20000108.4F1291T1289-F1291 PolarHBondContact O-N 2.85Å
1290N29.3Very low33.8Very low169 Ų169138.7 Ų138.790%0.90470%0.695SS**  trans-68.2111.2172.5-76.7-31.6000109.2K1292N1290-K1292 PolarHBondContact O-N 2.85Å
1291F25.9Very low34.9Very low199 Ų199139.4 Ų139.487%0.87368%0.683SS**  trans-73.495.2173.1-86.2-92.9000110T1289T1289-F1291 PolarHBondContact O-N 2.85Å
1292K31.6Very low36.9Very low159 Ų159136.6 Ų136.669%0.69167%0.671SS**  trans-108136.3171.7-159.7176.6177.3-133.60109.5N1290 E1294N1290-K1292 PolarHBondContact O-N 2.85Å; K1292-E1294 WeakPolarHBondContact CD-OE1 3.25Å; K1292-E1294 VanDerWaalsContact CE-OE1 3.29Å; K1292-E1294 WeakPolarHBondContact CE-OE1 3.3Å; K1292-E1294 IonicContact NZ-OE1 2.66Å; K1292-E1294 PolarHBondContact NZ-OE1 2.89Å; K1292-E1294 PolarHBondContact O-N 3.3Å
1293F26.9Very low38Very low170 Ų170131.3 Ų131.375%0.74665%0.648SS**SBendtrans-79.677-169.9-113.8-103.4000111.9E1296F1293-E1296 HydrophobicContact CD1-CG 4.11Å; F1293-E1296 HydrophobicContact CE1-CG 4.07Å
1294E35.5Very low39.6Very low136 Ų136127.9 Ų127.964%0.63664%0.638SS**  trans-123.317.8-178.1-69.1174-174.800112.6K1292K1292-E1294 WeakPolarHBondContact CD-OE1 3.25Å; K1292-E1294 VanDerWaalsContact CE-OE1 3.29Å; K1292-E1294 WeakPolarHBondContact CE-OE1 3.3Å; K1292-E1294 IonicContact NZ-OE1 2.66Å; K1292-E1294 PolarHBondContact NZ-OE1 2.89Å; K1292-E1294 PolarHBondContact O-N 3.3Å
1295N37.5Very low41.3Very low114 Ų114127.3 Ų127.361%0.6163%0.631SS**SBendtrans-123.712.9-172.6-134.4-4.6000114S1298 N1299N1295-S1298 PolarHBondContact O-OG 3.05Å; N1295-S1298 PolarHBondContact OD1-OG 3.19Å; N1295-N1299 PolarHBondContact O-ND2 3.26Å
1296E39.9Very low43.2Very low119 Ų119119.9 Ų119.956%0.55661%0.61SS**Hα-helixtrans-84.8-39.6171.1-67.5-16113500111.6F1293 S1298 N1299 I1300F1293-E1296 HydrophobicContact CD1-CG 4.11Å; F1293-E1296 HydrophobicContact CE1-CG 4.07Å; E1296-S1298 VanDerWaalsContact C-N 3.32Å; E1296-S1298 PolarHBondContact O-N 3.08Å; E1296-N1299 CarbonylContact O-C 3.57Å; E1296-N1299 PolarHBondContact O-N 2.98Å; E1296-N1299 VanDerWaalsContact O-N 3.13Å; E1296-I1300 HydrophobicContact CB-CD1 4.45Å; E1296-I1300 WeakPolarHBondContact O-CB 3.32Å; E1296-I1300 VanDerWaalsContact O-CG1 3.29Å; E1296-I1300 WeakPolarHBondContact O-CG1 3.4Å; E1296-I1300 PolarHBondContact O-N 3.45Å
1297D43.4Very low44.9Very low105 Ų105114 Ų11456%0.56158%0.582SS**Hα-helixtrans-60.3-38.1177-92.5-39.2000113.6K1301D1297-K1301 VanDerWaalsContact O-CB 3.28Å; D1297-K1301 WeakPolarHBondContact O-CB 3.33Å; D1297-K1301 VanDerWaalsContact O-CD 3.31Å; D1297-K1301 WeakPolarHBondContact O-CD 3.37Å; D1297-K1301 WeakPolarHBondContact O-CG 3.3Å; D1297-K1301 PolarHBondContact O-N 2.88Å
1298S47.1Very low46.5Very low43 Ų43109.4 Ų109.430%0.30157%0.569SS.*Hα-helixtrans-63.7-43.8174.652.40000111.1N1295 E1296 T1302N1295-S1298 PolarHBondContact O-OG 3.05Å; N1295-S1298 PolarHBondContact OD1-OG 3.19Å; E1296-S1298 VanDerWaalsContact C-N 3.32Å; E1296-S1298 PolarHBondContact O-N 3.08Å; S1298-T1302 VanDerWaalsContact O-CB 3.29Å; S1298-T1302 WeakPolarHBondContact O-CB 3.21Å; S1298-T1302 PolarHBondContact O-N 2.89Å; S1298-T1302 PolarHBondContact O-OG1 3.36Å
1299N50Low48.6Very low76 Ų76106.1 Ų106.141%0.40655%0.553SS.*Hα-helixtrans-69.5-38.5176.9-79.5-52.4000112.6N1295 E1296 T1302 A1303N1295-N1299 PolarHBondContact O-ND2 3.26Å; E1296-N1299 CarbonylContact O-C 3.57Å; E1296-N1299 PolarHBondContact O-N 2.98Å; E1296-N1299 VanDerWaalsContact O-N 3.13Å; N1299-T1302 PolarHBondContact O-N 3.42Å; N1299-A1303 VanDerWaalsContact O-CB 3.24Å; N1299-A1303 WeakPolarHBondContact O-CB 3.24Å; N1299-A1303 PolarHBondContact O-N 2.88Å
1300I56.4Low50.6Low103 Ų103105.5 Ų105.553%0.52854%0.543SS..Hα-helixtrans-67.5-44.4176.1-68.9164.6000110.5E1296 T1302 A1303 A1304E1296-I1300 HydrophobicContact CB-CD1 4.45Å; E1296-I1300 WeakPolarHBondContact O-CB 3.32Å; E1296-I1300 VanDerWaalsContact O-CG1 3.29Å; E1296-I1300 WeakPolarHBondContact O-CG1 3.4Å; E1296-I1300 PolarHBondContact O-N 3.45Å; I1300-T1302 VanDerWaalsContact C-N 3.35Å; I1300-T1302 PolarHBondContact O-N 3.45Å; I1300-A1303 PolarHBondContact O-N 3.5Å; I1300-A1304 WeakPolarHBondContact O-CB 3.29Å; I1300-A1304 PolarHBondContact O-N 2.85Å
1301K53.4Low52.5Low135 Ų135100.5 Ų100.559%0.58752%0.516SS*.Hα-helixtrans-61.8-42.6173.8-71.9162.7-170.1162.20111.3D1297 A1304 Q1305D1297-K1301 VanDerWaalsContact O-CB 3.28Å; D1297-K1301 WeakPolarHBondContact O-CB 3.33Å; D1297-K1301 VanDerWaalsContact O-CD 3.31Å; D1297-K1301 WeakPolarHBondContact O-CD 3.37Å; D1297-K1301 WeakPolarHBondContact O-CG 3.3Å; D1297-K1301 PolarHBondContact O-N 2.88Å; K1301-A1304 PolarHBondContact O-N 2.92Å; K1301-Q1305 WeakPolarHBondContact O-CB 3.34Å; K1301-Q1305 PolarHBondContact O-N 3.39Å
1302T70.1Confident54.5Low76 Ų76100.2 Ų100.247%0.46651%0.509SS..Hα-helixtrans-64.3-44.2175.7-57.70000111.6S1298 N1299 I1300 Q1305 V1306S1298-T1302 VanDerWaalsContact O-CB 3.29Å; S1298-T1302 WeakPolarHBondContact O-CB 3.21Å; S1298-T1302 PolarHBondContact O-N 2.89Å; S1298-T1302 PolarHBondContact O-OG1 3.36Å; N1299-T1302 PolarHBondContact O-N 3.42Å; I1300-T1302 VanDerWaalsContact C-N 3.35Å; I1300-T1302 PolarHBondContact O-N 3.45Å; T1302-Q1305 PolarHBondContact O-N 2.84Å; T1302-V1306 HydrophobicContact CG2-CG2 4.46Å; T1302-V1306 WeakPolarHBondContact O-CB 3.29Å; T1302-V1306 VanDerWaalsContact O-CG2 3.32Å; T1302-V1306 WeakPolarHBondContact O-CG2 3.48Å; T1302-V1306 PolarHBondContact O-N 3.45Å
1303A58.4Low56Low41 Ų4195.3 Ų95.334%0.33950%0.498SS..Hα-helixtrans-64-41.2177.100000111.9N1299 I1300 V1306 A1307N1299-A1303 VanDerWaalsContact O-CB 3.24Å; N1299-A1303 WeakPolarHBondContact O-CB 3.24Å; N1299-A1303 PolarHBondContact O-N 2.88Å; I1300-A1303 PolarHBondContact O-N 3.5Å; A1303-V1306 PolarHBondContact O-N 3.41Å; A1303-A1307 WeakPolarHBondContact O-CB 3.45Å; A1303-A1307 PolarHBondContact O-N 2.97Å
1304A59.1Low57.6Low60 Ų6088.3 Ų88.350%0.49647%0.472SS..Hα-helixtrans-65.3-39.8174.300000112.2I1300 K1301 A1307 C1308I1300-A1304 WeakPolarHBondContact O-CB 3.29Å; I1300-A1304 PolarHBondContact O-N 2.85Å; K1301-A1304 PolarHBondContact O-N 2.92Å; A1304-A1307 PolarHBondContact O-N 2.81Å; A1304-C1308 VanDerWaalsContact O-CB 3.29Å; A1304-C1308 WeakPolarHBondContact O-CB 3.45Å; A1304-C1308 PolarHBondContact O-N 2.86Å
1305Q64Low58.8Low130 Ų13083.5 Ų83.561%0.60746%0.455SS*.Hα-helixtrans-64.7-45174.7-177.9175.5-1200111.6K1301 T1302 C1308 Q1309K1301-Q1305 WeakPolarHBondContact O-CB 3.34Å; K1301-Q1305 PolarHBondContact O-N 3.39Å; T1302-Q1305 PolarHBondContact O-N 2.84Å; Q1305-C1308 PolarHBondContact O-N 3.31Å; Q1305-Q1309 VanDerWaalsContact O-CB 3.31Å; Q1305-Q1309 WeakPolarHBondContact O-CB 3.29Å; Q1305-Q1309 PolarHBondContact O-N 2.88Å
1306V67.1Low60.1Low63 Ų6380.5 Ų80.538%0.38245%0.447SS..Hα-helixtrans-64.5-42174.91700000111.1T1302 A1303 Q1309 Q1310T1302-V1306 HydrophobicContact CG2-CG2 4.46Å; T1302-V1306 WeakPolarHBondContact O-CB 3.29Å; T1302-V1306 VanDerWaalsContact O-CG2 3.32Å; T1302-V1306 WeakPolarHBondContact O-CG2 3.48Å; T1302-V1306 PolarHBondContact O-N 3.45Å; A1303-V1306 PolarHBondContact O-N 3.41Å; V1306-Q1309 PolarHBondContact O-N 2.81Å; V1306-Q1310 HydrophobicContact CG1-CG 4.35Å; V1306-Q1310 WeakPolarHBondContact O-CB 3.49Å; V1306-Q1310 VanDerWaalsContact O-CG 3.3Å; V1306-Q1310 WeakPolarHBondContact O-CG 3.46Å; V1306-Q1310 PolarHBondContact O-N 3.41Å
1307A63.9Low61.1Low14 Ų1476.2 Ų76.212%0.11643%0.431CS..Hα-helixtrans-61.7-44.3175.500000112A1303 A1304 Q1310 L1311 F1481 I1483A1303-A1307 WeakPolarHBondContact O-CB 3.45Å; A1303-A1307 PolarHBondContact O-N 2.97Å; A1304-A1307 PolarHBondContact O-N 2.81Å; A1307-Q1310 PolarHBondContact O-N 2.89Å; A1307-L1311 WeakPolarHBondContact O-CB 3.24Å; A1307-L1311 PolarHBondContact O-N 3.45Å; A1307-F1481 HydrophobicContact CB-CE1 4.23Å; A1307-F1481 HydrophobicContact CB-CZ 4.17Å; A1307-I1483 HydrophobicContact CB-CD1 3.61Å
1308C62.7Low61.7Low85 Ų8573.7 Ų73.757%0.57443%0.425SS*.Hα-helixtrans-63.8-42.7175.7-170.10000111.5A1304 Q1305 L1311 W1312A1304-C1308 VanDerWaalsContact O-CB 3.29Å; A1304-C1308 WeakPolarHBondContact O-CB 3.45Å; A1304-C1308 PolarHBondContact O-N 2.86Å; Q1305-C1308 PolarHBondContact O-N 3.31Å; C1308-L1311 PolarHBondContact O-N 2.81Å; C1308-W1312 WeakPolarHBondContact O-CB 3.48Å; C1308-W1312 PolarHBondContact O-N 3.33Å
1309Q69.6Low62.1Low124 Ų12474.5 Ų74.558%0.57943%0.434SS*.Hα-helixtrans-69-36.2178.1-16916676.500112.5Q1305 V1306 A1313Q1305-Q1309 VanDerWaalsContact O-CB 3.31Å; Q1305-Q1309 WeakPolarHBondContact O-CB 3.29Å; Q1305-Q1309 PolarHBondContact O-N 2.88Å; V1306-Q1309 PolarHBondContact O-N 2.81Å; Q1309-A1313 VanDerWaalsContact O-CB 3.29Å; Q1309-A1313 WeakPolarHBondContact O-CB 3.26Å; Q1309-A1313 PolarHBondContact O-N 3.44Å
1310Q70.1Confident62.7Low94 Ų9474.1 Ų74.144%0.43944%0.441SS..Hα-helixtrans-65.8-42.2170.2-75.7-179.914.900111.9V1306 A1307 A1313 A1314V1306-Q1310 HydrophobicContact CG1-CG 4.35Å; V1306-Q1310 WeakPolarHBondContact O-CB 3.49Å; V1306-Q1310 VanDerWaalsContact O-CG 3.3Å; V1306-Q1310 WeakPolarHBondContact O-CG 3.46Å; V1306-Q1310 PolarHBondContact O-N 3.41Å; A1307-Q1310 PolarHBondContact O-N 2.89Å; Q1310-A1313 PolarHBondContact O-N 3.43Å; Q1310-A1314 VanDerWaalsContact O-CB 3.3Å; Q1310-A1314 WeakPolarHBondContact O-CB 3.34Å; Q1310-A1314 PolarHBondContact O-N 2.87Å
1311L69.1Low61.8Low64 Ų6472.1 Ų72.134%0.33545%0.447SS..Hα-helixtrans-64.5-42177.2-170.571.4000111.2A1307 C1308 A1314 A1315 V1500A1307-L1311 WeakPolarHBondContact O-CB 3.24Å; A1307-L1311 PolarHBondContact O-N 3.45Å; C1308-L1311 PolarHBondContact O-N 2.81Å; L1311-A1314 PolarHBondContact O-N 3.43Å; L1311-A1315 WeakPolarHBondContact O-CB 3.36Å; L1311-A1315 PolarHBondContact O-N 3.45Å; L1311-V1500 HydrophobicContact CD1-CG1 4.35Å; L1311-V1500 HydrophobicContact CD1-CG2 3.96Å
1312W68.1Low61.1Low193 Ų19371.3 Ų71.373%0.73145%0.448SS*.Hα-helixtrans-64.7-43.7174.7-174.563.7000112C1308 A1314 A1315 A1316C1308-W1312 WeakPolarHBondContact O-CB 3.48Å; C1308-W1312 PolarHBondContact O-N 3.33Å; W1312-A1314 PolarHBondContact O-N 2.92Å; W1312-A1315 PolarHBondContact O-N 3.31Å; W1312-A1316 VanDerWaalsContact O-CB 3.3Å; W1312-A1316 WeakPolarHBondContact O-CB 3.04Å; W1312-A1316 PolarHBondContact O-N 2.81Å
1313A64.5Low59.6Low56 Ų5676.5 Ų76.546%0.46347%0.467SS..Hα-helixtrans-63.6-39.5174.800000112.6Q1309 Q1310 A1316 A1317Q1309-A1313 VanDerWaalsContact O-CB 3.29Å; Q1309-A1313 WeakPolarHBondContact O-CB 3.26Å; Q1309-A1313 PolarHBondContact O-N 3.44Å; Q1310-A1313 PolarHBondContact O-N 3.43Å; A1313-A1316 PolarHBondContact O-N 3.44Å; A1313-A1317 WeakPolarHBondContact O-CB 3.04Å; A1313-A1317 PolarHBondContact O-N 2.97Å
1314A60.4Low58.6Low23 Ų2378.3 Ų78.319%0.1948%0.476CS..Hα-helixtrans-67.3-41.5175.300000112.1Q1310 L1311 W1312 A1317 A1318 T1485Q1310-A1314 VanDerWaalsContact O-CB 3.3Å; Q1310-A1314 WeakPolarHBondContact O-CB 3.34Å; Q1310-A1314 PolarHBondContact O-N 2.87Å; L1311-A1314 PolarHBondContact O-N 3.43Å; W1312-A1314 PolarHBondContact O-N 2.92Å; A1314-A1317 PolarHBondContact O-N 2.8Å; A1314-A1318 WeakPolarHBondContact O-CB 3.27Å; A1314-A1318 PolarHBondContact O-N 3.34Å; A1314-T1485 HydrophobicContact CB-CG2 4.05Å
1315A60.9Low57.3Low36 Ų3677.9 Ų77.930%0.29848%0.477SS..Hα-helixtrans-64.6-40.717400000111.8L1311 W1312 A1318 A1319L1311-A1315 WeakPolarHBondContact O-CB 3.36Å; L1311-A1315 PolarHBondContact O-N 3.45Å; W1312-A1315 PolarHBondContact O-N 3.31Å; A1315-A1318 PolarHBondContact O-N 3.21Å; A1315-A1319 VanDerWaalsContact O-CB 3.25Å; A1315-A1319 WeakPolarHBondContact O-CB 3.1Å; A1315-A1319 PolarHBondContact O-N 3.5Å
1316A63.5Low55.6Low51 Ų5175.1 Ų75.142%0.42148%0.484SS..Hα-helixtrans-65-41.7174.900000112.1W1312 A1313 A1319 A1320W1312-A1316 VanDerWaalsContact O-CB 3.3Å; W1312-A1316 WeakPolarHBondContact O-CB 3.04Å; W1312-A1316 PolarHBondContact O-N 2.81Å; A1313-A1316 PolarHBondContact O-N 3.44Å; A1316-A1319 PolarHBondContact O-N 2.83Å; A1316-A1320 VanDerWaalsContact O-CB 3.31Å; A1316-A1320 WeakPolarHBondContact O-CB 3.1Å; A1316-A1320 PolarHBondContact O-N 3.48Å
1317A61.1Low53.9Low29 Ų2979.4 Ų79.424%0.2450%0.503CS..Hα-helixtrans-63-46.1174.500000111.9A1313 A1314 A1319 A1320 G1321 L1322A1313-A1317 WeakPolarHBondContact O-CB 3.04Å; A1313-A1317 PolarHBondContact O-N 2.97Å; A1314-A1317 PolarHBondContact O-N 2.8Å; A1317-A1319 VanDerWaalsContact C-N 3.34Å; A1317-A1319 PolarHBondContact O-N 3.36Å; A1317-A1320 PolarHBondContact O-N 3.48Å; A1317-G1321 PolarHBondContact O-N 2.84Å; A1317-L1322 PolarHBondContact O-N 3.48Å
1318A57.2Low52.1Low52 Ų5288.2 Ų88.243%0.4354%0.539SS..Hα-helixtrans-60.1-42.6175.300000112A1314 A1315 G1321 I1498A1314-A1318 WeakPolarHBondContact O-CB 3.27Å; A1314-A1318 PolarHBondContact O-N 3.34Å; A1315-A1318 PolarHBondContact O-N 3.21Å; A1318-G1321 PolarHBondContact O-N 2.95Å; A1318-G1321 VanDerWaalsContact O-N 3.09Å; A1318-I1498 HydrophobicContact CB-CD1 4.15Å
1319A54.1Low50.6Low59 Ų5989.1 Ų89.149%0.48854%0.542SS..Hα-helixtrans-71-28.1177.700000114.1A1315 A1316 A1317 G1321 L1517A1315-A1319 VanDerWaalsContact O-CB 3.25Å; A1315-A1319 WeakPolarHBondContact O-CB 3.1Å; A1315-A1319 PolarHBondContact O-N 3.5Å; A1316-A1319 PolarHBondContact O-N 2.83Å; A1317-A1319 VanDerWaalsContact C-N 3.34Å; A1317-A1319 PolarHBondContact O-N 3.36Å; A1319-G1321 PolarHBondContact O-N 2.87Å; A1319-L1517 HydrophobicContact CB-CD2 3.37Å
1320A63Low48.8Very low68 Ų6889 Ų8956%0.56255%0.551SS**THydrogen-bonded Turntrans-73.9-3169.700000113.1A1316 A1317 L1322A1316-A1320 VanDerWaalsContact O-CB 3.31Å; A1316-A1320 WeakPolarHBondContact O-CB 3.1Å; A1316-A1320 PolarHBondContact O-N 3.48Å; A1317-A1320 PolarHBondContact O-N 3.48Å; A1320-L1322 HydrophobicContact CB-CD1 3.97Å; A1320-L1322 HydrophobicContact CB-CG 3.95Å; A1320-L1322 PolarHBondContact O-N 3.16Å
1321G37.8Very low46.9Very low62 Ų6292.9 Ų92.964%0.63957%0.57SS**THydrogen-bonded Turntrans69.210.7-173.400000113.6A1317 A1318 A1319 H1323A1317-G1321 PolarHBondContact O-N 2.84Å; A1318-G1321 PolarHBondContact O-N 2.95Å; A1318-G1321 VanDerWaalsContact O-N 3.09Å; A1319-G1321 PolarHBondContact O-N 2.87Å; G1321-H1323 PolarHBondContact O-N 2.87Å
1322L39.2Very low45.1Very low117 Ų11796.4 Ų96.461%0.61359%0.594SS**  trans-76.4108.7-179.4-69.2173000109.2A1317 A1320 C1324A1317-L1322 PolarHBondContact O-N 3.48Å; A1320-L1322 HydrophobicContact CB-CD1 3.97Å; A1320-L1322 HydrophobicContact CB-CG 3.95Å; A1320-L1322 PolarHBondContact O-N 3.16Å; L1322-C1324 PolarHBondContact O-N 3.44Å
1323H37.9Very low43.4Very low186 Ų18694.5 Ų94.586%0.86160%0.598SS**  trans-58.3105.1171.6-113.277.6000109.8G1321 G1325G1321-H1323 PolarHBondContact O-N 2.87Å; H1323-G1325 PolarHBondContact O-N 3.35Å
1324C37.2Very low41.8Very low79 Ų7997.7 Ų97.753%0.53461%0.607SS.*  trans-71.760162.347.40000110.1L1322 G1326L1322-C1324 PolarHBondContact O-N 3.44Å; C1324-G1326 PolarHBondContact O-N 3.08Å
1325G31.7Very low40.2Very low51 Ų51106.5 Ų106.553%0.52664%0.637SS.*  trans-55.5128.2176.200000110.2H1323 I1327H1323-G1325 PolarHBondContact O-N 3.35Å; G1325-I1327 PolarHBondContact O-N 3.3Å
1326G29.5Very low38.7Very low72 Ų72108.6 Ų108.674%0.74266%0.662SS**  trans-56.2111.4-16600000113.3C1324 K1328C1324-G1326 PolarHBondContact O-N 3.08Å; G1326-K1328 PolarHBondContact O-N 2.74Å
1327I29.6Very low37Very low152 Ų152110.2 Ų110.278%0.77967%0.667SS**  trans-69.696.6173.1-57.2179.1000107.8G1325 T1329G1325-I1327 PolarHBondContact O-N 3.3Å; I1327-T1329 VanDerWaalsContact C-N 3.28Å; I1327-T1329 HydrophobicContact CG2-CG2 4.18Å; I1327-T1329 PolarHBondContact O-N 2.93Å
1328K27.6Very low35.6Very low200 Ų200116.1 Ų116.187%0.8769%0.694SS**  trans-68.386.2167.4-69.1-175.3177.5-176.40109.2G1326G1326-K1328 PolarHBondContact O-N 2.74Å
1329T29.9Very low34.2Very low104 Ų104119.4 Ų119.464%0.63871%0.709SS**PPolyproline II helixtrans-63.4125.6164.150.40000108.6I1327I1327-T1329 VanDerWaalsContact C-N 3.28Å; I1327-T1329 HydrophobicContact CG2-CG2 4.18Å; I1327-T1329 PolarHBondContact O-N 2.93Å
1330P31.5Very low33Very low120 Ų120119.9 Ų119.978%0.77972%0.719SS**PPolyproline II helixtrans-68.1138.9-172.7-20.932.8000113.2T1332P1330-T1332 PolarHBondContact O-N 3.08Å
1331E30.7Very low31.4Very low176 Ų176123.6 Ų123.682%0.82273%0.729SS**PPolyproline II helixtrans-70.2120.7165-66-176.8155.500110.2N1333E1331-N1333 VanDerWaalsContact C-N 3.34Å; E1331-N1333 PolarHBondContact O-N 3.12Å
1332T31.1Very low31.1Very low138 Ų138126.9 Ų126.985%0.84773%0.731SS**  trans-80.176.4177.653.90000111.6P1330P1330-T1332 PolarHBondContact O-N 3.08Å
1333N32.6Very low30.6Very low153 Ų153128.2 Ų128.282%0.81874%0.739SS**  trans-66.6138.7162.6-90.6-54.8000110E1331E1331-N1333 VanDerWaalsContact C-N 3.34Å; E1331-N1333 PolarHBondContact O-N 3.12Å
1334N30.7Very low30.1Very low123 Ų123122.5 Ų122.566%0.65873%0.731SS**  trans-114.2145.7-160.4-155-5.6000112.8
1335Y26.6Very low29.8Very low208 Ų208124.5 Ų124.582%0.81674%0.743SS**  trans59.2119.8177-62.7-72.4000118.9
1336G31.1Very low29.4Very low80 Ų80129 Ų12983%0.82575%0.754SS**  trans-167.578.817100000112
1337V27.8Very low29.3Very low85 Ų85134.3 Ų134.352%0.51576%0.757SS.*  trans-82.1121.3-178.1175.20000111.5
1338L30.8Very low29Very low154 Ų154132.3 Ų132.381%0.80676%0.756SS**  trans-154.3107.3139.9-80.5-169000106.8
1339T28.6Very low29Very low121 Ų121130.5 Ų130.574%0.74275%0.751SS**  55.7132.394.564.90000114.7
1340G29.1Very low28.7Very low68 Ų68132.5 Ų132.570%0.70175%0.753SS**  trans132.874.4162.200000116.9
1341N27.5Very low28.5Very low147 Ų147131.9 Ų131.979%0.78675%0.747SS**  62.8132.3125.6-86.814.4000122.9
1342L31.7Very low28.4Very low130 Ų130130.7 Ų130.768%0.68174%0.741SS**  trans79.6102139.9-61163.5000119.1
1343N30.4Very low28.6Very low145 Ų145129.1 Ų129.178%0.77574%0.736SS**  73.1126.4125.2-56.1-6.5000119.6
1344G26.5Very low28.4Very low67 Ų67126 Ų12669%0.69173%0.726SS**  trans-65.5166.8147.300000111.3
1345P30.5Very low28.5Very low120 Ų120126.7 Ų126.778%0.77973%0.73SS**  -125.3169.775.242.9-35.1000111.5
1346L23.3Very low28.7Very low145 Ų145123.3 Ų123.376%0.75973%0.726SS**  cis65.7133.343.5-121.3171.7000112.1
1347K27Very low28.4Very low184 Ų184126 Ų12680%0.872%0.72SS**  trans72.4126.8-179.6-56.8172.2-176.7176.80113.4
1348S24.7Very low28.4Very low110 Ų110126.9 Ų126.977%0.76973%0.726SS**  cis95.7159.742.7-66.20000112.6
1349Q26.2Very low28.1Very low162 Ų162125.1 Ų125.176%0.75772%0.721SS**  trans79.1106.1-179.2-52.2-163.8-88.600112.8
1350Q25.3Very low28Very low146 Ų146124.8 Ų124.868%0.68272%0.719SS**  87.7150.589.6-79.8170.6-102.300110.4
1351V27.2Very low27.8Very low107 Ų107126.8 Ų126.865%0.64872%0.718SS**  cis-147.6129.345.81630000111.2
1352E28.7Very low27.7Very low152 Ų152126.1 Ų126.171%0.7171%0.714SS**  trans48.9157.5148.7-63.7152.7-153.100120.6
1353S33.7Very low27.5Very low105 Ų105126.1 Ų126.173%0.73472%0.715SS**  cis-124.2129.5-1.7-47.80000109
1354S29.6Very low27.4Very low88 Ų88122.8 Ų122.862%0.61570%0.703SS**  58.9100.189.9-42.10000114.4
1355N31.8Very low27.4Very low137 Ų137125.4 Ų125.473%0.73370%0.701SS**  166.4137.3101-82.6-39.4000112
1356N30.2Very low27.3Very low137 Ų137125.7 Ų125.773%0.73370%0.696SS**  trans65.9143.6140.8-66.7-5.7000118.9
1357I26.3Very low27.5Very low137 Ų137124.6 Ų124.670%0.70369%0.691SS**  cis-163.3162.9-12.5-136.9164.2000108.7
1358T26.4Very low27.5Very low103 Ų103123.5 Ų123.563%0.63269%0.687SS**  trans46.3100.5149.3-59.10000119.3
1359T25.6Very low27.7Very low117 Ų117125.8 Ų125.872%0.71869%0.685SS**  87.9165.395-53.10000113.9
1360T26.5Very low27.8Very low114 Ų114124.1 Ų124.170%0.69969%0.686SS**  trans67.8126.5166.135.70000116.4
1361T25.6Very low27.8Very low110 Ų110125 Ų12568%0.67569%0.69SS**  cis79.5125.748.4-59.10000112.5
1362N25.5Very low27.9Very low132 Ų132127.8 Ų127.871%0.70670%0.696SS**  trans68.9143.4167.9-69-11.7000115.4
1363N25.9Very low28Very low130 Ų130127.7 Ų127.770%0.69570%0.7SS**  63.2145.251.3173.632.6000111
1364S28.2Very low27.9Very low75 Ų75127.2 Ų127.252%0.52470%0.696SS.*  trans77.6129.6159.1-77.50000118.3
1365N27.7Very low28Very low122 Ų122128.7 Ų128.765%0.65271%0.705SS**  trans88.390.9130.5-65.4-8000119.9
1366N27.8Very low28.3Very low126 Ų126127.1 Ų127.167%0.67471%0.705SS**  96.2156.1102.7-71.9-20.9000118.5
1367N27.7Very low28.1Very low122 Ų122129.5 Ų129.565%0.65271%0.709SS**  trans71108.7149.4-76-40.3000117.6
1368K27.4Very low28.4Very low162 Ų162127.6 Ų127.670%0.70471%0.708SS**  79.8120.8119.2-71.2179.9-177.8-176.80118.2
1369Q29.5Very low28.6Very low157 Ų157125.5 Ų125.573%0.73470%0.697SS**  72.952.9114.8-158.8176.62.700117
1370T26.7Very low28.8Very low128 Ų128125.1 Ų125.179%0.78570%0.699SS**  trans-126.899.8147.4-38.10000104.6
1371Q26.9Very low29Very low165 Ų165126.7 Ų126.777%0.77169%0.694SS**  41.9106.989.7-61.7-168.68500109.5
1372Q27.3Very low29.2Very low164 Ų164125 Ų12577%0.76669%0.686SS**  cis-137.1150.144.1-73.1179-13.400111.2
1373L31.7Very low29.8Very low151 Ų151124.2 Ų124.279%0.79169%0.691SS**  44.8126.2105.3-42.3167.2000113.3
1374S32.6Very low30.1Very low94 Ų94123 Ų12366%0.65768%0.684SS**  cis177.7163.12.143.20000108.7
1375C30.2Very low30.3Very low120 Ų120125.7 Ų125.781%0.81169%0.687SS**  trans65.9155163.2-610000116.2
1376S38.6Very low30.5Very low103 Ų103126.2 Ų126.272%0.7268%0.683SS**  cis-153.9138.9-26.5-76.30000104.6
1377K26.4Very low30.8Very low187 Ų187125.9 Ų125.981%0.81369%0.686SS**  48.5144.565.5-82.8-166.8175.3-1760115.7
1378S31.7Very low31.2Very low98 Ų98127 Ų12769%0.68569%0.691SS**  trans71.6118.9179.9-46.70000114.3
1379S30.5Very low31.5Very low58 Ų58123.5 Ų123.541%0.40669%0.688SS.*  cis85.1128.524.196.20000116.7Q92 Q93Q92-S1379 PolarHBondContact OE1-OG 2.94Å; Q93-S1379 VanDerWaalsContact CD-CB 3.45Å; Q93-S1379 PolarHBondContact NE2-OG 2.9Å
1380S30.7Very low31.9Very low109 Ų109126.8 Ų126.876%0.76269%0.693SS**  trans-173.3140.7152.9-83.50000109.6
1381Y30.6Very low32.3Very low148 Ų148126.2 Ų126.258%0.5869%0.69SS**  cis-113.9-112.1-4.9-146-124.5000112.2Q90 Q91 Q92Q90-Y1381 PolarHBondContact NE2-OH 2.86Å; Q91-Y1381 VanDerWaalsContact NE2-CE1 3.26Å; Q91-Y1381 PolarHBondContact NE2-OH 2.85Å; Q92-Y1381 PolarHBondContact NE2-O 3.25Å
1382S30.6Very low32.4Very low74 Ų74124.4 Ų124.452%0.51769%0.692SS.*  cis-155.4-154.3-7.3-160.70000109.6
1383S37.8Very low32.5Very low115 Ų115122 Ų12280%0.80469%0.694SS**  trans0110.6164.8-53.40000117.3
1384N31.2Very low32.4Very low105 Ų105122.5 Ų122.556%0.56169%0.691SS**  trans-159.7161.4-169.1-117.1-126.1000110.6
1385K32.4Very low32.2Very low132 Ų132124.1 Ų124.157%0.57469%0.692SS**  cis-127.2-101.73.5-167.3172.4-168176.70111.9Q90Q90-K1385 WeakPolarHBondContact O-CD 3.32Å; Q90-K1385 PolarHBondContact O-NZ 2.88Å
1386K32.2Very low32.3Very low133 Ų133125.4 Ų125.458%0.57869%0.691SS**  cis-138.1171.3-4.3-157.1-164.8178.6-172.60108.5N87N87-K1386 PolarHBondContact O-NZ 3.41Å
1387T33.8Very low32.1Very low118 Ų118125.5 Ų125.572%0.72469%0.688SS**  trans69.4162.9-165.281.60000113
1388N37.1Very low32.3Very low145 Ų145122.5 Ų122.578%0.77569%0.687SS**  cis-113.8-143.2-23.4-159.6-12.7000110
1389S33.8Very low32.1Very low89 Ų89124.2 Ų124.262%0.62269%0.688SS**  trans-163.8177.1-166.162.50000111.9
1390R37.2Very low32.2Very low227 Ų227125 Ų12586%0.85770%0.699SS**  trans70.5150.1-179.1-60.2-167.5171.2-155.7-1.6115.5
1391T35.6Very low32.4Very low116 Ų116128.8 Ų128.871%0.71270%0.701SS**  cis-155.1139.8-2415.80000109.3
1392P28.9Very low32.6Very low126 Ų126127.4 Ų127.482%0.81870%0.703SS**  trans-87-164.5158.338.6-34.6000111.1
1393S29.8Very low32.8Very low114 Ų114129.1 Ų129.180%0.79771%0.712SS**  trans-80.5169.8-167.851.20000117.2
1394H28.9Very low32.7Very low161 Ų161131.7 Ų131.775%0.74571%0.709SS**  trans88.3146.9161.7-153.6-87.1000118.7
1395L27.2Very low32.8Very low128 Ų128133.9 Ų133.967%0.6772%0.72SS**  trans-54139.4176.5-6552.2000110.8
1396D32.5Very low33.1Very low147 Ų147132.5 Ų132.579%0.78673%0.727SS**  -159.6164.191.7-125.6-38.7000116.2
1397T34.8Very low33.3Very low106 Ų106130.6 Ų130.665%0.6573%0.73SS**  trans-96.3133.3-164.5-57.90000111.4N1399T1397-N1399 HydrophobicContact CG2-CB 3.64Å
1398P31.7Very low33.4Very low123 Ų123129.7 Ų129.780%0.79973%0.729SS**  -130.9132.795.236-26.9000112.4
1399N27.1Very low33.2Very low134 Ų134128.6 Ų128.672%0.71772%0.723SS**  73.2108.851.6-170.515.2000114T1397T1397-N1399 HydrophobicContact CG2-CB 3.64Å
1400A32.9Very low33.3Very low75 Ų75130.7 Ų130.762%0.6272%0.723SS**  trans59.5136.3168.700000116.3
1401K34.3Very low33.2Very low189 Ų189126.9 Ų126.982%0.82272%0.716SS**  cis-140.2152.328.2-73.9178.9178.4174.60109.3
1402I33.9Very low33.1Very low118 Ų118127.8 Ų127.861%0.60572%0.717SS**  64.1131.453-56.2165000110.3K1404I1402-K1404 HydrophobicContact CG2-CD 4.18Å; I1402-K1404 HydrophobicContact CG2-CG 4.17Å
1403P36.3Very low33.4Very low111 Ų111126 Ų12672%0.72171%0.708SS**  cis-87.6156.85.8-1.123.3000113
1404K34.6Very low33.7Very low169 Ų169125.6 Ų125.674%0.73571%0.705SS**  cis72.4154.643.1-54169.3175.1-1750114.6I1402I1402-K1404 HydrophobicContact CG2-CD 4.18Å; I1402-K1404 HydrophobicContact CG2-CG 4.17Å
1405L34.2Very low34Very low150 Ų150122.7 Ų122.779%0.78570%0.703SS**  trans72.4142.2163.1-57.3168.7000113.7
1406S37.1Very low34.3Very low103 Ų103121.8 Ų121.872%0.7271%0.707SS**  cis-170.1153.3-4.735.60000108.5
1407S37.7Very low34.5Very low94 Ų94118 Ų11866%0.65770%0.703SS**  cis-172.4156.3-9.9-90.20000107.6
1408S35.5Very low34.5Very low99 Ų99119.5 Ų119.569%0.69271%0.707SS**  trans65.6160150.9-75.80000117.1
1409N33.5Very low34.3Very low122 Ų122120.1 Ų120.165%0.65270%0.703SS**  cis-160.1160.7-11.7-100.5-5.2000104.8
1410Q34.6Very low34.6Very low133 Ų133118.8 Ų118.862%0.62170%0.704SS**  cis-165.4148.510.1-123.6166.538.700107.8
1411M36.2Very low34.3Very low146 Ų146122.4 Ų122.472%0.71971%0.713SS**  trans55.1158.9138.8-65.4172.8-174.100119.7
1412N33.3Very low34.1Very low136 Ų136121.6 Ų121.673%0.72771%0.713SS**  cis-170.1162.6-18.3-101.2-6000105
1413S35.4Very low34Very low88 Ų88123.3 Ų123.362%0.61572%0.721SS**  cis-171.4177.9-9.949.70000107.6
1414S35.4Very low33.9Very low106 Ų106121.8 Ų121.874%0.74173%0.726SS**  trans65.7138.2156.136.90000118.4
1415S35.4Very low33.9Very low100 Ų100117 Ų11770%0.69972%0.724SS**  cis-167.7148.1-5.343.80000112.7
1416S34Very low33.6Very low108 Ų108119.5 Ų119.576%0.75573%0.729SS**  trans42.8122.7147.159.90000120.1
1417G35.7Very low33.2Very low68 Ų68123.5 Ų123.570%0.70174%0.736SS**  cis118.7-170.7-0.600000114
1418N34.8Very low32.7Very low138 Ų138123.6 Ų123.674%0.73874%0.737SS**  trans73.2128.2-179-55.8-33.8000114.7
1419N27.9Very low32.5Very low136 Ų136125.9 Ų125.973%0.72774%0.741SS**  63126.754.4-51.4-40.2000110.3
1420S34.4Very low32.3Very low105 Ų105127.2 Ų127.273%0.73475%0.749SS**  cis-153.7146.545.6-55.30000109.8
1421N27.2Very low32.1Very low152 Ų152124.1 Ų124.181%0.81375%0.753SS**  38.4106.382.7-77.9-14.5000114.3
1422E29.5Very low31.9Very low172 Ų172121.8 Ų121.880%0.80475%0.75SS**  -177.9119.7116.3-95.4-167131.400110.3
1423I31.7Very low31.8Very low153 Ų153121.4 Ų121.479%0.78575%0.749SS**  72.7111.4101.2-64.1179000115.2
1424G33.9Very low31.5Very low80 Ų80125.3 Ų125.383%0.82576%0.761SS**  trans90.9146.5161.600000115.4
1425G33.9Very low31.3Very low68 Ų68124.1 Ų124.170%0.70175%0.753SS**  cis162.592.7-8.200000116.3
1426K28.4Very low31Very low203 Ų203125.6 Ų125.688%0.88375%0.751SS**  trans72.8159.8163.1-50.4171.4179.3171.70116.9
1427Q28.8Very low30.9Very low186 Ų186128.5 Ų128.587%0.86975%0.75SS**  trans72.3104.3170.4-62.3175.50.200114
1428S27.7Very low30.6Very low97 Ų97130.4 Ų130.468%0.67875%0.752SS**  85.392.264.4173.20000112.9
1429N30.1Very low30.5Very low146 Ų146129 Ų12978%0.78175%0.754SS**  trans-162.8139.3137.9-89.6-31.1000106.9
1430N30.1Very low30.7Very low151 Ų151129.3 Ų129.381%0.80776%0.755SS**  cis60.388.246.9-71.9-23.9000113.5
1431G30.9Very low30.4Very low68 Ų68131.5 Ų131.570%0.70176%0.758SS**  trans155.978.9173.100000112.6
1432S32.2Very low30.3Very low96 Ų96135.7 Ų135.767%0.67176%0.762SS**  90.7136.357.475.70000113.9
1433N30.7Very low30.2Very low129 Ų129137.7 Ų137.769%0.6977%0.768SS**  trans74.1141.4173.8-42.8-57.4000113.8
1434L29.8Very low29.9Very low169 Ų169138.8 Ų138.889%0.88577%0.77SS**SBendcis-119149.713.9-68.8159.9000110.7
1435S29.9Very low29.5Very low82 Ų82141.8 Ų141.857%0.57377%0.767SS**  cis-167124.4-0.61470000111.8
1436M30.4Very low29.3Very low130 Ų130147.7 Ų147.764%0.6478%0.777SS**  trans63.9156.9162.4-48.4-75.7101.800117.2
1437K31.7Very low29.5Very low169 Ų169141.8 Ų141.874%0.73577%0.765SS**  cis-162.6137.2-31.6-106.4169.2-178.9155.60104.4
1438S29.2Very low29.7Very low108 Ų108140.3 Ų140.376%0.75576%0.762SS**  cis71.578.943.8-170.70000115
1439S33.1Very low29.8Very low110 Ų110140.8 Ų140.877%0.76976%0.761SS**  trans178.8151.2156.354.30000110.8
1440D31Very low29.6Very low142 Ų142142.6 Ų142.676%0.75977%0.767SS**  cis-165.7178.4-34.6-128.4-57.9000109.9
1441L29.1Very low29.6Very low150 Ų150140.1 Ų140.179%0.78576%0.761SS**SBendtrans-67.2142.6-178.5-7972000114
1442R24.2Very low29.4Very low240 Ų240140.6 Ų140.691%0.90676%0.759SS**  trans60.3100.3165.3-71.5175.9160.1172.6-6.1117.5
1443K27.8Very low29.2Very low215 Ų215142 Ų14294%0.93576%0.759SS**  trans-162.1167.2135.3-109.7157.6-172.71790112.1
1444Q25.5Very low29.1Very low175 Ų175143.3 Ų143.382%0.81877%0.765SS**  trans-104.6155.5178.1-61.3170.4-78.400110.3
1445N24.9Very low28.9Very low144 Ų144141.9 Ų141.977%0.7775%0.753SS**  trans67.3160.9163.9-60.3-5.7000118.5
1446E30Very low28.8Very low192 Ų192148.2 Ų148.290%0.89777%0.771SS**  trans71.6148.5166.9-61.1173-165.500118.7
1447A32.5Very low28.8Very low78 Ų78149.9 Ų149.965%0.64578%0.782SS**  cis-170.6142.4-3300000111.5
1448I32.1Very low28.6Very low156 Ų156148.7 Ų148.780%0.878%0.784SS**  trans61112.3135-65.9174.5000120.7
1449T30.1Very low28.8Very low106 Ų106150.7 Ų150.765%0.6579%0.787SS**  trans75.2118.1136.6-61.40000123.3S1451T1449-S1451 WeakPolarHBondContact CG2-OG 3.48Å
1450M27Very low28.7Very low184 Ų184149.9 Ų149.991%0.90678%0.781SS**  -129.8126.1114-74.4-172.3-95.500106.7
1451S28.7Very low28.8Very low99 Ų99149.4 Ų149.469%0.69278%0.783SS**  74.5133.553.8-64.70000112.7T1449T1449-S1451 WeakPolarHBondContact CG2-OG 3.48Å
1452A28.3Very low28.6Very low79 Ų79146.6 Ų146.665%0.65378%0.776SS**  cis-154.7169.2-10.500000106.8
1453N27.4Very low28.9Very low125 Ų125142.1 Ų142.167%0.66878%0.775SS**SBendcis-147.6166.133.7-70.4-77.9000108.6H1455N1453-H1455 PolarHBondContact OD1-CE1 3.34Å
1454L28.4Very low29Very low156 Ų156135.2 Ų135.282%0.81777%0.766SS**SBendcis-127.2123.321.1-69.7151.3000112.8
1455H25.9Very low29.2Very low139 Ų139134.5 Ų134.564%0.64477%0.767SS**  46.5102.2126.1-66.490.8000121N1453N1453-H1455 PolarHBondContact OD1-CE1 3.34Å
1456F28.6Very low29.3Very low215 Ų215134.3 Ų134.394%0.94377%0.765SS**  -130.9153.2126.6-91.6-76.5000110.2
1457N30.3Very low29.2Very low165 Ų165132.4 Ų132.488%0.88276%0.762SS**  trans-78.2143.4-160.5-161.85.1000113
1458N27.5Very low28.9Very low145 Ų145134 Ų13478%0.77577%0.768SS**  trans-132.4131.5-166.8-147.70.9000110.1
1459N32.4Very low28.9Very low150 Ų150134 Ų13480%0.80277%0.769SS**  trans-160.5148.8166.6-126.7-24.1000114.2
1460S32.1Very low28.7Very low93 Ų93134.1 Ų134.165%0.6577%0.774SS**  trans67.291.1161.4-53.40000120.1
1461T31.2Very low28.8Very low131 Ų131129.7 Ų129.780%0.80477%0.766SS**  38.5149.6112.757.80000122
1462S25.8Very low28.9Very low92 Ų92128.4 Ų128.464%0.64376%0.762SS**  cis177.7162.6-20.754.70000109.9
1463T31Very low29Very low145 Ų145132.2 Ų132.289%0.8977%0.766SS**  trans65.1136.8164.467.60000119.3
1464G28.5Very low29.1Very low71 Ų71133.9 Ų133.973%0.73277%0.774SS**  trans152.497.1160.400000118.2
1465L31Very low29.1Very low159 Ų159129.7 Ų129.783%0.83276%0.758SS**  trans56.7109.9143.5-52.5178.3000121.4
1466N27.6Very low29.3Very low140 Ų140129 Ų12975%0.74976%0.757SS**  32.8137.3126.8-56.6-20.5000122.1
1467N27.6Very low29.4Very low153 Ų153122.4 Ų122.482%0.81874%0.742SS**SBendtrans86.4132.2164-55.7-29.9000117.6
1468S26.5Very low30Very low111 Ų111119.6 Ų119.678%0.77673%0.731SS**  trans43.779.9161.158.20000118.1
1469L31.1Very low31Very low156 Ų156121.2 Ų121.282%0.81773%0.734SS**  trans-113.369.2149.4-139.277.6000110.4A1472L1469-A1472 HydrophobicContact CD2-CB 3.91Å; L1469-A1472 HydrophobicContact CG-CB 4.14Å
1470S26.6Very low32.3Very low108 Ų108118.4 Ų118.476%0.75572%0.719SS**  trans-61.3131.7171.1167.50000110.4A1472S1470-A1472 VanDerWaalsContact C-N 3.34Å; S1470-A1472 PolarHBondContact O-N 2.79Å; S1470-A1472 VanDerWaalsContact O-N 3.08Å
1471A28.4Very low34.3Very low91 Ų91117 Ų11775%0.75270%0.701SS**SBendtrans36.259.6162.700000114.1Q1473A1471-Q1473 PolarHBondContact O-N 3.41Å
1472A30.3Very low36.6Very low73 Ų73117.9 Ų117.960%0.60369%0.69SS**  trans-69.677.1-170.300000112.9L1469 S1470 L1474L1469-A1472 HydrophobicContact CD2-CB 3.91Å; L1469-A1472 HydrophobicContact CG-CB 4.14Å; S1470-A1472 VanDerWaalsContact C-N 3.34Å; S1470-A1472 PolarHBondContact O-N 2.79Å; S1470-A1472 VanDerWaalsContact O-N 3.08Å; A1472-L1474 PolarHBondContact O-N 3.29Å
1473Q30.1Very low39.5Very low159 Ų159115.1 Ų115.174%0.74367%0.667SS**  trans12.690.3151.9-70.4-174.7-82.400116.5A1471 S1475A1471-Q1473 PolarHBondContact O-N 3.41Å; Q1473-S1475 VanDerWaalsContact NE2-CB 3.27Å; Q1473-S1475 PolarHBondContact NE2-OG 2.77Å; Q1473-S1475 PolarHBondContact O-N 2.89Å; Q1473-S1475 VanDerWaalsContact O-N 3.08Å
1474L30.9Very low42Very low159 Ų159112.7 Ų112.783%0.83265%0.646SS**  trans-78.259.3136.4-156.877.9000108.6A1472 M1476A1472-L1474 PolarHBondContact O-N 3.29Å; L1474-M1476 PolarHBondContact O-N 2.92Å
1475S27.3Very low44.9Very low69 Ų69111 Ų11148%0.48362%0.621SS.*  trans-80.857.9-177.1-179.80000110.5Q1473 A1477Q1473-S1475 VanDerWaalsContact NE2-CB 3.27Å; Q1473-S1475 PolarHBondContact NE2-OG 2.77Å; Q1473-S1475 PolarHBondContact O-N 2.89Å; Q1473-S1475 VanDerWaalsContact O-N 3.08Å; S1475-A1477 PolarHBondContact O-N 3.5Å; S1475-A1477 VanDerWaalsContact O-N 3.12Å
1476M29.7Very low47.4Very low125 Ų125107.3 Ų107.362%0.61660%0.6SS**  trans-61.6112.4153.7-64.3-164.8-168.500106L1474 T1478L1474-M1476 PolarHBondContact O-N 2.92Å; M1476-T1478 PolarHBondContact O-N 2.92Å
1477A31Very low50.1Low76 Ų76104.1 Ų104.163%0.62859%0.587SS**  trans-8157.6-156.600000114S1475 Q1479S1475-A1477 PolarHBondContact O-N 3.5Å; S1475-A1477 VanDerWaalsContact O-N 3.12Å; A1477-Q1479 HydrophobicContact CB-CG 4.48Å; A1477-Q1479 PolarHBondContact O-N 2.78Å
1478T42.8Very low52.7Low105 Ų10596.9 Ų96.964%0.64455%0.548SS*.  trans-71.279.3153.344.90000108.3M1476 N1480M1476-T1478 PolarHBondContact O-N 2.92Å; T1478-N1480 PolarHBondContact O-N 3.13Å
1479Q49.7Very low55.3Low180 Ų18093.6 Ų93.684%0.84153%0.528SS*.THydrogen-bonded Turntrans-6313.5174.8-66.9-172-18.900114.2A1477A1477-Q1479 HydrophobicContact CB-CG 4.48Å; A1477-Q1479 PolarHBondContact O-N 2.78Å
1480N59.8Low57.7Low90 Ų9091.1 Ų91.148%0.48152%0.521SS..THydrogen-bonded Turntrans-142.825.8-155.4-76.1-21.1000109.8T1478 M1504 G1505T1478-N1480 PolarHBondContact O-N 3.13Å; N1480-M1504 CarbonylContact O-C 3.59Å; N1480-M1504 VanDerWaalsContact O-CA 3.28Å; N1480-M1504 WeakPolarHBondContact O-CA 3.29Å; N1480-G1505 PolarHBondContact O-N 3.34Å
1481F74.1Confident60.4Low64 Ų6490 Ų9028%0.28151%0.505SS..EExtended strand (participates in β ladder)trans-144121.8173.1-164.4-109.7000112.8A1307 I1483 M1502 E1503 M1504A1307-F1481 HydrophobicContact CB-CE1 4.23Å; A1307-F1481 HydrophobicContact CB-CZ 4.17Å; F1481-I1483 HydrophobicContact CE1-CD1 3.8Å; F1481-I1483 HydrophobicContact CE1-CG1 3.85Å; F1481-I1483 HydrophobicContact CZ-CD1 3.83Å; F1481-I1483 HydrophobicContact CZ-CG1 3.86Å; F1481-M1502 HydrophobicContact CE2-CG 3.63Å; F1481-M1502 HydrophobicContact CE2-SD 3.76Å; F1481-M1502 HydrophobicContact CZ-CE 4.21Å; F1481-M1502 HydrophobicContact CZ-CG 3.99Å; F1481-M1502 HydrophobicContact CZ-SD 3.96Å; F1481-E1503 VanDerWaalsContact CA-O 3.28Å; F1481-E1503 WeakPolarHBondContact CA-O 3.38Å; F1481-E1503 WeakPolarHBondContact CD2-O 3.37Å; F1481-M1504 HydrophobicContact CD2-CB 3.9Å; F1481-M1504 HydrophobicContact CD2-CG 3.83Å; F1481-M1504 HydrophobicContact CD2-SD 4.17Å; F1481-M1504 HydrophobicContact CE2-CB 4.18Å; F1481-M1504 HydrophobicContact CE2-CG 4.2Å; F1481-M1504 HydrophobicContact CE2-SD 4.01Å
1482R78.6Confident63.1Low150 Ų15089.1 Ų89.157%0.56651%0.505SS*.EExtended strand (participates in β ladder)trans-145.4130.9175.8161.6-175.1-88.3-175.9-5.7109.9M1502 E1503R1482-M1502 CarbonylContact O-C 3.57Å; R1482-M1502 WeakPolarHBondContact O-CA 3.31Å; R1482-E1503 HydrophobicContact CB-CB 4.15Å; R1482-E1503 WeakPolarHBondContact CD-OE2 3.46Å; R1482-E1503 PolarHBondContact N-O 3.21Å; R1482-E1503 PolarHBondContact O-N 3.3Å
1483I87.1Confident65.7Low33 Ų3388.1 Ų88.117%0.16949%0.489CS..EExtended strand (participates in β ladder)trans-107.7134.9168.5-57.1173.9000109A1307 F1481 T1485 V1500 T1501 M1502A1307-I1483 HydrophobicContact CB-CD1 3.61Å; F1481-I1483 HydrophobicContact CE1-CD1 3.8Å; F1481-I1483 HydrophobicContact CE1-CG1 3.85Å; F1481-I1483 HydrophobicContact CZ-CD1 3.83Å; F1481-I1483 HydrophobicContact CZ-CG1 3.86Å; I1483-T1485 HydrophobicContact CG2-CG2 4.5Å; I1483-V1500 HydrophobicContact CG2-CG1 4.07Å; I1483-T1501 CarbonylContact C-O 3.57Å; I1483-T1501 WeakPolarHBondContact CA-O 3.29Å; I1483-M1502 HydrophobicContact CD1-CE 3.93Å; I1483-M1502 HydrophobicContact CG1-CB 4.48Å; I1483-M1502 HydrophobicContact CG1-CE 4.14Å; I1483-M1502 HydrophobicContact CG1-CG 4.19Å
1484Q82.8Confident68.2Low95 Ų9583.8 Ų83.844%0.44448%0.475SS..EExtended strand (participates in β ladder)trans-130.7133.8169.8-173.8177.4700109.5T1501Q1484-T1501 PolarHBondContact N-O 3.02Å; Q1484-T1501 PolarHBondContact O-N 2.97Å
1485T89.5Confident70.5Confident35 Ų3584.8 Ų84.822%0.21548%0.475CS..EExtended strand (participates in β ladder)trans-112.5147.717461.30000110.3A1314 I1483 V1499 V1500A1314-T1485 HydrophobicContact CB-CG2 4.05Å; I1483-T1485 HydrophobicContact CG2-CG2 4.5Å; T1485-V1499 CarbonylContact C-O 3.17Å; T1485-V1499 WeakPolarHBondContact CA-O 3.2Å; T1485-V1500 HydrophobicContact CG2-CG1 4.41Å; T1485-V1500 HydrophobicContact CG2-CG2 4.09Å
1486Q83Confident73.2Confident81 Ų8184.2 Ų84.238%0.37947%0.467SS..EExtended strand (participates in β ladder)trans-140.6144.5173.5-64.3-168.834.500110M1491 V1499Q1486-M1491 HydrophobicContact CB-CE 3.72Å; Q1486-V1499 PolarHBondContact N-O 3.37Å; Q1486-V1499 PolarHBondContact O-N 3.34Å
1487P84.2Confident75.8Confident74 Ų7478.4 Ų78.448%0.48144%0.438SS..EExtended strand (participates in β ladder)trans-58.8146.5170.5-21.433.1000111.3P1490 M1491P1487-P1490 WeakPolarHBondContact O-CD 3.32Å; P1487-M1491 WeakPolarHBondContact O-CE 3.45Å
1488G82.9Confident78.5Confident0 Ų077 Ų770%042%0.42CS..SBendtrans-74.8-29.3178.700000114.6M1491 G1492 L1493 A1497G1488-M1491 CarbonylContact O-C 3.53Å; G1488-M1491 WeakPolarHBondContact O-CA 3.28Å; G1488-M1491 PolarHBondContact O-N 3.07Å; G1488-G1492 PolarHBondContact O-N 3.47Å; G1488-L1493 CarbonylContact C-O 3.5Å; G1488-L1493 WeakPolarHBondContact O-CB 3.29Å; G1488-L1493 PolarHBondContact O-N 3.3Å; G1488-L1493 VanDerWaalsContact O-N 3.12Å; G1488-A1497 WeakPolarHBondContact CA-O 3.32Å; G1488-A1497 PolarHBondContact N-O 3.02Å
1489A81.6Confident80.6Confident43 Ų4372.3 Ų72.336%0.35539%0.391SS..G310 helixtrans-57.6-41.9-175.100000114.8M1491 G1492 L1493A1489-M1491 PolarHBondContact O-N 3.43Å; A1489-M1491 VanDerWaalsContact O-N 3.13Å; A1489-G1492 PolarHBondContact O-N 2.8Å; A1489-L1493 WeakPolarHBondContact CA-O 3.31Å; A1489-L1493 PolarHBondContact N-O 3.41Å
1490P82.5Confident82.6Confident104 Ų10464.6 Ų64.668%0.67536%0.356SS*.G310 helixtrans-59.5-17.1170.7-26.635.8000115.7P1487P1487-P1490 WeakPolarHBondContact O-CD 3.32Å
1491M82.7Confident84Confident83 Ų8361.3 Ų61.341%0.40934%0.34SS..G310 helixtrans-11016.6-179.2-72171.9-82.300112.7Q1486 P1487 G1488 A1489 L1493 V1499Q1486-M1491 HydrophobicContact CB-CE 3.72Å; P1487-M1491 WeakPolarHBondContact O-CE 3.45Å; G1488-M1491 CarbonylContact O-C 3.53Å; G1488-M1491 WeakPolarHBondContact O-CA 3.28Å; G1488-M1491 PolarHBondContact O-N 3.07Å; A1489-M1491 PolarHBondContact O-N 3.43Å; A1489-M1491 VanDerWaalsContact O-N 3.13Å; M1491-L1493 PolarHBondContact O-N 3.48Å; M1491-V1499 HydrophobicContact CE-CB 3.81Å; M1491-V1499 HydrophobicContact CE-CG1 4.45Å; M1491-V1499 HydrophobicContact CE-CG2 3.44Å; M1491-V1499 VanDerWaalsContact CE-CG2 3.44Å; M1491-V1499 HydrophobicContact SD-CB 4.5Å; M1491-V1499 HydrophobicContact SD-CG2 4.01Å
1492G84.4Confident84.7Confident74 Ų7461 Ų6176%0.76334%0.339SS*.THydrogen-bonded Turntrans74.66.4178.700000115G1488 A1489G1488-G1492 PolarHBondContact O-N 3.47Å; A1489-G1492 PolarHBondContact O-N 2.8Å
1493L85.7Confident85Confident51 Ų5157.7 Ų57.727%0.26733%0.331SS..SBendtrans-83.8152.7171.6-62162.8000109.6G1488 A1489 M1491 A1497 V1499 V1512 F1514G1488-L1493 CarbonylContact C-O 3.5Å; G1488-L1493 WeakPolarHBondContact O-CB 3.29Å; G1488-L1493 PolarHBondContact O-N 3.3Å; G1488-L1493 VanDerWaalsContact O-N 3.12Å; A1489-L1493 WeakPolarHBondContact CA-O 3.31Å; A1489-L1493 PolarHBondContact N-O 3.41Å; M1491-L1493 PolarHBondContact O-N 3.48Å; L1493-A1497 HydrophobicContact CB-CB 3.79Å; L1493-V1499 HydrophobicContact CD1-CG2 3.54Å; L1493-V1512 HydrophobicContact CD1-CG1 3.88Å; L1493-V1512 HydrophobicContact CD1-CG2 3.9Å; L1493-F1514 HydrophobicContact CD2-CZ 4.39Å
1494P82.4Confident84.8Confident68 Ų6860.7 Ų60.744%0.44235%0.345SS..  trans-61157.3-179.727.1-36.6000112.2N1496 A1497 F1514P1494-N1496 WeakPolarHBondContact CB-OD1 3.34Å; P1494-N1496 PolarHBondContact O-N 2.83Å; P1494-A1497 HydrophobicContact CG-CB 4.42Å; P1494-A1497 WeakPolarHBondContact O-CB 3.17Å; P1494-A1497 PolarHBondContact O-N 2.76Å; P1494-F1514 HydrophobicContact CG-CD1 3.97Å; P1494-F1514 HydrophobicContact CG-CE1 3.71Å
1495Q79.4Confident84.7Confident181 Ų18157.4 Ų57.485%0.84634%0.337SS*.THydrogen-bonded Turntrans-64.8-15.2-168-161.6129.817.200115.1
1496N83.8Confident84.4Confident57 Ų5763.7 Ų63.731%0.30537%0.369SS..THydrogen-bonded Turntrans-90.65.417370.9-48.6000113.7P1494 F1514 G1515P1494-N1496 WeakPolarHBondContact CB-OD1 3.34Å; P1494-N1496 PolarHBondContact O-N 2.83Å; N1496-F1514 CarbonylContact O-C 3.47Å; N1496-G1515 PolarHBondContact O-N 2.91Å
1497A84.4Confident84.3Confident2 Ų264.3 Ų64.32%0.01737%0.374CS..EExtended strand (participates in β ladder)trans-90.3140.1174.500000111.6G1488 L1493 P1494 V1512 L1513 F1514G1488-A1497 WeakPolarHBondContact CA-O 3.32Å; G1488-A1497 PolarHBondContact N-O 3.02Å; L1493-A1497 HydrophobicContact CB-CB 3.79Å; P1494-A1497 HydrophobicContact CG-CB 4.42Å; P1494-A1497 WeakPolarHBondContact O-CB 3.17Å; P1494-A1497 PolarHBondContact O-N 2.76Å; A1497-V1512 HydrophobicContact CB-CG1 3.87Å; A1497-L1513 CarbonylContact C-O 3.47Å; A1497-L1513 VanDerWaalsContact CA-O 3.26Å; A1497-L1513 WeakPolarHBondContact CA-O 3.26Å; A1497-F1514 HydrophobicContact CB-CD1 3.93Å; A1497-F1514 HydrophobicContact CB-CE1 3.95Å
1498I86.5Confident84.5Confident47 Ų4766.1 Ų66.124%0.24138%0.379CS..EExtended strand (participates in β ladder)trans-123.4125.8168.6-59.8176.9000107.4A1318 V1500 V1512 L1513A1318-I1498 HydrophobicContact CB-CD1 4.15Å; I1498-V1500 HydrophobicContact CG2-CG2 4.2Å; I1498-V1512 WeakPolarHBondContact O-CA 3.09Å; I1498-L1513 PolarHBondContact N-O 3.33Å; I1498-L1513 PolarHBondContact O-N 2.8Å
1499V88.2Confident84.8Confident7 Ų771.5 Ų71.54%0.04240%0.4CS..EExtended strand (participates in β ladder)trans-85.7128171.2-175.70000108.1T1485 Q1486 M1491 L1493 Q1510 G1511 V1512T1485-V1499 CarbonylContact C-O 3.17Å; T1485-V1499 WeakPolarHBondContact CA-O 3.2Å; Q1486-V1499 PolarHBondContact N-O 3.37Å; Q1486-V1499 PolarHBondContact O-N 3.34Å; M1491-V1499 HydrophobicContact CE-CB 3.81Å; M1491-V1499 HydrophobicContact CE-CG1 4.45Å; M1491-V1499 HydrophobicContact CE-CG2 3.44Å; M1491-V1499 VanDerWaalsContact CE-CG2 3.44Å; M1491-V1499 HydrophobicContact SD-CB 4.5Å; M1491-V1499 HydrophobicContact SD-CG2 4.01Å; L1493-V1499 HydrophobicContact CD1-CG2 3.54Å; V1499-Q1510 HydrophobicContact CG1-CG 3.99Å; V1499-G1511 CarbonylContact C-O 3.55Å; V1499-G1511 WeakPolarHBondContact CA-O 3.14Å; V1499-V1512 HydrophobicContact CG2-CG2 4.3Å
1500V90.7Very high85.3Confident17 Ų1775.7 Ų75.710%0.10341%0.412CS..EExtended strand (participates in β ladder)trans-116.2125.6177.6-176.60000108.2L1311 I1483 T1485 I1498 Q1510 G1511 L1513L1311-V1500 HydrophobicContact CD1-CG1 4.35Å; L1311-V1500 HydrophobicContact CD1-CG2 3.96Å; I1483-V1500 HydrophobicContact CG2-CG1 4.07Å; T1485-V1500 HydrophobicContact CG2-CG1 4.41Å; T1485-V1500 HydrophobicContact CG2-CG2 4.09Å; I1498-V1500 HydrophobicContact CG2-CG2 4.2Å; V1500-Q1510 WeakPolarHBondContact O-CA 3.3Å; V1500-G1511 PolarHBondContact N-O 2.66Å; V1500-G1511 PolarHBondContact O-N 3.19Å; V1500-L1513 HydrophobicContact CB-CD1 4.23Å; V1500-L1513 HydrophobicContact CG2-CD1 3.49Å; V1500-L1513 VanDerWaalsContact CG2-CD1 3.49Å
1501T89Confident85.6Confident22 Ų2271.9 Ų71.914%0.13539%0.392CS..EExtended strand (participates in β ladder)trans-113.5127.1174.9-47.20000107.5I1483 Q1484 L1508 Y1509I1483-T1501 CarbonylContact C-O 3.57Å; I1483-T1501 WeakPolarHBondContact CA-O 3.29Å; Q1484-T1501 PolarHBondContact N-O 3.02Å; Q1484-T1501 PolarHBondContact O-N 2.97Å; T1501-L1508 HydrophobicContact CG2-CD1 3.57Å; T1501-L1508 HydrophobicContact CG2-CD2 4.27Å; T1501-L1508 HydrophobicContact CG2-CG 3.92Å; T1501-Y1509 CarbonylContact C-O 3.48Å; T1501-Y1509 WeakPolarHBondContact CA-O 3.25Å
1502M89.6Confident85.9Confident56 Ų5670.4 Ų70.428%0.27639%0.387SS..EExtended strand (participates in β ladder)trans-130.1105.9-177.9177.5-175.1-64.600108.5F1481 R1482 I1483 Y1509F1481-M1502 HydrophobicContact CE2-CG 3.63Å; F1481-M1502 HydrophobicContact CE2-SD 3.76Å; F1481-M1502 HydrophobicContact CZ-CE 4.21Å; F1481-M1502 HydrophobicContact CZ-CG 3.99Å; F1481-M1502 HydrophobicContact CZ-SD 3.96Å; R1482-M1502 CarbonylContact O-C 3.57Å; R1482-M1502 WeakPolarHBondContact O-CA 3.31Å; I1483-M1502 HydrophobicContact CD1-CE 3.93Å; I1483-M1502 HydrophobicContact CG1-CB 4.48Å; I1483-M1502 HydrophobicContact CG1-CE 4.14Å; I1483-M1502 HydrophobicContact CG1-CG 4.19Å; M1502-Y1509 PolarHBondContact N-O 3.37Å; M1502-Y1509 WeakPolarHBondContact O-CB 3.29Å; M1502-Y1509 PolarHBondContact O-N 3.04Å
1503E85.2Confident86Confident82 Ų8269.3 Ų69.338%0.38336%0.364SS..EExtended strand (participates in β ladder)trans-81.7122.8171.1-175.4172.9-159.700107.7F1481 R1482 L1508F1481-E1503 VanDerWaalsContact CA-O 3.28Å; F1481-E1503 WeakPolarHBondContact CA-O 3.38Å; F1481-E1503 WeakPolarHBondContact CD2-O 3.37Å; R1482-E1503 HydrophobicContact CB-CB 4.15Å; R1482-E1503 WeakPolarHBondContact CD-OE2 3.46Å; R1482-E1503 PolarHBondContact N-O 3.21Å; R1482-E1503 PolarHBondContact O-N 3.3Å; E1503-L1508 HydrophobicContact CB-CD1 3.93Å; E1503-L1508 HydrophobicContact CG-CD1 4.44Å
1504M81.9Confident86Confident96 Ų9671.4 Ų71.447%0.47337%0.371SS..EExtended strand (participates in β ladder)trans-141.2112.5178.2-170.1168.7-167.900110.5N1480 F1481 I1507 Y1509N1480-M1504 CarbonylContact O-C 3.59Å; N1480-M1504 VanDerWaalsContact O-CA 3.28Å; N1480-M1504 WeakPolarHBondContact O-CA 3.29Å; F1481-M1504 HydrophobicContact CD2-CB 3.9Å; F1481-M1504 HydrophobicContact CD2-CG 3.83Å; F1481-M1504 HydrophobicContact CD2-SD 4.17Å; F1481-M1504 HydrophobicContact CE2-CB 4.18Å; F1481-M1504 HydrophobicContact CE2-CG 4.2Å; F1481-M1504 HydrophobicContact CE2-SD 4.01Å; M1504-I1507 PolarHBondContact N-O 2.97Å; M1504-I1507 WeakPolarHBondContact O-CB 3.04Å; M1504-I1507 PolarHBondContact O-N 2.67Å; M1504-I1507 VanDerWaalsContact O-N 3.12Å; M1504-Y1509 HydrophobicContact CB-CD2 4.46Å; M1504-Y1509 HydrophobicContact CB-CE2 4.22Å
1505G81.9Confident85.5Confident26 Ų2670.4 Ų70.427%0.26837%0.372SS..THydrogen-bonded Turntrans59.9-138.8-161.800000110.2N1480 I1507N1480-G1505 PolarHBondContact O-N 3.34Å; G1505-I1507 PolarHBondContact O-N 2.7Å
1506N81.9Confident84.4Confident167 Ų16769.9 Ų69.989%0.89337%0.37SS*.THydrogen-bonded Turntrans-85.812.8173.5-58.536.7000112.4
1507I81.4Confident82.7Confident93 Ų9373.1 Ų73.148%0.47739%0.387SS..EExtended strand (participates in β ladder)trans-106.1123.4-174.6-51.2176.9000109.5M1504 G1505 Y1509M1504-I1507 PolarHBondContact N-O 2.97Å; M1504-I1507 WeakPolarHBondContact O-CB 3.04Å; M1504-I1507 PolarHBondContact O-N 2.67Å; M1504-I1507 VanDerWaalsContact O-N 3.12Å; G1505-I1507 PolarHBondContact O-N 2.7Å; I1507-Y1509 HydrophobicContact CB-CE2 3.97Å; I1507-Y1509 HydrophobicContact CG2-CD2 4.02Å; I1507-Y1509 HydrophobicContact CG2-CE1 4.26Å; I1507-Y1509 HydrophobicContact CG2-CE2 3.54Å
1508L88Confident80.7Confident113 Ų11382.3 Ų82.359%0.59243%0.426SS*.EExtended strand (participates in β ladder)trans-99.8104.5174.5-166.672.9000110T1501 E1503T1501-L1508 HydrophobicContact CG2-CD1 3.57Å; T1501-L1508 HydrophobicContact CG2-CD2 4.27Å; T1501-L1508 HydrophobicContact CG2-CG 3.92Å; E1503-L1508 HydrophobicContact CB-CD1 3.93Å; E1503-L1508 HydrophobicContact CG-CD1 4.44Å
1509Y90.8Very high78.5Confident112 Ų11294.7 Ų94.744%0.43947%0.47SS..EExtended strand (participates in β ladder)trans-83.8133.3169.6-61.7-89.4000109.4T1501 M1502 M1504 I1507T1501-Y1509 CarbonylContact C-O 3.48Å; T1501-Y1509 WeakPolarHBondContact CA-O 3.25Å; M1502-Y1509 PolarHBondContact N-O 3.37Å; M1502-Y1509 WeakPolarHBondContact O-CB 3.29Å; M1502-Y1509 PolarHBondContact O-N 3.04Å; M1504-Y1509 HydrophobicContact CB-CD2 4.46Å; M1504-Y1509 HydrophobicContact CB-CE2 4.22Å; I1507-Y1509 HydrophobicContact CB-CE2 3.97Å; I1507-Y1509 HydrophobicContact CG2-CD2 4.02Å; I1507-Y1509 HydrophobicContact CG2-CE1 4.26Å; I1507-Y1509 HydrophobicContact CG2-CE2 3.54Å
1510Q90.3Very high78.1Confident132 Ų13299.1 Ų99.162%0.61749%0.492SS*.EExtended strand (participates in β ladder)trans-133.1133.9172.2-164.4177.423.200109.9V1499 V1500V1499-Q1510 HydrophobicContact CG1-CG 3.99Å; V1500-Q1510 WeakPolarHBondContact O-CA 3.3Å
1511G88.9Confident77.4Confident23 Ų23103.4 Ų103.424%0.23751%0.512CS..EExtended strand (participates in β ladder)trans-149.7168.6-17800000112.7V1499 V1500V1499-G1511 CarbonylContact C-O 3.55Å; V1499-G1511 WeakPolarHBondContact CA-O 3.14Å; V1500-G1511 PolarHBondContact N-O 2.66Å; V1500-G1511 PolarHBondContact O-N 3.19Å
1512V90Very high76.8Confident52 Ų52107.9 Ų107.932%0.31553%0.533SS..EExtended strand (participates in β ladder)trans-123.9124.3-179.7-171.10000109.4L1493 A1497 I1498 V1499 F1514L1493-V1512 HydrophobicContact CD1-CG1 3.88Å; L1493-V1512 HydrophobicContact CD1-CG2 3.9Å; A1497-V1512 HydrophobicContact CB-CG1 3.87Å; I1498-V1512 WeakPolarHBondContact O-CA 3.09Å; V1499-V1512 HydrophobicContact CG2-CG2 4.3Å; V1512-F1514 HydrophobicContact CB-CE2 3.94Å; V1512-F1514 HydrophobicContact CB-CZ 4.41Å; V1512-F1514 HydrophobicContact CG1-CD2 4.06Å; V1512-F1514 HydrophobicContact CG1-CE1 4.33Å; V1512-F1514 HydrophobicContact CG1-CE2 3.53Å; V1512-F1514 HydrophobicContact CG1-CZ 3.7Å
1513L86.6Confident76Confident51 Ų51111 Ų11127%0.26755%0.548SS..EExtended strand (participates in β ladder)trans-100.9133168.8-70.290.7000109.5A1497 I1498 V1500A1497-L1513 CarbonylContact C-O 3.47Å; A1497-L1513 VanDerWaalsContact CA-O 3.26Å; A1497-L1513 WeakPolarHBondContact CA-O 3.26Å; I1498-L1513 PolarHBondContact N-O 3.33Å; I1498-L1513 PolarHBondContact O-N 2.8Å; V1500-L1513 HydrophobicContact CB-CD1 4.23Å; V1500-L1513 HydrophobicContact CG2-CD1 3.49Å; V1500-L1513 VanDerWaalsContact CG2-CD1 3.49Å
1514F86.3Confident75.4Confident96 Ų96112.8 Ų112.842%0.42156%0.558SS.*EExtended strand (participates in β ladder)trans-10887.1178.2-66.4-94.9000110.1C452 L1493 P1494 N1496 A1497 V1512C452-F1514 PolarHBondContact SG-N 3.28Å; C452-F1514 PolarHBondContact SG-O 3.21Å; L1493-F1514 HydrophobicContact CD2-CZ 4.39Å; P1494-F1514 HydrophobicContact CG-CD1 3.97Å; P1494-F1514 HydrophobicContact CG-CE1 3.71Å; N1496-F1514 CarbonylContact O-C 3.47Å; A1497-F1514 HydrophobicContact CB-CD1 3.93Å; A1497-F1514 HydrophobicContact CB-CE1 3.95Å; V1512-F1514 HydrophobicContact CB-CE2 3.94Å; V1512-F1514 HydrophobicContact CB-CZ 4.41Å; V1512-F1514 HydrophobicContact CG1-CD2 4.06Å; V1512-F1514 HydrophobicContact CG1-CE1 4.33Å; V1512-F1514 HydrophobicContact CG1-CE2 3.53Å; V1512-F1514 HydrophobicContact CG1-CZ 3.7Å
1515G70.7Confident75Confident46 Ų46113.9 Ų113.947%0.47456%0.564SS.*  trans-102.1112.9-17200000113.8N1496 L1517N1496-G1515 PolarHBondContact O-N 2.91Å; G1515-L1517 PolarHBondContact O-N 3.35Å
1516Q56.6Low74.5Confident171 Ų171120.2 Ų120.280%0.79959%0.585SS**  trans-80.194.1157.3-79.4-84.1-600108K1518Q1516-K1518 PolarHBondContact O-N 3.33Å
1517L47.4Very low73.9Confident125 Ų125116.6 Ų116.665%0.65456%0.561SS**  trans-72.9101.4175.5-162.384000109.8A1319 G1515A1319-L1517 HydrophobicContact CB-CD2 3.37Å; G1515-L1517 PolarHBondContact O-N 3.35Å
1518K43.2Very low73.3Confident195 Ų195118.6 Ų118.685%0.84857%0.569SS**  trans-72.1126.6168.2-156.1176.5-177.1-175.30108.3Q1516Q1516-K1518 PolarHBondContact O-N 3.33Å
1519R41.2Very low72Confident307 Ų307119.1 Ų119.1100%1.15857%0.566SS**  trans-700167.5-69.7-173.1-176.8177.71.1110.7

Retrieved 1,519 of 1,519 residues in 1125.6 ms (Link to these results)